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 1gfz_1_A DATA FIRST_RESID 13 DATA SEQUENCE ISVRGLAGVE NVTELKKNFN RHLHFTLVKD RNVATPRDYY FALAHTVRDH DATA SEQUENCE LVGRWIRTQQ HYYEKDPKRI YYLSLEFYMG RTLQNTMVNL ALENACDEAT DATA SEQUENCE YQLGLDMEEL EEIEEDAGLG NGGLGRLAAC FLDSMATLGL AAYGYGIRYE DATA SEQUENCE FGIFNQKICG GWQMEEADDW LRYGNPWEKA RPEFTLPVHF YGRVEHTSQG DATA SEQUENCE AKWVDTQVVL AMPYDTPVPG YRNNVVNTMR LWSAKAPNDF NLKDXXXXGY DATA SEQUENCE IQAVLDRNLA ENISRVLYPN DNFFEGKELR LKQEYFVVAA TLQDIIRRFK DATA SEQUENCE SSKFXXXXXX XTNFDAFPDK VAIQLNDTHP SLAIPELMRV LVDLERLDWD DATA SEQUENCE KAWEVTVKTC AYTNHTVIPE ALERWPVHLL ETLLPRHLQI IYEINQRFLN DATA SEQUENCE RVAAAFPGDV DRLRRMSLVE EGAVKRINMA HLCIAGSHAV NGVARIHSEI DATA SEQUENCE LKKTIFKDFY ELEPHKFQNK TNGITPRRWL VLCNPGLAEI IAERIGEEYI DATA SEQUENCE SDLDQLRKLL SYVDDEAFIR DVAKVKQENK LKFAAYLERE YKVHINPNSL DATA SEQUENCE FDVQVKRIHE YKRQLLNCLH VITLYNRIKK EPNKFVVPRT VMIGGKAAPG DATA SEQUENCE YHMAKMIIKL ITAIGDVVNH DPVVGDRLRV IFLENYRVSL AEKVIPAADL DATA SEQUENCE SEQISTAGTE ASGTGNMKFM LNGALTIGTM DGANVEMAEE AGEENFFIFG DATA SEQUENCE MRVEDVDRLD QRGYNAQEYY DRIPELRQII EQLSSGFFSP KQPDLFKDIV DATA SEQUENCE NMLMHHDRFK VFADYEEYVK CQERVSALYK NPREWTRMVI RNIATSGKFS DATA SEQUENCE SDRTIAQYAR EIWGVEPSRQ RLPAP 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 13 I HA 0.000 nan 4.170 nan 0.000 0.288 13 I C 0.000 176.106 176.117 -0.018 0.000 1.063 13 I CA 0.000 61.280 61.300 -0.034 0.000 1.566 13 I CB 0.000 37.971 38.000 -0.048 0.000 1.214 14 S N -0.462 115.232 115.700 -0.010 0.000 2.616 14 S HA 0.179 4.641 4.470 -0.012 0.000 0.272 14 S C -1.616 172.988 174.600 0.005 0.000 0.994 14 S CA 0.119 58.320 58.200 0.002 0.000 1.002 14 S CB 0.923 64.124 63.200 0.003 0.000 1.269 14 S HN 0.132 nan 8.310 nan 0.000 0.466 15 V N 4.061 123.985 119.914 0.016 0.000 3.021 15 V HA 0.391 4.504 4.120 -0.012 0.000 0.385 15 V C 0.912 177.015 176.094 0.014 0.000 1.303 15 V CA -0.048 62.263 62.300 0.017 0.000 1.471 15 V CB -0.832 31.010 31.823 0.032 0.000 1.419 15 V HN 0.597 nan 8.190 nan 0.000 0.551 16 R N 1.720 122.222 120.500 0.003 0.000 2.363 16 R HA 0.405 4.738 4.340 -0.012 0.000 0.236 16 R C 0.921 177.213 176.300 -0.014 0.000 0.966 16 R CA 0.606 56.705 56.100 -0.002 0.000 1.100 16 R CB 0.062 30.357 30.300 -0.008 0.000 1.125 16 R HN 0.688 nan 8.270 nan 0.000 0.514 17 G N 0.675 109.466 108.800 -0.015 0.000 2.566 17 G HA2 -0.182 3.771 3.960 -0.012 0.000 0.599 17 G HA3 -0.182 3.771 3.960 -0.012 0.000 0.599 17 G C -1.230 173.655 174.900 -0.025 0.000 1.292 17 G CA -1.079 44.004 45.100 -0.028 0.000 0.922 17 G HN 0.005 nan 8.290 nan 0.000 0.514 18 L N 0.555 121.761 121.223 -0.029 0.000 2.334 18 L HA 0.724 5.056 4.340 -0.012 0.000 0.277 18 L C 1.276 178.131 176.870 -0.025 0.000 1.075 18 L CA 0.084 54.910 54.840 -0.023 0.000 0.804 18 L CB 1.172 43.219 42.059 -0.020 0.000 1.174 18 L HN 1.532 nan 8.230 nan 0.000 0.438 19 A N 2.595 125.402 122.820 -0.021 0.000 3.175 19 A HA 0.555 4.868 4.320 -0.012 0.000 0.289 19 A C 0.826 178.403 177.584 -0.011 0.000 1.429 19 A CA -0.293 51.733 52.037 -0.019 0.000 1.155 19 A CB -0.752 18.235 19.000 -0.023 0.000 1.169 19 A HN 0.789 nan 8.150 nan 0.000 0.574 20 G N -0.251 108.544 108.800 -0.009 0.000 2.474 20 G HA2 0.284 4.236 3.960 -0.012 0.000 0.233 20 G HA3 0.284 4.236 3.960 -0.012 0.000 0.233 20 G C 1.028 175.931 174.900 0.005 0.000 1.278 20 G CA 0.085 45.184 45.100 -0.002 0.000 0.861 20 G HN 0.431 nan 8.290 nan 0.000 0.567 21 V N 2.079 121.997 119.914 0.007 0.000 2.261 21 V HA -0.175 3.937 4.120 -0.012 0.000 0.246 21 V C 2.684 178.788 176.094 0.017 0.000 1.047 21 V CA 2.428 64.734 62.300 0.011 0.000 1.015 21 V CB -0.703 31.126 31.823 0.010 0.000 0.642 21 V HN 0.779 nan 8.190 nan 0.000 0.446 22 E N 0.252 120.463 120.200 0.018 0.000 2.106 22 E HA -0.172 4.170 4.350 -0.012 0.000 0.192 22 E C 2.071 178.692 176.600 0.036 0.000 0.984 22 E CA 1.465 57.880 56.400 0.025 0.000 0.806 22 E CB -0.275 29.439 29.700 0.024 0.000 0.750 22 E HN 0.646 nan 8.360 nan 0.000 0.458 23 N N -1.137 117.583 118.700 0.034 0.000 2.270 23 N HA -0.092 4.641 4.740 -0.012 0.000 0.181 23 N C 1.450 176.988 175.510 0.045 0.000 1.016 23 N CA 0.642 53.720 53.050 0.046 0.000 0.870 23 N CB 0.254 38.758 38.487 0.028 0.000 0.979 23 N HN -0.047 nan 8.380 nan 0.000 0.431 24 V N 0.076 120.007 119.914 0.029 0.000 2.427 24 V HA -0.189 3.923 4.120 -0.012 0.000 0.248 24 V C 1.912 178.029 176.094 0.038 0.000 1.051 24 V CA 1.673 63.989 62.300 0.027 0.000 1.048 24 V CB -0.662 31.171 31.823 0.018 0.000 0.666 24 V HN 0.414 nan 8.190 nan 0.000 0.456 25 T N -0.492 114.085 114.554 0.038 0.000 2.777 25 T HA -0.189 4.154 4.350 -0.012 0.000 0.266 25 T C 1.896 176.631 174.700 0.059 0.000 1.040 25 T CA 1.644 63.768 62.100 0.040 0.000 1.141 25 T CB -0.134 68.754 68.868 0.033 0.000 0.868 25 T HN 0.514 nan 8.240 nan 0.000 0.444 26 E N 0.835 121.076 120.200 0.069 0.000 2.077 26 E HA -0.093 4.250 4.350 -0.012 0.000 0.193 26 E C 1.930 178.607 176.600 0.129 0.000 0.989 26 E CA 0.788 57.242 56.400 0.091 0.000 0.800 26 E CB -0.483 29.278 29.700 0.101 0.000 0.746 26 E HN 0.150 nan 8.360 nan 0.000 0.452 27 L N 0.991 122.298 121.223 0.139 0.000 2.012 27 L HA -0.145 4.187 4.340 -0.012 0.000 0.210 27 L C 2.187 179.167 176.870 0.184 0.000 1.073 27 L CA 1.876 56.824 54.840 0.179 0.000 0.748 27 L CB -0.855 41.278 42.059 0.124 0.000 0.891 27 L HN 0.105 nan 8.230 nan 0.000 0.431 28 K N -0.207 120.262 120.400 0.115 0.000 2.063 28 K HA -0.220 4.093 4.320 -0.012 0.000 0.208 28 K C 1.950 178.655 176.600 0.176 0.000 1.048 28 K CA 1.877 58.226 56.287 0.102 0.000 0.928 28 K CB -0.080 32.439 32.500 0.031 0.000 0.713 28 K HN 0.444 nan 8.250 nan 0.000 0.442 29 K N -0.015 120.469 120.400 0.139 0.000 2.155 29 K HA -0.007 4.306 4.320 -0.012 0.000 0.203 29 K C 1.570 178.264 176.600 0.156 0.000 1.052 29 K CA 1.111 57.476 56.287 0.130 0.000 0.948 29 K CB -0.061 32.488 32.500 0.082 0.000 0.728 29 K HN 0.047 nan 8.250 nan 0.000 0.448 30 N N 0.609 119.417 118.700 0.179 0.000 2.300 30 N HA -0.084 4.649 4.740 -0.012 0.000 0.179 30 N C 1.566 177.247 175.510 0.285 0.000 1.016 30 N CA 0.814 53.969 53.050 0.174 0.000 0.876 30 N CB -0.153 38.450 38.487 0.194 0.000 0.979 30 N HN 0.170 nan 8.380 nan 0.000 0.432 31 F N 2.752 122.813 119.950 0.184 0.000 2.102 31 F HA -0.095 4.425 4.527 -0.012 0.000 0.298 31 F C 1.997 177.913 175.800 0.194 0.000 1.105 31 F CA 1.321 59.443 58.000 0.203 0.000 1.239 31 F CB -0.190 38.897 39.000 0.145 0.000 0.991 31 F HN -0.042 nan 8.300 nan 0.000 0.474 32 N N 0.355 119.288 118.700 0.387 0.000 2.188 32 N HA -0.143 4.590 4.740 -0.012 0.000 0.184 32 N C 2.101 177.703 175.510 0.154 0.000 1.018 32 N CA 0.727 53.927 53.050 0.250 0.000 0.858 32 N CB -0.471 38.146 38.487 0.216 0.000 0.989 32 N HN 0.328 nan 8.380 nan 0.000 0.426 33 R N 0.592 121.181 120.500 0.149 0.000 2.080 33 R HA -0.113 4.219 4.340 -0.012 0.000 0.236 33 R C 1.797 178.187 176.300 0.150 0.000 1.137 33 R CA 1.528 57.736 56.100 0.179 0.000 0.943 33 R CB -0.452 29.848 30.300 -0.000 0.000 0.846 33 R HN 0.438 nan 8.270 nan 0.000 0.431 34 H N -0.211 118.910 119.070 0.085 0.000 2.387 34 H HA -0.145 4.404 4.556 -0.013 0.000 0.299 34 H C 1.872 177.144 175.328 -0.093 0.000 1.090 34 H CA 1.495 57.525 56.048 -0.030 0.000 1.332 34 H CB -0.026 29.680 29.762 -0.093 0.000 1.386 34 H HN 0.093 nan 8.280 nan 0.000 0.516 35 L N -0.082 121.137 121.223 -0.008 0.000 2.083 35 L HA -0.188 4.144 4.340 -0.012 0.000 0.209 35 L C 2.141 178.996 176.870 -0.024 0.000 1.083 35 L CA 1.856 56.655 54.840 -0.068 0.000 0.752 35 L CB -0.412 41.605 42.059 -0.070 0.000 0.899 35 L HN 0.293 nan 8.230 nan 0.000 0.433 36 H N -1.736 117.260 119.070 -0.124 0.000 2.287 36 H HA -0.013 4.535 4.556 -0.013 0.000 0.309 36 H C 1.787 176.904 175.328 -0.352 0.000 1.059 36 H CA 2.132 58.008 56.048 -0.286 0.000 1.357 36 H CB -0.291 29.208 29.762 -0.437 0.000 1.409 36 H HN 0.279 nan 8.280 nan 0.000 0.515 37 F N -0.354 119.583 119.950 -0.022 0.000 2.293 37 F HA -0.030 4.490 4.527 -0.013 0.000 0.297 37 F C 2.493 178.215 175.800 -0.131 0.000 1.089 37 F CA 1.413 59.349 58.000 -0.107 0.000 1.377 37 F CB -0.291 38.673 39.000 -0.061 0.000 1.051 37 F HN 0.188 nan 8.300 nan 0.000 0.511 38 T N -0.591 113.989 114.554 0.043 0.000 2.983 38 T HA 0.042 4.385 4.350 -0.012 0.000 0.250 38 T C 1.680 176.287 174.700 -0.154 0.000 1.037 38 T CA 0.618 62.673 62.100 -0.074 0.000 1.142 38 T CB -0.120 68.674 68.868 -0.123 0.000 0.876 38 T HN -0.049 nan 8.240 nan 0.000 0.455 39 L N 0.996 122.132 121.223 -0.145 0.000 2.477 39 L HA 0.291 4.623 4.340 -0.012 0.000 0.220 39 L C 0.618 177.395 176.870 -0.155 0.000 1.106 39 L CA 0.347 55.092 54.840 -0.158 0.000 0.851 39 L CB -0.561 41.417 42.059 -0.135 0.000 0.994 39 L HN 0.035 nan 8.230 nan 0.000 0.462 40 V N 0.393 120.198 119.914 -0.183 0.000 6.016 40 V HA -0.286 3.827 4.120 -0.012 0.000 0.265 40 V C 0.380 176.363 176.094 -0.185 0.000 0.621 40 V CA 0.781 62.941 62.300 -0.233 0.000 0.592 40 V CB -2.045 29.666 31.823 -0.186 0.000 0.298 40 V HN 0.387 nan 8.190 nan 0.000 0.615 41 K N 1.466 121.768 120.400 -0.163 0.000 2.466 41 K HA 0.674 4.986 4.320 -0.012 0.000 0.260 41 K C -0.708 175.864 176.600 -0.046 0.000 1.011 41 K CA -0.574 55.652 56.287 -0.102 0.000 0.871 41 K CB 2.843 35.282 32.500 -0.101 0.000 1.404 41 K HN 0.623 nan 8.250 nan 0.000 0.450 42 D N 0.512 120.904 120.400 -0.013 0.000 2.619 42 D HA 0.271 4.904 4.640 -0.012 0.000 0.241 42 D C 0.577 176.908 176.300 0.051 0.000 1.087 42 D CA -0.581 53.444 54.000 0.042 0.000 0.851 42 D CB 1.579 42.402 40.800 0.037 0.000 1.474 42 D HN 0.182 nan 8.370 nan 0.000 0.478 43 R N 1.358 121.918 120.500 0.100 0.000 2.228 43 R HA -0.182 4.151 4.340 -0.012 0.000 0.264 43 R C 1.136 177.507 176.300 0.118 0.000 1.179 43 R CA 1.134 57.327 56.100 0.156 0.000 0.998 43 R CB -0.785 29.611 30.300 0.159 0.000 0.885 43 R HN 0.614 nan 8.270 nan 0.000 0.466 44 N N 0.520 119.261 118.700 0.069 0.000 2.512 44 N HA -0.071 4.662 4.740 -0.012 0.000 0.183 44 N C 1.257 176.787 175.510 0.034 0.000 1.073 44 N CA 1.352 54.433 53.050 0.051 0.000 0.911 44 N CB 0.401 38.908 38.487 0.035 0.000 0.964 44 N HN 0.218 nan 8.380 nan 0.000 0.447 45 V N -3.298 116.625 119.914 0.015 0.000 3.382 45 V HA 0.463 4.576 4.120 -0.012 0.000 0.296 45 V C 0.607 176.672 176.094 -0.048 0.000 1.529 45 V CA -0.657 61.638 62.300 -0.008 0.000 1.048 45 V CB -0.107 31.706 31.823 -0.017 0.000 0.878 45 V HN 0.015 nan 8.190 nan 0.000 0.442 46 A N 2.111 124.882 122.820 -0.083 0.000 2.450 46 A HA 0.621 4.934 4.320 -0.012 0.000 0.255 46 A C 0.706 178.110 177.584 -0.299 0.000 1.096 46 A CA 0.810 52.682 52.037 -0.276 0.000 0.778 46 A CB 0.016 18.735 19.000 -0.469 0.000 1.031 46 A HN 0.776 nan 8.150 nan 0.000 0.494 47 T N 0.162 114.543 114.554 -0.289 0.000 2.948 47 T HA 0.592 4.935 4.350 -0.012 0.000 0.285 47 T C -2.130 172.493 174.700 -0.129 0.000 1.019 47 T CA -1.839 60.188 62.100 -0.122 0.000 1.013 47 T CB 1.323 70.172 68.868 -0.031 0.000 1.117 47 T HN 0.231 nan 8.240 nan 0.000 0.533 48 P HA -0.102 nan 4.420 nan 0.000 0.217 48 P C 1.566 178.980 177.300 0.191 0.000 1.148 48 P CA 0.995 64.247 63.100 0.253 0.000 0.828 48 P CB 0.038 31.845 31.700 0.180 0.000 0.783 49 R N -0.045 120.514 120.500 0.099 0.000 2.096 49 R HA -0.135 4.197 4.340 -0.012 0.000 0.235 49 R C 1.679 178.142 176.300 0.272 0.000 1.127 49 R CA 1.748 57.935 56.100 0.145 0.000 0.968 49 R CB -0.670 29.664 30.300 0.057 0.000 0.861 49 R HN 0.081 nan 8.270 nan 0.000 0.440 50 D N -0.324 120.131 120.400 0.092 0.000 2.117 50 D HA -0.181 4.451 4.640 -0.012 0.000 0.197 50 D C 1.723 178.045 176.300 0.036 0.000 0.987 50 D CA 1.286 55.300 54.000 0.023 0.000 0.829 50 D CB -0.337 40.327 40.800 -0.227 0.000 0.961 50 D HN 0.288 nan 8.370 nan 0.000 0.460 51 Y N 0.112 120.516 120.300 0.173 0.000 2.224 51 Y HA -0.213 4.330 4.550 -0.012 0.000 0.289 51 Y C 2.321 178.347 175.900 0.209 0.000 1.146 51 Y CA 0.377 58.616 58.100 0.232 0.000 1.182 51 Y CB -1.094 37.567 38.460 0.335 0.000 0.983 51 Y HN 0.113 nan 8.280 nan 0.000 0.524 52 Y N -0.727 119.706 120.300 0.222 0.000 2.181 52 Y HA -0.243 4.300 4.550 -0.013 0.000 0.288 52 Y C 1.884 177.748 175.900 -0.059 0.000 1.146 52 Y CA 1.141 59.269 58.100 0.047 0.000 1.164 52 Y CB -1.035 37.345 38.460 -0.133 0.000 0.982 52 Y HN 0.011 nan 8.280 nan 0.000 0.515 53 F N 0.346 120.073 119.950 -0.371 0.000 2.186 53 F HA -0.056 4.463 4.527 -0.012 0.000 0.299 53 F C 2.642 178.273 175.800 -0.280 0.000 1.090 53 F CA 1.321 59.052 58.000 -0.448 0.000 1.307 53 F CB -1.083 37.839 39.000 -0.130 0.000 1.019 53 F HN 0.193 nan 8.300 nan 0.000 0.489 54 A N -0.261 122.502 122.820 -0.095 0.000 1.902 54 A HA -0.164 4.148 4.320 -0.012 0.000 0.217 54 A C 2.116 179.571 177.584 -0.214 0.000 1.181 54 A CA 1.588 53.448 52.037 -0.295 0.000 0.623 54 A CB -1.063 17.427 19.000 -0.850 0.000 0.818 54 A HN 0.331 nan 8.150 nan 0.000 0.443 55 L N -0.212 120.986 121.223 -0.040 0.000 2.027 55 L HA -0.013 4.320 4.340 -0.012 0.000 0.206 55 L C 2.701 179.550 176.870 -0.034 0.000 1.074 55 L CA 2.215 57.163 54.840 0.181 0.000 0.745 55 L CB -0.981 41.257 42.059 0.299 0.000 0.898 55 L HN 0.342 nan 8.230 nan 0.000 0.433 56 A N -1.215 121.409 122.820 -0.326 0.000 1.917 56 A HA -0.313 4.000 4.320 -0.012 0.000 0.219 56 A C 2.166 179.404 177.584 -0.577 0.000 1.182 56 A CA 2.192 53.926 52.037 -0.506 0.000 0.633 56 A CB -1.162 17.209 19.000 -1.048 0.000 0.819 56 A HN 0.703 nan 8.150 nan 0.000 0.448 57 H N -1.002 117.762 119.070 -0.510 0.000 2.389 57 H HA -0.044 4.504 4.556 -0.012 0.000 0.299 57 H C 2.332 177.370 175.328 -0.484 0.000 1.081 57 H CA 1.917 57.584 56.048 -0.635 0.000 1.345 57 H CB -0.060 29.094 29.762 -1.013 0.000 1.393 57 H HN 0.483 nan 8.280 nan 0.000 0.520 58 T N -0.437 114.044 114.554 -0.122 0.000 2.777 58 T HA -0.115 4.228 4.350 -0.012 0.000 0.266 58 T C 2.221 177.085 174.700 0.273 0.000 1.040 58 T CA 1.243 63.460 62.100 0.195 0.000 1.141 58 T CB -0.316 68.740 68.868 0.313 0.000 0.868 58 T HN 0.097 nan 8.240 nan 0.000 0.444 59 V N 1.638 121.681 119.914 0.215 0.000 2.453 59 V HA -0.085 4.028 4.120 -0.012 0.000 0.247 59 V C 2.621 178.903 176.094 0.313 0.000 1.048 59 V CA 1.414 63.888 62.300 0.290 0.000 1.049 59 V CB -0.614 31.376 31.823 0.278 0.000 0.672 59 V HN 0.374 nan 8.190 nan 0.000 0.457 60 R N 0.200 120.830 120.500 0.217 0.000 2.120 60 R HA -0.205 4.127 4.340 -0.012 0.000 0.234 60 R C 1.884 178.293 176.300 0.182 0.000 1.123 60 R CA 1.876 58.109 56.100 0.221 0.000 0.975 60 R CB -0.390 29.881 30.300 -0.049 0.000 0.866 60 R HN 0.453 nan 8.270 nan 0.000 0.446 61 D N 0.072 120.562 120.400 0.150 0.000 2.123 61 D HA -0.170 4.463 4.640 -0.012 0.000 0.196 61 D C 1.736 178.055 176.300 0.032 0.000 0.992 61 D CA 1.153 55.209 54.000 0.094 0.000 0.833 61 D CB -0.390 40.451 40.800 0.068 0.000 0.954 61 D HN 0.442 nan 8.370 nan 0.000 0.455 62 H N -0.169 118.969 119.070 0.113 0.000 2.489 62 H HA -0.025 4.524 4.556 -0.012 0.000 0.293 62 H C 1.995 177.368 175.328 0.075 0.000 1.066 62 H CA 0.733 56.831 56.048 0.084 0.000 1.305 62 H CB 0.282 30.085 29.762 0.068 0.000 1.386 62 H HN 0.281 nan 8.280 nan 0.000 0.551 63 L N -1.273 120.061 121.223 0.185 0.000 2.693 63 L HA 0.156 4.489 4.340 -0.012 0.000 0.235 63 L C 2.061 179.046 176.870 0.191 0.000 1.127 63 L CA 0.037 54.955 54.840 0.131 0.000 0.914 63 L CB -0.143 41.944 42.059 0.047 0.000 1.193 63 L HN -0.113 nan 8.230 nan 0.000 0.502 64 V N -1.716 118.334 119.914 0.226 0.000 2.358 64 V HA 0.026 4.138 4.120 -0.012 0.000 0.246 64 V C 2.549 178.770 176.094 0.212 0.000 1.047 64 V CA 1.670 64.156 62.300 0.310 0.000 1.035 64 V CB -1.800 30.160 31.823 0.228 0.000 0.658 64 V HN 0.363 nan 8.190 nan 0.000 0.452 65 G N 0.147 109.022 108.800 0.126 0.000 2.446 65 G HA2 -0.248 3.705 3.960 -0.012 0.000 0.217 65 G HA3 -0.248 3.705 3.960 -0.012 0.000 0.217 65 G C 1.809 176.759 174.900 0.084 0.000 1.168 65 G CA 1.050 46.196 45.100 0.077 0.000 0.771 65 G HN 0.500 nan 8.290 nan 0.000 0.551 66 R N -1.480 119.081 120.500 0.101 0.000 2.092 66 R HA -0.057 4.275 4.340 -0.012 0.000 0.231 66 R C 2.259 178.642 176.300 0.139 0.000 1.119 66 R CA 1.012 57.159 56.100 0.078 0.000 0.970 66 R CB -0.352 29.978 30.300 0.050 0.000 0.864 66 R HN 0.479 nan 8.270 nan 0.000 0.440 67 W N 1.457 122.738 121.300 -0.031 0.000 2.338 67 W HA -0.123 4.529 4.660 -0.012 0.000 0.304 67 W C 1.642 178.133 176.519 -0.048 0.000 1.212 67 W CA 1.096 58.419 57.345 -0.038 0.000 1.264 67 W CB -0.564 28.895 29.460 -0.002 0.000 1.142 67 W HN -0.010 nan 8.180 nan 0.000 0.512 68 I N 0.761 121.383 120.570 0.088 0.000 2.315 68 I HA -0.313 3.849 4.170 -0.012 0.000 0.248 68 I C 2.603 178.700 176.117 -0.033 0.000 1.117 68 I CA 1.628 62.895 61.300 -0.055 0.000 1.404 68 I CB -0.447 37.526 38.000 -0.045 0.000 1.071 68 I HN -0.060 nan 8.210 nan 0.000 0.419 69 R N -0.180 120.318 120.500 -0.004 0.000 2.115 69 R HA -0.030 4.303 4.340 -0.012 0.000 0.226 69 R C 2.067 178.334 176.300 -0.055 0.000 1.100 69 R CA 1.549 57.641 56.100 -0.013 0.000 0.980 69 R CB -1.218 29.076 30.300 -0.011 0.000 0.875 69 R HN 0.230 nan 8.270 nan 0.000 0.445 70 T N 1.708 116.199 114.554 -0.104 0.000 2.674 70 T HA -0.122 4.221 4.350 -0.012 0.000 0.265 70 T C 1.884 176.290 174.700 -0.490 0.000 1.039 70 T CA 1.270 63.186 62.100 -0.307 0.000 1.150 70 T CB -0.125 68.600 68.868 -0.238 0.000 0.864 70 T HN 0.186 nan 8.240 nan 0.000 0.427 71 Q N 0.740 120.401 119.800 -0.232 0.000 2.124 71 Q HA -0.086 4.246 4.340 -0.012 0.000 0.202 71 Q C 2.378 178.385 176.000 0.013 0.000 0.977 71 Q CA 1.303 57.044 55.803 -0.103 0.000 0.850 71 Q CB -0.538 28.171 28.738 -0.048 0.000 0.901 71 Q HN 0.482 nan 8.270 nan 0.000 0.429 72 Q N 0.180 119.983 119.800 0.005 0.000 2.079 72 Q HA -0.182 4.150 4.340 -0.012 0.000 0.200 72 Q C 1.897 177.993 176.000 0.161 0.000 0.974 72 Q CA 2.023 57.879 55.803 0.089 0.000 0.840 72 Q CB -0.487 28.281 28.738 0.049 0.000 0.898 72 Q HN 0.562 nan 8.270 nan 0.000 0.430 73 H N -0.847 118.213 119.070 -0.017 0.000 2.289 73 H HA -0.193 4.356 4.556 -0.012 0.000 0.296 73 H C 1.254 176.672 175.328 0.152 0.000 1.091 73 H CA 2.412 58.469 56.048 0.014 0.000 1.274 73 H CB -0.381 29.328 29.762 -0.089 0.000 1.364 73 H HN 0.354 nan 8.280 nan 0.000 0.490 74 Y N -0.980 119.397 120.300 0.129 0.000 2.315 74 Y HA -0.208 4.334 4.550 -0.013 0.000 0.288 74 Y C 2.392 178.331 175.900 0.065 0.000 1.154 74 Y CA 1.042 59.185 58.100 0.071 0.000 1.229 74 Y CB -1.278 37.272 38.460 0.150 0.000 0.980 74 Y HN 0.423 nan 8.280 nan 0.000 0.540 75 Y N 0.961 121.353 120.300 0.153 0.000 2.263 75 Y HA -0.096 4.447 4.550 -0.013 0.000 0.292 75 Y C 1.997 177.914 175.900 0.029 0.000 1.130 75 Y CA 1.310 59.463 58.100 0.089 0.000 1.179 75 Y CB 0.001 38.500 38.460 0.065 0.000 0.998 75 Y HN 0.022 nan 8.280 nan 0.000 0.532 76 E N 0.314 120.452 120.200 -0.103 0.000 2.008 76 E HA -0.132 4.211 4.350 -0.012 0.000 0.191 76 E C 1.987 178.458 176.600 -0.216 0.000 0.986 76 E CA 0.969 57.252 56.400 -0.195 0.000 0.807 76 E CB -0.197 29.456 29.700 -0.079 0.000 0.766 76 E HN 0.301 nan 8.360 nan 0.000 0.450 77 K N 0.878 121.138 120.400 -0.234 0.000 2.097 77 K HA -0.120 4.192 4.320 -0.012 0.000 0.206 77 K C 0.271 176.801 176.600 -0.117 0.000 1.049 77 K CA 0.816 56.985 56.287 -0.196 0.000 0.933 77 K CB -0.569 31.756 32.500 -0.292 0.000 0.717 77 K HN 0.136 nan 8.250 nan 0.000 0.442 78 D N 0.105 120.454 120.400 -0.085 0.000 2.848 78 D HA -0.097 4.536 4.640 -0.012 0.000 0.245 78 D C -2.403 173.891 176.300 -0.010 0.000 1.122 78 D CA 0.108 54.087 54.000 -0.036 0.000 0.769 78 D CB -0.267 40.493 40.800 -0.067 0.000 1.025 78 D HN 0.164 nan 8.370 nan 0.000 0.423 79 P HA 0.196 nan 4.420 nan 0.000 0.284 79 P C -0.244 177.031 177.300 -0.043 0.000 1.292 79 P CA -0.735 62.343 63.100 -0.037 0.000 0.800 79 P CB 0.616 32.275 31.700 -0.068 0.000 1.188 80 K N 0.777 121.151 120.400 -0.044 0.000 2.412 80 K HA 0.082 4.394 4.320 -0.012 0.000 0.281 80 K C -0.168 176.354 176.600 -0.130 0.000 1.027 80 K CA -0.031 56.221 56.287 -0.057 0.000 0.989 80 K CB 0.216 32.695 32.500 -0.035 0.000 0.935 80 K HN 0.228 nan 8.250 nan 0.000 0.475 81 R N 3.841 124.250 120.500 -0.153 0.000 2.346 81 R HA 0.352 4.685 4.340 -0.012 0.000 0.311 81 R C -0.591 175.447 176.300 -0.437 0.000 0.983 81 R CA -0.469 55.467 56.100 -0.273 0.000 0.880 81 R CB 0.887 31.044 30.300 -0.240 0.000 1.100 81 R HN 0.519 nan 8.270 nan 0.000 0.453 82 I N 4.562 124.827 120.570 -0.508 0.000 2.321 82 I HA 0.222 4.385 4.170 -0.012 0.000 0.291 82 I C -0.636 175.193 176.117 -0.481 0.000 0.998 82 I CA -0.676 60.271 61.300 -0.589 0.000 1.227 82 I CB 0.821 38.354 38.000 -0.778 0.000 1.368 82 I HN 0.529 nan 8.210 nan 0.000 0.466 83 Y N 5.766 126.027 120.300 -0.065 0.000 2.356 83 Y HA 0.281 4.824 4.550 -0.012 0.000 0.334 83 Y C -0.279 175.713 175.900 0.153 0.000 0.958 83 Y CA -0.724 57.459 58.100 0.139 0.000 1.196 83 Y CB 1.203 39.693 38.460 0.050 0.000 1.137 83 Y HN 0.402 nan 8.280 nan 0.000 0.485 84 Y N 4.679 125.164 120.300 0.308 0.000 2.594 84 Y HA 0.460 5.002 4.550 -0.012 0.000 0.342 84 Y C -1.148 175.021 175.900 0.448 0.000 1.010 84 Y CA -0.942 57.349 58.100 0.318 0.000 1.270 84 Y CB 0.174 38.825 38.460 0.319 0.000 1.125 84 Y HN 0.519 nan 8.280 nan 0.000 0.513 85 L N 4.750 126.045 121.223 0.120 0.000 2.290 85 L HA 0.466 4.798 4.340 -0.012 0.000 0.284 85 L C -0.119 176.774 176.870 0.039 0.000 1.078 85 L CA 0.226 55.179 54.840 0.188 0.000 0.815 85 L CB 1.260 43.388 42.059 0.115 0.000 1.162 85 L HN 0.583 nan 8.230 nan 0.000 0.435 86 S N 2.630 118.432 115.700 0.170 0.000 2.535 86 S HA 0.438 4.901 4.470 -0.012 0.000 0.272 86 S C 0.078 174.753 174.600 0.124 0.000 1.149 86 S CA -0.565 57.632 58.200 -0.004 0.000 0.888 86 S CB 0.874 63.867 63.200 -0.344 0.000 1.110 86 S HN 0.446 nan 8.310 nan 0.000 0.463 87 L N 2.868 124.209 121.223 0.197 0.000 2.599 87 L HA 0.464 4.796 4.340 -0.012 0.000 0.230 87 L C 0.424 177.476 176.870 0.304 0.000 1.141 87 L CA 1.035 56.056 54.840 0.300 0.000 0.877 87 L CB -0.137 42.114 42.059 0.321 0.000 1.009 87 L HN 0.670 nan 8.230 nan 0.000 0.447 88 E N -1.489 118.758 120.200 0.079 0.000 2.314 88 E HA 0.421 4.764 4.350 -0.012 0.000 0.272 88 E C -1.423 175.043 176.600 -0.224 0.000 0.884 88 E CA -0.506 55.928 56.400 0.057 0.000 0.753 88 E CB 1.968 31.686 29.700 0.029 0.000 1.213 88 E HN -0.194 nan 8.360 nan 0.000 0.432 89 F N 2.034 122.085 119.950 0.168 0.000 3.090 89 F HA 0.158 4.677 4.527 -0.013 0.000 0.381 89 F C -0.945 174.938 175.800 0.137 0.000 1.231 89 F CA -0.666 57.426 58.000 0.153 0.000 1.177 89 F CB 0.813 39.896 39.000 0.139 0.000 1.598 89 F HN 0.481 nan 8.300 nan 0.000 0.589 90 Y N 5.020 125.397 120.300 0.128 0.000 2.570 90 Y HA 0.163 4.706 4.550 -0.012 0.000 0.336 90 Y C 1.173 177.095 175.900 0.037 0.000 1.284 90 Y CA -0.763 57.364 58.100 0.044 0.000 1.761 90 Y CB 0.240 38.711 38.460 0.018 0.000 1.724 90 Y HN 0.503 nan 8.280 nan 0.000 0.455 91 M N 1.142 120.877 119.600 0.225 0.000 2.236 91 M HA 0.103 4.575 4.480 -0.012 0.000 0.266 91 M C 1.544 177.821 176.300 -0.039 0.000 1.070 91 M CA 1.114 56.451 55.300 0.063 0.000 1.137 91 M CB -1.247 31.366 32.600 0.021 0.000 1.378 91 M HN 0.634 nan 8.290 nan 0.000 0.426 92 G N 1.117 109.906 108.800 -0.019 0.000 2.645 92 G HA2 -0.265 3.687 3.960 -0.012 0.000 0.239 92 G HA3 -0.265 3.687 3.960 -0.012 0.000 0.239 92 G C -0.469 174.383 174.900 -0.080 0.000 1.331 92 G CA -0.362 44.685 45.100 -0.087 0.000 0.890 92 G HN 0.460 nan 8.290 nan 0.000 0.572 93 R N -0.631 119.807 120.500 -0.102 0.000 2.641 93 R HA 0.522 4.854 4.340 -0.012 0.000 0.269 93 R C 1.567 177.757 176.300 -0.184 0.000 1.074 93 R CA 0.551 56.601 56.100 -0.084 0.000 1.133 93 R CB 0.641 30.895 30.300 -0.077 0.000 1.029 93 R HN 0.911 nan 8.270 nan 0.000 0.488 94 T N -0.032 114.365 114.554 -0.261 0.000 3.058 94 T HA 0.047 4.389 4.350 -0.012 0.000 0.278 94 T C 1.121 175.439 174.700 -0.637 0.000 0.974 94 T CA -0.284 61.486 62.100 -0.549 0.000 0.893 94 T CB 0.193 68.525 68.868 -0.894 0.000 1.138 94 T HN 0.341 nan 8.240 nan 0.000 0.529 95 L N 1.821 122.905 121.223 -0.232 0.000 1.988 95 L HA 0.179 4.512 4.340 -0.012 0.000 0.207 95 L C 2.595 179.428 176.870 -0.061 0.000 1.071 95 L CA 2.229 57.074 54.840 0.009 0.000 0.744 95 L CB -0.943 41.333 42.059 0.361 0.000 0.893 95 L HN 0.386 nan 8.230 nan 0.000 0.433 96 Q N -0.621 119.148 119.800 -0.052 0.000 2.084 96 Q HA -0.266 4.066 4.340 -0.012 0.000 0.202 96 Q C 2.213 178.145 176.000 -0.114 0.000 0.978 96 Q CA 1.954 57.719 55.803 -0.063 0.000 0.844 96 Q CB -0.364 28.335 28.738 -0.065 0.000 0.898 96 Q HN 0.703 nan 8.270 nan 0.000 0.426 97 N N -0.986 117.608 118.700 -0.178 0.000 2.149 97 N HA -0.143 4.590 4.740 -0.012 0.000 0.188 97 N C 1.288 176.693 175.510 -0.175 0.000 1.019 97 N CA 1.758 54.693 53.050 -0.192 0.000 0.857 97 N CB 0.061 38.399 38.487 -0.248 0.000 0.997 97 N HN 0.230 nan 8.380 nan 0.000 0.426 98 T N 1.018 115.436 114.554 -0.226 0.000 2.857 98 T HA 0.004 4.346 4.350 -0.012 0.000 0.266 98 T C 2.055 176.693 174.700 -0.103 0.000 1.048 98 T CA 0.814 62.796 62.100 -0.197 0.000 1.139 98 T CB -0.001 68.701 68.868 -0.278 0.000 0.874 98 T HN 0.246 nan 8.240 nan 0.000 0.455 99 M N 0.521 120.077 119.600 -0.074 0.000 2.117 99 M HA -0.082 4.390 4.480 -0.012 0.000 0.262 99 M C 2.445 178.712 176.300 -0.055 0.000 1.065 99 M CA 1.242 56.512 55.300 -0.049 0.000 1.114 99 M CB -0.537 32.049 32.600 -0.023 0.000 1.361 99 M HN 0.093 nan 8.290 nan 0.000 0.408 100 V N 0.933 120.820 119.914 -0.044 0.000 2.261 100 V HA -0.279 3.833 4.120 -0.012 0.000 0.246 100 V C 1.776 177.877 176.094 0.013 0.000 1.047 100 V CA 1.932 64.230 62.300 -0.002 0.000 1.015 100 V CB -0.844 30.982 31.823 0.005 0.000 0.642 100 V HN 0.472 nan 8.190 nan 0.000 0.446 101 N N -0.334 118.363 118.700 -0.005 0.000 2.453 101 N HA -0.055 4.677 4.740 -0.012 0.000 0.183 101 N C 1.053 176.466 175.510 -0.162 0.000 1.041 101 N CA 0.732 53.758 53.050 -0.041 0.000 0.900 101 N CB -0.080 38.395 38.487 -0.020 0.000 0.961 101 N HN 0.278 nan 8.380 nan 0.000 0.443 102 L N -0.388 120.760 121.223 -0.124 0.000 2.693 102 L HA 0.407 4.739 4.340 -0.012 0.000 0.235 102 L C 0.518 177.309 176.870 -0.132 0.000 1.127 102 L CA -0.246 54.520 54.840 -0.123 0.000 0.914 102 L CB -0.755 41.254 42.059 -0.082 0.000 1.193 102 L HN 0.086 nan 8.230 nan 0.000 0.502 103 A N -0.431 122.310 122.820 -0.132 0.000 2.846 103 A HA -0.216 4.097 4.320 -0.012 0.000 0.287 103 A C 1.045 178.573 177.584 -0.092 0.000 1.469 103 A CA 0.957 52.929 52.037 -0.109 0.000 0.757 103 A CB -1.922 17.000 19.000 -0.129 0.000 1.033 103 A HN 0.221 nan 8.150 nan 0.000 0.516 104 L N -0.994 120.175 121.223 -0.090 0.000 2.701 104 L HA 0.259 4.592 4.340 -0.012 0.000 0.238 104 L C 1.831 178.665 176.870 -0.061 0.000 1.106 104 L CA 1.568 56.348 54.840 -0.100 0.000 0.898 104 L CB -0.257 41.717 42.059 -0.141 0.000 1.188 104 L HN 0.621 nan 8.230 nan 0.000 0.508 105 E N -0.032 120.143 120.200 -0.042 0.000 2.065 105 E HA -0.277 4.066 4.350 -0.012 0.000 0.201 105 E C 1.655 178.242 176.600 -0.021 0.000 1.016 105 E CA 1.858 58.244 56.400 -0.024 0.000 0.818 105 E CB 0.211 29.900 29.700 -0.018 0.000 0.749 105 E HN 0.379 nan 8.360 nan 0.000 0.453 106 N N -0.340 118.345 118.700 -0.026 0.000 2.171 106 N HA -0.078 4.655 4.740 -0.012 0.000 0.184 106 N C 1.494 176.988 175.510 -0.026 0.000 1.021 106 N CA 1.214 54.248 53.050 -0.027 0.000 0.854 106 N CB -0.412 38.057 38.487 -0.029 0.000 0.994 106 N HN 0.256 nan 8.380 nan 0.000 0.426 107 A N 0.295 123.097 122.820 -0.030 0.000 1.883 107 A HA -0.157 4.155 4.320 -0.012 0.000 0.217 107 A C 2.635 180.211 177.584 -0.014 0.000 1.186 107 A CA 1.405 53.427 52.037 -0.025 0.000 0.624 107 A CB -1.053 17.924 19.000 -0.039 0.000 0.822 107 A HN 0.441 nan 8.150 nan 0.000 0.444 108 C N -0.907 118.385 119.300 -0.014 0.000 2.440 108 C HA -0.063 4.390 4.460 -0.012 0.000 0.278 108 C C 2.478 177.473 174.990 0.007 0.000 1.295 108 C CA 1.069 60.090 59.018 0.006 0.000 1.738 108 C CB -1.076 26.677 27.740 0.022 0.000 1.987 108 C HN 0.669 nan 8.230 nan 0.000 0.492 109 D N 0.617 121.020 120.400 0.005 0.000 2.117 109 D HA -0.133 4.500 4.640 -0.012 0.000 0.197 109 D C 2.125 178.440 176.300 0.025 0.000 0.987 109 D CA 1.468 55.475 54.000 0.010 0.000 0.829 109 D CB -0.228 40.566 40.800 -0.010 0.000 0.961 109 D HN 0.467 nan 8.370 nan 0.000 0.460 110 E N 0.551 120.755 120.200 0.006 0.000 2.017 110 E HA -0.080 4.262 4.350 -0.012 0.000 0.193 110 E C 1.937 178.578 176.600 0.069 0.000 0.997 110 E CA 1.800 58.217 56.400 0.028 0.000 0.804 110 E CB -0.703 28.997 29.700 -0.000 0.000 0.757 110 E HN 0.171 nan 8.360 nan 0.000 0.448 111 A N -0.055 122.775 122.820 0.015 0.000 1.884 111 A HA -0.280 4.032 4.320 -0.012 0.000 0.219 111 A C 2.536 180.060 177.584 -0.100 0.000 1.197 111 A CA 3.475 55.496 52.037 -0.026 0.000 0.637 111 A CB -1.732 17.253 19.000 -0.026 0.000 0.827 111 A HN 0.561 nan 8.150 nan 0.000 0.450 112 T N -3.680 110.806 114.554 -0.115 0.000 2.833 112 T HA -0.238 4.104 4.350 -0.012 0.000 0.269 112 T C 1.818 176.438 174.700 -0.134 0.000 1.054 112 T CA 1.627 63.599 62.100 -0.215 0.000 1.135 112 T CB -0.588 68.199 68.868 -0.135 0.000 0.869 112 T HN 0.520 nan 8.240 nan 0.000 0.466 113 Y N 2.058 122.280 120.300 -0.130 0.000 2.145 113 Y HA -0.072 4.471 4.550 -0.012 0.000 0.286 113 Y C 2.672 178.510 175.900 -0.104 0.000 1.145 113 Y CA 1.560 59.601 58.100 -0.098 0.000 1.148 113 Y CB -0.486 37.936 38.460 -0.064 0.000 0.981 113 Y HN 0.230 nan 8.280 nan 0.000 0.507 114 Q N -0.799 118.968 119.800 -0.056 0.000 2.226 114 Q HA -0.132 4.200 4.340 -0.012 0.000 0.204 114 Q C 1.514 177.392 176.000 -0.204 0.000 0.975 114 Q CA 0.895 56.620 55.803 -0.130 0.000 0.866 114 Q CB -0.069 28.661 28.738 -0.013 0.000 0.915 114 Q HN 0.359 nan 8.270 nan 0.000 0.440 115 L N -0.842 120.235 121.223 -0.242 0.000 2.599 115 L HA 0.121 4.453 4.340 -0.012 0.000 0.230 115 L C 1.167 177.862 176.870 -0.291 0.000 1.141 115 L CA 1.276 55.950 54.840 -0.278 0.000 0.877 115 L CB -0.483 41.308 42.059 -0.447 0.000 1.009 115 L HN 0.337 nan 8.230 nan 0.000 0.447 116 G N -0.308 108.301 108.800 -0.319 0.000 2.137 116 G HA2 -0.252 3.700 3.960 -0.012 0.000 0.237 116 G HA3 -0.252 3.700 3.960 -0.012 0.000 0.237 116 G C 0.106 174.851 174.900 -0.260 0.000 1.002 116 G CA 0.375 45.290 45.100 -0.307 0.000 0.702 116 G HN 0.311 nan 8.290 nan 0.000 0.515 117 L N -0.319 120.751 121.223 -0.255 0.000 2.333 117 L HA 0.659 4.992 4.340 -0.012 0.000 0.269 117 L C -0.436 176.392 176.870 -0.070 0.000 1.010 117 L CA -1.224 53.505 54.840 -0.186 0.000 0.818 117 L CB 1.767 43.663 42.059 -0.272 0.000 1.306 117 L HN 0.057 nan 8.230 nan 0.000 0.430 118 D N 1.671 122.064 120.400 -0.012 0.000 2.396 118 D HA 0.182 4.814 4.640 -0.012 0.000 0.225 118 D C 0.645 176.976 176.300 0.052 0.000 1.121 118 D CA -0.300 53.724 54.000 0.040 0.000 0.853 118 D CB 1.507 42.336 40.800 0.047 0.000 1.043 118 D HN 0.531 nan 8.370 nan 0.000 0.500 119 M N 3.300 122.934 119.600 0.056 0.000 2.082 119 M HA -0.195 4.277 4.480 -0.012 0.000 0.258 119 M C 1.463 177.808 176.300 0.075 0.000 1.069 119 M CA 1.709 57.051 55.300 0.070 0.000 1.102 119 M CB 0.119 32.753 32.600 0.058 0.000 1.336 119 M HN 0.432 nan 8.290 nan 0.000 0.404 120 E N -0.374 119.862 120.200 0.059 0.000 2.118 120 E HA -0.275 4.068 4.350 -0.012 0.000 0.195 120 E C 1.900 178.534 176.600 0.057 0.000 0.992 120 E CA 1.565 57.997 56.400 0.053 0.000 0.804 120 E CB -0.204 29.524 29.700 0.048 0.000 0.741 120 E HN 0.652 nan 8.360 nan 0.000 0.458 121 E N 0.206 120.444 120.200 0.062 0.000 2.150 121 E HA -0.184 4.158 4.350 -0.012 0.000 0.193 121 E C 1.779 178.420 176.600 0.068 0.000 0.985 121 E CA 0.503 56.940 56.400 0.061 0.000 0.814 121 E CB 0.219 29.956 29.700 0.062 0.000 0.752 121 E HN 0.088 nan 8.360 nan 0.000 0.466 122 L N 1.008 122.292 121.223 0.101 0.000 2.179 122 L HA -0.034 4.299 4.340 -0.012 0.000 0.208 122 L C 1.988 178.911 176.870 0.090 0.000 1.096 122 L CA 1.442 56.372 54.840 0.150 0.000 0.779 122 L CB -0.431 41.773 42.059 0.242 0.000 0.922 122 L HN 0.078 nan 8.230 nan 0.000 0.443 123 E N -0.561 119.686 120.200 0.077 0.000 2.204 123 E HA -0.187 4.155 4.350 -0.012 0.000 0.195 123 E C 1.698 178.253 176.600 -0.074 0.000 0.990 123 E CA 0.676 57.092 56.400 0.028 0.000 0.821 123 E CB 0.123 29.848 29.700 0.041 0.000 0.750 123 E HN 0.356 nan 8.360 nan 0.000 0.477 124 E N 0.029 120.201 120.200 -0.046 0.000 2.418 124 E HA -0.093 4.250 4.350 -0.012 0.000 0.197 124 E C 1.693 178.221 176.600 -0.120 0.000 1.026 124 E CA 0.500 56.872 56.400 -0.047 0.000 0.862 124 E CB 0.133 29.840 29.700 0.011 0.000 0.799 124 E HN 0.397 nan 8.360 nan 0.000 0.518 125 I N 0.724 121.156 120.570 -0.230 0.000 2.876 125 I HA -0.075 4.088 4.170 -0.012 0.000 0.264 125 I C 1.265 177.056 176.117 -0.543 0.000 1.204 125 I CA 0.140 61.239 61.300 -0.335 0.000 1.485 125 I CB 0.221 38.028 38.000 -0.323 0.000 1.103 125 I HN -0.053 nan 8.210 nan 0.000 0.446 126 E N 2.354 122.123 120.200 -0.718 0.000 2.376 126 E HA -0.051 4.291 4.350 -0.012 0.000 0.266 126 E C 0.005 176.493 176.600 -0.187 0.000 1.009 126 E CA -0.139 55.884 56.400 -0.629 0.000 0.902 126 E CB 0.612 30.058 29.700 -0.423 0.000 0.972 126 E HN 0.091 nan 8.360 nan 0.000 0.439 127 E N 2.987 123.169 120.200 -0.030 0.000 2.366 127 E HA 0.074 4.417 4.350 -0.012 0.000 0.266 127 E C -1.107 175.588 176.600 0.158 0.000 1.051 127 E CA -0.314 56.157 56.400 0.118 0.000 0.884 127 E CB 0.834 30.687 29.700 0.256 0.000 1.006 127 E HN 0.384 nan 8.360 nan 0.000 0.417 128 D N 1.305 121.780 120.400 0.125 0.000 2.341 128 D HA 0.317 4.949 4.640 -0.012 0.000 0.245 128 D C -0.919 175.420 176.300 0.066 0.000 1.106 128 D CA 0.172 54.217 54.000 0.076 0.000 0.905 128 D CB 1.025 41.853 40.800 0.047 0.000 1.202 128 D HN 0.427 nan 8.370 nan 0.000 0.426 129 A N 2.046 124.855 122.820 -0.019 0.000 2.774 129 A HA 0.483 4.795 4.320 -0.012 0.000 0.326 129 A C 0.867 178.313 177.584 -0.230 0.000 1.478 129 A CA -0.522 51.334 52.037 -0.301 0.000 1.099 129 A CB -0.219 18.674 19.000 -0.177 0.000 1.148 129 A HN 0.525 nan 8.150 nan 0.000 0.519 130 G N 1.679 110.306 108.800 -0.288 0.000 3.581 130 G HA2 0.396 4.348 3.960 -0.012 0.000 0.255 130 G HA3 0.396 4.348 3.960 -0.012 0.000 0.255 130 G C 0.302 174.982 174.900 -0.367 0.000 1.121 130 G CA -0.254 44.741 45.100 -0.175 0.000 1.739 130 G HN 0.680 nan 8.290 nan 0.000 0.646 131 L N 1.445 122.502 121.223 -0.277 0.000 2.955 131 L HA 0.399 4.731 4.340 -0.012 0.000 0.238 131 L C 1.006 177.805 176.870 -0.119 0.000 1.359 131 L CA -0.271 54.507 54.840 -0.103 0.000 1.214 131 L CB -0.346 41.779 42.059 0.110 0.000 1.600 131 L HN 0.306 nan 8.230 nan 0.000 0.442 132 G N -1.211 107.290 108.800 -0.499 0.000 2.677 132 G HA2 0.203 4.155 3.960 -0.012 0.000 0.291 132 G HA3 0.203 4.155 3.960 -0.012 0.000 0.291 132 G C -0.190 174.246 174.900 -0.773 0.000 1.435 132 G CA -0.451 44.321 45.100 -0.547 0.000 0.826 132 G HN -0.055 nan 8.290 nan 0.000 0.491 133 N N -0.811 117.672 118.700 -0.362 0.000 2.436 133 N HA 0.205 4.938 4.740 -0.012 0.000 0.178 133 N C 1.180 176.689 175.510 -0.002 0.000 1.026 133 N CA 1.310 54.248 53.050 -0.187 0.000 0.880 133 N CB 1.190 39.669 38.487 -0.013 0.000 1.061 133 N HN 0.798 nan 8.380 nan 0.000 0.434 134 G N -0.699 108.179 108.800 0.132 0.000 2.947 134 G HA2 0.199 4.152 3.960 -0.012 0.000 0.115 134 G HA3 0.199 4.152 3.960 -0.012 0.000 0.115 134 G C 0.770 175.807 174.900 0.228 0.000 1.214 134 G CA 0.289 45.557 45.100 0.279 0.000 1.324 134 G HN 0.178 nan 8.290 nan 0.000 0.645 135 G N 0.503 109.379 108.800 0.127 0.000 2.491 135 G HA2 -0.133 3.819 3.960 -0.012 0.000 0.218 135 G HA3 -0.133 3.819 3.960 -0.012 0.000 0.218 135 G C 1.902 176.808 174.900 0.010 0.000 1.180 135 G CA 1.572 46.706 45.100 0.058 0.000 0.774 135 G HN 0.772 nan 8.290 nan 0.000 0.562 136 L N 0.670 121.869 121.223 -0.040 0.000 2.017 136 L HA 0.067 4.400 4.340 -0.012 0.000 0.208 136 L C 2.855 179.670 176.870 -0.092 0.000 1.073 136 L CA 2.115 56.846 54.840 -0.182 0.000 0.745 136 L CB -0.564 41.343 42.059 -0.253 0.000 0.894 136 L HN 0.240 nan 8.230 nan 0.000 0.432 137 G N -1.012 107.791 108.800 0.004 0.000 2.421 137 G HA2 -0.220 3.732 3.960 -0.012 0.000 0.217 137 G HA3 -0.220 3.732 3.960 -0.012 0.000 0.217 137 G C 1.708 176.692 174.900 0.139 0.000 1.143 137 G CA 0.177 45.303 45.100 0.043 0.000 0.784 137 G HN 0.167 nan 8.290 nan 0.000 0.541 138 R N -0.090 120.520 120.500 0.182 0.000 2.115 138 R HA 0.134 4.466 4.340 -0.012 0.000 0.226 138 R C 2.446 178.761 176.300 0.026 0.000 1.100 138 R CA 0.527 56.710 56.100 0.138 0.000 0.980 138 R CB -0.849 29.500 30.300 0.081 0.000 0.875 138 R HN 0.408 nan 8.270 nan 0.000 0.445 139 L N 0.760 121.931 121.223 -0.086 0.000 2.012 139 L HA -0.105 4.227 4.340 -0.012 0.000 0.210 139 L C 2.195 178.793 176.870 -0.454 0.000 1.073 139 L CA 2.223 56.870 54.840 -0.322 0.000 0.748 139 L CB -0.743 41.093 42.059 -0.372 0.000 0.891 139 L HN 0.168 nan 8.230 nan 0.000 0.431 140 A N -0.660 122.027 122.820 -0.222 0.000 1.940 140 A HA -0.167 4.145 4.320 -0.012 0.000 0.219 140 A C 2.423 180.076 177.584 0.115 0.000 1.176 140 A CA 1.938 53.923 52.037 -0.086 0.000 0.631 140 A CB -1.133 17.793 19.000 -0.123 0.000 0.814 140 A HN 0.582 nan 8.150 nan 0.000 0.446 141 A N -1.403 121.515 122.820 0.162 0.000 1.929 141 A HA -0.103 4.210 4.320 -0.012 0.000 0.216 141 A C 2.283 179.946 177.584 0.132 0.000 1.176 141 A CA 1.532 53.687 52.037 0.197 0.000 0.628 141 A CB -1.110 17.995 19.000 0.175 0.000 0.816 141 A HN 0.581 nan 8.150 nan 0.000 0.444 142 C N -1.586 117.790 119.300 0.126 0.000 2.446 142 C HA -0.004 4.449 4.460 -0.012 0.000 0.277 142 C C 2.395 177.545 174.990 0.267 0.000 1.275 142 C CA 0.470 59.598 59.018 0.183 0.000 1.727 142 C CB -1.514 26.354 27.740 0.213 0.000 2.010 142 C HN 0.613 nan 8.230 nan 0.000 0.486 143 F N 0.625 120.564 119.950 -0.018 0.000 2.134 143 F HA -0.089 4.431 4.527 -0.013 0.000 0.299 143 F C 2.110 177.854 175.800 -0.094 0.000 1.097 143 F CA 1.115 59.050 58.000 -0.108 0.000 1.264 143 F CB -1.352 37.447 39.000 -0.335 0.000 1.001 143 F HN 0.093 nan 8.300 nan 0.000 0.479 144 L N 0.338 121.643 121.223 0.135 0.000 2.012 144 L HA -0.237 4.096 4.340 -0.012 0.000 0.210 144 L C 2.416 179.303 176.870 0.028 0.000 1.073 144 L CA 1.928 56.803 54.840 0.058 0.000 0.748 144 L CB -1.245 40.853 42.059 0.064 0.000 0.891 144 L HN 0.185 nan 8.230 nan 0.000 0.431 145 D N -1.308 119.117 120.400 0.041 0.000 2.117 145 D HA -0.163 4.469 4.640 -0.012 0.000 0.197 145 D C 1.902 178.222 176.300 0.033 0.000 0.987 145 D CA 1.517 55.526 54.000 0.016 0.000 0.829 145 D CB 0.431 41.237 40.800 0.009 0.000 0.961 145 D HN 0.309 nan 8.370 nan 0.000 0.460 146 S N -0.125 115.612 115.700 0.061 0.000 2.371 146 S HA -0.051 4.412 4.470 -0.012 0.000 0.224 146 S C 2.134 176.750 174.600 0.027 0.000 1.029 146 S CA 0.712 58.941 58.200 0.048 0.000 0.978 146 S CB -0.113 63.122 63.200 0.059 0.000 0.833 146 S HN 0.332 nan 8.310 nan 0.000 0.466 147 M N 1.000 120.610 119.600 0.017 0.000 2.213 147 M HA -0.094 4.379 4.480 -0.012 0.000 0.263 147 M C 2.355 178.660 176.300 0.009 0.000 1.062 147 M CA 1.326 56.633 55.300 0.012 0.000 1.105 147 M CB -0.434 32.159 32.600 -0.011 0.000 1.385 147 M HN 0.396 nan 8.290 nan 0.000 0.417 148 A N -0.439 122.384 122.820 0.005 0.000 1.897 148 A HA -0.099 4.214 4.320 -0.012 0.000 0.215 148 A C 2.150 179.749 177.584 0.025 0.000 1.181 148 A CA 1.851 53.892 52.037 0.006 0.000 0.620 148 A CB -0.946 18.042 19.000 -0.019 0.000 0.821 148 A HN 0.398 nan 8.150 nan 0.000 0.443 149 T N 0.249 114.824 114.554 0.035 0.000 2.915 149 T HA 0.037 4.379 4.350 -0.012 0.000 0.269 149 T C 1.268 175.998 174.700 0.050 0.000 1.071 149 T CA 0.951 63.086 62.100 0.057 0.000 1.132 149 T CB -0.236 68.676 68.868 0.074 0.000 0.878 149 T HN 0.322 nan 8.240 nan 0.000 0.479 150 L N 0.658 121.906 121.223 0.042 0.000 2.685 150 L HA 0.307 4.639 4.340 -0.012 0.000 0.233 150 L C 1.455 178.352 176.870 0.045 0.000 1.173 150 L CA -0.250 54.615 54.840 0.042 0.000 0.961 150 L CB -0.456 41.628 42.059 0.041 0.000 1.217 150 L HN 0.359 nan 8.230 nan 0.000 0.478 151 G N 1.499 110.327 108.800 0.048 0.000 2.366 151 G HA2 -0.284 3.669 3.960 -0.012 0.000 0.299 151 G HA3 -0.284 3.669 3.960 -0.012 0.000 0.299 151 G C -0.056 174.876 174.900 0.053 0.000 1.020 151 G CA 0.139 45.279 45.100 0.066 0.000 1.026 151 G HN 0.295 nan 8.290 nan 0.000 0.512 152 L N -0.326 120.905 121.223 0.013 0.000 2.325 152 L HA 0.653 4.986 4.340 -0.012 0.000 0.279 152 L C 1.098 177.839 176.870 -0.214 0.000 1.054 152 L CA -0.612 54.190 54.840 -0.063 0.000 0.804 152 L CB 1.855 43.900 42.059 -0.024 0.000 1.200 152 L HN 0.283 nan 8.230 nan 0.000 0.436 153 A N 2.994 125.544 122.820 -0.450 0.000 2.981 153 A HA 0.574 4.886 4.320 -0.012 0.000 0.280 153 A C 0.287 177.516 177.584 -0.592 0.000 1.743 153 A CA -0.160 51.329 52.037 -0.913 0.000 1.430 153 A CB -0.649 17.709 19.000 -1.069 0.000 1.085 153 A HN 0.682 nan 8.150 nan 0.000 0.597 154 A N 1.483 124.011 122.820 -0.486 0.000 2.337 154 A HA 0.786 5.098 4.320 -0.012 0.000 0.329 154 A C -1.090 176.227 177.584 -0.446 0.000 1.146 154 A CA -0.440 51.367 52.037 -0.382 0.000 0.800 154 A CB 0.718 19.582 19.000 -0.226 0.000 1.220 154 A HN 0.586 nan 8.150 nan 0.000 0.472 155 Y N 0.324 120.581 120.300 -0.072 0.000 2.391 155 Y HA 0.550 5.093 4.550 -0.012 0.000 0.341 155 Y C 0.818 176.833 175.900 0.192 0.000 0.965 155 Y CA -0.639 57.501 58.100 0.067 0.000 1.067 155 Y CB 2.242 40.850 38.460 0.247 0.000 1.199 155 Y HN 0.815 nan 8.280 nan 0.000 0.450 156 G N 2.223 111.122 108.800 0.165 0.000 2.325 156 G HA2 0.454 4.407 3.960 -0.012 0.000 0.298 156 G HA3 0.454 4.407 3.960 -0.012 0.000 0.298 156 G C -1.749 173.172 174.900 0.036 0.000 1.134 156 G CA -0.286 44.927 45.100 0.188 0.000 0.876 156 G HN 0.523 nan 8.290 nan 0.000 0.452 157 Y N 1.146 121.674 120.300 0.380 0.000 2.361 157 Y HA 0.626 5.168 4.550 -0.013 0.000 0.337 157 Y C 0.747 176.955 175.900 0.513 0.000 0.965 157 Y CA 0.187 58.482 58.100 0.325 0.000 1.091 157 Y CB 2.665 41.342 38.460 0.362 0.000 1.182 157 Y HN 0.872 nan 8.280 nan 0.000 0.450 158 G N 2.411 111.529 108.800 0.530 0.000 2.772 158 G HA2 0.573 4.525 3.960 -0.012 0.000 0.284 158 G HA3 0.573 4.525 3.960 -0.012 0.000 0.284 158 G C -1.712 173.431 174.900 0.405 0.000 1.217 158 G CA -0.791 44.654 45.100 0.575 0.000 0.831 158 G HN 0.411 nan 8.290 nan 0.000 0.523 159 I N 0.680 121.387 120.570 0.229 0.000 2.474 159 I HA 0.431 4.594 4.170 -0.012 0.000 0.294 159 I C 0.081 176.090 176.117 -0.181 0.000 1.005 159 I CA -0.716 60.597 61.300 0.022 0.000 1.113 159 I CB 2.240 40.059 38.000 -0.301 0.000 1.289 159 I HN 0.361 nan 8.210 nan 0.000 0.436 160 R N 6.286 126.779 120.500 -0.011 0.000 2.593 160 R HA 0.258 4.590 4.340 -0.012 0.000 0.282 160 R C -1.299 175.044 176.300 0.072 0.000 1.300 160 R CA -0.456 55.672 56.100 0.047 0.000 1.221 160 R CB 0.004 30.311 30.300 0.012 0.000 1.157 160 R HN 0.395 nan 8.270 nan 0.000 0.555 161 Y N 1.691 122.146 120.300 0.258 0.000 2.425 161 Y HA -0.032 4.510 4.550 -0.013 0.000 0.331 161 Y C 1.511 177.584 175.900 0.287 0.000 1.157 161 Y CA -0.112 58.128 58.100 0.232 0.000 1.372 161 Y CB 0.922 39.502 38.460 0.200 0.000 1.253 161 Y HN 0.558 nan 8.280 nan 0.000 0.536 162 E N 0.956 121.315 120.200 0.264 0.000 2.435 162 E HA 0.032 4.374 4.350 -0.012 0.000 0.195 162 E C -0.834 175.630 176.600 -0.227 0.000 1.029 162 E CA 0.496 56.870 56.400 -0.043 0.000 0.865 162 E CB 0.091 29.579 29.700 -0.354 0.000 0.833 162 E HN 0.357 nan 8.360 nan 0.000 0.510 163 F N 1.271 121.461 119.950 0.401 0.000 2.496 163 F HA 0.483 5.002 4.527 -0.013 0.000 0.341 163 F C 0.844 176.742 175.800 0.163 0.000 1.134 163 F CA -0.962 57.217 58.000 0.299 0.000 0.968 163 F CB 1.932 41.033 39.000 0.169 0.000 1.205 163 F HN -0.073 nan 8.300 nan 0.000 0.436 164 G N 1.898 110.820 108.800 0.203 0.000 2.546 164 G HA2 0.334 4.286 3.960 -0.012 0.000 0.239 164 G HA3 0.334 4.286 3.960 -0.012 0.000 0.239 164 G C -0.431 174.437 174.900 -0.053 0.000 1.476 164 G CA -0.650 44.410 45.100 -0.067 0.000 1.064 164 G HN 0.528 nan 8.290 nan 0.000 0.561 165 I N 0.985 121.449 120.570 -0.177 0.000 2.683 165 I HA 0.223 4.386 4.170 -0.012 0.000 0.286 165 I C 0.625 176.665 176.117 -0.127 0.000 1.175 165 I CA -1.027 60.151 61.300 -0.202 0.000 1.429 165 I CB -0.244 37.537 38.000 -0.365 0.000 1.371 165 I HN 0.346 nan 8.210 nan 0.000 0.569 166 F N 6.377 126.337 119.950 0.016 0.000 2.626 166 F HA 0.192 4.712 4.527 -0.012 0.000 0.354 166 F C 0.400 176.248 175.800 0.080 0.000 1.168 166 F CA -0.402 57.628 58.000 0.050 0.000 1.368 166 F CB -0.214 38.803 39.000 0.027 0.000 1.092 166 F HN 0.434 nan 8.300 nan 0.000 0.612 167 N N 2.260 121.130 118.700 0.283 0.000 2.444 167 N HA 0.076 4.808 4.740 -0.012 0.000 0.271 167 N C -0.919 174.810 175.510 0.365 0.000 1.069 167 N CA -0.358 52.822 53.050 0.216 0.000 0.965 167 N CB 1.325 39.936 38.487 0.206 0.000 1.092 167 N HN 0.753 nan 8.380 nan 0.000 0.476 168 Q N 2.479 122.459 119.800 0.301 0.000 2.267 168 Q HA 0.194 4.527 4.340 -0.012 0.000 0.255 168 Q C -0.950 175.220 176.000 0.282 0.000 0.923 168 Q CA -0.181 55.849 55.803 0.379 0.000 0.925 168 Q CB 0.755 29.715 28.738 0.370 0.000 1.195 168 Q HN 0.274 nan 8.270 nan 0.000 0.417 169 K N 4.345 124.895 120.400 0.249 0.000 2.378 169 K HA 0.448 4.760 4.320 -0.012 0.000 0.252 169 K C -0.908 175.798 176.600 0.177 0.000 0.931 169 K CA -0.955 55.453 56.287 0.201 0.000 0.794 169 K CB 1.613 34.211 32.500 0.162 0.000 1.181 169 K HN 0.612 nan 8.250 nan 0.000 0.425 170 I N 2.613 123.281 120.570 0.163 0.000 2.312 170 I HA 0.200 4.363 4.170 -0.012 0.000 0.290 170 I C -0.177 176.004 176.117 0.106 0.000 1.008 170 I CA -0.747 60.622 61.300 0.115 0.000 1.226 170 I CB 0.610 38.662 38.000 0.086 0.000 1.371 170 I HN 0.477 nan 8.210 nan 0.000 0.468 171 C N 4.263 123.636 119.300 0.122 0.000 2.301 171 C HA 0.583 5.036 4.460 -0.012 0.000 0.323 171 C C 1.172 176.264 174.990 0.169 0.000 1.265 171 C CA -0.355 58.738 59.018 0.125 0.000 1.503 171 C CB 0.373 28.182 27.740 0.115 0.000 2.195 171 C HN 1.086 nan 8.230 nan 0.000 0.477 172 G N 2.686 111.555 108.800 0.115 0.000 2.249 172 G HA2 0.096 4.049 3.960 -0.012 0.000 0.273 172 G HA3 0.096 4.049 3.960 -0.012 0.000 0.273 172 G C 1.085 175.984 174.900 -0.002 0.000 1.036 172 G CA 0.976 46.145 45.100 0.114 0.000 0.824 172 G HN 2.313 nan 8.290 nan 0.000 0.504 173 G N -2.885 105.865 108.800 -0.084 0.000 2.199 173 G HA2 -0.290 3.662 3.960 -0.012 0.000 0.254 173 G HA3 -0.290 3.662 3.960 -0.012 0.000 0.254 173 G C 0.392 175.045 174.900 -0.413 0.000 0.982 173 G CA 0.623 45.548 45.100 -0.292 0.000 0.632 173 G HN 1.195 nan 8.290 nan 0.000 0.529 174 W N 1.008 122.257 121.300 -0.085 0.000 2.512 174 W HA 0.666 5.319 4.660 -0.012 0.000 0.335 174 W C 0.648 177.121 176.519 -0.077 0.000 1.088 174 W CA -0.825 56.463 57.345 -0.094 0.000 1.236 174 W CB 0.796 30.215 29.460 -0.069 0.000 1.307 174 W HN 0.259 nan 8.180 nan 0.000 0.567 175 Q N 2.919 122.830 119.800 0.184 0.000 2.314 175 Q HA 0.281 4.613 4.340 -0.012 0.000 0.258 175 Q C -0.665 175.402 176.000 0.112 0.000 0.954 175 Q CA 0.025 55.905 55.803 0.128 0.000 0.890 175 Q CB 0.618 29.425 28.738 0.116 0.000 1.210 175 Q HN 0.316 nan 8.270 nan 0.000 0.410 176 M N 3.222 122.886 119.600 0.106 0.000 2.321 176 M HA 0.379 4.852 4.480 -0.012 0.000 0.315 176 M C -1.144 175.184 176.300 0.046 0.000 1.052 176 M CA -0.621 54.710 55.300 0.051 0.000 0.936 176 M CB 1.738 34.379 32.600 0.068 0.000 1.639 176 M HN 0.640 nan 8.290 nan 0.000 0.433 177 E N 1.813 121.967 120.200 -0.075 0.000 2.204 177 E HA 0.535 4.877 4.350 -0.012 0.000 0.276 177 E C -0.608 175.991 176.600 -0.002 0.000 0.974 177 E CA -0.556 55.770 56.400 -0.124 0.000 0.815 177 E CB 1.774 31.133 29.700 -0.570 0.000 1.119 177 E HN 0.540 nan 8.360 nan 0.000 0.393 178 E N 1.187 121.460 120.200 0.122 0.000 2.321 178 E HA 0.596 4.938 4.350 -0.012 0.000 0.278 178 E C -1.301 175.382 176.600 0.137 0.000 0.902 178 E CA -1.247 55.209 56.400 0.093 0.000 0.758 178 E CB 1.269 31.032 29.700 0.105 0.000 1.213 178 E HN 0.535 nan 8.360 nan 0.000 0.426 179 A N 2.892 125.743 122.820 0.050 0.000 2.587 179 A HA 0.018 4.331 4.320 -0.012 0.000 0.235 179 A C 0.059 177.782 177.584 0.231 0.000 1.044 179 A CA 0.784 52.847 52.037 0.043 0.000 0.754 179 A CB -0.041 18.828 19.000 -0.219 0.000 0.968 179 A HN 0.679 nan 8.150 nan 0.000 0.509 180 D N 1.639 122.255 120.400 0.361 0.000 2.524 180 D HA 0.193 4.825 4.640 -0.012 0.000 0.222 180 D C -0.472 176.183 176.300 0.592 0.000 1.142 180 D CA -0.260 53.979 54.000 0.398 0.000 0.973 180 D CB 0.344 41.318 40.800 0.289 0.000 1.025 180 D HN 0.364 nan 8.370 nan 0.000 0.519 181 D N 3.804 124.516 120.400 0.519 0.000 2.688 181 D HA -0.031 4.602 4.640 -0.012 0.000 0.228 181 D C 1.143 177.620 176.300 0.296 0.000 1.116 181 D CA -0.519 53.729 54.000 0.413 0.000 1.023 181 D CB -0.159 40.859 40.800 0.364 0.000 1.100 181 D HN 0.579 nan 8.370 nan 0.000 0.487 182 W N 1.889 123.258 121.300 0.115 0.000 2.468 182 W HA -0.071 4.581 4.660 -0.012 0.000 0.262 182 W C 0.304 176.894 176.519 0.119 0.000 1.241 182 W CA 0.110 57.530 57.345 0.125 0.000 1.232 182 W CB -0.817 28.713 29.460 0.116 0.000 1.124 182 W HN 0.188 nan 8.180 nan 0.000 0.597 183 L N 0.860 121.737 121.223 -0.577 0.000 2.592 183 L HA 0.148 4.480 4.340 -0.012 0.000 0.227 183 L C 2.785 179.514 176.870 -0.235 0.000 1.127 183 L CA 0.067 54.544 54.840 -0.604 0.000 0.884 183 L CB -0.662 40.903 42.059 -0.823 0.000 1.065 183 L HN -0.100 nan 8.230 nan 0.000 0.457 184 R N 0.693 121.124 120.500 -0.116 0.000 2.159 184 R HA -0.259 4.074 4.340 -0.012 0.000 0.252 184 R C 1.360 177.511 176.300 -0.248 0.000 1.144 184 R CA 2.264 58.275 56.100 -0.149 0.000 0.961 184 R CB -0.241 30.003 30.300 -0.093 0.000 0.877 184 R HN 0.323 nan 8.270 nan 0.000 0.444 185 Y N -0.761 119.558 120.300 0.031 0.000 2.458 185 Y HA 0.335 4.878 4.550 -0.012 0.000 0.256 185 Y C 0.789 176.682 175.900 -0.012 0.000 1.159 185 Y CA 0.430 58.558 58.100 0.046 0.000 1.261 185 Y CB 1.182 39.779 38.460 0.227 0.000 1.119 185 Y HN 0.452 nan 8.280 nan 0.000 0.524 186 G N 1.286 110.131 108.800 0.076 0.000 2.662 186 G HA2 -0.199 3.753 3.960 -0.012 0.000 0.686 186 G HA3 -0.199 3.753 3.960 -0.012 0.000 0.686 186 G C -1.342 173.626 174.900 0.113 0.000 1.271 186 G CA -0.878 44.229 45.100 0.011 0.000 0.816 186 G HN 0.195 nan 8.290 nan 0.000 0.608 187 N N 1.155 119.873 118.700 0.030 0.000 2.573 187 N HA 0.547 5.280 4.740 -0.012 0.000 0.262 187 N C -0.810 174.700 175.510 0.000 0.000 1.029 187 N CA -1.958 51.136 53.050 0.073 0.000 0.882 187 N CB 2.030 40.511 38.487 -0.010 0.000 1.204 187 N HN 0.242 nan 8.380 nan 0.000 0.519 188 P HA 0.010 nan 4.420 nan 0.000 0.230 188 P C 0.595 177.542 177.300 -0.589 0.000 1.158 188 P CA 0.735 63.506 63.100 -0.548 0.000 0.769 188 P CB 0.102 31.198 31.700 -1.005 0.000 0.807 189 W N 1.729 123.045 121.300 0.026 0.000 2.576 189 W HA 0.065 4.718 4.660 -0.012 0.000 0.275 189 W C 1.353 177.916 176.519 0.073 0.000 1.241 189 W CA -0.340 57.016 57.345 0.018 0.000 1.328 189 W CB -0.311 29.160 29.460 0.019 0.000 1.092 189 W HN -0.029 nan 8.180 nan 0.000 0.586 190 E N 1.902 122.283 120.200 0.301 0.000 2.349 190 E HA 0.268 4.611 4.350 -0.012 0.000 0.262 190 E C -0.583 176.190 176.600 0.288 0.000 1.088 190 E CA -0.567 56.019 56.400 0.310 0.000 0.899 190 E CB 1.208 31.105 29.700 0.328 0.000 1.044 190 E HN -0.308 nan 8.360 nan 0.000 0.420 191 K N 1.483 122.069 120.400 0.310 0.000 2.604 191 K HA 0.395 4.708 4.320 -0.012 0.000 0.247 191 K C -1.225 175.401 176.600 0.044 0.000 0.956 191 K CA -0.412 55.990 56.287 0.192 0.000 0.896 191 K CB 1.422 34.051 32.500 0.215 0.000 1.131 191 K HN 0.662 nan 8.250 nan 0.000 0.440 192 A N 4.148 126.902 122.820 -0.111 0.000 2.511 192 A HA 0.313 4.626 4.320 -0.012 0.000 0.242 192 A C -0.248 177.138 177.584 -0.331 0.000 1.069 192 A CA -0.003 51.693 52.037 -0.569 0.000 0.763 192 A CB 0.199 18.871 19.000 -0.546 0.000 1.001 192 A HN 0.669 nan 8.150 nan 0.000 0.498 193 R N 3.406 123.704 120.500 -0.337 0.000 2.748 193 R HA 0.201 4.534 4.340 -0.012 0.000 0.283 193 R C -2.374 173.815 176.300 -0.185 0.000 1.507 193 R CA -1.586 54.411 56.100 -0.171 0.000 1.666 193 R CB 0.840 31.207 30.300 0.113 0.000 1.237 193 R HN 0.574 nan 8.270 nan 0.000 0.633 194 P HA -0.182 nan 4.420 nan 0.000 0.221 194 P C 0.875 178.083 177.300 -0.153 0.000 1.145 194 P CA 1.140 64.159 63.100 -0.136 0.000 0.795 194 P CB 0.359 31.987 31.700 -0.120 0.000 0.775 195 E N -0.519 119.478 120.200 -0.339 0.000 2.478 195 E HA -0.107 4.235 4.350 -0.012 0.000 0.198 195 E C 0.329 176.682 176.600 -0.411 0.000 1.046 195 E CA 0.681 56.819 56.400 -0.437 0.000 0.870 195 E CB -0.659 28.653 29.700 -0.646 0.000 0.818 195 E HN 0.270 nan 8.360 nan 0.000 0.527 196 F N 1.485 121.451 119.950 0.027 0.000 2.791 196 F HA 0.286 4.805 4.527 -0.012 0.000 0.308 196 F C 0.384 176.275 175.800 0.152 0.000 1.138 196 F CA -0.775 57.270 58.000 0.075 0.000 1.294 196 F CB 0.222 39.262 39.000 0.066 0.000 0.975 196 F HN -0.294 nan 8.300 nan 0.000 0.512 197 T N 2.973 117.670 114.554 0.238 0.000 2.928 197 T HA 0.308 4.650 4.350 -0.012 0.000 0.305 197 T C -0.148 174.661 174.700 0.182 0.000 1.035 197 T CA 0.381 62.620 62.100 0.232 0.000 1.145 197 T CB 0.683 69.638 68.868 0.146 0.000 0.963 197 T HN -0.159 nan 8.240 nan 0.000 0.545 198 L N 5.354 126.658 121.223 0.134 0.000 2.341 198 L HA 0.624 4.957 4.340 -0.012 0.000 0.267 198 L C -2.234 174.604 176.870 -0.053 0.000 1.009 198 L CA -2.621 52.222 54.840 0.005 0.000 0.819 198 L CB 1.855 43.842 42.059 -0.121 0.000 1.323 198 L HN 0.391 nan 8.230 nan 0.000 0.425 199 P HA 0.431 nan 4.420 nan 0.000 0.292 199 P C -1.284 175.877 177.300 -0.232 0.000 1.283 199 P CA -0.486 62.532 63.100 -0.136 0.000 0.835 199 P CB 2.069 33.688 31.700 -0.136 0.000 1.017 200 V N 3.885 123.649 119.914 -0.251 0.000 2.656 200 V HA 0.339 4.452 4.120 -0.012 0.000 0.307 200 V C 0.123 175.978 176.094 -0.399 0.000 1.051 200 V CA -0.610 61.530 62.300 -0.267 0.000 0.893 200 V CB 1.595 33.340 31.823 -0.129 0.000 0.999 200 V HN 0.614 nan 8.190 nan 0.000 0.426 201 H N 3.677 122.566 119.070 -0.302 0.000 2.502 201 H HA 0.639 5.187 4.556 -0.013 0.000 0.338 201 H C -1.367 173.562 175.328 -0.665 0.000 1.155 201 H CA -0.205 55.557 56.048 -0.476 0.000 1.237 201 H CB 1.973 31.213 29.762 -0.870 0.000 1.534 201 H HN 0.451 nan 8.280 nan 0.000 0.523 202 F N -0.092 119.837 119.950 -0.036 0.000 2.613 202 F HA 0.204 4.723 4.527 -0.013 0.000 0.310 202 F C -0.263 175.586 175.800 0.083 0.000 1.085 202 F CA -0.577 57.403 58.000 -0.034 0.000 0.945 202 F CB 0.897 39.801 39.000 -0.161 0.000 1.298 202 F HN 0.575 nan 8.300 nan 0.000 0.455 203 Y N 0.264 120.818 120.300 0.424 0.000 2.896 203 Y HA -0.019 4.524 4.550 -0.012 0.000 0.466 203 Y C 1.445 177.568 175.900 0.370 0.000 1.197 203 Y CA 0.735 59.015 58.100 0.300 0.000 2.513 203 Y CB -1.912 36.648 38.460 0.167 0.000 1.232 203 Y HN 1.327 nan 8.280 nan 0.000 0.632 204 G N 0.755 109.795 108.800 0.401 0.000 2.598 204 G HA2 0.090 4.042 3.960 -0.012 0.000 0.244 204 G HA3 0.090 4.042 3.960 -0.012 0.000 0.244 204 G C -0.472 174.623 174.900 0.324 0.000 1.302 204 G CA 1.038 46.297 45.100 0.266 0.000 0.903 204 G HN 1.372 nan 8.290 nan 0.000 0.575 205 R N -2.588 118.099 120.500 0.313 0.000 2.766 205 R HA 0.718 5.050 4.340 -0.012 0.000 0.270 205 R C -1.541 174.883 176.300 0.207 0.000 1.035 205 R CA -0.844 55.386 56.100 0.217 0.000 0.911 205 R CB 1.217 31.593 30.300 0.127 0.000 1.243 205 R HN 0.964 nan 8.270 nan 0.000 0.460 206 V N 0.955 120.910 119.914 0.069 0.000 2.417 206 V HA 0.368 4.481 4.120 -0.012 0.000 0.291 206 V C -0.332 175.708 176.094 -0.090 0.000 1.024 206 V CA -0.593 61.681 62.300 -0.043 0.000 0.861 206 V CB 1.446 33.169 31.823 -0.166 0.000 0.985 206 V HN 0.669 nan 8.190 nan 0.000 0.436 207 E N 3.229 123.357 120.200 -0.120 0.000 2.151 207 E HA 0.396 4.738 4.350 -0.012 0.000 0.275 207 E C -0.991 175.497 176.600 -0.187 0.000 0.936 207 E CA -0.673 55.678 56.400 -0.081 0.000 0.777 207 E CB 1.032 30.723 29.700 -0.015 0.000 1.108 207 E HN 0.655 nan 8.360 nan 0.000 0.401 208 H N 2.571 121.653 119.070 0.019 0.000 2.685 208 H HA 0.177 4.725 4.556 -0.013 0.000 0.286 208 H C -0.298 175.037 175.328 0.012 0.000 1.102 208 H CA -0.205 55.849 56.048 0.011 0.000 1.254 208 H CB 0.727 30.491 29.762 0.004 0.000 1.397 208 H HN 0.431 nan 8.280 nan 0.000 0.473 209 T N 0.015 114.621 114.554 0.087 0.000 2.841 209 T HA 0.287 4.629 4.350 -0.012 0.000 0.283 209 T C 1.140 175.871 174.700 0.052 0.000 1.000 209 T CA -0.251 61.886 62.100 0.061 0.000 0.977 209 T CB 1.968 70.858 68.868 0.036 0.000 0.979 209 T HN 0.528 nan 8.240 nan 0.000 0.446 210 S N 2.635 118.361 115.700 0.044 0.000 2.521 210 S HA -0.371 4.092 4.470 -0.012 0.000 0.517 210 S C 0.916 175.538 174.600 0.035 0.000 0.973 210 S CA 1.913 60.134 58.200 0.034 0.000 3.182 210 S CB -1.387 61.829 63.200 0.026 0.000 2.244 210 S HN 0.864 nan 8.310 nan 0.000 0.529 211 Q N 2.887 122.706 119.800 0.032 0.000 2.923 211 Q HA 0.564 4.897 4.340 -0.012 0.000 0.363 211 Q C 0.267 176.288 176.000 0.034 0.000 1.159 211 Q CA 0.812 56.634 55.803 0.032 0.000 1.073 211 Q CB 0.394 29.147 28.738 0.025 0.000 1.364 211 Q HN 0.970 nan 8.270 nan 0.000 0.466 212 G N -0.286 108.543 108.800 0.049 0.000 2.459 212 G HA2 0.246 4.198 3.960 -0.012 0.000 0.685 212 G HA3 0.246 4.198 3.960 -0.012 0.000 0.685 212 G C -1.091 173.829 174.900 0.035 0.000 1.303 212 G CA -0.658 44.471 45.100 0.048 0.000 0.907 212 G HN 0.495 nan 8.290 nan 0.000 0.632 213 A N 0.306 123.127 122.820 0.003 0.000 2.302 213 A HA 0.843 5.156 4.320 -0.012 0.000 0.285 213 A C 0.345 177.871 177.584 -0.096 0.000 1.105 213 A CA -0.021 51.936 52.037 -0.134 0.000 0.816 213 A CB 0.923 19.788 19.000 -0.226 0.000 1.067 213 A HN 0.784 nan 8.150 nan 0.000 0.489 214 K N 0.611 120.944 120.400 -0.111 0.000 2.471 214 K HA 0.198 4.510 4.320 -0.012 0.000 0.252 214 K C -1.792 174.836 176.600 0.048 0.000 0.938 214 K CA -0.385 55.888 56.287 -0.024 0.000 0.796 214 K CB 1.868 34.359 32.500 -0.015 0.000 1.161 214 K HN 0.726 nan 8.250 nan 0.000 0.425 215 W N 5.134 126.345 121.300 -0.148 0.000 2.387 215 W HA 0.347 4.999 4.660 -0.013 0.000 0.310 215 W C -1.018 175.424 176.519 -0.129 0.000 1.181 215 W CA -0.593 56.667 57.345 -0.142 0.000 1.333 215 W CB 0.378 29.742 29.460 -0.161 0.000 1.286 215 W HN 0.189 nan 8.180 nan 0.000 0.455 216 V N 6.502 126.502 119.914 0.144 0.000 3.046 216 V HA 0.338 4.450 4.120 -0.012 0.000 0.316 216 V C -0.438 175.627 176.094 -0.047 0.000 1.104 216 V CA -0.592 61.696 62.300 -0.020 0.000 1.006 216 V CB 2.066 33.901 31.823 0.021 0.000 1.058 216 V HN 0.451 nan 8.190 nan 0.000 0.440 217 D N 1.407 121.765 120.400 -0.071 0.000 2.689 217 D HA -0.130 4.502 4.640 -0.012 0.000 0.237 217 D C 0.393 176.638 176.300 -0.092 0.000 1.148 217 D CA 1.370 55.329 54.000 -0.069 0.000 0.656 217 D CB -1.224 39.566 40.800 -0.017 0.000 1.050 217 D HN 0.846 nan 8.370 nan 0.000 0.426 218 T N -3.135 111.315 114.554 -0.172 0.000 2.918 218 T HA 0.409 4.752 4.350 -0.012 0.000 0.283 218 T C 0.218 174.881 174.700 -0.062 0.000 1.001 218 T CA -0.900 61.106 62.100 -0.157 0.000 1.041 218 T CB 2.648 71.238 68.868 -0.463 0.000 1.028 218 T HN 0.202 nan 8.240 nan 0.000 0.511 219 Q N 1.272 121.111 119.800 0.064 0.000 2.256 219 Q HA 0.505 4.838 4.340 -0.012 0.000 0.254 219 Q C -1.423 174.629 176.000 0.085 0.000 0.916 219 Q CA -0.800 55.044 55.803 0.069 0.000 0.932 219 Q CB 1.232 30.097 28.738 0.212 0.000 1.207 219 Q HN 0.623 nan 8.270 nan 0.000 0.426 220 V N 4.453 124.374 119.914 0.011 0.000 2.427 220 V HA 0.438 4.550 4.120 -0.012 0.000 0.286 220 V C -0.367 175.765 176.094 0.063 0.000 1.034 220 V CA -0.572 61.691 62.300 -0.061 0.000 0.893 220 V CB 1.722 33.472 31.823 -0.122 0.000 0.982 220 V HN 0.639 nan 8.190 nan 0.000 0.452 221 V N 5.948 125.930 119.914 0.113 0.000 2.656 221 V HA 0.503 4.615 4.120 -0.012 0.000 0.307 221 V C -0.275 175.922 176.094 0.171 0.000 1.051 221 V CA -0.639 61.773 62.300 0.186 0.000 0.893 221 V CB 2.007 34.017 31.823 0.312 0.000 0.999 221 V HN 0.630 nan 8.190 nan 0.000 0.426 222 L N 3.413 124.742 121.223 0.177 0.000 2.334 222 L HA 0.799 5.132 4.340 -0.012 0.000 0.277 222 L C 0.360 177.423 176.870 0.321 0.000 1.075 222 L CA -0.481 54.464 54.840 0.175 0.000 0.804 222 L CB 1.501 43.641 42.059 0.136 0.000 1.174 222 L HN 0.742 nan 8.230 nan 0.000 0.438 223 A N 4.701 127.662 122.820 0.235 0.000 2.267 223 A HA 0.614 4.926 4.320 -0.012 0.000 0.315 223 A C -0.509 177.347 177.584 0.454 0.000 1.297 223 A CA -0.472 51.740 52.037 0.292 0.000 0.865 223 A CB 0.975 19.709 19.000 -0.443 0.000 1.165 223 A HN 0.796 nan 8.150 nan 0.000 0.513 224 M N 6.042 125.977 119.600 0.559 0.000 2.180 224 M HA 0.506 4.978 4.480 -0.012 0.000 0.350 224 M C -2.624 173.973 176.300 0.495 0.000 1.125 224 M CA -2.047 53.527 55.300 0.457 0.000 1.031 224 M CB 2.055 34.847 32.600 0.322 0.000 1.623 224 M HN 0.351 nan 8.290 nan 0.000 0.451 225 P HA 0.278 nan 4.420 nan 0.000 0.284 225 P C -1.943 175.321 177.300 -0.061 0.000 1.258 225 P CA -0.051 62.980 63.100 -0.114 0.000 0.824 225 P CB 0.599 32.048 31.700 -0.418 0.000 1.038 226 Y N 0.264 120.497 120.300 -0.111 0.000 2.329 226 Y HA 0.290 4.832 4.550 -0.013 0.000 0.328 226 Y C -0.080 175.811 175.900 -0.015 0.000 0.992 226 Y CA -0.373 57.726 58.100 -0.002 0.000 1.151 226 Y CB 1.421 39.909 38.460 0.045 0.000 1.150 226 Y HN 0.207 nan 8.280 nan 0.000 0.450 227 D N 2.110 122.622 120.400 0.187 0.000 2.177 227 D HA 0.421 5.054 4.640 -0.012 0.000 0.247 227 D C -0.527 176.007 176.300 0.389 0.000 1.063 227 D CA -0.170 53.983 54.000 0.255 0.000 0.867 227 D CB 1.778 42.758 40.800 0.301 0.000 1.168 227 D HN 0.346 nan 8.370 nan 0.000 0.445 228 T N 3.021 117.706 114.554 0.219 0.000 2.824 228 T HA 0.458 4.800 4.350 -0.012 0.000 0.282 228 T C -2.538 171.998 174.700 -0.272 0.000 0.993 228 T CA -1.461 60.664 62.100 0.042 0.000 0.967 228 T CB 2.087 70.972 68.868 0.029 0.000 0.960 228 T HN 0.176 nan 8.240 nan 0.000 0.441 229 P HA 0.312 nan 4.420 nan 0.000 0.275 229 P C -1.001 175.963 177.300 -0.560 0.000 1.227 229 P CA -0.385 62.020 63.100 -1.157 0.000 0.781 229 P CB 0.824 31.595 31.700 -1.548 0.000 0.906 230 V N 5.109 124.760 119.914 -0.439 0.000 2.327 230 V HA 0.255 4.368 4.120 -0.012 0.000 0.272 230 V C -2.089 173.875 176.094 -0.215 0.000 1.019 230 V CA -1.927 60.215 62.300 -0.264 0.000 0.814 230 V CB 1.314 33.032 31.823 -0.175 0.000 1.040 230 V HN 0.542 nan 8.190 nan 0.000 0.440 231 P HA 0.262 nan 4.420 nan 0.000 0.280 231 P C 0.394 177.645 177.300 -0.082 0.000 1.244 231 P CA 0.368 63.382 63.100 -0.143 0.000 0.784 231 P CB 1.598 33.209 31.700 -0.148 0.000 0.913 232 G N 2.279 111.049 108.800 -0.051 0.000 2.599 232 G HA2 0.146 4.099 3.960 -0.012 0.000 0.264 232 G HA3 0.146 4.099 3.960 -0.012 0.000 0.264 232 G C -1.174 173.739 174.900 0.020 0.000 1.200 232 G CA -0.454 44.645 45.100 -0.002 0.000 0.896 232 G HN 0.473 nan 8.290 nan 0.000 0.536 233 Y N 0.451 120.717 120.300 -0.058 0.000 2.624 233 Y HA 0.277 4.819 4.550 -0.013 0.000 0.354 233 Y C 1.334 177.199 175.900 -0.057 0.000 1.051 233 Y CA -0.303 57.758 58.100 -0.065 0.000 1.377 233 Y CB 0.052 38.473 38.460 -0.066 0.000 1.168 233 Y HN 0.722 nan 8.280 nan 0.000 0.525 234 R N 2.638 122.800 120.500 -0.562 0.000 3.722 234 R HA -0.323 4.009 4.340 -0.012 0.000 0.284 234 R C 0.190 176.346 176.300 -0.240 0.000 1.165 234 R CA 1.518 57.330 56.100 -0.481 0.000 0.779 234 R CB -1.833 28.009 30.300 -0.763 0.000 1.179 234 R HN 0.943 nan 8.270 nan 0.000 0.491 235 N N -1.288 117.326 118.700 -0.143 0.000 2.187 235 N HA 0.066 4.798 4.740 -0.012 0.000 0.212 235 N C -0.240 175.227 175.510 -0.072 0.000 1.152 235 N CA -0.339 52.662 53.050 -0.082 0.000 0.872 235 N CB 0.508 38.973 38.487 -0.037 0.000 1.025 235 N HN 0.084 nan 8.380 nan 0.000 0.514 236 N N -0.129 118.524 118.700 -0.079 0.000 2.782 236 N HA -0.128 4.604 4.740 -0.012 0.000 0.251 236 N C -1.181 174.293 175.510 -0.059 0.000 1.101 236 N CA 0.511 53.524 53.050 -0.062 0.000 0.764 236 N CB -1.282 37.169 38.487 -0.059 0.000 1.122 236 N HN 0.189 nan 8.380 nan 0.000 0.561 237 V N 1.024 120.907 119.914 -0.052 0.000 2.435 237 V HA 0.513 4.625 4.120 -0.012 0.000 0.290 237 V C 0.397 176.466 176.094 -0.042 0.000 1.030 237 V CA -0.578 61.698 62.300 -0.040 0.000 0.881 237 V CB 2.301 34.124 31.823 -0.000 0.000 0.983 237 V HN -0.049 nan 8.190 nan 0.000 0.445 238 V N 5.432 125.325 119.914 -0.034 0.000 2.398 238 V HA 0.430 4.543 4.120 -0.012 0.000 0.282 238 V C -0.099 175.988 176.094 -0.011 0.000 1.014 238 V CA -0.869 61.383 62.300 -0.078 0.000 0.838 238 V CB 1.388 33.152 31.823 -0.099 0.000 1.018 238 V HN 0.828 nan 8.190 nan 0.000 0.432 239 N N 1.929 120.601 118.700 -0.047 0.000 2.405 239 N HA 0.536 5.269 4.740 -0.012 0.000 0.269 239 N C 0.048 175.562 175.510 0.007 0.000 1.249 239 N CA -0.221 52.832 53.050 0.004 0.000 0.974 239 N CB 1.030 39.484 38.487 -0.056 0.000 1.204 239 N HN 0.564 nan 8.380 nan 0.000 0.565 240 T N 0.749 115.334 114.554 0.053 0.000 2.829 240 T HA 0.418 4.761 4.350 -0.012 0.000 0.280 240 T C -0.242 174.452 174.700 -0.010 0.000 0.999 240 T CA -0.511 61.682 62.100 0.155 0.000 0.983 240 T CB 1.013 70.100 68.868 0.364 0.000 0.968 240 T HN 0.320 nan 8.240 nan 0.000 0.446 241 M N 3.804 123.357 119.600 -0.078 0.000 2.044 241 M HA 0.489 4.962 4.480 -0.012 0.000 0.333 241 M C -0.475 175.680 176.300 -0.241 0.000 1.004 241 M CA -0.747 54.411 55.300 -0.236 0.000 0.954 241 M CB 0.597 33.009 32.600 -0.314 0.000 1.468 241 M HN 0.459 nan 8.290 nan 0.000 0.414 242 R N 4.592 124.832 120.500 -0.433 0.000 2.207 242 R HA 0.529 4.861 4.340 -0.012 0.000 0.334 242 R C -1.880 174.124 176.300 -0.494 0.000 1.013 242 R CA -0.543 55.246 56.100 -0.518 0.000 0.858 242 R CB 0.795 30.585 30.300 -0.850 0.000 1.094 242 R HN 0.644 nan 8.270 nan 0.000 0.457 243 L N 5.813 126.850 121.223 -0.310 0.000 2.305 243 L HA 0.440 4.772 4.340 -0.012 0.000 0.284 243 L C -1.013 175.796 176.870 -0.101 0.000 1.013 243 L CA -0.537 54.218 54.840 -0.142 0.000 0.819 243 L CB 1.109 43.174 42.059 0.010 0.000 1.227 243 L HN 0.627 nan 8.230 nan 0.000 0.417 244 W N 2.448 123.869 121.300 0.201 0.000 2.315 244 W HA 0.567 5.219 4.660 -0.012 0.000 0.316 244 W C 0.628 177.378 176.519 0.384 0.000 1.211 244 W CA -0.199 57.289 57.345 0.238 0.000 1.201 244 W CB 1.285 30.735 29.460 -0.017 0.000 1.184 244 W HN 0.426 nan 8.180 nan 0.000 0.544 245 S N 1.699 117.826 115.700 0.710 0.000 2.500 245 S HA 0.757 5.219 4.470 -0.012 0.000 0.301 245 S C -0.455 174.502 174.600 0.596 0.000 1.092 245 S CA -0.730 57.786 58.200 0.527 0.000 1.030 245 S CB 0.664 64.105 63.200 0.402 0.000 1.031 245 S HN 0.520 nan 8.310 nan 0.000 0.483 246 A N 4.607 127.608 122.820 0.302 0.000 2.363 246 A HA 0.663 4.976 4.320 -0.012 0.000 0.270 246 A C -0.075 177.604 177.584 0.158 0.000 1.121 246 A CA -0.207 51.909 52.037 0.132 0.000 0.800 246 A CB 0.382 19.204 19.000 -0.297 0.000 1.052 246 A HN 0.654 nan 8.150 nan 0.000 0.493 247 K N 0.782 121.293 120.400 0.185 0.000 2.464 247 K HA 0.624 4.936 4.320 -0.012 0.000 0.253 247 K C -0.734 175.934 176.600 0.115 0.000 0.933 247 K CA -0.450 55.922 56.287 0.142 0.000 0.801 247 K CB 2.362 34.960 32.500 0.164 0.000 1.271 247 K HN 0.847 nan 8.250 nan 0.000 0.430 248 A N 3.769 126.639 122.820 0.083 0.000 2.327 248 A HA 0.565 4.877 4.320 -0.012 0.000 0.283 248 A C -2.242 175.388 177.584 0.076 0.000 1.127 248 A CA -1.270 50.812 52.037 0.074 0.000 0.810 248 A CB 0.010 19.042 19.000 0.053 0.000 1.066 248 A HN 0.342 nan 8.150 nan 0.000 0.492 249 P HA 0.132 nan 4.420 nan 0.000 0.274 249 P C -0.225 177.118 177.300 0.072 0.000 1.237 249 P CA -0.393 62.755 63.100 0.080 0.000 0.793 249 P CB 0.629 32.388 31.700 0.098 0.000 0.977 250 N N 0.846 119.580 118.700 0.057 0.000 2.336 250 N HA -0.052 4.681 4.740 -0.012 0.000 0.189 250 N C 0.835 176.369 175.510 0.040 0.000 1.113 250 N CA 0.266 53.343 53.050 0.046 0.000 0.858 250 N CB 0.017 38.526 38.487 0.037 0.000 0.970 250 N HN 0.577 nan 8.380 nan 0.000 0.471 251 D N 1.049 121.473 120.400 0.041 0.000 2.237 251 D HA -0.087 4.546 4.640 -0.012 0.000 0.267 251 D C 1.466 177.779 176.300 0.022 0.000 1.226 251 D CA 0.012 54.008 54.000 -0.007 0.000 0.947 251 D CB -0.839 39.929 40.800 -0.053 0.000 0.941 251 D HN -0.112 nan 8.370 nan 0.000 0.333 252 F N 1.092 121.056 119.950 0.023 0.000 2.141 252 F HA -0.172 4.348 4.527 -0.013 0.000 0.300 252 F C 1.617 177.427 175.800 0.018 0.000 1.079 252 F CA 1.335 59.348 58.000 0.021 0.000 1.264 252 F CB -1.081 37.932 39.000 0.022 0.000 1.011 252 F HN 0.106 nan 8.300 nan 0.000 0.487 253 N N 0.472 119.297 118.700 0.208 0.000 3.115 253 N HA 0.090 4.823 4.740 -0.012 0.000 0.305 253 N C 0.825 176.378 175.510 0.071 0.000 1.305 253 N CA 0.173 53.293 53.050 0.116 0.000 1.154 253 N CB -0.055 38.481 38.487 0.083 0.000 1.454 253 N HN 0.119 nan 8.380 nan 0.000 0.551 254 L N -0.723 120.550 121.223 0.084 0.000 1.768 254 L HA -0.104 4.228 4.340 -0.012 0.000 0.209 254 L C 1.311 178.218 176.870 0.062 0.000 1.261 254 L CA 0.874 55.747 54.840 0.055 0.000 1.367 254 L CB -0.965 41.121 42.059 0.045 0.000 2.595 254 L HN 0.265 nan 8.230 nan 0.000 0.489 255 K N 0.521 120.940 120.400 0.032 0.000 2.366 255 K HA -0.002 4.310 4.320 -0.012 0.000 0.198 255 K C 0.806 177.396 176.600 -0.016 0.000 1.044 255 K CA 0.789 57.046 56.287 -0.049 0.000 0.973 255 K CB 0.208 32.581 32.500 -0.212 0.000 0.767 255 K HN 0.271 nan 8.250 nan 0.000 0.475 262 Y N 3.123 123.428 120.300 0.009 0.000 2.220 262 Y HA 0.017 4.560 4.550 -0.012 0.000 0.291 262 Y C 2.215 178.121 175.900 0.011 0.000 1.129 262 Y CA 1.623 59.729 58.100 0.009 0.000 1.161 262 Y CB 0.084 38.548 38.460 0.006 0.000 0.997 262 Y HN 0.396 nan 8.280 nan 0.000 0.522 263 I N 0.519 121.022 120.570 -0.113 0.000 2.142 263 I HA -0.290 3.873 4.170 -0.012 0.000 0.240 263 I C 2.374 178.388 176.117 -0.171 0.000 1.078 263 I CA 1.440 62.630 61.300 -0.184 0.000 1.343 263 I CB -1.372 36.626 38.000 -0.004 0.000 1.046 263 I HN 0.335 nan 8.210 nan 0.000 0.405 264 Q N 0.673 120.423 119.800 -0.083 0.000 2.135 264 Q HA -0.156 4.177 4.340 -0.012 0.000 0.204 264 Q C 2.336 178.288 176.000 -0.080 0.000 0.981 264 Q CA 1.985 57.752 55.803 -0.060 0.000 0.856 264 Q CB -0.396 28.328 28.738 -0.024 0.000 0.902 264 Q HN 0.555 nan 8.270 nan 0.000 0.425 265 A N -0.377 122.381 122.820 -0.105 0.000 1.933 265 A HA -0.127 4.186 4.320 -0.012 0.000 0.218 265 A C 2.371 179.879 177.584 -0.127 0.000 1.175 265 A CA 1.628 53.610 52.037 -0.092 0.000 0.628 265 A CB -0.528 18.426 19.000 -0.078 0.000 0.814 265 A HN 0.237 nan 8.150 nan 0.000 0.444 266 V N 0.015 119.791 119.914 -0.231 0.000 2.453 266 V HA -0.163 3.949 4.120 -0.012 0.000 0.247 266 V C 2.435 178.462 176.094 -0.111 0.000 1.048 266 V CA 1.578 63.758 62.300 -0.202 0.000 1.049 266 V CB -0.601 31.026 31.823 -0.326 0.000 0.672 266 V HN 0.558 nan 8.190 nan 0.000 0.457 267 L N -0.316 120.847 121.223 -0.100 0.000 2.217 267 L HA -0.093 4.240 4.340 -0.012 0.000 0.211 267 L C 1.773 178.622 176.870 -0.035 0.000 1.107 267 L CA 1.041 55.848 54.840 -0.055 0.000 0.783 267 L CB -0.550 41.482 42.059 -0.046 0.000 0.919 267 L HN 0.316 nan 8.230 nan 0.000 0.442 268 D N -0.023 120.354 120.400 -0.038 0.000 2.363 268 D HA -0.040 4.593 4.640 -0.012 0.000 0.226 268 D C 2.076 178.369 176.300 -0.012 0.000 1.020 268 D CA 0.361 54.348 54.000 -0.022 0.000 0.892 268 D CB 0.106 40.894 40.800 -0.020 0.000 0.900 268 D HN 0.198 nan 8.370 nan 0.000 0.531 269 R N 0.366 120.857 120.500 -0.014 0.000 2.115 269 R HA 0.029 4.361 4.340 -0.012 0.000 0.230 269 R C 0.427 176.730 176.300 0.006 0.000 1.111 269 R CA 0.520 56.621 56.100 0.001 0.000 0.976 269 R CB -0.025 30.275 30.300 0.001 0.000 0.870 269 R HN 0.064 nan 8.270 nan 0.000 0.445 270 N N 1.150 119.852 118.700 0.004 0.000 3.103 270 N HA -0.002 4.731 4.740 -0.012 0.000 0.305 270 N C 0.036 175.550 175.510 0.005 0.000 1.232 270 N CA 0.507 53.564 53.050 0.011 0.000 1.190 270 N CB 1.005 39.502 38.487 0.016 0.000 1.461 270 N HN 0.114 nan 8.380 nan 0.000 0.538 271 L N -0.548 120.674 121.223 -0.002 0.000 3.174 271 L HA 0.218 4.550 4.340 -0.012 0.000 0.313 271 L C 1.683 178.536 176.870 -0.028 0.000 1.021 271 L CA 0.465 55.298 54.840 -0.010 0.000 1.269 271 L CB -0.234 41.819 42.059 -0.009 0.000 2.173 271 L HN 0.226 nan 8.230 nan 0.000 0.591 272 A N -0.729 122.078 122.820 -0.022 0.000 2.044 272 A HA 0.079 4.391 4.320 -0.012 0.000 0.213 272 A C 1.684 179.233 177.584 -0.060 0.000 1.169 272 A CA 0.867 52.879 52.037 -0.041 0.000 0.724 272 A CB -0.129 18.875 19.000 0.007 0.000 0.840 272 A HN 0.414 nan 8.150 nan 0.000 0.463 273 E N 0.144 120.329 120.200 -0.024 0.000 2.478 273 E HA -0.014 4.328 4.350 -0.012 0.000 0.194 273 E C 0.719 177.311 176.600 -0.013 0.000 1.045 273 E CA -0.117 56.274 56.400 -0.015 0.000 0.868 273 E CB -0.029 29.687 29.700 0.025 0.000 0.885 273 E HN 0.387 nan 8.360 nan 0.000 0.505 274 N N 0.951 119.641 118.700 -0.016 0.000 2.512 274 N HA -0.020 4.712 4.740 -0.012 0.000 0.183 274 N C 1.534 177.047 175.510 0.005 0.000 1.073 274 N CA 0.468 53.527 53.050 0.015 0.000 0.911 274 N CB 0.076 38.571 38.487 0.013 0.000 0.964 274 N HN 0.246 nan 8.380 nan 0.000 0.447 275 I N 0.163 120.681 120.570 -0.088 0.000 2.264 275 I HA -0.225 3.938 4.170 -0.012 0.000 0.248 275 I C 1.273 177.355 176.117 -0.058 0.000 1.111 275 I CA 1.160 62.374 61.300 -0.144 0.000 1.382 275 I CB -0.091 37.662 38.000 -0.413 0.000 1.060 275 I HN 0.117 nan 8.210 nan 0.000 0.418 276 S N -0.654 115.017 115.700 -0.050 0.000 2.574 276 S HA 0.196 4.659 4.470 -0.012 0.000 0.242 276 S C 1.422 176.157 174.600 0.226 0.000 0.982 276 S CA -0.609 57.646 58.200 0.091 0.000 0.977 276 S CB 0.262 63.496 63.200 0.057 0.000 0.814 276 S HN 0.216 nan 8.310 nan 0.000 0.464 277 R N 1.230 121.863 120.500 0.221 0.000 2.062 277 R HA 0.257 4.589 4.340 -0.012 0.000 0.229 277 R C 0.433 176.975 176.300 0.404 0.000 1.128 277 R CA 1.236 57.504 56.100 0.279 0.000 0.960 277 R CB -0.193 30.245 30.300 0.230 0.000 0.855 277 R HN 0.391 nan 8.270 nan 0.000 0.432 278 V N 0.389 120.500 119.914 0.329 0.000 2.888 278 V HA 0.383 4.496 4.120 -0.012 0.000 0.309 278 V C -1.477 174.562 176.094 -0.091 0.000 1.114 278 V CA -1.351 61.064 62.300 0.192 0.000 0.940 278 V CB 1.806 33.677 31.823 0.080 0.000 1.021 278 V HN 0.198 nan 8.190 nan 0.000 0.426 279 L N 6.120 127.061 121.223 -0.470 0.000 2.397 279 L HA 0.512 4.845 4.340 -0.012 0.000 0.271 279 L C -0.959 175.732 176.870 -0.299 0.000 1.148 279 L CA 0.338 54.681 54.840 -0.827 0.000 0.825 279 L CB 0.771 42.257 42.059 -0.956 0.000 1.117 279 L HN 0.694 nan 8.230 nan 0.000 0.456 280 Y N 6.016 126.217 120.300 -0.165 0.000 2.496 280 Y HA 0.244 4.787 4.550 -0.013 0.000 0.334 280 Y C -1.456 174.431 175.900 -0.021 0.000 1.080 280 Y CA -1.386 56.694 58.100 -0.034 0.000 1.355 280 Y CB 0.514 38.979 38.460 0.008 0.000 1.193 280 Y HN 0.552 nan 8.280 nan 0.000 0.523 281 P HA 0.018 nan 4.420 nan 0.000 0.249 281 P C -0.930 176.494 177.300 0.207 0.000 1.593 281 P CA 0.153 63.355 63.100 0.169 0.000 0.896 281 P CB 0.020 31.910 31.700 0.317 0.000 1.581 282 N N 1.200 120.028 118.700 0.213 0.000 2.419 282 N HA 0.141 4.874 4.740 -0.012 0.000 0.277 282 N C -0.519 175.128 175.510 0.229 0.000 1.006 282 N CA 0.072 53.265 53.050 0.238 0.000 0.923 282 N CB 1.365 40.034 38.487 0.303 0.000 1.140 282 N HN 0.134 nan 8.380 nan 0.000 0.488 283 D N 2.034 122.592 120.400 0.263 0.000 2.303 283 D HA 0.114 4.746 4.640 -0.012 0.000 0.236 283 D C -0.282 176.280 176.300 0.438 0.000 1.068 283 D CA -0.168 54.024 54.000 0.319 0.000 0.830 283 D CB 0.422 41.433 40.800 0.352 0.000 1.109 283 D HN 0.352 nan 8.370 nan 0.000 0.496 284 N N 2.791 121.688 118.700 0.329 0.000 2.725 284 N HA -0.257 4.475 4.740 -0.012 0.000 0.251 284 N C -1.232 174.506 175.510 0.381 0.000 1.031 284 N CA 0.744 53.965 53.050 0.284 0.000 0.720 284 N CB -0.996 37.600 38.487 0.181 0.000 0.930 284 N HN 0.410 nan 8.380 nan 0.000 0.543 285 F N 0.604 120.646 119.950 0.154 0.000 2.604 285 F HA 0.461 4.981 4.527 -0.013 0.000 0.316 285 F C -1.247 174.624 175.800 0.119 0.000 1.136 285 F CA -1.198 56.864 58.000 0.103 0.000 0.989 285 F CB 0.928 39.946 39.000 0.030 0.000 1.258 285 F HN -0.052 nan 8.300 nan 0.000 0.451 286 F N 5.672 125.191 119.950 -0.718 0.000 2.415 286 F HA 0.536 5.056 4.527 -0.013 0.000 0.348 286 F C -0.615 174.746 175.800 -0.731 0.000 1.119 286 F CA -0.316 57.328 58.000 -0.593 0.000 1.069 286 F CB 0.925 39.623 39.000 -0.503 0.000 1.124 286 F HN 0.518 nan 8.300 nan 0.000 0.472 287 E N 3.608 123.118 120.200 -1.150 0.000 2.185 287 E HA 0.305 4.648 4.350 -0.012 0.000 0.261 287 E C -0.235 175.573 176.600 -1.320 0.000 0.879 287 E CA -0.682 55.143 56.400 -0.958 0.000 0.756 287 E CB 1.456 30.962 29.700 -0.323 0.000 1.152 287 E HN 0.935 nan 8.360 nan 0.000 0.416 288 G N 4.570 112.570 108.800 -1.333 0.000 3.316 288 G HA2 0.033 3.985 3.960 -0.012 0.000 0.255 288 G HA3 0.033 3.985 3.960 -0.012 0.000 0.255 288 G C 0.093 174.919 174.900 -0.123 0.000 0.880 288 G CA -0.205 44.342 45.100 -0.921 0.000 1.956 288 G HN 0.126 nan 8.290 nan 0.000 0.634 289 K N 0.414 120.792 120.400 -0.037 0.000 2.110 289 K HA 0.200 4.512 4.320 -0.012 0.000 0.263 289 K C 0.949 177.686 176.600 0.227 0.000 0.975 289 K CA -0.751 55.601 56.287 0.109 0.000 0.895 289 K CB 2.199 34.756 32.500 0.095 0.000 1.060 289 K HN 0.420 nan 8.250 nan 0.000 0.448 290 E N 1.425 121.722 120.200 0.162 0.000 2.110 290 E HA -0.190 4.153 4.350 -0.012 0.000 0.193 290 E C 1.453 178.081 176.600 0.046 0.000 0.988 290 E CA 0.810 57.259 56.400 0.082 0.000 0.804 290 E CB 0.183 29.928 29.700 0.076 0.000 0.745 290 E HN 0.393 nan 8.360 nan 0.000 0.458 291 L N 1.288 122.579 121.223 0.114 0.000 2.083 291 L HA -0.149 4.183 4.340 -0.012 0.000 0.209 291 L C 2.342 179.313 176.870 0.167 0.000 1.083 291 L CA 1.532 56.458 54.840 0.143 0.000 0.752 291 L CB -0.488 41.721 42.059 0.250 0.000 0.899 291 L HN 0.007 nan 8.230 nan 0.000 0.433 292 R N -0.404 120.152 120.500 0.093 0.000 2.066 292 R HA -0.113 4.219 4.340 -0.012 0.000 0.232 292 R C 2.218 178.580 176.300 0.103 0.000 1.131 292 R CA 1.743 57.840 56.100 -0.005 0.000 0.955 292 R CB -1.287 28.877 30.300 -0.227 0.000 0.851 292 R HN 0.424 nan 8.270 nan 0.000 0.432 293 L N 1.491 122.691 121.223 -0.039 0.000 2.042 293 L HA -0.146 4.187 4.340 -0.012 0.000 0.210 293 L C 1.963 178.781 176.870 -0.086 0.000 1.076 293 L CA 1.939 56.538 54.840 -0.402 0.000 0.749 293 L CB -0.451 41.069 42.059 -0.897 0.000 0.893 293 L HN 0.070 nan 8.230 nan 0.000 0.432 294 K N -1.073 119.320 120.400 -0.011 0.000 2.057 294 K HA -0.194 4.118 4.320 -0.012 0.000 0.207 294 K C 2.098 178.852 176.600 0.257 0.000 1.049 294 K CA 1.788 58.136 56.287 0.101 0.000 0.931 294 K CB -0.139 32.259 32.500 -0.170 0.000 0.714 294 K HN 0.517 nan 8.250 nan 0.000 0.440 295 Q N 0.382 120.307 119.800 0.209 0.000 2.084 295 Q HA -0.182 4.150 4.340 -0.012 0.000 0.202 295 Q C 1.898 178.100 176.000 0.337 0.000 0.978 295 Q CA 1.365 57.347 55.803 0.299 0.000 0.844 295 Q CB 0.004 28.942 28.738 0.334 0.000 0.898 295 Q HN 0.373 nan 8.270 nan 0.000 0.426 296 E N -0.194 120.159 120.200 0.255 0.000 2.110 296 E HA -0.208 4.134 4.350 -0.012 0.000 0.193 296 E C 1.656 178.371 176.600 0.192 0.000 0.988 296 E CA 1.008 57.540 56.400 0.221 0.000 0.804 296 E CB -0.075 29.735 29.700 0.182 0.000 0.745 296 E HN 0.326 nan 8.360 nan 0.000 0.458 297 Y N 0.061 120.410 120.300 0.082 0.000 2.286 297 Y HA -0.157 4.386 4.550 -0.012 0.000 0.293 297 Y C 1.887 177.818 175.900 0.052 0.000 1.124 297 Y CA 0.849 58.945 58.100 -0.006 0.000 1.178 297 Y CB -0.276 38.133 38.460 -0.085 0.000 1.010 297 Y HN 0.018 nan 8.280 nan 0.000 0.536 298 F N -0.232 119.715 119.950 -0.005 0.000 2.069 298 F HA -0.239 4.280 4.527 -0.013 0.000 0.298 298 F C 2.451 178.105 175.800 -0.244 0.000 1.113 298 F CA 2.045 59.997 58.000 -0.080 0.000 1.214 298 F CB -1.064 38.040 39.000 0.173 0.000 0.978 298 F HN -0.067 nan 8.300 nan 0.000 0.474 299 V N -0.420 119.452 119.914 -0.071 0.000 2.427 299 V HA -0.192 3.921 4.120 -0.012 0.000 0.248 299 V C 2.136 178.074 176.094 -0.259 0.000 1.051 299 V CA 1.921 64.137 62.300 -0.139 0.000 1.048 299 V CB -0.367 31.582 31.823 0.211 0.000 0.666 299 V HN 0.275 nan 8.190 nan 0.000 0.456 300 V N 0.354 120.116 119.914 -0.253 0.000 2.323 300 V HA -0.123 3.990 4.120 -0.012 0.000 0.244 300 V C 2.811 178.630 176.094 -0.459 0.000 1.041 300 V CA 1.993 64.127 62.300 -0.277 0.000 1.025 300 V CB -1.015 30.699 31.823 -0.182 0.000 0.656 300 V HN 0.632 nan 8.190 nan 0.000 0.451 301 A N -0.035 122.338 122.820 -0.746 0.000 1.877 301 A HA -0.131 4.182 4.320 -0.012 0.000 0.216 301 A C 2.399 179.607 177.584 -0.626 0.000 1.186 301 A CA 2.220 53.810 52.037 -0.745 0.000 0.620 301 A CB -0.833 17.490 19.000 -1.128 0.000 0.822 301 A HN 0.562 nan 8.150 nan 0.000 0.443 302 A N -1.131 121.165 122.820 -0.874 0.000 1.873 302 A HA -0.059 4.254 4.320 -0.012 0.000 0.215 302 A C 2.315 179.405 177.584 -0.824 0.000 1.186 302 A CA 2.260 53.614 52.037 -1.138 0.000 0.616 302 A CB -1.314 16.380 19.000 -2.177 0.000 0.823 302 A HN 0.426 nan 8.150 nan 0.000 0.442 303 T N 0.486 114.679 114.554 -0.601 0.000 2.684 303 T HA -0.123 4.219 4.350 -0.012 0.000 0.267 303 T C 1.817 176.248 174.700 -0.450 0.000 1.036 303 T CA 1.529 63.414 62.100 -0.358 0.000 1.148 303 T CB -0.399 68.254 68.868 -0.357 0.000 0.863 303 T HN 0.334 nan 8.240 nan 0.000 0.436 304 L N 0.665 121.662 121.223 -0.377 0.000 2.083 304 L HA -0.156 4.176 4.340 -0.012 0.000 0.209 304 L C 2.913 179.653 176.870 -0.218 0.000 1.083 304 L CA 1.352 56.016 54.840 -0.293 0.000 0.752 304 L CB -0.472 41.453 42.059 -0.223 0.000 0.899 304 L HN 0.353 nan 8.230 nan 0.000 0.433 305 Q N -0.658 119.018 119.800 -0.208 0.000 2.124 305 Q HA -0.241 4.091 4.340 -0.012 0.000 0.202 305 Q C 1.706 177.663 176.000 -0.072 0.000 0.977 305 Q CA 1.619 57.350 55.803 -0.119 0.000 0.850 305 Q CB -0.090 28.570 28.738 -0.129 0.000 0.901 305 Q HN 0.417 nan 8.270 nan 0.000 0.429 306 D N 0.477 120.824 120.400 -0.088 0.000 2.117 306 D HA -0.074 4.558 4.640 -0.012 0.000 0.198 306 D C 1.671 177.896 176.300 -0.125 0.000 0.982 306 D CA 0.775 54.757 54.000 -0.029 0.000 0.828 306 D CB 0.015 40.880 40.800 0.108 0.000 0.967 306 D HN 0.161 nan 8.370 nan 0.000 0.464 307 I N 0.077 120.464 120.570 -0.307 0.000 2.179 307 I HA -0.221 3.941 4.170 -0.012 0.000 0.242 307 I C 2.244 178.359 176.117 -0.002 0.000 1.088 307 I CA 0.715 61.786 61.300 -0.383 0.000 1.357 307 I CB -0.060 37.560 38.000 -0.633 0.000 1.051 307 I HN 0.013 nan 8.210 nan 0.000 0.409 308 I N 0.302 120.920 120.570 0.079 0.000 2.252 308 I HA -0.277 3.886 4.170 -0.012 0.000 0.245 308 I C 2.771 179.027 176.117 0.232 0.000 1.102 308 I CA 1.071 62.530 61.300 0.264 0.000 1.385 308 I CB -0.332 37.775 38.000 0.179 0.000 1.064 308 I HN 0.184 nan 8.210 nan 0.000 0.414 309 R N 1.143 121.712 120.500 0.115 0.000 2.083 309 R HA -0.220 4.112 4.340 -0.012 0.000 0.237 309 R C 2.453 178.811 176.300 0.096 0.000 1.137 309 R CA 1.704 57.858 56.100 0.090 0.000 0.951 309 R CB -0.298 30.033 30.300 0.052 0.000 0.851 309 R HN 0.194 nan 8.270 nan 0.000 0.434 310 R N -0.671 119.887 120.500 0.098 0.000 2.105 310 R HA -0.174 4.159 4.340 -0.012 0.000 0.239 310 R C 2.192 178.585 176.300 0.155 0.000 1.135 310 R CA 1.852 58.024 56.100 0.121 0.000 0.967 310 R CB -0.374 29.996 30.300 0.118 0.000 0.861 310 R HN 0.296 nan 8.270 nan 0.000 0.442 311 F N 1.587 121.554 119.950 0.028 0.000 2.146 311 F HA -0.115 4.404 4.527 -0.013 0.000 0.298 311 F C 1.740 177.485 175.800 -0.090 0.000 1.096 311 F CA 1.434 59.408 58.000 -0.044 0.000 1.275 311 F CB -0.031 38.971 39.000 0.003 0.000 1.008 311 F HN -0.182 nan 8.300 nan 0.000 0.480 312 K N -0.015 120.296 120.400 -0.148 0.000 2.209 312 K HA -0.110 4.202 4.320 -0.012 0.000 0.204 312 K C 2.146 178.650 176.600 -0.159 0.000 1.048 312 K CA 1.362 57.502 56.287 -0.246 0.000 0.940 312 K CB -0.221 32.264 32.500 -0.024 0.000 0.729 312 K HN 0.289 nan 8.250 nan 0.000 0.451 313 S N 0.218 115.887 115.700 -0.052 0.000 2.327 313 S HA -0.048 4.414 4.470 -0.012 0.000 0.213 313 S C 1.346 175.959 174.600 0.022 0.000 1.032 313 S CA 0.294 58.515 58.200 0.035 0.000 0.960 313 S CB -0.074 63.208 63.200 0.135 0.000 0.900 313 S HN 0.255 nan 8.310 nan 0.000 0.469 314 S N 0.809 116.528 115.700 0.031 0.000 4.101 314 S HA -0.299 4.164 4.470 -0.012 0.000 0.538 314 S C 1.056 175.656 174.600 0.001 0.000 1.093 314 S CA 2.117 60.346 58.200 0.049 0.000 3.504 314 S CB -0.569 62.708 63.200 0.128 0.000 2.218 314 S HN 0.471 nan 8.310 nan 0.000 0.541 315 K N -0.319 120.116 120.400 0.059 0.000 2.483 315 K HA 0.431 4.744 4.320 -0.012 0.000 0.206 315 K C -0.412 176.052 176.600 -0.228 0.000 1.086 315 K CA -0.091 56.117 56.287 -0.133 0.000 1.052 315 K CB 0.375 32.744 32.500 -0.218 0.000 0.904 315 K HN 0.216 nan 8.250 nan 0.000 0.557 325 N N 1.104 119.839 118.700 0.058 0.000 2.420 325 N HA 0.398 5.131 4.740 -0.012 0.000 0.249 325 N C 0.165 175.739 175.510 0.108 0.000 1.033 325 N CA -0.541 52.594 53.050 0.141 0.000 0.944 325 N CB 0.438 39.027 38.487 0.171 0.000 1.113 325 N HN 0.363 nan 8.380 nan 0.000 0.502 326 F N 0.696 120.730 119.950 0.140 0.000 2.816 326 F HA 0.026 4.545 4.527 -0.013 0.000 0.302 326 F C 1.578 177.420 175.800 0.070 0.000 1.178 326 F CA 0.176 58.224 58.000 0.079 0.000 1.421 326 F CB 0.141 39.068 39.000 -0.122 0.000 1.114 326 F HN 0.560 nan 8.300 nan 0.000 0.573 327 D N 0.233 120.769 120.400 0.227 0.000 2.218 327 D HA -0.130 4.502 4.640 -0.012 0.000 0.204 327 D C 2.119 178.521 176.300 0.170 0.000 0.976 327 D CA 1.215 55.318 54.000 0.171 0.000 0.853 327 D CB 0.124 41.014 40.800 0.150 0.000 0.939 327 D HN 0.334 nan 8.370 nan 0.000 0.481 328 A N -0.073 122.884 122.820 0.228 0.000 2.275 328 A HA 0.048 4.360 4.320 -0.012 0.000 0.212 328 A C 1.559 179.207 177.584 0.107 0.000 1.201 328 A CA -0.335 51.850 52.037 0.246 0.000 0.843 328 A CB -0.466 18.837 19.000 0.504 0.000 0.873 328 A HN 0.081 nan 8.150 nan 0.000 0.492 329 F N 2.184 121.982 119.950 -0.254 0.000 2.065 329 F HA -0.124 4.395 4.527 -0.012 0.000 0.298 329 F C -0.855 174.761 175.800 -0.307 0.000 1.112 329 F CA 2.361 59.963 58.000 -0.663 0.000 1.212 329 F CB -0.825 37.847 39.000 -0.548 0.000 0.975 329 F HN 0.192 nan 8.300 nan 0.000 0.476 330 P HA -0.081 nan 4.420 nan 0.000 0.226 330 P C 0.722 177.958 177.300 -0.107 0.000 1.153 330 P CA 1.438 64.469 63.100 -0.115 0.000 0.777 330 P CB -0.063 31.617 31.700 -0.033 0.000 0.794 331 D N -1.012 119.355 120.400 -0.056 0.000 2.323 331 D HA -0.013 4.620 4.640 -0.012 0.000 0.209 331 D C 1.542 177.839 176.300 -0.006 0.000 0.973 331 D CA 0.820 54.821 54.000 0.002 0.000 0.874 331 D CB 0.134 40.978 40.800 0.074 0.000 0.930 331 D HN 0.095 nan 8.370 nan 0.000 0.521 332 K N -0.174 120.178 120.400 -0.080 0.000 2.425 332 K HA 0.222 4.534 4.320 -0.012 0.000 0.201 332 K C 0.040 176.527 176.600 -0.188 0.000 1.128 332 K CA 0.097 56.349 56.287 -0.058 0.000 1.000 332 K CB 2.123 34.684 32.500 0.102 0.000 0.961 332 K HN -0.059 nan 8.250 nan 0.000 0.555 333 V N 0.686 120.376 119.914 -0.374 0.000 2.789 333 V HA 0.733 4.845 4.120 -0.012 0.000 0.311 333 V C -1.208 174.757 176.094 -0.215 0.000 1.073 333 V CA -1.267 60.816 62.300 -0.362 0.000 0.921 333 V CB 1.981 33.293 31.823 -0.852 0.000 1.009 333 V HN 0.110 nan 8.190 nan 0.000 0.426 334 A N 5.042 127.804 122.820 -0.097 0.000 2.402 334 A HA 0.884 5.196 4.320 -0.012 0.000 0.291 334 A C -1.209 176.371 177.584 -0.007 0.000 1.051 334 A CA -0.351 51.658 52.037 -0.045 0.000 0.716 334 A CB 1.074 20.004 19.000 -0.116 0.000 1.223 334 A HN 0.725 nan 8.150 nan 0.000 0.425 335 I N 1.887 122.502 120.570 0.076 0.000 2.389 335 I HA 0.349 4.512 4.170 -0.012 0.000 0.288 335 I C -0.279 175.912 176.117 0.124 0.000 0.999 335 I CA -0.683 60.680 61.300 0.105 0.000 1.129 335 I CB 2.029 40.076 38.000 0.079 0.000 1.288 335 I HN 0.725 nan 8.210 nan 0.000 0.444 336 Q N 5.886 125.760 119.800 0.123 0.000 2.278 336 Q HA 0.448 4.781 4.340 -0.012 0.000 0.257 336 Q C -1.447 174.559 176.000 0.009 0.000 0.928 336 Q CA -0.454 55.460 55.803 0.185 0.000 0.932 336 Q CB 1.298 30.260 28.738 0.372 0.000 1.221 336 Q HN 0.430 nan 8.270 nan 0.000 0.434 337 L N 4.349 125.618 121.223 0.077 0.000 2.255 337 L HA 0.332 4.664 4.340 -0.012 0.000 0.289 337 L C -0.268 176.642 176.870 0.067 0.000 1.046 337 L CA -0.198 54.677 54.840 0.059 0.000 0.816 337 L CB 0.587 42.727 42.059 0.136 0.000 1.197 337 L HN 0.617 nan 8.230 nan 0.000 0.427 338 N N 4.041 122.703 118.700 -0.064 0.000 2.605 338 N HA 0.136 4.869 4.740 -0.012 0.000 0.258 338 N C -0.170 175.383 175.510 0.072 0.000 1.156 338 N CA 0.493 53.566 53.050 0.038 0.000 1.008 338 N CB -0.217 38.219 38.487 -0.085 0.000 1.354 338 N HN 0.560 nan 8.380 nan 0.000 0.509 339 D N -0.555 119.980 120.400 0.225 0.000 5.019 339 D HA -0.215 4.417 4.640 -0.012 0.000 0.304 339 D C 0.481 176.853 176.300 0.119 0.000 2.360 339 D CA 1.445 55.553 54.000 0.180 0.000 1.276 339 D CB -0.589 40.048 40.800 -0.273 0.000 1.079 339 D HN 0.454 nan 8.370 nan 0.000 1.254 340 T N -2.434 112.109 114.554 -0.018 0.000 3.100 340 T HA 0.076 4.418 4.350 -0.012 0.000 0.253 340 T C 1.678 176.423 174.700 0.075 0.000 1.118 340 T CA 1.660 63.733 62.100 -0.046 0.000 1.058 340 T CB -0.524 68.294 68.868 -0.084 0.000 0.953 340 T HN 0.524 nan 8.240 nan 0.000 0.515 341 H N 2.716 121.865 119.070 0.131 0.000 2.353 341 H HA -0.028 4.521 4.556 -0.012 0.000 0.298 341 H C -0.852 174.558 175.328 0.137 0.000 1.103 341 H CA 1.203 57.346 56.048 0.158 0.000 1.293 341 H CB -1.002 28.856 29.762 0.160 0.000 1.372 341 H HN 0.450 nan 8.280 nan 0.000 0.501 342 P HA 0.063 nan 4.420 nan 0.000 0.259 342 P C 0.884 178.222 177.300 0.063 0.000 1.530 342 P CA 0.406 63.581 63.100 0.125 0.000 1.022 342 P CB 0.339 32.101 31.700 0.104 0.000 1.514 343 S N -0.104 115.625 115.700 0.049 0.000 2.419 343 S HA -0.142 4.321 4.470 -0.012 0.000 0.235 343 S C 1.713 176.313 174.600 0.000 0.000 1.019 343 S CA 0.859 59.050 58.200 -0.016 0.000 0.982 343 S CB -1.514 61.650 63.200 -0.059 0.000 0.789 343 S HN 0.149 nan 8.310 nan 0.000 0.490 344 L N 0.926 122.166 121.223 0.030 0.000 2.549 344 L HA 0.041 4.374 4.340 -0.012 0.000 0.229 344 L C 2.887 179.795 176.870 0.064 0.000 1.158 344 L CA 0.615 55.481 54.840 0.044 0.000 0.842 344 L CB -0.675 41.418 42.059 0.057 0.000 0.952 344 L HN 0.498 nan 8.230 nan 0.000 0.452 345 A N 0.286 123.118 122.820 0.021 0.000 2.019 345 A HA -0.162 4.151 4.320 -0.012 0.000 0.219 345 A C 2.161 179.738 177.584 -0.011 0.000 1.164 345 A CA 1.291 53.324 52.037 -0.008 0.000 0.644 345 A CB -0.384 18.600 19.000 -0.026 0.000 0.805 345 A HN 0.364 nan 8.150 nan 0.000 0.449 346 I N 0.327 120.895 120.570 -0.004 0.000 2.133 346 I HA -0.127 4.036 4.170 -0.012 0.000 0.238 346 I C -0.379 175.750 176.117 0.021 0.000 1.074 346 I CA 1.435 62.731 61.300 -0.007 0.000 1.342 346 I CB -0.839 37.164 38.000 0.005 0.000 1.053 346 I HN 0.228 nan 8.210 nan 0.000 0.404 347 P HA -0.168 nan 4.420 nan 0.000 0.223 347 P C 1.220 178.511 177.300 -0.016 0.000 1.151 347 P CA 1.457 64.575 63.100 0.030 0.000 0.787 347 P CB 0.043 31.781 31.700 0.064 0.000 0.788 348 E N 0.148 120.404 120.200 0.094 0.000 2.107 348 E HA -0.123 4.220 4.350 -0.012 0.000 0.191 348 E C 1.888 178.454 176.600 -0.056 0.000 0.982 348 E CA 0.508 56.977 56.400 0.115 0.000 0.809 348 E CB -1.122 28.707 29.700 0.215 0.000 0.756 348 E HN -0.028 nan 8.360 nan 0.000 0.459 349 L N 0.087 121.252 121.223 -0.096 0.000 2.093 349 L HA -0.053 4.279 4.340 -0.012 0.000 0.208 349 L C 1.965 178.680 176.870 -0.258 0.000 1.085 349 L CA 1.669 56.396 54.840 -0.187 0.000 0.755 349 L CB -0.539 41.416 42.059 -0.173 0.000 0.904 349 L HN 0.247 nan 8.230 nan 0.000 0.435 350 M N -0.845 118.617 119.600 -0.230 0.000 2.099 350 M HA -0.179 4.293 4.480 -0.012 0.000 0.262 350 M C 2.405 178.518 176.300 -0.312 0.000 1.067 350 M CA 1.467 56.574 55.300 -0.322 0.000 1.124 350 M CB -1.144 31.249 32.600 -0.346 0.000 1.353 350 M HN 0.309 nan 8.290 nan 0.000 0.410 351 R N 0.076 120.418 120.500 -0.264 0.000 2.096 351 R HA -0.149 4.183 4.340 -0.012 0.000 0.240 351 R C 2.081 178.262 176.300 -0.199 0.000 1.139 351 R CA 1.820 57.772 56.100 -0.247 0.000 0.952 351 R CB -0.268 29.836 30.300 -0.328 0.000 0.854 351 R HN 0.191 nan 8.270 nan 0.000 0.436 352 V N 1.402 121.198 119.914 -0.198 0.000 2.261 352 V HA -0.268 3.845 4.120 -0.012 0.000 0.246 352 V C 2.447 178.368 176.094 -0.287 0.000 1.047 352 V CA 1.883 64.062 62.300 -0.202 0.000 1.015 352 V CB -0.432 31.266 31.823 -0.209 0.000 0.642 352 V HN 0.356 nan 8.190 nan 0.000 0.446 353 L N -0.677 120.308 121.223 -0.397 0.000 2.046 353 L HA -0.162 4.170 4.340 -0.012 0.000 0.208 353 L C 2.390 179.064 176.870 -0.328 0.000 1.077 353 L CA 1.269 55.810 54.840 -0.499 0.000 0.747 353 L CB -0.593 41.132 42.059 -0.557 0.000 0.896 353 L HN 0.210 nan 8.230 nan 0.000 0.432 354 V N -0.708 119.050 119.914 -0.259 0.000 2.331 354 V HA -0.178 3.934 4.120 -0.012 0.000 0.242 354 V C 2.012 178.050 176.094 -0.093 0.000 1.034 354 V CA 1.616 63.825 62.300 -0.152 0.000 1.027 354 V CB -0.299 31.449 31.823 -0.124 0.000 0.667 354 V HN 0.344 nan 8.190 nan 0.000 0.457 355 D N 0.082 120.422 120.400 -0.100 0.000 2.103 355 D HA -0.049 4.583 4.640 -0.012 0.000 0.199 355 D C 2.080 178.344 176.300 -0.060 0.000 0.978 355 D CA 1.302 55.262 54.000 -0.065 0.000 0.829 355 D CB -0.036 40.721 40.800 -0.070 0.000 0.981 355 D HN 0.312 nan 8.370 nan 0.000 0.464 356 L N 0.348 121.521 121.223 -0.084 0.000 2.189 356 L HA 0.070 4.403 4.340 -0.012 0.000 0.199 356 L C 2.018 178.849 176.870 -0.065 0.000 1.074 356 L CA 0.606 55.408 54.840 -0.065 0.000 0.783 356 L CB -0.256 41.764 42.059 -0.064 0.000 0.955 356 L HN -0.154 nan 8.230 nan 0.000 0.460 357 E N 0.745 120.870 120.200 -0.124 0.000 2.371 357 E HA -0.019 4.324 4.350 -0.012 0.000 0.194 357 E C 0.111 176.669 176.600 -0.070 0.000 1.012 357 E CA 0.029 56.364 56.400 -0.109 0.000 0.860 357 E CB 0.144 29.666 29.700 -0.296 0.000 0.811 357 E HN 0.271 nan 8.360 nan 0.000 0.502 358 R N -0.047 120.406 120.500 -0.079 0.000 3.423 358 R HA -0.188 4.145 4.340 -0.012 0.000 0.271 358 R C -0.535 175.745 176.300 -0.032 0.000 1.093 358 R CA 0.227 56.304 56.100 -0.038 0.000 0.730 358 R CB -2.494 27.804 30.300 -0.003 0.000 1.190 358 R HN 0.045 nan 8.270 nan 0.000 0.437 359 L N 1.764 122.938 121.223 -0.081 0.000 2.399 359 L HA 0.209 4.541 4.340 -0.012 0.000 0.266 359 L C 1.239 178.096 176.870 -0.021 0.000 1.114 359 L CA 0.011 54.815 54.840 -0.060 0.000 0.804 359 L CB 0.600 42.573 42.059 -0.142 0.000 1.146 359 L HN 0.144 nan 8.230 nan 0.000 0.451 360 D N 0.687 121.101 120.400 0.024 0.000 2.357 360 D HA -0.128 4.505 4.640 -0.012 0.000 0.242 360 D C 0.960 177.322 176.300 0.103 0.000 1.153 360 D CA -0.497 53.552 54.000 0.082 0.000 0.918 360 D CB 0.722 41.578 40.800 0.094 0.000 1.181 360 D HN 0.591 nan 8.370 nan 0.000 0.435 361 W N 2.060 123.362 121.300 0.003 0.000 2.298 361 W HA -0.258 4.395 4.660 -0.012 0.000 0.328 361 W C 1.271 177.833 176.519 0.071 0.000 1.259 361 W CA 2.073 59.427 57.345 0.014 0.000 1.251 361 W CB -0.414 29.036 29.460 -0.018 0.000 1.161 361 W HN 0.494 nan 8.180 nan 0.000 0.466 362 D N 0.132 120.746 120.400 0.357 0.000 2.149 362 D HA -0.225 4.407 4.640 -0.012 0.000 0.194 362 D C 2.035 178.439 176.300 0.173 0.000 1.001 362 D CA 1.564 55.739 54.000 0.291 0.000 0.849 362 D CB -0.449 40.492 40.800 0.234 0.000 0.939 362 D HN 0.116 nan 8.370 nan 0.000 0.449 363 K N 0.863 121.322 120.400 0.097 0.000 2.057 363 K HA -0.002 4.311 4.320 -0.012 0.000 0.206 363 K C 2.007 178.598 176.600 -0.016 0.000 1.050 363 K CA 0.882 57.199 56.287 0.049 0.000 0.935 363 K CB -0.253 32.272 32.500 0.041 0.000 0.715 363 K HN 0.031 nan 8.250 nan 0.000 0.439 364 A N 0.800 123.566 122.820 -0.089 0.000 1.902 364 A HA -0.189 4.123 4.320 -0.012 0.000 0.217 364 A C 2.123 179.609 177.584 -0.165 0.000 1.181 364 A CA 1.276 53.188 52.037 -0.209 0.000 0.623 364 A CB -1.027 17.772 19.000 -0.335 0.000 0.818 364 A HN 0.646 nan 8.150 nan 0.000 0.443 365 W N 0.647 121.738 121.300 -0.349 0.000 2.381 365 W HA -0.155 4.497 4.660 -0.012 0.000 0.301 365 W C 1.984 178.445 176.519 -0.096 0.000 1.205 365 W CA 1.745 58.940 57.345 -0.250 0.000 1.285 365 W CB -0.083 29.287 29.460 -0.150 0.000 1.133 365 W HN 0.598 nan 8.180 nan 0.000 0.521 366 E N 0.153 120.346 120.200 -0.011 0.000 2.058 366 E HA -0.227 4.116 4.350 -0.012 0.000 0.194 366 E C 2.045 178.558 176.600 -0.145 0.000 0.997 366 E CA 1.929 58.282 56.400 -0.079 0.000 0.801 366 E CB -0.312 29.403 29.700 0.024 0.000 0.746 366 E HN 0.066 nan 8.360 nan 0.000 0.450 367 V N 0.734 120.582 119.914 -0.111 0.000 2.261 367 V HA -0.273 3.839 4.120 -0.012 0.000 0.246 367 V C 2.448 178.466 176.094 -0.126 0.000 1.047 367 V CA 2.241 64.491 62.300 -0.083 0.000 1.015 367 V CB -0.856 30.911 31.823 -0.093 0.000 0.642 367 V HN 0.377 nan 8.190 nan 0.000 0.446 368 T N 0.025 114.435 114.554 -0.240 0.000 2.652 368 T HA -0.198 4.145 4.350 -0.012 0.000 0.267 368 T C 1.935 176.442 174.700 -0.321 0.000 1.039 368 T CA 1.842 63.776 62.100 -0.277 0.000 1.153 368 T CB -0.326 68.329 68.868 -0.355 0.000 0.863 368 T HN 0.265 nan 8.240 nan 0.000 0.428 369 V N 1.148 120.738 119.914 -0.541 0.000 2.407 369 V HA -0.163 3.950 4.120 -0.012 0.000 0.248 369 V C 2.390 178.415 176.094 -0.116 0.000 1.055 369 V CA 1.623 63.661 62.300 -0.437 0.000 1.049 369 V CB -0.457 31.019 31.823 -0.578 0.000 0.662 369 V HN 0.435 nan 8.190 nan 0.000 0.455 370 K N -0.328 119.993 120.400 -0.132 0.000 2.288 370 K HA -0.106 4.207 4.320 -0.012 0.000 0.201 370 K C 2.142 178.696 176.600 -0.077 0.000 1.048 370 K CA 1.546 57.750 56.287 -0.138 0.000 0.956 370 K CB -0.116 32.305 32.500 -0.132 0.000 0.746 370 K HN 0.657 nan 8.250 nan 0.000 0.461 371 T N -2.151 112.420 114.554 0.029 0.000 3.014 371 T HA 0.099 4.441 4.350 -0.012 0.000 0.250 371 T C 0.662 175.457 174.700 0.159 0.000 1.060 371 T CA -0.318 61.830 62.100 0.080 0.000 1.040 371 T CB -0.020 68.897 68.868 0.082 0.000 0.971 371 T HN -0.002 nan 8.240 nan 0.000 0.497 372 C N 2.620 122.002 119.300 0.138 0.000 2.401 372 C HA 0.913 5.365 4.460 -0.012 0.000 0.365 372 C C 0.591 175.639 174.990 0.097 0.000 1.250 372 C CA -0.689 58.391 59.018 0.102 0.000 2.131 372 C CB 0.158 27.896 27.740 -0.004 0.000 2.445 372 C HN 0.760 nan 8.230 nan 0.000 0.550 373 A N 2.279 125.148 122.820 0.081 0.000 2.486 373 A HA 0.728 5.040 4.320 -0.012 0.000 0.300 373 A C -1.607 176.051 177.584 0.122 0.000 1.048 373 A CA -0.370 51.668 52.037 0.001 0.000 0.696 373 A CB 1.061 20.091 19.000 0.051 0.000 1.278 373 A HN 0.887 nan 8.150 nan 0.000 0.405 374 Y N 1.085 121.334 120.300 -0.084 0.000 2.409 374 Y HA 0.701 5.243 4.550 -0.012 0.000 0.343 374 Y C -0.530 175.353 175.900 -0.027 0.000 0.973 374 Y CA -0.625 57.439 58.100 -0.060 0.000 1.064 374 Y CB 2.104 40.486 38.460 -0.130 0.000 1.207 374 Y HN 0.539 nan 8.280 nan 0.000 0.452 375 T N 6.991 121.357 114.554 -0.313 0.000 2.772 375 T HA 0.228 4.570 4.350 -0.012 0.000 0.288 375 T C -0.663 173.599 174.700 -0.730 0.000 0.994 375 T CA -0.793 61.049 62.100 -0.430 0.000 0.951 375 T CB 0.194 69.038 68.868 -0.041 0.000 0.933 375 T HN 0.672 nan 8.240 nan 0.000 0.447 376 N N 1.817 120.063 118.700 -0.755 0.000 2.518 376 N HA 0.125 4.857 4.740 -0.012 0.000 0.283 376 N C 0.165 175.555 175.510 -0.200 0.000 1.119 376 N CA -0.257 52.586 53.050 -0.345 0.000 0.983 376 N CB 0.763 39.220 38.487 -0.050 0.000 1.139 376 N HN 0.658 nan 8.380 nan 0.000 0.465 377 H N 0.821 119.918 119.070 0.045 0.000 2.986 377 H HA 0.159 4.707 4.556 -0.013 0.000 0.267 377 H C -0.105 175.123 175.328 -0.165 0.000 1.072 377 H CA 0.118 56.135 56.048 -0.050 0.000 1.202 377 H CB 1.239 30.988 29.762 -0.022 0.000 1.535 377 H HN 0.523 nan 8.280 nan 0.000 0.522 378 T N 0.050 114.620 114.554 0.026 0.000 2.786 378 T HA 0.258 4.600 4.350 -0.012 0.000 0.316 378 T C 0.311 175.029 174.700 0.031 0.000 1.503 378 T CA -0.293 61.770 62.100 -0.062 0.000 1.019 378 T CB 1.302 70.129 68.868 -0.068 0.000 1.415 378 T HN -0.060 nan 8.240 nan 0.000 0.496 379 V N 1.250 121.146 119.914 -0.031 0.000 3.477 379 V HA 0.499 4.611 4.120 -0.012 0.000 0.297 379 V C 0.917 176.975 176.094 -0.061 0.000 1.433 379 V CA -0.043 62.233 62.300 -0.039 0.000 1.052 379 V CB -0.731 31.069 31.823 -0.038 0.000 0.895 379 V HN 0.788 nan 8.190 nan 0.000 0.438 380 I N -0.260 120.261 120.570 -0.082 0.000 2.556 380 I HA 0.309 4.472 4.170 -0.012 0.000 0.284 380 I C -0.676 175.434 176.117 -0.010 0.000 1.114 380 I CA -1.627 59.645 61.300 -0.047 0.000 1.418 380 I CB 0.567 38.519 38.000 -0.080 0.000 1.394 380 I HN -0.047 nan 8.210 nan 0.000 0.552 381 P HA -0.253 nan 4.420 nan 0.000 0.216 381 P C 1.140 178.442 177.300 0.002 0.000 1.153 381 P CA 1.616 64.716 63.100 -0.000 0.000 0.858 381 P CB -0.125 31.580 31.700 0.008 0.000 0.789 382 E N 0.364 120.594 120.200 0.049 0.000 2.401 382 E HA -0.093 4.249 4.350 -0.012 0.000 0.199 382 E C 1.582 178.172 176.600 -0.017 0.000 1.023 382 E CA 1.275 57.704 56.400 0.049 0.000 0.859 382 E CB -0.724 29.122 29.700 0.244 0.000 0.780 382 E HN 0.238 nan 8.360 nan 0.000 0.523 383 A N 0.982 123.818 122.820 0.026 0.000 2.220 383 A HA 0.203 4.516 4.320 -0.012 0.000 0.211 383 A C 1.164 178.737 177.584 -0.018 0.000 1.176 383 A CA -0.346 51.718 52.037 0.044 0.000 0.834 383 A CB 0.154 19.199 19.000 0.075 0.000 0.868 383 A HN 0.140 nan 8.150 nan 0.000 0.488 384 L N 1.829 123.001 121.223 -0.085 0.000 2.455 384 L HA 0.109 4.442 4.340 -0.012 0.000 0.272 384 L C -0.036 176.513 176.870 -0.534 0.000 1.174 384 L CA 0.587 55.314 54.840 -0.189 0.000 0.869 384 L CB 0.252 42.230 42.059 -0.135 0.000 1.130 384 L HN 0.405 nan 8.230 nan 0.000 0.474 385 E N 5.225 125.016 120.200 -0.681 0.000 2.105 385 E HA 0.204 4.546 4.350 -0.012 0.000 0.285 385 E C -0.477 175.512 176.600 -1.018 0.000 1.055 385 E CA -0.250 55.307 56.400 -1.406 0.000 0.843 385 E CB 0.667 29.904 29.700 -0.773 0.000 1.067 385 E HN 0.377 nan 8.360 nan 0.000 0.398 386 R N 4.067 123.856 120.500 -1.186 0.000 2.487 386 R HA 0.190 4.522 4.340 -0.012 0.000 0.288 386 R C -1.132 175.005 176.300 -0.271 0.000 1.394 386 R CA -0.604 55.212 56.100 -0.472 0.000 1.155 386 R CB 0.782 30.924 30.300 -0.263 0.000 1.156 386 R HN 0.415 nan 8.270 nan 0.000 0.553 387 W N 4.244 125.488 121.300 -0.093 0.000 2.304 387 W HA 0.229 4.882 4.660 -0.013 0.000 0.313 387 W C -1.882 174.616 176.519 -0.035 0.000 1.323 387 W CA -2.024 55.333 57.345 0.021 0.000 1.223 387 W CB 0.570 30.018 29.460 -0.020 0.000 1.237 387 W HN 0.242 nan 8.180 nan 0.000 0.535 388 P HA -0.088 nan 4.420 nan 0.000 0.265 388 P C 0.784 178.040 177.300 -0.075 0.000 1.193 388 P CA 0.183 63.285 63.100 0.004 0.000 0.765 388 P CB 0.769 32.355 31.700 -0.189 0.000 0.823 389 V N 3.372 123.294 119.914 0.013 0.000 2.332 389 V HA -0.291 3.822 4.120 -0.012 0.000 0.248 389 V C 2.155 178.254 176.094 0.009 0.000 1.055 389 V CA 2.564 64.881 62.300 0.029 0.000 1.038 389 V CB -1.777 30.126 31.823 0.133 0.000 0.651 389 V HN 0.768 nan 8.190 nan 0.000 0.450 390 H N -1.043 118.082 119.070 0.091 0.000 2.457 390 H HA -0.132 4.416 4.556 -0.012 0.000 0.297 390 H C 2.019 177.389 175.328 0.071 0.000 1.092 390 H CA 1.773 57.868 56.048 0.079 0.000 1.309 390 H CB -0.515 29.295 29.762 0.080 0.000 1.382 390 H HN 0.381 nan 8.280 nan 0.000 0.535 391 L N -0.176 120.868 121.223 -0.298 0.000 2.068 391 L HA -0.036 4.296 4.340 -0.012 0.000 0.204 391 L C 2.366 179.168 176.870 -0.114 0.000 1.076 391 L CA 0.761 55.517 54.840 -0.141 0.000 0.753 391 L CB -0.167 41.798 42.059 -0.157 0.000 0.910 391 L HN 0.321 nan 8.230 nan 0.000 0.439 392 L N -0.496 120.637 121.223 -0.149 0.000 2.093 392 L HA -0.235 4.097 4.340 -0.012 0.000 0.208 392 L C 2.507 179.298 176.870 -0.132 0.000 1.085 392 L CA 1.153 55.879 54.840 -0.191 0.000 0.755 392 L CB -0.373 41.567 42.059 -0.199 0.000 0.904 392 L HN 0.340 nan 8.230 nan 0.000 0.435 393 E N -0.517 119.649 120.200 -0.056 0.000 2.118 393 E HA -0.219 4.124 4.350 -0.012 0.000 0.195 393 E C 1.849 178.473 176.600 0.039 0.000 0.992 393 E CA 1.820 58.221 56.400 0.001 0.000 0.804 393 E CB 0.163 29.906 29.700 0.071 0.000 0.741 393 E HN 0.410 nan 8.360 nan 0.000 0.458 394 T N 0.551 115.149 114.554 0.073 0.000 2.939 394 T HA -0.042 4.301 4.350 -0.012 0.000 0.254 394 T C 1.649 176.456 174.700 0.179 0.000 1.041 394 T CA 0.501 62.696 62.100 0.158 0.000 1.142 394 T CB -0.039 68.952 68.868 0.205 0.000 0.874 394 T HN 0.061 nan 8.240 nan 0.000 0.452 395 L N 0.118 121.347 121.223 0.010 0.000 2.127 395 L HA 0.371 4.703 4.340 -0.012 0.000 0.203 395 L C 0.237 177.022 176.870 -0.142 0.000 1.080 395 L CA 1.541 56.269 54.840 -0.186 0.000 0.768 395 L CB 0.084 41.993 42.059 -0.251 0.000 0.924 395 L HN 0.158 nan 8.230 nan 0.000 0.444 396 L N 0.624 121.719 121.223 -0.213 0.000 2.502 396 L HA 0.296 4.629 4.340 -0.012 0.000 0.249 396 L C -1.689 174.973 176.870 -0.347 0.000 1.446 396 L CA -1.029 53.583 54.840 -0.380 0.000 0.887 396 L CB 0.982 42.642 42.059 -0.665 0.000 1.126 396 L HN -0.084 nan 8.230 nan 0.000 0.509 397 P HA -0.226 nan 4.420 nan 0.000 0.215 397 P C 1.494 178.584 177.300 -0.350 0.000 1.157 397 P CA 1.327 64.284 63.100 -0.238 0.000 0.874 397 P CB 0.360 31.993 31.700 -0.110 0.000 0.790 398 R N -0.655 119.455 120.500 -0.651 0.000 2.115 398 R HA -0.137 4.196 4.340 -0.012 0.000 0.230 398 R C 2.339 178.336 176.300 -0.506 0.000 1.111 398 R CA 1.434 57.178 56.100 -0.592 0.000 0.976 398 R CB -1.212 28.598 30.300 -0.818 0.000 0.870 398 R HN 0.231 nan 8.270 nan 0.000 0.445 399 H N -0.355 118.397 119.070 -0.531 0.000 2.423 399 H HA -0.043 4.506 4.556 -0.013 0.000 0.297 399 H C 1.738 176.886 175.328 -0.300 0.000 1.075 399 H CA 1.559 57.382 56.048 -0.375 0.000 1.342 399 H CB -0.026 29.482 29.762 -0.424 0.000 1.395 399 H HN 0.106 nan 8.280 nan 0.000 0.530 400 L N 0.414 121.503 121.223 -0.224 0.000 2.056 400 L HA -0.224 4.109 4.340 -0.012 0.000 0.207 400 L C 1.830 178.487 176.870 -0.356 0.000 1.078 400 L CA 1.575 56.209 54.840 -0.342 0.000 0.749 400 L CB -0.285 41.587 42.059 -0.311 0.000 0.901 400 L HN 0.419 nan 8.230 nan 0.000 0.433 401 Q N -0.336 119.365 119.800 -0.165 0.000 2.124 401 Q HA -0.226 4.106 4.340 -0.012 0.000 0.202 401 Q C 2.167 178.172 176.000 0.010 0.000 0.977 401 Q CA 1.573 57.370 55.803 -0.009 0.000 0.850 401 Q CB -0.035 28.708 28.738 0.008 0.000 0.901 401 Q HN 0.554 nan 8.270 nan 0.000 0.429 402 I N 0.185 120.741 120.570 -0.024 0.000 2.353 402 I HA -0.245 3.917 4.170 -0.012 0.000 0.248 402 I C 2.033 178.213 176.117 0.106 0.000 1.119 402 I CA 0.900 62.270 61.300 0.118 0.000 1.417 402 I CB -0.044 37.969 38.000 0.021 0.000 1.078 402 I HN 0.203 nan 8.210 nan 0.000 0.421 403 I N -0.569 119.981 120.570 -0.034 0.000 2.315 403 I HA -0.295 3.868 4.170 -0.012 0.000 0.248 403 I C 2.309 178.434 176.117 0.015 0.000 1.117 403 I CA 1.250 62.522 61.300 -0.046 0.000 1.404 403 I CB -0.301 37.605 38.000 -0.157 0.000 1.071 403 I HN 0.159 nan 8.210 nan 0.000 0.419 404 Y N 0.885 121.184 120.300 -0.002 0.000 2.200 404 Y HA -0.249 4.294 4.550 -0.012 0.000 0.290 404 Y C 2.591 178.451 175.900 -0.065 0.000 1.137 404 Y CA 1.463 59.550 58.100 -0.022 0.000 1.163 404 Y CB -0.715 37.725 38.460 -0.033 0.000 0.988 404 Y HN 0.213 nan 8.280 nan 0.000 0.518 405 E N 0.355 120.588 120.200 0.054 0.000 2.106 405 E HA -0.126 4.216 4.350 -0.012 0.000 0.192 405 E C 1.993 178.489 176.600 -0.172 0.000 0.984 405 E CA 1.160 57.452 56.400 -0.180 0.000 0.806 405 E CB -0.551 28.885 29.700 -0.441 0.000 0.750 405 E HN 0.478 nan 8.360 nan 0.000 0.458 406 I N 0.619 121.187 120.570 -0.003 0.000 2.252 406 I HA -0.242 3.921 4.170 -0.012 0.000 0.245 406 I C 2.252 178.361 176.117 -0.012 0.000 1.102 406 I CA 1.259 62.515 61.300 -0.072 0.000 1.385 406 I CB -0.337 37.624 38.000 -0.066 0.000 1.064 406 I HN 0.211 nan 8.210 nan 0.000 0.414 407 N N 0.702 119.449 118.700 0.078 0.000 2.069 407 N HA -0.258 4.474 4.740 -0.012 0.000 0.191 407 N C 1.868 177.459 175.510 0.135 0.000 1.031 407 N CA 1.609 54.761 53.050 0.171 0.000 0.852 407 N CB -0.100 38.506 38.487 0.199 0.000 1.018 407 N HN 0.265 nan 8.380 nan 0.000 0.423 408 Q N -0.215 119.608 119.800 0.038 0.000 2.045 408 Q HA -0.123 4.210 4.340 -0.012 0.000 0.206 408 Q C 2.056 178.032 176.000 -0.040 0.000 0.991 408 Q CA 1.694 57.481 55.803 -0.026 0.000 0.851 408 Q CB -0.003 28.676 28.738 -0.099 0.000 0.911 408 Q HN 0.413 nan 8.270 nan 0.000 0.418 409 R N -0.870 119.583 120.500 -0.077 0.000 2.115 409 R HA -0.112 4.220 4.340 -0.012 0.000 0.230 409 R C 2.117 178.438 176.300 0.034 0.000 1.111 409 R CA 1.047 57.103 56.100 -0.074 0.000 0.976 409 R CB -0.310 29.892 30.300 -0.163 0.000 0.870 409 R HN 0.258 nan 8.270 nan 0.000 0.445 410 F N 1.694 121.613 119.950 -0.052 0.000 2.113 410 F HA -0.064 4.455 4.527 -0.013 0.000 0.297 410 F C 1.904 177.725 175.800 0.034 0.000 1.103 410 F CA 1.215 59.233 58.000 0.030 0.000 1.248 410 F CB -0.268 38.779 39.000 0.079 0.000 0.999 410 F HN -0.144 nan 8.300 nan 0.000 0.475 411 L N 0.191 121.383 121.223 -0.053 0.000 2.083 411 L HA -0.268 4.065 4.340 -0.012 0.000 0.209 411 L C 2.012 178.793 176.870 -0.150 0.000 1.083 411 L CA 1.803 56.551 54.840 -0.153 0.000 0.752 411 L CB -0.959 41.090 42.059 -0.016 0.000 0.899 411 L HN 0.266 nan 8.230 nan 0.000 0.433 412 N N -0.417 118.226 118.700 -0.095 0.000 2.289 412 N HA -0.189 4.543 4.740 -0.012 0.000 0.184 412 N C 1.936 177.389 175.510 -0.095 0.000 1.016 412 N CA 0.656 53.658 53.050 -0.081 0.000 0.872 412 N CB 0.023 38.471 38.487 -0.064 0.000 0.973 412 N HN 0.246 nan 8.380 nan 0.000 0.433 413 R N 0.422 120.845 120.500 -0.128 0.000 2.073 413 R HA -0.008 4.324 4.340 -0.012 0.000 0.229 413 R C 2.074 178.277 176.300 -0.161 0.000 1.120 413 R CA 0.666 56.694 56.100 -0.121 0.000 0.967 413 R CB -0.056 30.184 30.300 -0.101 0.000 0.862 413 R HN 0.024 nan 8.270 nan 0.000 0.436 414 V N 0.724 120.489 119.914 -0.248 0.000 2.261 414 V HA -0.248 3.864 4.120 -0.012 0.000 0.246 414 V C 2.368 178.456 176.094 -0.009 0.000 1.047 414 V CA 2.017 64.242 62.300 -0.126 0.000 1.015 414 V CB -0.800 30.878 31.823 -0.241 0.000 0.642 414 V HN 0.461 nan 8.190 nan 0.000 0.446 415 A N 0.145 122.932 122.820 -0.054 0.000 1.917 415 A HA -0.192 4.120 4.320 -0.012 0.000 0.219 415 A C 2.358 179.913 177.584 -0.048 0.000 1.182 415 A CA 2.326 54.347 52.037 -0.027 0.000 0.633 415 A CB -0.829 18.146 19.000 -0.042 0.000 0.819 415 A HN 0.630 nan 8.150 nan 0.000 0.448 416 A N -0.968 121.804 122.820 -0.080 0.000 2.067 416 A HA 0.312 4.624 4.320 -0.012 0.000 0.219 416 A C 2.254 179.739 177.584 -0.166 0.000 1.158 416 A CA 1.746 53.724 52.037 -0.099 0.000 0.661 416 A CB -0.541 18.409 19.000 -0.084 0.000 0.801 416 A HN 0.979 nan 8.150 nan 0.000 0.452 417 A N -1.495 121.174 122.820 -0.251 0.000 1.956 417 A HA 0.461 4.774 4.320 -0.012 0.000 0.212 417 A C 0.406 177.488 177.584 -0.835 0.000 1.188 417 A CA 0.357 52.055 52.037 -0.564 0.000 0.675 417 A CB 0.038 18.608 19.000 -0.718 0.000 0.845 417 A HN 0.399 nan 8.150 nan 0.000 0.455 418 F N 0.487 120.389 119.950 -0.080 0.000 2.531 418 F HA 0.359 4.878 4.527 -0.013 0.000 0.333 418 F C -2.749 173.013 175.800 -0.064 0.000 1.292 418 F CA -2.928 55.029 58.000 -0.070 0.000 1.184 418 F CB 0.604 39.554 39.000 -0.083 0.000 1.426 418 F HN -0.063 nan 8.300 nan 0.000 0.559 419 P HA 0.119 nan 4.420 nan 0.000 0.261 419 P C 1.051 178.368 177.300 0.029 0.000 1.183 419 P CA 1.204 64.310 63.100 0.011 0.000 0.761 419 P CB 0.728 32.417 31.700 -0.019 0.000 0.785 420 G N 2.699 111.509 108.800 0.018 0.000 2.205 420 G HA2 -0.256 3.697 3.960 -0.012 0.000 0.261 420 G HA3 -0.256 3.697 3.960 -0.012 0.000 0.261 420 G C 0.367 175.276 174.900 0.016 0.000 0.980 420 G CA 0.055 45.163 45.100 0.012 0.000 0.632 420 G HN 0.594 nan 8.290 nan 0.000 0.533 421 D N 0.940 121.361 120.400 0.034 0.000 2.551 421 D HA 0.390 5.023 4.640 -0.012 0.000 0.223 421 D C 1.576 177.868 176.300 -0.014 0.000 1.144 421 D CA 0.387 54.393 54.000 0.009 0.000 1.025 421 D CB 0.590 41.396 40.800 0.011 0.000 1.085 421 D HN 0.125 nan 8.370 nan 0.000 0.506 422 V N 2.828 122.734 119.914 -0.013 0.000 2.515 422 V HA -0.202 3.910 4.120 -0.012 0.000 0.250 422 V C 1.691 177.772 176.094 -0.023 0.000 1.058 422 V CA 1.843 64.133 62.300 -0.016 0.000 1.064 422 V CB 0.026 31.843 31.823 -0.011 0.000 0.675 422 V HN 0.378 nan 8.190 nan 0.000 0.461 423 D N -0.356 120.027 120.400 -0.029 0.000 2.183 423 D HA -0.179 4.453 4.640 -0.012 0.000 0.203 423 D C 2.317 178.588 176.300 -0.048 0.000 0.969 423 D CA 1.205 55.187 54.000 -0.029 0.000 0.842 423 D CB -0.199 40.584 40.800 -0.028 0.000 0.957 423 D HN 0.409 nan 8.370 nan 0.000 0.484 424 R N -0.381 120.067 120.500 -0.087 0.000 2.096 424 R HA -0.121 4.211 4.340 -0.012 0.000 0.235 424 R C 1.860 178.086 176.300 -0.122 0.000 1.127 424 R CA 0.796 56.806 56.100 -0.149 0.000 0.968 424 R CB -0.255 29.898 30.300 -0.244 0.000 0.861 424 R HN 0.154 nan 8.270 nan 0.000 0.440 425 L N 1.434 122.610 121.223 -0.078 0.000 1.989 425 L HA -0.187 4.145 4.340 -0.012 0.000 0.211 425 L C 2.579 179.444 176.870 -0.008 0.000 1.071 425 L CA 2.200 57.009 54.840 -0.052 0.000 0.749 425 L CB -0.806 41.234 42.059 -0.031 0.000 0.890 425 L HN 0.297 nan 8.230 nan 0.000 0.431 426 R N -1.098 119.407 120.500 0.008 0.000 2.115 426 R HA -0.093 4.239 4.340 -0.012 0.000 0.230 426 R C 2.198 178.546 176.300 0.079 0.000 1.111 426 R CA 1.175 57.302 56.100 0.045 0.000 0.976 426 R CB -0.628 29.693 30.300 0.036 0.000 0.870 426 R HN 0.186 nan 8.270 nan 0.000 0.445 427 R N 0.162 120.691 120.500 0.048 0.000 2.092 427 R HA 0.095 4.427 4.340 -0.012 0.000 0.231 427 R C 2.049 178.430 176.300 0.134 0.000 1.119 427 R CA 1.802 57.954 56.100 0.087 0.000 0.970 427 R CB -0.156 30.156 30.300 0.019 0.000 0.864 427 R HN 0.329 nan 8.270 nan 0.000 0.440 428 M N 0.067 119.669 119.600 0.003 0.000 2.541 428 M HA 0.031 4.503 4.480 -0.012 0.000 0.252 428 M C 0.833 177.284 176.300 0.251 0.000 1.125 428 M CA 0.028 55.284 55.300 -0.074 0.000 1.091 428 M CB 0.434 32.822 32.600 -0.353 0.000 1.420 428 M HN -0.083 nan 8.290 nan 0.000 0.486 429 S N 0.977 116.838 115.700 0.269 0.000 2.558 429 S HA 0.036 4.499 4.470 -0.012 0.000 0.287 429 S C 1.119 175.992 174.600 0.455 0.000 1.321 429 S CA -0.159 58.234 58.200 0.321 0.000 1.048 429 S CB 0.533 63.861 63.200 0.213 0.000 0.844 429 S HN 0.362 nan 8.310 nan 0.000 0.512 430 L N 3.915 125.356 121.223 0.362 0.000 2.418 430 L HA 0.134 4.466 4.340 -0.012 0.000 0.218 430 L C 0.112 177.100 176.870 0.196 0.000 1.125 430 L CA 0.249 55.261 54.840 0.287 0.000 0.835 430 L CB -0.332 41.835 42.059 0.181 0.000 0.953 430 L HN 0.381 nan 8.230 nan 0.000 0.454 431 V N 0.636 120.678 119.914 0.214 0.000 2.370 431 V HA 0.208 4.320 4.120 -0.012 0.000 0.283 431 V C -0.002 176.185 176.094 0.155 0.000 1.023 431 V CA -0.635 61.778 62.300 0.187 0.000 0.857 431 V CB 1.566 33.533 31.823 0.241 0.000 0.985 431 V HN 0.161 nan 8.190 nan 0.000 0.443 432 E N 3.140 123.411 120.200 0.118 0.000 2.146 432 E HA 0.415 4.757 4.350 -0.012 0.000 0.282 432 E C -0.653 176.001 176.600 0.089 0.000 0.989 432 E CA -0.540 55.918 56.400 0.097 0.000 0.799 432 E CB 1.912 31.651 29.700 0.065 0.000 1.088 432 E HN 0.610 nan 8.360 nan 0.000 0.397 433 E N 1.001 121.248 120.200 0.079 0.000 2.314 433 E HA 0.634 4.977 4.350 -0.012 0.000 0.262 433 E C 0.201 176.836 176.600 0.059 0.000 1.093 433 E CA 0.384 56.824 56.400 0.067 0.000 0.908 433 E CB 1.419 31.151 29.700 0.054 0.000 1.091 433 E HN 0.644 nan 8.360 nan 0.000 0.425 434 G N -0.217 108.615 108.800 0.054 0.000 2.278 434 G HA2 0.227 4.180 3.960 -0.012 0.000 0.265 434 G HA3 0.227 4.180 3.960 -0.012 0.000 0.265 434 G C 0.551 175.481 174.900 0.051 0.000 1.329 434 G CA 0.295 45.424 45.100 0.048 0.000 1.017 434 G HN 0.671 nan 8.290 nan 0.000 0.472 435 A N -0.872 121.977 122.820 0.047 0.000 1.879 435 A HA 0.207 4.520 4.320 -0.012 0.000 0.222 435 A C 1.878 179.500 177.584 0.063 0.000 1.368 435 A CA 4.738 56.804 52.037 0.048 0.000 0.707 435 A CB -1.283 17.746 19.000 0.047 0.000 0.846 435 A HN 2.461 nan 8.150 nan 0.000 0.468 436 V N -2.590 117.373 119.914 0.083 0.000 2.656 436 V HA 0.571 4.684 4.120 -0.012 0.000 0.307 436 V C -0.553 175.612 176.094 0.118 0.000 1.051 436 V CA -1.331 61.040 62.300 0.118 0.000 0.893 436 V CB 1.702 33.627 31.823 0.170 0.000 0.999 436 V HN 0.431 nan 8.190 nan 0.000 0.426 437 K N 4.471 124.950 120.400 0.131 0.000 2.382 437 K HA 0.472 4.784 4.320 -0.012 0.000 0.275 437 K C -0.391 176.284 176.600 0.126 0.000 1.009 437 K CA -0.171 56.191 56.287 0.125 0.000 0.970 437 K CB 0.861 33.447 32.500 0.144 0.000 0.934 437 K HN 0.740 nan 8.250 nan 0.000 0.479 438 R N 1.137 121.699 120.500 0.104 0.000 2.888 438 R HA 0.508 4.841 4.340 -0.012 0.000 0.264 438 R C -0.656 175.689 176.300 0.076 0.000 1.045 438 R CA -1.033 55.118 56.100 0.086 0.000 0.962 438 R CB 1.290 31.622 30.300 0.054 0.000 1.210 438 R HN 0.375 nan 8.270 nan 0.000 0.479 439 I N 1.761 122.370 120.570 0.064 0.000 2.378 439 I HA 0.182 4.344 4.170 -0.012 0.000 0.291 439 I C -0.402 175.704 176.117 -0.018 0.000 0.992 439 I CA -0.764 60.560 61.300 0.041 0.000 1.154 439 I CB 1.409 39.429 38.000 0.033 0.000 1.315 439 I HN 0.503 nan 8.210 nan 0.000 0.448 440 N N 7.115 125.774 118.700 -0.068 0.000 2.439 440 N HA 0.095 4.828 4.740 -0.012 0.000 0.243 440 N C 0.882 176.286 175.510 -0.177 0.000 1.088 440 N CA -0.356 52.570 53.050 -0.206 0.000 0.940 440 N CB 0.890 39.121 38.487 -0.426 0.000 1.180 440 N HN 0.377 nan 8.380 nan 0.000 0.505 441 M N 2.186 121.689 119.600 -0.161 0.000 2.202 441 M HA -0.105 4.368 4.480 -0.012 0.000 0.262 441 M C 1.940 178.092 176.300 -0.247 0.000 1.063 441 M CA 0.833 56.050 55.300 -0.137 0.000 1.097 441 M CB -1.579 30.981 32.600 -0.067 0.000 1.382 441 M HN 0.591 nan 8.290 nan 0.000 0.413 442 A N -0.667 121.995 122.820 -0.264 0.000 1.930 442 A HA -0.174 4.138 4.320 -0.012 0.000 0.217 442 A C 1.995 179.347 177.584 -0.387 0.000 1.175 442 A CA 1.500 53.339 52.037 -0.330 0.000 0.627 442 A CB -1.117 17.866 19.000 -0.029 0.000 0.815 442 A HN 0.611 nan 8.150 nan 0.000 0.443 443 H N -1.103 117.750 119.070 -0.361 0.000 2.389 443 H HA -0.010 4.538 4.556 -0.013 0.000 0.299 443 H C 2.108 177.219 175.328 -0.362 0.000 1.081 443 H CA 0.884 56.682 56.048 -0.416 0.000 1.345 443 H CB -0.036 29.692 29.762 -0.056 0.000 1.393 443 H HN 0.366 nan 8.280 nan 0.000 0.520 444 L N 0.354 121.496 121.223 -0.135 0.000 2.017 444 L HA -0.230 4.103 4.340 -0.012 0.000 0.208 444 L C 2.207 178.950 176.870 -0.213 0.000 1.073 444 L CA 1.306 56.067 54.840 -0.132 0.000 0.745 444 L CB -0.378 41.626 42.059 -0.092 0.000 0.894 444 L HN 0.453 nan 8.230 nan 0.000 0.432 445 C N -0.074 118.998 119.300 -0.380 0.000 2.429 445 C HA -0.153 4.299 4.460 -0.012 0.000 0.277 445 C C 2.659 177.416 174.990 -0.388 0.000 1.262 445 C CA 0.497 59.221 59.018 -0.491 0.000 1.733 445 C CB -0.715 26.363 27.740 -1.104 0.000 2.010 445 C HN 0.506 nan 8.230 nan 0.000 0.483 446 I N 1.354 121.652 120.570 -0.454 0.000 2.252 446 I HA -0.186 3.976 4.170 -0.012 0.000 0.245 446 I C 2.712 178.687 176.117 -0.237 0.000 1.102 446 I CA 1.619 62.692 61.300 -0.379 0.000 1.385 446 I CB -0.455 37.184 38.000 -0.603 0.000 1.064 446 I HN 0.265 nan 8.210 nan 0.000 0.414 447 A N 0.394 123.052 122.820 -0.270 0.000 1.930 447 A HA -0.056 4.257 4.320 -0.012 0.000 0.217 447 A C 2.201 179.831 177.584 0.076 0.000 1.175 447 A CA 1.739 53.659 52.037 -0.195 0.000 0.627 447 A CB -1.079 17.615 19.000 -0.510 0.000 0.815 447 A HN 0.462 nan 8.150 nan 0.000 0.443 448 G N -0.967 107.824 108.800 -0.014 0.000 3.371 448 G HA2 0.421 4.374 3.960 -0.012 0.000 0.248 448 G HA3 0.421 4.374 3.960 -0.012 0.000 0.248 448 G C 0.055 174.800 174.900 -0.258 0.000 1.161 448 G CA 0.476 45.448 45.100 -0.213 0.000 0.796 448 G HN 0.350 nan 8.290 nan 0.000 0.539 449 S N -0.407 115.196 115.700 -0.162 0.000 2.566 449 S HA 0.339 4.802 4.470 -0.012 0.000 0.298 449 S C 0.614 175.170 174.600 -0.072 0.000 1.083 449 S CA -0.730 57.402 58.200 -0.113 0.000 0.978 449 S CB 1.308 64.446 63.200 -0.103 0.000 1.073 449 S HN 0.493 nan 8.310 nan 0.000 0.491 450 H N -0.366 118.670 119.070 -0.057 0.000 2.553 450 H HA 0.546 5.094 4.556 -0.013 0.000 0.265 450 H C 0.039 175.360 175.328 -0.011 0.000 0.964 450 H CA 0.160 56.202 56.048 -0.011 0.000 1.156 450 H CB 0.141 29.909 29.762 0.010 0.000 1.411 450 H HN 0.537 nan 8.280 nan 0.000 0.558 451 A N 0.967 123.509 122.820 -0.465 0.000 2.517 451 A HA 0.544 4.857 4.320 -0.012 0.000 0.297 451 A C -1.473 175.917 177.584 -0.324 0.000 1.050 451 A CA -0.562 51.245 52.037 -0.384 0.000 0.694 451 A CB 2.079 20.812 19.000 -0.445 0.000 1.277 451 A HN 0.092 nan 8.150 nan 0.000 0.400 452 V N 4.105 123.794 119.914 -0.376 0.000 2.588 452 V HA 0.581 4.693 4.120 -0.012 0.000 0.304 452 V C -0.649 175.263 176.094 -0.304 0.000 1.042 452 V CA -0.743 61.329 62.300 -0.381 0.000 0.877 452 V CB 1.873 33.331 31.823 -0.609 0.000 0.996 452 V HN 1.021 nan 8.190 nan 0.000 0.425 453 N N 2.877 121.411 118.700 -0.277 0.000 2.229 453 N HA 0.589 5.321 4.740 -0.012 0.000 0.298 453 N C -0.297 175.115 175.510 -0.163 0.000 1.114 453 N CA -0.404 52.528 53.050 -0.196 0.000 0.776 453 N CB 2.872 41.220 38.487 -0.231 0.000 1.501 453 N HN 0.655 nan 8.380 nan 0.000 0.474 454 G N -0.708 108.031 108.800 -0.103 0.000 2.522 454 G HA2 0.408 4.360 3.960 -0.012 0.000 0.304 454 G HA3 0.408 4.360 3.960 -0.012 0.000 0.304 454 G C 0.798 175.763 174.900 0.107 0.000 1.210 454 G CA -0.530 44.554 45.100 -0.026 0.000 0.960 454 G HN 0.636 nan 8.290 nan 0.000 0.497 455 V N -3.430 116.675 119.914 0.317 0.000 3.376 455 V HA 0.694 4.807 4.120 -0.012 0.000 0.313 455 V C 0.560 176.737 176.094 0.139 0.000 1.393 455 V CA 0.327 62.715 62.300 0.146 0.000 1.125 455 V CB -0.837 31.015 31.823 0.048 0.000 1.037 455 V HN 1.336 nan 8.190 nan 0.000 0.440 456 A N -0.207 122.708 122.820 0.159 0.000 2.599 456 A HA 0.627 4.939 4.320 -0.012 0.000 0.294 456 A C 0.667 178.300 177.584 0.082 0.000 1.055 456 A CA -0.165 51.940 52.037 0.113 0.000 0.683 456 A CB 1.178 20.236 19.000 0.097 0.000 1.278 456 A HN 0.016 nan 8.150 nan 0.000 0.412 457 R N 0.788 121.316 120.500 0.047 0.000 2.096 457 R HA -0.171 4.162 4.340 -0.012 0.000 0.240 457 R C 1.745 178.040 176.300 -0.008 0.000 1.139 457 R CA 2.320 58.425 56.100 0.008 0.000 0.952 457 R CB -0.218 30.083 30.300 0.001 0.000 0.854 457 R HN 0.836 nan 8.270 nan 0.000 0.436 458 I N 0.114 120.689 120.570 0.009 0.000 2.315 458 I HA -0.278 3.885 4.170 -0.012 0.000 0.248 458 I C 2.326 178.448 176.117 0.007 0.000 1.117 458 I CA 1.850 63.147 61.300 -0.005 0.000 1.404 458 I CB -0.263 37.734 38.000 -0.004 0.000 1.071 458 I HN 0.318 nan 8.210 nan 0.000 0.419 459 H N 0.465 119.507 119.070 -0.047 0.000 2.353 459 H HA -0.124 4.424 4.556 -0.013 0.000 0.300 459 H C 2.235 177.528 175.328 -0.058 0.000 1.090 459 H CA 2.184 58.200 56.048 -0.054 0.000 1.327 459 H CB -0.313 29.424 29.762 -0.042 0.000 1.383 459 H HN 0.264 nan 8.280 nan 0.000 0.508 460 S N 0.161 115.719 115.700 -0.237 0.000 2.382 460 S HA -0.125 4.338 4.470 -0.012 0.000 0.228 460 S C 1.921 176.387 174.600 -0.222 0.000 1.027 460 S CA 1.224 59.268 58.200 -0.260 0.000 0.991 460 S CB -0.078 63.049 63.200 -0.121 0.000 0.823 460 S HN 0.480 nan 8.310 nan 0.000 0.469 461 E N 1.086 121.183 120.200 -0.172 0.000 2.072 461 E HA -0.008 4.334 4.350 -0.012 0.000 0.191 461 E C 2.029 178.508 176.600 -0.201 0.000 0.985 461 E CA 0.638 56.930 56.400 -0.181 0.000 0.801 461 E CB -0.418 29.208 29.700 -0.122 0.000 0.750 461 E HN 0.488 nan 8.360 nan 0.000 0.452 462 I N 0.981 121.448 120.570 -0.172 0.000 2.208 462 I HA -0.296 3.867 4.170 -0.012 0.000 0.245 462 I C 2.398 178.383 176.117 -0.219 0.000 1.097 462 I CA 0.854 62.057 61.300 -0.160 0.000 1.363 462 I CB -0.196 37.742 38.000 -0.104 0.000 1.051 462 I HN 0.071 nan 8.210 nan 0.000 0.413 463 L N 0.203 121.258 121.223 -0.281 0.000 2.042 463 L HA -0.263 4.070 4.340 -0.012 0.000 0.210 463 L C 2.507 179.242 176.870 -0.225 0.000 1.076 463 L CA 1.613 56.289 54.840 -0.274 0.000 0.749 463 L CB -0.593 41.374 42.059 -0.153 0.000 0.893 463 L HN 0.225 nan 8.230 nan 0.000 0.432 464 K N -0.123 120.078 120.400 -0.331 0.000 2.155 464 K HA -0.119 4.194 4.320 -0.012 0.000 0.203 464 K C 2.068 178.459 176.600 -0.348 0.000 1.052 464 K CA 0.973 56.926 56.287 -0.557 0.000 0.948 464 K CB 0.067 32.004 32.500 -0.939 0.000 0.728 464 K HN 0.258 nan 8.250 nan 0.000 0.448 465 K N -0.303 119.950 120.400 -0.245 0.000 2.262 465 K HA 0.023 4.335 4.320 -0.012 0.000 0.200 465 K C 1.233 177.773 176.600 -0.101 0.000 1.049 465 K CA 0.900 57.100 56.287 -0.145 0.000 0.979 465 K CB 0.505 32.930 32.500 -0.124 0.000 0.773 465 K HN 0.069 nan 8.250 nan 0.000 0.474 466 T N 0.380 114.860 114.554 -0.124 0.000 2.995 466 T HA 0.065 4.408 4.350 -0.012 0.000 0.170 466 T C 1.476 176.116 174.700 -0.101 0.000 0.844 466 T CA -0.421 61.618 62.100 -0.100 0.000 1.137 466 T CB -0.473 68.328 68.868 -0.112 0.000 2.193 466 T HN -0.093 nan 8.240 nan 0.000 0.384 467 I N 1.101 121.544 120.570 -0.211 0.000 2.121 467 I HA -0.199 3.963 4.170 -0.012 0.000 0.243 467 I C 0.612 176.649 176.117 -0.133 0.000 1.047 467 I CA 1.915 63.021 61.300 -0.324 0.000 1.308 467 I CB -0.148 37.412 38.000 -0.733 0.000 1.015 467 I HN 0.302 nan 8.210 nan 0.000 0.410 468 F N 0.476 120.500 119.950 0.123 0.000 2.850 468 F HA 0.284 4.803 4.527 -0.013 0.000 0.306 468 F C 1.653 177.541 175.800 0.145 0.000 1.162 468 F CA -0.623 57.527 58.000 0.250 0.000 1.327 468 F CB -0.992 38.172 39.000 0.273 0.000 0.953 468 F HN -0.030 nan 8.300 nan 0.000 0.507 469 K N 0.738 121.250 120.400 0.187 0.000 2.032 469 K HA -0.191 4.121 4.320 -0.012 0.000 0.209 469 K C 1.222 177.875 176.600 0.088 0.000 1.048 469 K CA 2.039 58.378 56.287 0.086 0.000 0.927 469 K CB 0.025 32.540 32.500 0.025 0.000 0.712 469 K HN 0.145 nan 8.250 nan 0.000 0.441 470 D N -0.071 120.352 120.400 0.039 0.000 2.149 470 D HA -0.164 4.468 4.640 -0.012 0.000 0.198 470 D C 1.827 178.024 176.300 -0.171 0.000 0.990 470 D CA 1.202 55.094 54.000 -0.180 0.000 0.839 470 D CB -0.317 40.276 40.800 -0.344 0.000 0.948 470 D HN 0.224 nan 8.370 nan 0.000 0.460 471 F N -0.216 119.810 119.950 0.127 0.000 2.206 471 F HA -0.132 4.388 4.527 -0.013 0.000 0.298 471 F C 2.318 178.262 175.800 0.239 0.000 1.090 471 F CA 0.475 58.632 58.000 0.262 0.000 1.323 471 F CB -0.640 38.603 39.000 0.404 0.000 1.028 471 F HN -0.035 nan 8.300 nan 0.000 0.492 472 Y N 1.331 121.592 120.300 -0.066 0.000 2.242 472 Y HA -0.178 4.364 4.550 -0.012 0.000 0.291 472 Y C 2.104 177.977 175.900 -0.045 0.000 1.137 472 Y CA 1.567 59.431 58.100 -0.394 0.000 1.181 472 Y CB -0.612 37.447 38.460 -0.668 0.000 0.989 472 Y HN 0.134 nan 8.280 nan 0.000 0.527 473 E N -0.091 120.032 120.200 -0.128 0.000 2.106 473 E HA -0.192 4.151 4.350 -0.012 0.000 0.192 473 E C 2.271 178.909 176.600 0.063 0.000 0.984 473 E CA 1.011 57.349 56.400 -0.102 0.000 0.806 473 E CB -0.229 29.455 29.700 -0.026 0.000 0.750 473 E HN 0.441 nan 8.360 nan 0.000 0.458 474 L N 0.824 122.133 121.223 0.144 0.000 2.027 474 L HA -0.101 4.231 4.340 -0.012 0.000 0.206 474 L C 0.152 177.108 176.870 0.143 0.000 1.074 474 L CA 1.519 56.490 54.840 0.218 0.000 0.745 474 L CB 0.093 42.282 42.059 0.217 0.000 0.898 474 L HN 0.084 nan 8.230 nan 0.000 0.433 475 E N -0.126 120.150 120.200 0.127 0.000 2.923 475 E HA 0.168 4.510 4.350 -0.012 0.000 0.266 475 E C -1.994 174.549 176.600 -0.095 0.000 1.157 475 E CA -1.400 54.977 56.400 -0.040 0.000 0.795 475 E CB 1.008 30.647 29.700 -0.102 0.000 1.454 475 E HN 0.178 nan 8.360 nan 0.000 0.386 476 P HA -0.250 nan 4.420 nan 0.000 0.219 476 P C 1.194 178.596 177.300 0.170 0.000 1.146 476 P CA 1.398 64.415 63.100 -0.139 0.000 0.808 476 P CB -0.080 31.423 31.700 -0.329 0.000 0.779 477 H N 0.072 119.249 119.070 0.179 0.000 2.491 477 H HA 0.068 4.616 4.556 -0.013 0.000 0.290 477 H C 1.573 176.997 175.328 0.161 0.000 1.050 477 H CA 0.785 56.928 56.048 0.158 0.000 1.309 477 H CB -0.599 29.226 29.762 0.106 0.000 1.392 477 H HN 0.141 nan 8.280 nan 0.000 0.554 478 K N 0.352 120.666 120.400 -0.144 0.000 2.103 478 K HA 0.006 4.318 4.320 -0.012 0.000 0.204 478 K C -0.090 176.384 176.600 -0.210 0.000 1.052 478 K CA 0.368 56.554 56.287 -0.168 0.000 0.945 478 K CB 0.026 32.298 32.500 -0.380 0.000 0.722 478 K HN 0.079 nan 8.250 nan 0.000 0.443 479 F N 1.921 121.909 119.950 0.063 0.000 2.467 479 F HA 0.127 4.647 4.527 -0.013 0.000 0.362 479 F C 0.539 176.348 175.800 0.015 0.000 1.090 479 F CA 0.075 58.111 58.000 0.059 0.000 1.202 479 F CB 0.676 39.762 39.000 0.143 0.000 1.113 479 F HN -0.029 nan 8.300 nan 0.000 0.541 480 Q N 1.692 121.525 119.800 0.055 0.000 2.882 480 Q HA 0.421 4.754 4.340 -0.012 0.000 0.315 480 Q C -1.212 174.747 176.000 -0.067 0.000 1.004 480 Q CA -1.330 54.460 55.803 -0.022 0.000 0.777 480 Q CB 2.980 31.654 28.738 -0.106 0.000 1.506 480 Q HN 0.641 nan 8.270 nan 0.000 0.489 481 N N 0.277 118.916 118.700 -0.102 0.000 2.229 481 N HA 0.300 5.032 4.740 -0.012 0.000 0.298 481 N C -1.629 173.782 175.510 -0.166 0.000 1.114 481 N CA -0.429 52.557 53.050 -0.105 0.000 0.776 481 N CB 1.430 39.879 38.487 -0.063 0.000 1.501 481 N HN 0.305 nan 8.380 nan 0.000 0.474 482 K N 2.476 122.786 120.400 -0.151 0.000 2.764 482 K HA 0.183 4.496 4.320 -0.012 0.000 0.239 482 K C -1.103 175.509 176.600 0.019 0.000 1.048 482 K CA -0.469 55.705 56.287 -0.188 0.000 1.057 482 K CB 1.212 33.376 32.500 -0.560 0.000 1.251 482 K HN 0.558 nan 8.250 nan 0.000 0.524 483 T N 2.122 116.707 114.554 0.051 0.000 2.867 483 T HA 0.069 4.412 4.350 -0.012 0.000 0.297 483 T C 0.846 175.678 174.700 0.219 0.000 0.989 483 T CA 0.305 62.486 62.100 0.135 0.000 1.159 483 T CB 0.256 69.209 68.868 0.141 0.000 0.928 483 T HN 0.351 nan 8.240 nan 0.000 0.538 484 N N 0.735 119.581 118.700 0.244 0.000 2.231 484 N HA 0.374 5.106 4.740 -0.012 0.000 0.223 484 N C 0.520 176.215 175.510 0.309 0.000 1.329 484 N CA -0.042 53.184 53.050 0.293 0.000 0.889 484 N CB 0.333 38.931 38.487 0.185 0.000 1.125 484 N HN 0.773 nan 8.380 nan 0.000 0.447 485 G N -0.815 108.170 108.800 0.309 0.000 2.608 485 G HA2 0.578 4.531 3.960 -0.012 0.000 0.291 485 G HA3 0.578 4.531 3.960 -0.012 0.000 0.291 485 G C -1.528 173.504 174.900 0.220 0.000 1.425 485 G CA -0.762 44.509 45.100 0.285 0.000 0.787 485 G HN 0.599 nan 8.290 nan 0.000 0.484 486 I N -2.415 118.273 120.570 0.196 0.000 2.934 486 I HA 0.769 4.932 4.170 -0.012 0.000 0.306 486 I C -0.142 176.139 176.117 0.273 0.000 1.110 486 I CA -1.022 60.390 61.300 0.186 0.000 1.019 486 I CB 2.440 40.432 38.000 -0.013 0.000 1.227 486 I HN 0.494 nan 8.210 nan 0.000 0.434 487 T N 3.925 118.705 114.554 0.376 0.000 2.761 487 T HA 0.364 4.706 4.350 -0.012 0.000 0.296 487 T C -1.382 173.441 174.700 0.205 0.000 0.934 487 T CA -1.645 60.593 62.100 0.230 0.000 1.091 487 T CB 0.753 69.698 68.868 0.128 0.000 0.896 487 T HN 0.628 nan 8.240 nan 0.000 0.515 488 P HA -0.013 nan 4.420 nan 0.000 0.226 488 P C 1.190 178.466 177.300 -0.040 0.000 1.153 488 P CA 0.513 63.654 63.100 0.068 0.000 0.777 488 P CB 0.360 32.081 31.700 0.035 0.000 0.794 489 R N 0.385 120.810 120.500 -0.125 0.000 2.070 489 R HA -0.025 4.308 4.340 -0.012 0.000 0.227 489 R C 2.748 178.935 176.300 -0.188 0.000 1.147 489 R CA 1.671 57.654 56.100 -0.195 0.000 0.924 489 R CB -1.187 28.998 30.300 -0.190 0.000 0.827 489 R HN 0.062 nan 8.270 nan 0.000 0.431 490 R N -0.771 119.560 120.500 -0.282 0.000 2.075 490 R HA -0.105 4.228 4.340 -0.012 0.000 0.232 490 R C 1.144 177.107 176.300 -0.561 0.000 1.126 490 R CA 1.509 57.300 56.100 -0.515 0.000 0.963 490 R CB -0.200 29.616 30.300 -0.807 0.000 0.858 490 R HN 0.302 nan 8.270 nan 0.000 0.435 491 W N 0.179 121.435 121.300 -0.072 0.000 3.377 491 W HA 0.125 4.777 4.660 -0.013 0.000 0.277 491 W C 0.928 177.416 176.519 -0.052 0.000 1.311 491 W CA -0.657 56.645 57.345 -0.072 0.000 1.703 491 W CB 0.371 29.794 29.460 -0.061 0.000 1.095 491 W HN 0.252 nan 8.180 nan 0.000 0.715 492 L N -2.562 118.717 121.223 0.093 0.000 2.208 492 L HA 0.141 4.473 4.340 -0.012 0.000 0.133 492 L C 1.730 178.616 176.870 0.027 0.000 1.385 492 L CA 0.653 55.543 54.840 0.082 0.000 1.030 492 L CB -0.853 41.279 42.059 0.122 0.000 2.075 492 L HN -0.275 nan 8.230 nan 0.000 0.482 493 V N 1.345 121.255 119.914 -0.007 0.000 2.332 493 V HA -0.275 3.837 4.120 -0.012 0.000 0.248 493 V C 2.427 178.495 176.094 -0.042 0.000 1.055 493 V CA 2.527 64.812 62.300 -0.025 0.000 1.038 493 V CB -0.706 31.072 31.823 -0.074 0.000 0.651 493 V HN 0.509 nan 8.190 nan 0.000 0.450 494 L N 0.372 121.542 121.223 -0.088 0.000 2.023 494 L HA -0.159 4.174 4.340 -0.012 0.000 0.205 494 L C 2.518 179.330 176.870 -0.098 0.000 1.073 494 L CA 2.232 57.004 54.840 -0.113 0.000 0.745 494 L CB -0.246 41.696 42.059 -0.195 0.000 0.900 494 L HN 0.638 nan 8.230 nan 0.000 0.435 495 C N -1.768 117.470 119.300 -0.104 0.000 2.514 495 C HA 0.176 4.628 4.460 -0.012 0.000 0.271 495 C C 1.192 176.167 174.990 -0.025 0.000 1.399 495 C CA -0.304 58.672 59.018 -0.071 0.000 1.765 495 C CB -1.050 26.653 27.740 -0.061 0.000 1.893 495 C HN 0.563 nan 8.230 nan 0.000 0.531 496 N N 1.151 119.846 118.700 -0.007 0.000 2.733 496 N HA 0.281 5.013 4.740 -0.012 0.000 0.271 496 N C -1.804 173.717 175.510 0.018 0.000 1.720 496 N CA -1.524 51.532 53.050 0.010 0.000 0.803 496 N CB 0.807 39.308 38.487 0.023 0.000 1.208 496 N HN 0.251 nan 8.380 nan 0.000 0.498 497 P HA -0.041 nan 4.420 nan 0.000 0.218 497 P C 1.404 178.718 177.300 0.024 0.000 1.149 497 P CA 0.889 63.999 63.100 0.017 0.000 0.817 497 P CB 0.255 31.959 31.700 0.006 0.000 0.785 498 G N 0.627 109.436 108.800 0.015 0.000 2.440 498 G HA2 -0.248 3.704 3.960 -0.012 0.000 0.218 498 G HA3 -0.248 3.704 3.960 -0.012 0.000 0.218 498 G C 1.522 176.426 174.900 0.007 0.000 1.154 498 G CA 0.720 45.826 45.100 0.009 0.000 0.767 498 G HN 0.268 nan 8.290 nan 0.000 0.552 499 L N 1.083 122.312 121.223 0.010 0.000 2.109 499 L HA 0.327 4.659 4.340 -0.012 0.000 0.207 499 L C 3.009 179.904 176.870 0.041 0.000 1.086 499 L CA 1.927 56.769 54.840 0.004 0.000 0.760 499 L CB -0.598 41.464 42.059 0.005 0.000 0.910 499 L HN 0.207 nan 8.230 nan 0.000 0.437 500 A N -0.734 122.133 122.820 0.079 0.000 1.972 500 A HA -0.225 4.088 4.320 -0.012 0.000 0.219 500 A C 2.204 179.881 177.584 0.154 0.000 1.169 500 A CA 1.664 53.799 52.037 0.163 0.000 0.635 500 A CB -0.612 18.482 19.000 0.157 0.000 0.810 500 A HN 0.545 nan 8.150 nan 0.000 0.446 501 E N 0.944 121.197 120.200 0.088 0.000 2.028 501 E HA -0.177 4.166 4.350 -0.012 0.000 0.191 501 E C 1.868 178.510 176.600 0.069 0.000 0.988 501 E CA 1.728 58.172 56.400 0.072 0.000 0.799 501 E CB -0.542 29.183 29.700 0.041 0.000 0.755 501 E HN 0.724 nan 8.360 nan 0.000 0.447 502 I N -1.594 119.008 120.570 0.054 0.000 2.454 502 I HA -0.155 4.008 4.170 -0.012 0.000 0.254 502 I C 2.184 178.385 176.117 0.139 0.000 1.156 502 I CA 1.178 62.525 61.300 0.079 0.000 1.433 502 I CB -0.390 37.628 38.000 0.030 0.000 1.082 502 I HN 0.039 nan 8.210 nan 0.000 0.432 503 I N 1.988 122.615 120.570 0.094 0.000 2.233 503 I HA -0.179 3.983 4.170 -0.012 0.000 0.243 503 I C 3.001 179.085 176.117 -0.055 0.000 1.093 503 I CA 1.327 62.621 61.300 -0.009 0.000 1.380 503 I CB -0.410 37.466 38.000 -0.207 0.000 1.067 503 I HN 0.290 nan 8.210 nan 0.000 0.413 504 A N 0.157 123.031 122.820 0.090 0.000 1.972 504 A HA -0.213 4.099 4.320 -0.012 0.000 0.219 504 A C 2.162 179.782 177.584 0.059 0.000 1.169 504 A CA 1.480 53.615 52.037 0.164 0.000 0.635 504 A CB -0.540 18.589 19.000 0.215 0.000 0.810 504 A HN 0.423 nan 8.150 nan 0.000 0.446 505 E N -0.637 119.579 120.200 0.027 0.000 2.153 505 E HA -0.183 4.160 4.350 -0.012 0.000 0.194 505 E C 2.251 178.816 176.600 -0.057 0.000 0.988 505 E CA 1.118 57.518 56.400 0.000 0.000 0.811 505 E CB 0.001 29.708 29.700 0.012 0.000 0.746 505 E HN 0.530 nan 8.360 nan 0.000 0.466 506 R N -0.012 120.394 120.500 -0.156 0.000 2.103 506 R HA 0.078 4.410 4.340 -0.012 0.000 0.212 506 R C 2.330 178.530 176.300 -0.166 0.000 1.107 506 R CA 0.848 56.767 56.100 -0.302 0.000 1.025 506 R CB -0.288 29.485 30.300 -0.878 0.000 0.929 506 R HN 0.277 nan 8.270 nan 0.000 0.456 507 I N -2.391 118.098 120.570 -0.135 0.000 4.082 507 I HA 0.434 4.597 4.170 -0.012 0.000 0.337 507 I C 0.558 176.712 176.117 0.063 0.000 1.352 507 I CA 0.124 61.408 61.300 -0.027 0.000 1.097 507 I CB 0.811 38.779 38.000 -0.054 0.000 1.048 507 I HN 0.221 nan 8.210 nan 0.000 0.393 508 G N 2.021 110.871 108.800 0.084 0.000 2.627 508 G HA2 -0.209 3.743 3.960 -0.012 0.000 0.214 508 G HA3 -0.209 3.743 3.960 -0.012 0.000 0.214 508 G C -0.022 175.019 174.900 0.236 0.000 1.331 508 G CA 0.190 45.365 45.100 0.126 0.000 0.891 508 G HN 0.422 nan 8.290 nan 0.000 0.539 509 E N -0.465 119.819 120.200 0.140 0.000 2.473 509 E HA 0.112 4.455 4.350 -0.012 0.000 0.204 509 E C 1.761 178.304 176.600 -0.095 0.000 0.994 509 E CA -0.053 56.357 56.400 0.017 0.000 0.945 509 E CB 0.377 30.078 29.700 0.002 0.000 0.990 509 E HN 0.442 nan 8.360 nan 0.000 0.493 510 E N 0.659 120.880 120.200 0.035 0.000 2.331 510 E HA -0.181 4.161 4.350 -0.012 0.000 0.199 510 E C 1.505 178.108 176.600 0.006 0.000 1.008 510 E CA 0.830 57.245 56.400 0.024 0.000 0.843 510 E CB 0.020 29.756 29.700 0.060 0.000 0.761 510 E HN 0.522 nan 8.360 nan 0.000 0.507 511 Y N -1.257 119.048 120.300 0.009 0.000 2.509 511 Y HA -0.035 4.509 4.550 -0.011 0.000 0.293 511 Y C 1.841 177.719 175.900 -0.037 0.000 1.133 511 Y CA 0.301 58.398 58.100 -0.005 0.000 1.283 511 Y CB -0.348 38.112 38.460 0.001 0.000 1.001 511 Y HN -0.093 nan 8.280 nan 0.000 0.555 512 I N 1.171 121.289 120.570 -0.752 0.000 2.454 512 I HA -0.199 3.963 4.170 -0.012 0.000 0.254 512 I C 1.417 177.292 176.117 -0.403 0.000 1.156 512 I CA 1.683 62.584 61.300 -0.664 0.000 1.433 512 I CB -1.263 36.246 38.000 -0.818 0.000 1.082 512 I HN 0.509 nan 8.210 nan 0.000 0.432 513 S N -1.544 114.025 115.700 -0.217 0.000 2.749 513 S HA 0.213 4.675 4.470 -0.012 0.000 0.246 513 S C 0.217 174.805 174.600 -0.019 0.000 1.023 513 S CA -0.437 57.709 58.200 -0.090 0.000 1.012 513 S CB 0.471 63.686 63.200 0.025 0.000 0.942 513 S HN 0.278 nan 8.310 nan 0.000 0.531 514 D N 0.963 121.360 120.400 -0.005 0.000 2.978 514 D HA 0.246 4.879 4.640 -0.012 0.000 0.268 514 D C 0.688 177.038 176.300 0.084 0.000 1.252 514 D CA -0.336 53.687 54.000 0.037 0.000 0.771 514 D CB -0.091 40.736 40.800 0.044 0.000 1.361 514 D HN 0.098 nan 8.370 nan 0.000 0.558 515 L N 0.395 121.668 121.223 0.083 0.000 2.263 515 L HA -0.141 4.192 4.340 -0.012 0.000 0.216 515 L C 1.150 178.073 176.870 0.089 0.000 1.111 515 L CA 1.192 56.108 54.840 0.128 0.000 0.773 515 L CB 0.049 42.171 42.059 0.105 0.000 0.906 515 L HN 0.309 nan 8.230 nan 0.000 0.439 516 D N -0.253 120.177 120.400 0.049 0.000 2.182 516 D HA -0.223 4.410 4.640 -0.012 0.000 0.201 516 D C 2.043 178.364 176.300 0.034 0.000 0.986 516 D CA 0.977 54.991 54.000 0.022 0.000 0.847 516 D CB -0.025 40.778 40.800 0.004 0.000 0.942 516 D HN 0.476 nan 8.370 nan 0.000 0.467 517 Q N -0.237 119.601 119.800 0.063 0.000 2.443 517 Q HA -0.125 4.207 4.340 -0.012 0.000 0.213 517 Q C 1.761 177.779 176.000 0.029 0.000 0.982 517 Q CA 0.141 55.981 55.803 0.063 0.000 0.894 517 Q CB 0.044 28.849 28.738 0.112 0.000 0.947 517 Q HN 0.191 nan 8.270 nan 0.000 0.480 518 L N 0.607 121.840 121.223 0.017 0.000 2.265 518 L HA -0.158 4.175 4.340 -0.012 0.000 0.215 518 L C 2.057 178.919 176.870 -0.012 0.000 1.117 518 L CA 1.473 56.287 54.840 -0.043 0.000 0.782 518 L CB -0.463 41.584 42.059 -0.019 0.000 0.914 518 L HN 0.137 nan 8.230 nan 0.000 0.441 519 R N -0.390 120.114 120.500 0.007 0.000 2.127 519 R HA -0.187 4.146 4.340 -0.012 0.000 0.238 519 R C 1.949 178.257 176.300 0.012 0.000 1.134 519 R CA 1.115 57.222 56.100 0.011 0.000 0.975 519 R CB -0.232 30.071 30.300 0.005 0.000 0.865 519 R HN 0.417 nan 8.270 nan 0.000 0.447 520 K N 0.597 121.005 120.400 0.013 0.000 2.360 520 K HA -0.107 4.205 4.320 -0.012 0.000 0.201 520 K C 1.829 178.475 176.600 0.077 0.000 1.046 520 K CA 0.744 57.050 56.287 0.030 0.000 0.940 520 K CB -0.077 32.447 32.500 0.041 0.000 0.748 520 K HN 0.251 nan 8.250 nan 0.000 0.465 521 L N 0.573 121.825 121.223 0.048 0.000 2.465 521 L HA -0.115 4.217 4.340 -0.012 0.000 0.224 521 L C 1.820 178.755 176.870 0.108 0.000 1.145 521 L CA 0.006 54.888 54.840 0.070 0.000 0.834 521 L CB -0.167 41.898 42.059 0.010 0.000 0.944 521 L HN 0.137 nan 8.230 nan 0.000 0.451 522 L N 0.033 121.288 121.223 0.054 0.000 2.083 522 L HA -0.186 4.147 4.340 -0.012 0.000 0.209 522 L C 2.745 179.602 176.870 -0.020 0.000 1.083 522 L CA 2.007 56.863 54.840 0.027 0.000 0.752 522 L CB -0.941 41.120 42.059 0.005 0.000 0.899 522 L HN 0.343 nan 8.230 nan 0.000 0.433 523 S N -2.546 113.093 115.700 -0.101 0.000 2.603 523 S HA -0.110 4.352 4.470 -0.012 0.000 0.229 523 S C 1.288 175.629 174.600 -0.431 0.000 0.972 523 S CA 0.394 58.434 58.200 -0.268 0.000 0.935 523 S CB -0.576 62.403 63.200 -0.369 0.000 0.769 523 S HN 0.479 nan 8.310 nan 0.000 0.536 524 Y N -0.337 119.884 120.300 -0.131 0.000 2.531 524 Y HA 0.432 4.980 4.550 -0.004 0.000 0.249 524 Y C 1.923 177.830 175.900 0.012 0.000 1.168 524 Y CA -0.550 57.459 58.100 -0.151 0.000 1.226 524 Y CB 0.172 38.328 38.460 -0.506 0.000 1.177 524 Y HN 0.246 nan 8.280 nan 0.000 0.527 525 V N 0.418 120.405 119.914 0.121 0.000 2.867 525 V HA -0.217 3.895 4.120 -0.012 0.000 0.260 525 V C 0.908 177.066 176.094 0.106 0.000 1.099 525 V CA 2.238 64.618 62.300 0.133 0.000 1.122 525 V CB -0.029 31.838 31.823 0.073 0.000 0.708 525 V HN 0.371 nan 8.190 nan 0.000 0.490 526 D N -1.038 119.405 120.400 0.072 0.000 2.433 526 D HA 0.118 4.750 4.640 -0.012 0.000 0.211 526 D C 0.380 176.724 176.300 0.074 0.000 1.114 526 D CA -0.082 53.951 54.000 0.056 0.000 0.837 526 D CB 0.140 40.950 40.800 0.017 0.000 0.984 526 D HN 0.428 nan 8.370 nan 0.000 0.505 527 D N 1.601 122.073 120.400 0.120 0.000 2.401 527 D HA -0.053 4.580 4.640 -0.012 0.000 0.254 527 D C 1.229 177.628 176.300 0.166 0.000 1.192 527 D CA 0.140 54.232 54.000 0.154 0.000 0.885 527 D CB 1.560 42.516 40.800 0.259 0.000 1.147 527 D HN -0.225 nan 8.370 nan 0.000 0.478 528 E N 3.334 123.602 120.200 0.113 0.000 2.106 528 E HA -0.112 4.230 4.350 -0.012 0.000 0.192 528 E C 1.662 178.321 176.600 0.099 0.000 0.984 528 E CA 1.312 57.766 56.400 0.089 0.000 0.806 528 E CB -0.185 29.550 29.700 0.059 0.000 0.750 528 E HN 0.590 nan 8.360 nan 0.000 0.458 529 A N -0.233 122.661 122.820 0.123 0.000 1.873 529 A HA -0.130 4.183 4.320 -0.012 0.000 0.215 529 A C 2.183 179.860 177.584 0.154 0.000 1.186 529 A CA 1.208 53.316 52.037 0.117 0.000 0.616 529 A CB -0.902 18.169 19.000 0.117 0.000 0.823 529 A HN 0.341 nan 8.150 nan 0.000 0.442 530 F N 0.632 120.601 119.950 0.032 0.000 2.069 530 F HA -0.170 4.351 4.527 -0.010 0.000 0.298 530 F C 2.061 177.872 175.800 0.017 0.000 1.113 530 F CA 1.519 59.526 58.000 0.011 0.000 1.214 530 F CB -0.447 38.573 39.000 0.034 0.000 0.978 530 F HN 0.170 nan 8.300 nan 0.000 0.474 531 I N -0.134 120.505 120.570 0.114 0.000 2.194 531 I HA -0.383 3.780 4.170 -0.012 0.000 0.246 531 I C 2.647 178.733 176.117 -0.052 0.000 1.093 531 I CA 1.859 63.165 61.300 0.010 0.000 1.355 531 I CB -0.450 37.590 38.000 0.066 0.000 1.046 531 I HN 0.087 nan 8.210 nan 0.000 0.413 532 R N 0.650 121.138 120.500 -0.019 0.000 2.092 532 R HA -0.176 4.156 4.340 -0.012 0.000 0.231 532 R C 1.838 178.096 176.300 -0.070 0.000 1.119 532 R CA 1.714 57.795 56.100 -0.031 0.000 0.970 532 R CB -0.077 30.221 30.300 -0.003 0.000 0.864 532 R HN 0.293 nan 8.270 nan 0.000 0.440 533 D N -0.418 119.917 120.400 -0.108 0.000 2.091 533 D HA -0.103 4.530 4.640 -0.012 0.000 0.199 533 D C 1.941 178.106 176.300 -0.225 0.000 0.980 533 D CA 1.229 55.141 54.000 -0.146 0.000 0.831 533 D CB -0.259 40.457 40.800 -0.140 0.000 0.987 533 D HN 0.036 nan 8.370 nan 0.000 0.460 534 V N 1.571 121.247 119.914 -0.397 0.000 2.324 534 V HA -0.283 3.829 4.120 -0.012 0.000 0.250 534 V C 2.476 178.471 176.094 -0.164 0.000 1.060 534 V CA 2.019 64.102 62.300 -0.362 0.000 1.042 534 V CB -0.790 30.759 31.823 -0.457 0.000 0.650 534 V HN 0.201 nan 8.190 nan 0.000 0.450 535 A N -0.860 121.889 122.820 -0.119 0.000 1.969 535 A HA -0.213 4.099 4.320 -0.012 0.000 0.218 535 A C 2.353 179.903 177.584 -0.056 0.000 1.169 535 A CA 1.897 53.901 52.037 -0.056 0.000 0.635 535 A CB -0.405 18.570 19.000 -0.043 0.000 0.810 535 A HN 0.531 nan 8.150 nan 0.000 0.445 536 K N 0.238 120.597 120.400 -0.067 0.000 2.031 536 K HA -0.100 4.213 4.320 -0.012 0.000 0.205 536 K C 1.989 178.563 176.600 -0.043 0.000 1.049 536 K CA 1.673 57.930 56.287 -0.050 0.000 0.939 536 K CB -0.334 32.138 32.500 -0.046 0.000 0.717 536 K HN 0.415 nan 8.250 nan 0.000 0.438 537 V N -0.061 119.820 119.914 -0.054 0.000 2.407 537 V HA -0.182 3.930 4.120 -0.012 0.000 0.248 537 V C 2.211 178.291 176.094 -0.023 0.000 1.055 537 V CA 2.045 64.323 62.300 -0.037 0.000 1.049 537 V CB -0.655 31.140 31.823 -0.046 0.000 0.662 537 V HN 0.198 nan 8.190 nan 0.000 0.455 538 K N 0.661 121.045 120.400 -0.026 0.000 2.097 538 K HA -0.186 4.126 4.320 -0.012 0.000 0.205 538 K C 2.256 178.838 176.600 -0.030 0.000 1.050 538 K CA 2.049 58.331 56.287 -0.009 0.000 0.938 538 K CB -0.604 31.906 32.500 0.016 0.000 0.718 538 K HN 0.559 nan 8.250 nan 0.000 0.442 539 Q N 1.007 120.783 119.800 -0.040 0.000 2.119 539 Q HA -0.064 4.269 4.340 -0.012 0.000 0.201 539 Q C 1.615 177.598 176.000 -0.029 0.000 0.972 539 Q CA 1.818 57.588 55.803 -0.055 0.000 0.847 539 Q CB -0.049 28.659 28.738 -0.050 0.000 0.903 539 Q HN 0.518 nan 8.270 nan 0.000 0.433 540 E N -0.558 119.636 120.200 -0.010 0.000 2.106 540 E HA -0.135 4.207 4.350 -0.012 0.000 0.192 540 E C 1.644 178.266 176.600 0.037 0.000 0.984 540 E CA 0.935 57.342 56.400 0.012 0.000 0.806 540 E CB 0.021 29.727 29.700 0.009 0.000 0.750 540 E HN 0.384 nan 8.360 nan 0.000 0.458 541 N N 0.859 119.579 118.700 0.033 0.000 2.166 541 N HA -0.132 4.600 4.740 -0.012 0.000 0.186 541 N C 1.433 177.018 175.510 0.126 0.000 1.019 541 N CA 1.037 54.126 53.050 0.066 0.000 0.856 541 N CB -0.066 38.446 38.487 0.041 0.000 0.993 541 N HN 0.113 nan 8.380 nan 0.000 0.426 542 K N 0.459 120.898 120.400 0.064 0.000 2.097 542 K HA 0.030 4.342 4.320 -0.012 0.000 0.205 542 K C 2.043 178.750 176.600 0.178 0.000 1.050 542 K CA 0.603 56.936 56.287 0.078 0.000 0.938 542 K CB -0.122 32.182 32.500 -0.327 0.000 0.718 542 K HN 0.112 nan 8.250 nan 0.000 0.442 543 L N 1.064 122.343 121.223 0.094 0.000 2.056 543 L HA -0.164 4.168 4.340 -0.012 0.000 0.207 543 L C 2.597 179.551 176.870 0.140 0.000 1.078 543 L CA 1.141 56.042 54.840 0.101 0.000 0.749 543 L CB -0.254 41.840 42.059 0.059 0.000 0.901 543 L HN 0.100 nan 8.230 nan 0.000 0.433 544 K N -0.388 120.104 120.400 0.153 0.000 2.057 544 K HA -0.190 4.123 4.320 -0.012 0.000 0.206 544 K C 2.185 178.930 176.600 0.242 0.000 1.050 544 K CA 1.502 57.890 56.287 0.168 0.000 0.935 544 K CB -0.213 32.375 32.500 0.146 0.000 0.715 544 K HN 0.110 nan 8.250 nan 0.000 0.439 545 F N 1.482 121.519 119.950 0.145 0.000 2.146 545 F HA -0.097 4.422 4.527 -0.012 0.000 0.298 545 F C 2.092 178.025 175.800 0.223 0.000 1.096 545 F CA 1.218 59.320 58.000 0.169 0.000 1.275 545 F CB -0.493 38.607 39.000 0.166 0.000 1.008 545 F HN 0.014 nan 8.300 nan 0.000 0.480 546 A N 0.112 123.045 122.820 0.189 0.000 1.978 546 A HA -0.058 4.254 4.320 -0.012 0.000 0.220 546 A C 2.380 179.960 177.584 -0.006 0.000 1.170 546 A CA 1.788 53.861 52.037 0.061 0.000 0.636 546 A CB -1.415 17.683 19.000 0.163 0.000 0.810 546 A HN 0.471 nan 8.150 nan 0.000 0.448 547 A N -1.305 121.549 122.820 0.057 0.000 1.854 547 A HA -0.012 4.300 4.320 -0.012 0.000 0.214 547 A C 2.107 179.711 177.584 0.033 0.000 1.192 547 A CA 1.444 53.515 52.037 0.056 0.000 0.611 547 A CB -0.963 18.087 19.000 0.084 0.000 0.832 547 A HN 0.756 nan 8.150 nan 0.000 0.442 548 Y N 0.259 120.511 120.300 -0.081 0.000 2.139 548 Y HA -0.253 4.289 4.550 -0.012 0.000 0.282 548 Y C 1.893 177.711 175.900 -0.137 0.000 1.179 548 Y CA 1.829 59.873 58.100 -0.093 0.000 1.161 548 Y CB -0.370 38.048 38.460 -0.069 0.000 0.970 548 Y HN 0.194 nan 8.280 nan 0.000 0.511 549 L N 0.906 122.073 121.223 -0.093 0.000 2.012 549 L HA -0.233 4.100 4.340 -0.012 0.000 0.210 549 L C 2.391 179.212 176.870 -0.082 0.000 1.073 549 L CA 2.138 56.905 54.840 -0.121 0.000 0.748 549 L CB -1.146 40.769 42.059 -0.240 0.000 0.891 549 L HN 0.359 nan 8.230 nan 0.000 0.431 550 E N -1.586 118.574 120.200 -0.067 0.000 2.152 550 E HA -0.160 4.182 4.350 -0.012 0.000 0.192 550 E C 2.277 178.829 176.600 -0.081 0.000 0.983 550 E CA 0.420 56.803 56.400 -0.027 0.000 0.818 550 E CB 0.088 29.808 29.700 0.034 0.000 0.758 550 E HN 0.357 nan 8.360 nan 0.000 0.467 551 R N 0.707 121.122 120.500 -0.142 0.000 2.109 551 R HA -0.159 4.173 4.340 -0.012 0.000 0.227 551 R C 2.019 178.148 176.300 -0.285 0.000 1.132 551 R CA 1.675 57.663 56.100 -0.187 0.000 0.907 551 R CB -0.068 30.110 30.300 -0.204 0.000 0.825 551 R HN -0.016 nan 8.270 nan 0.000 0.432 552 E N -1.619 118.269 120.200 -0.520 0.000 2.371 552 E HA -0.070 4.273 4.350 -0.012 0.000 0.194 552 E C 0.728 176.868 176.600 -0.765 0.000 1.012 552 E CA 0.823 56.796 56.400 -0.711 0.000 0.860 552 E CB 0.393 29.441 29.700 -1.087 0.000 0.811 552 E HN 0.383 nan 8.360 nan 0.000 0.502 553 Y N -0.195 119.977 120.300 -0.213 0.000 2.452 553 Y HA 0.281 4.823 4.550 -0.013 0.000 0.262 553 Y C -0.365 175.498 175.900 -0.060 0.000 1.089 553 Y CA -0.461 57.578 58.100 -0.102 0.000 1.262 553 Y CB 0.773 39.188 38.460 -0.075 0.000 1.236 553 Y HN -0.337 nan 8.280 nan 0.000 0.512 554 K N 1.062 121.491 120.400 0.049 0.000 6.236 554 K HA -0.076 4.237 4.320 -0.012 0.000 0.607 554 K C -0.552 176.085 176.600 0.062 0.000 1.570 554 K CA 0.967 57.278 56.287 0.039 0.000 1.551 554 K CB -1.491 31.020 32.500 0.019 0.000 1.812 554 K HN 0.435 nan 8.250 nan 0.000 0.338 555 V N -2.589 117.367 119.914 0.069 0.000 5.914 555 V HA -0.001 4.112 4.120 -0.012 0.000 0.826 555 V C -0.129 176.040 176.094 0.125 0.000 2.320 555 V CA -0.007 62.346 62.300 0.089 0.000 4.312 555 V CB -1.157 30.714 31.823 0.079 0.000 0.128 555 V HN 1.004 nan 8.190 nan 0.000 0.619 556 H N 1.024 120.097 119.070 0.006 0.000 2.892 556 H HA -0.086 4.462 4.556 -0.012 0.000 0.274 556 H C -0.303 175.027 175.328 0.004 0.000 0.794 556 H CA 1.876 57.929 56.048 0.008 0.000 1.128 556 H CB 0.086 29.859 29.762 0.017 0.000 1.126 556 H HN 1.319 nan 8.280 nan 0.000 0.623 557 I N 0.138 120.367 120.570 -0.567 0.000 3.102 557 I HA 0.415 4.577 4.170 -0.012 0.000 0.310 557 I C -0.705 175.172 176.117 -0.402 0.000 1.246 557 I CA -1.288 59.821 61.300 -0.318 0.000 0.979 557 I CB 2.210 40.101 38.000 -0.182 0.000 1.267 557 I HN 0.618 nan 8.210 nan 0.000 0.451 558 N N 3.559 122.215 118.700 -0.075 0.000 2.457 558 N HA 0.505 5.238 4.740 -0.012 0.000 0.250 558 N C -2.190 173.408 175.510 0.147 0.000 0.982 558 N CA -2.524 50.542 53.050 0.028 0.000 0.941 558 N CB 1.461 39.992 38.487 0.073 0.000 1.120 558 N HN 0.349 nan 8.380 nan 0.000 0.505 559 P HA 0.044 nan 4.420 nan 0.000 0.239 559 P C -0.105 177.137 177.300 -0.097 0.000 1.184 559 P CA 0.946 64.058 63.100 0.021 0.000 0.760 559 P CB 0.142 31.855 31.700 0.022 0.000 0.884 560 N N -1.231 117.465 118.700 -0.007 0.000 2.356 560 N HA 0.005 4.737 4.740 -0.012 0.000 0.178 560 N C 0.584 176.112 175.510 0.029 0.000 1.075 560 N CA -0.099 52.949 53.050 -0.004 0.000 0.889 560 N CB 0.133 38.638 38.487 0.029 0.000 0.999 560 N HN 0.133 nan 8.380 nan 0.000 0.464 561 S N 0.225 115.950 115.700 0.041 0.000 2.634 561 S HA 0.192 4.655 4.470 -0.012 0.000 0.261 561 S C 0.057 174.614 174.600 -0.071 0.000 1.271 561 S CA -0.801 57.417 58.200 0.030 0.000 0.985 561 S CB 0.922 64.165 63.200 0.072 0.000 0.968 561 S HN 0.142 nan 8.310 nan 0.000 0.568 562 L N 1.467 122.519 121.223 -0.284 0.000 2.360 562 L HA 0.356 4.688 4.340 -0.012 0.000 0.276 562 L C -1.040 175.814 176.870 -0.027 0.000 1.121 562 L CA -0.612 53.873 54.840 -0.592 0.000 0.845 562 L CB -0.004 41.476 42.059 -0.965 0.000 1.143 562 L HN 0.621 nan 8.230 nan 0.000 0.452 563 F N 3.504 123.318 119.950 -0.226 0.000 2.377 563 F HA 0.172 4.692 4.527 -0.011 0.000 0.360 563 F C 0.395 176.127 175.800 -0.113 0.000 1.147 563 F CA -1.055 56.880 58.000 -0.107 0.000 1.170 563 F CB 0.119 39.105 39.000 -0.024 0.000 1.339 563 F HN 0.386 nan 8.300 nan 0.000 0.552 564 D N 3.804 124.205 120.400 0.000 0.000 2.411 564 D HA 0.264 4.896 4.640 -0.012 0.000 0.225 564 D C -0.903 175.339 176.300 -0.097 0.000 1.156 564 D CA 0.082 54.038 54.000 -0.073 0.000 0.874 564 D CB 0.990 41.733 40.800 -0.095 0.000 1.034 564 D HN 0.274 nan 8.370 nan 0.000 0.502 565 V N 2.903 122.750 119.914 -0.111 0.000 2.604 565 V HA 0.553 4.665 4.120 -0.012 0.000 0.305 565 V C -1.309 174.668 176.094 -0.195 0.000 1.043 565 V CA -0.696 61.528 62.300 -0.127 0.000 0.888 565 V CB 1.906 33.703 31.823 -0.043 0.000 0.995 565 V HN 0.501 nan 8.190 nan 0.000 0.429 566 Q N 4.548 124.238 119.800 -0.182 0.000 2.394 566 Q HA 0.648 4.980 4.340 -0.012 0.000 0.261 566 Q C -1.450 174.403 176.000 -0.246 0.000 1.023 566 Q CA -0.641 55.041 55.803 -0.201 0.000 0.720 566 Q CB 1.842 30.482 28.738 -0.162 0.000 1.241 566 Q HN 1.140 nan 8.270 nan 0.000 0.483 567 V N 2.251 122.005 119.914 -0.267 0.000 2.407 567 V HA 0.840 4.953 4.120 -0.012 0.000 0.291 567 V C -0.823 174.988 176.094 -0.472 0.000 1.018 567 V CA -0.545 61.397 62.300 -0.596 0.000 0.842 567 V CB 1.192 32.407 31.823 -1.014 0.000 0.996 567 V HN 0.781 nan 8.190 nan 0.000 0.426 568 K N 2.916 123.105 120.400 -0.351 0.000 2.809 568 K HA 0.455 4.767 4.320 -0.012 0.000 0.293 568 K C -1.248 175.373 176.600 0.035 0.000 1.061 568 K CA -1.048 55.218 56.287 -0.036 0.000 0.837 568 K CB 1.065 33.541 32.500 -0.040 0.000 1.524 568 K HN 0.464 nan 8.250 nan 0.000 0.370 569 R N 0.751 121.331 120.500 0.134 0.000 2.679 569 R HA 0.199 4.532 4.340 -0.012 0.000 0.268 569 R C 0.393 176.738 176.300 0.076 0.000 1.044 569 R CA -0.394 55.794 56.100 0.147 0.000 1.105 569 R CB -0.151 30.283 30.300 0.223 0.000 0.989 569 R HN 0.469 nan 8.270 nan 0.000 0.447 570 I N 4.443 125.025 120.570 0.020 0.000 2.436 570 I HA 0.076 4.238 4.170 -0.012 0.000 0.289 570 I C 0.844 176.861 176.117 -0.166 0.000 1.083 570 I CA 0.657 61.921 61.300 -0.060 0.000 1.372 570 I CB -0.347 37.614 38.000 -0.065 0.000 1.408 570 I HN 0.273 nan 8.210 nan 0.000 0.516 571 H N 4.286 123.293 119.070 -0.106 0.000 2.985 571 H HA 0.284 4.832 4.556 -0.013 0.000 0.360 571 H C 0.331 175.571 175.328 -0.146 0.000 1.221 571 H CA -0.492 55.527 56.048 -0.048 0.000 1.121 571 H CB 2.193 31.810 29.762 -0.241 0.000 1.854 571 H HN 0.500 nan 8.280 nan 0.000 0.551 572 E N 0.710 120.994 120.200 0.141 0.000 2.112 572 E HA -0.134 4.209 4.350 -0.012 0.000 0.190 572 E C 1.380 177.725 176.600 -0.425 0.000 0.979 572 E CA 0.775 57.175 56.400 -0.000 0.000 0.814 572 E CB 0.128 30.014 29.700 0.311 0.000 0.762 572 E HN 0.520 nan 8.360 nan 0.000 0.460 573 Y N 0.667 120.421 120.300 -0.910 0.000 2.439 573 Y HA 0.050 4.593 4.550 -0.013 0.000 0.292 573 Y C 1.459 177.076 175.900 -0.472 0.000 1.130 573 Y CA 0.621 57.995 58.100 -1.209 0.000 1.254 573 Y CB 0.117 37.896 38.460 -1.135 0.000 1.000 573 Y HN -0.220 nan 8.280 nan 0.000 0.554 574 K N 1.008 120.948 120.400 -0.767 0.000 2.418 574 K HA 0.071 4.384 4.320 -0.012 0.000 0.195 574 K C 0.127 176.551 176.600 -0.293 0.000 1.035 574 K CA 0.457 56.401 56.287 -0.571 0.000 1.003 574 K CB -0.049 32.140 32.500 -0.518 0.000 0.793 574 K HN 0.369 nan 8.250 nan 0.000 0.494 575 R N 0.979 121.338 120.500 -0.235 0.000 3.264 575 R HA -0.192 4.140 4.340 -0.012 0.000 0.251 575 R C 0.564 176.789 176.300 -0.125 0.000 0.971 575 R CA 0.169 56.185 56.100 -0.141 0.000 0.658 575 R CB -1.864 28.366 30.300 -0.117 0.000 1.095 575 R HN 0.214 nan 8.270 nan 0.000 0.443 576 Q N 0.156 119.885 119.800 -0.118 0.000 2.291 576 Q HA -0.023 4.309 4.340 -0.012 0.000 0.206 576 Q C 1.814 177.771 176.000 -0.072 0.000 0.976 576 Q CA 1.290 57.037 55.803 -0.094 0.000 0.875 576 Q CB 0.085 28.773 28.738 -0.084 0.000 0.927 576 Q HN 0.604 nan 8.270 nan 0.000 0.450 577 L N -0.669 120.514 121.223 -0.066 0.000 2.093 577 L HA -0.165 4.167 4.340 -0.012 0.000 0.208 577 L C 1.946 178.821 176.870 0.008 0.000 1.085 577 L CA 0.520 55.335 54.840 -0.041 0.000 0.755 577 L CB -0.303 41.741 42.059 -0.025 0.000 0.904 577 L HN 0.311 nan 8.230 nan 0.000 0.435 578 L N -0.037 121.181 121.223 -0.008 0.000 2.131 578 L HA -0.230 4.103 4.340 -0.012 0.000 0.210 578 L C 1.958 178.874 176.870 0.076 0.000 1.092 578 L CA 1.851 56.697 54.840 0.010 0.000 0.759 578 L CB -0.826 41.136 42.059 -0.163 0.000 0.903 578 L HN 0.285 nan 8.230 nan 0.000 0.435 579 N N -1.925 116.793 118.700 0.030 0.000 2.142 579 N HA -0.204 4.528 4.740 -0.012 0.000 0.186 579 N C 1.929 177.528 175.510 0.149 0.000 1.023 579 N CA 1.372 54.514 53.050 0.154 0.000 0.852 579 N CB -0.099 38.413 38.487 0.043 0.000 0.998 579 N HN 0.470 nan 8.380 nan 0.000 0.424 580 C N 0.547 119.872 119.300 0.042 0.000 2.429 580 C HA -0.050 4.403 4.460 -0.012 0.000 0.277 580 C C 2.561 177.560 174.990 0.014 0.000 1.262 580 C CA 0.331 59.329 59.018 -0.034 0.000 1.733 580 C CB -1.219 26.448 27.740 -0.123 0.000 2.010 580 C HN 0.518 nan 8.230 nan 0.000 0.483 581 L N -0.213 121.081 121.223 0.118 0.000 2.042 581 L HA -0.209 4.124 4.340 -0.012 0.000 0.210 581 L C 2.762 179.798 176.870 0.278 0.000 1.076 581 L CA 1.850 56.815 54.840 0.207 0.000 0.749 581 L CB -1.070 41.193 42.059 0.340 0.000 0.893 581 L HN 0.604 nan 8.230 nan 0.000 0.432 582 H N -0.165 119.021 119.070 0.193 0.000 2.357 582 H HA -0.124 4.425 4.556 -0.012 0.000 0.301 582 H C 2.221 177.545 175.328 -0.006 0.000 1.082 582 H CA 1.795 57.868 56.048 0.041 0.000 1.342 582 H CB 0.345 30.062 29.762 -0.075 0.000 1.389 582 H HN 0.093 nan 8.280 nan 0.000 0.511 583 V N 1.439 121.289 119.914 -0.106 0.000 2.343 583 V HA -0.261 3.852 4.120 -0.012 0.000 0.247 583 V C 2.807 178.845 176.094 -0.094 0.000 1.051 583 V CA 1.845 64.046 62.300 -0.164 0.000 1.036 583 V CB -0.491 31.278 31.823 -0.090 0.000 0.654 583 V HN 0.370 nan 8.190 nan 0.000 0.451 584 I N -0.276 120.276 120.570 -0.029 0.000 2.394 584 I HA -0.202 3.961 4.170 -0.012 0.000 0.251 584 I C 2.462 178.655 176.117 0.127 0.000 1.136 584 I CA 1.546 62.905 61.300 0.098 0.000 1.425 584 I CB -0.517 37.529 38.000 0.076 0.000 1.079 584 I HN 0.314 nan 8.210 nan 0.000 0.425 585 T N 0.956 115.529 114.554 0.031 0.000 2.737 585 T HA -0.126 4.217 4.350 -0.012 0.000 0.265 585 T C 1.865 176.519 174.700 -0.077 0.000 1.038 585 T CA 1.085 63.188 62.100 0.005 0.000 1.144 585 T CB -0.210 68.670 68.868 0.019 0.000 0.866 585 T HN 0.071 nan 8.240 nan 0.000 0.434 586 L N 0.331 121.435 121.223 -0.198 0.000 2.042 586 L HA -0.061 4.271 4.340 -0.012 0.000 0.210 586 L C 2.120 178.952 176.870 -0.064 0.000 1.076 586 L CA 1.612 56.334 54.840 -0.197 0.000 0.749 586 L CB -1.108 40.770 42.059 -0.301 0.000 0.893 586 L HN 0.332 nan 8.230 nan 0.000 0.432 587 Y N 0.539 120.779 120.300 -0.100 0.000 2.114 587 Y HA -0.278 4.264 4.550 -0.013 0.000 0.284 587 Y C 2.464 178.347 175.900 -0.029 0.000 1.143 587 Y CA 1.930 60.011 58.100 -0.031 0.000 1.135 587 Y CB -0.359 38.133 38.460 0.054 0.000 0.980 587 Y HN 0.283 nan 8.280 nan 0.000 0.499 588 N N 0.377 119.026 118.700 -0.084 0.000 2.223 588 N HA -0.142 4.590 4.740 -0.012 0.000 0.185 588 N C 1.864 177.258 175.510 -0.192 0.000 1.016 588 N CA 1.522 54.458 53.050 -0.189 0.000 0.863 588 N CB -0.339 38.108 38.487 -0.066 0.000 0.983 588 N HN 0.456 nan 8.380 nan 0.000 0.429 589 R N 0.241 120.656 120.500 -0.143 0.000 2.090 589 R HA 0.112 4.445 4.340 -0.012 0.000 0.228 589 R C 2.170 178.382 176.300 -0.146 0.000 1.110 589 R CA 0.654 56.678 56.100 -0.126 0.000 0.973 589 R CB -0.197 30.040 30.300 -0.105 0.000 0.869 589 R HN 0.224 nan 8.270 nan 0.000 0.440 590 I N 0.965 121.429 120.570 -0.177 0.000 2.252 590 I HA -0.244 3.918 4.170 -0.012 0.000 0.245 590 I C 1.947 177.948 176.117 -0.194 0.000 1.102 590 I CA 1.170 62.368 61.300 -0.170 0.000 1.385 590 I CB -0.071 37.831 38.000 -0.162 0.000 1.064 590 I HN 0.009 nan 8.210 nan 0.000 0.414 591 K N 0.688 120.909 120.400 -0.298 0.000 2.365 591 K HA -0.159 4.153 4.320 -0.012 0.000 0.199 591 K C 1.948 178.442 176.600 -0.176 0.000 1.045 591 K CA 0.852 56.972 56.287 -0.277 0.000 0.962 591 K CB -0.133 32.110 32.500 -0.428 0.000 0.759 591 K HN 0.159 nan 8.250 nan 0.000 0.469 592 K N 1.837 122.142 120.400 -0.158 0.000 2.067 592 K HA -0.041 4.271 4.320 -0.012 0.000 0.203 592 K C 0.128 176.678 176.600 -0.084 0.000 1.048 592 K CA 1.130 57.350 56.287 -0.111 0.000 0.954 592 K CB 0.408 32.846 32.500 -0.103 0.000 0.737 592 K HN 0.030 nan 8.250 nan 0.000 0.444 593 E N 0.806 120.956 120.200 -0.082 0.000 3.037 593 E HA 0.183 4.525 4.350 -0.012 0.000 0.220 593 E C -2.354 174.211 176.600 -0.059 0.000 1.142 593 E CA -1.782 54.584 56.400 -0.058 0.000 0.888 593 E CB 1.584 31.256 29.700 -0.046 0.000 1.329 593 E HN 0.095 nan 8.360 nan 0.000 0.409 594 P HA -0.164 nan 4.420 nan 0.000 0.215 594 P C 0.306 177.590 177.300 -0.026 0.000 1.153 594 P CA 1.254 64.324 63.100 -0.050 0.000 0.853 594 P CB 0.144 31.819 31.700 -0.043 0.000 0.788 595 N N -0.893 117.800 118.700 -0.012 0.000 2.346 595 N HA 0.020 4.753 4.740 -0.012 0.000 0.225 595 N C 0.376 175.903 175.510 0.028 0.000 1.144 595 N CA 0.024 53.080 53.050 0.010 0.000 0.837 595 N CB -0.084 38.408 38.487 0.009 0.000 1.069 595 N HN 0.060 nan 8.380 nan 0.000 0.487 596 K N 1.107 121.519 120.400 0.019 0.000 2.159 596 K HA 0.177 4.490 4.320 -0.012 0.000 0.266 596 K C -1.036 175.607 176.600 0.070 0.000 0.975 596 K CA -0.665 55.648 56.287 0.043 0.000 0.865 596 K CB 0.793 33.298 32.500 0.008 0.000 1.087 596 K HN -0.040 nan 8.250 nan 0.000 0.446 597 F N 4.804 124.741 119.950 -0.021 0.000 2.484 597 F HA 0.225 4.744 4.527 -0.013 0.000 0.360 597 F C -0.441 175.346 175.800 -0.023 0.000 1.101 597 F CA -0.025 57.963 58.000 -0.019 0.000 1.251 597 F CB 0.645 39.636 39.000 -0.015 0.000 1.132 597 F HN 0.196 nan 8.300 nan 0.000 0.570 598 V N 4.132 123.450 119.914 -0.995 0.000 2.925 598 V HA 0.526 4.638 4.120 -0.012 0.000 0.311 598 V C -0.792 174.674 176.094 -1.046 0.000 1.104 598 V CA -1.233 60.623 62.300 -0.740 0.000 0.954 598 V CB 0.934 32.535 31.823 -0.370 0.000 1.022 598 V HN 0.584 nan 8.190 nan 0.000 0.427 599 V N 4.729 124.292 119.914 -0.585 0.000 2.493 599 V HA 0.201 4.314 4.120 -0.012 0.000 0.292 599 V C -1.818 174.110 176.094 -0.277 0.000 1.016 599 V CA -0.428 61.670 62.300 -0.336 0.000 1.097 599 V CB 0.577 32.339 31.823 -0.103 0.000 0.947 599 V HN 0.917 nan 8.190 nan 0.000 0.479 600 P HA 0.362 nan 4.420 nan 0.000 0.268 600 P C -0.513 176.708 177.300 -0.131 0.000 1.205 600 P CA -0.092 62.928 63.100 -0.133 0.000 0.771 600 P CB 0.545 32.215 31.700 -0.049 0.000 0.858 601 R N 0.862 121.296 120.500 -0.110 0.000 2.725 601 R HA 0.615 4.948 4.340 -0.012 0.000 0.277 601 R C -0.861 175.405 176.300 -0.055 0.000 0.987 601 R CA -0.602 55.435 56.100 -0.104 0.000 0.901 601 R CB 1.984 32.203 30.300 -0.134 0.000 1.207 601 R HN 0.274 nan 8.270 nan 0.000 0.463 602 T N 1.937 116.474 114.554 -0.028 0.000 2.864 602 T HA 0.215 4.557 4.350 -0.012 0.000 0.310 602 T C -0.891 173.730 174.700 -0.132 0.000 1.040 602 T CA -0.552 61.495 62.100 -0.088 0.000 0.977 602 T CB 1.159 69.931 68.868 -0.159 0.000 0.976 602 T HN 0.347 nan 8.240 nan 0.000 0.459 603 V N 5.222 125.065 119.914 -0.119 0.000 2.383 603 V HA 0.677 4.789 4.120 -0.012 0.000 0.275 603 V C -0.512 175.503 176.094 -0.132 0.000 1.036 603 V CA -0.624 61.609 62.300 -0.112 0.000 0.889 603 V CB 0.676 32.454 31.823 -0.075 0.000 0.985 603 V HN 0.869 nan 8.190 nan 0.000 0.459 604 M N 7.578 127.086 119.600 -0.153 0.000 2.167 604 M HA 0.586 5.058 4.480 -0.012 0.000 0.333 604 M C -0.912 175.281 176.300 -0.177 0.000 1.030 604 M CA -0.192 55.008 55.300 -0.166 0.000 0.963 604 M CB 1.838 34.330 32.600 -0.181 0.000 1.589 604 M HN 0.529 nan 8.290 nan 0.000 0.431 605 I N 2.188 122.645 120.570 -0.188 0.000 2.406 605 I HA 0.782 4.944 4.170 -0.012 0.000 0.290 605 I C 0.191 176.024 176.117 -0.473 0.000 0.999 605 I CA -0.572 60.600 61.300 -0.214 0.000 1.124 605 I CB 2.109 40.073 38.000 -0.060 0.000 1.289 605 I HN 0.788 nan 8.210 nan 0.000 0.441 606 G N 3.123 111.601 108.800 -0.536 0.000 2.660 606 G HA2 0.841 4.794 3.960 -0.012 0.000 0.294 606 G HA3 0.841 4.794 3.960 -0.012 0.000 0.294 606 G C -0.977 173.643 174.900 -0.468 0.000 1.369 606 G CA -0.798 43.835 45.100 -0.778 0.000 0.912 606 G HN 0.961 nan 8.290 nan 0.000 0.479 607 G N -0.467 108.191 108.800 -0.236 0.000 2.352 607 G HA2 0.415 4.367 3.960 -0.012 0.000 0.305 607 G HA3 0.415 4.367 3.960 -0.012 0.000 0.305 607 G C -1.450 173.576 174.900 0.210 0.000 1.537 607 G CA -1.006 44.124 45.100 0.051 0.000 0.959 607 G HN 0.599 nan 8.290 nan 0.000 0.668 608 K N -0.213 120.308 120.400 0.201 0.000 2.123 608 K HA 0.774 5.087 4.320 -0.012 0.000 0.259 608 K C 0.200 176.931 176.600 0.218 0.000 0.960 608 K CA -0.235 56.189 56.287 0.228 0.000 0.872 608 K CB 2.043 34.584 32.500 0.068 0.000 1.079 608 K HN 0.898 nan 8.250 nan 0.000 0.440 609 A N 1.500 124.485 122.820 0.274 0.000 2.317 609 A HA 0.664 4.977 4.320 -0.012 0.000 0.327 609 A C -0.534 177.220 177.584 0.283 0.000 1.178 609 A CA -0.709 51.429 52.037 0.168 0.000 0.817 609 A CB 1.058 20.087 19.000 0.049 0.000 1.189 609 A HN 0.773 nan 8.150 nan 0.000 0.489 610 A N 3.664 126.623 122.820 0.232 0.000 2.511 610 A HA 0.498 4.810 4.320 -0.012 0.000 0.242 610 A C -1.343 176.307 177.584 0.110 0.000 1.069 610 A CA -0.930 51.242 52.037 0.226 0.000 0.763 610 A CB -0.346 18.749 19.000 0.159 0.000 1.001 610 A HN 0.604 nan 8.150 nan 0.000 0.498 611 P HA -0.186 nan 4.420 nan 0.000 0.218 611 P C 1.359 178.644 177.300 -0.026 0.000 1.152 611 P CA 2.169 65.199 63.100 -0.117 0.000 0.857 611 P CB 0.180 31.756 31.700 -0.207 0.000 0.787 612 G N -3.325 105.485 108.800 0.016 0.000 3.042 612 G HA2 -0.117 3.835 3.960 -0.012 0.000 0.212 612 G HA3 -0.117 3.835 3.960 -0.012 0.000 0.212 612 G C -0.079 174.869 174.900 0.079 0.000 1.166 612 G CA -0.044 45.075 45.100 0.032 0.000 0.767 612 G HN 0.175 nan 8.290 nan 0.000 0.546 613 Y N 2.451 122.698 120.300 -0.090 0.000 2.594 613 Y HA 0.177 4.719 4.550 -0.013 0.000 0.344 613 Y C 1.487 177.374 175.900 -0.021 0.000 1.185 613 Y CA -1.766 56.267 58.100 -0.111 0.000 1.565 613 Y CB -0.803 37.553 38.460 -0.173 0.000 1.415 613 Y HN 0.382 nan 8.280 nan 0.000 0.488 614 H N 3.510 122.670 119.070 0.151 0.000 2.289 614 H HA -0.242 4.307 4.556 -0.012 0.000 0.296 614 H C 1.737 177.057 175.328 -0.013 0.000 1.091 614 H CA 2.389 58.471 56.048 0.056 0.000 1.274 614 H CB 0.358 30.158 29.762 0.063 0.000 1.364 614 H HN 0.595 nan 8.280 nan 0.000 0.490 615 M N 1.123 120.651 119.600 -0.120 0.000 2.080 615 M HA -0.120 4.352 4.480 -0.012 0.000 0.260 615 M C 2.631 178.648 176.300 -0.472 0.000 1.068 615 M CA 2.027 57.174 55.300 -0.257 0.000 1.109 615 M CB -0.976 31.598 32.600 -0.042 0.000 1.342 615 M HN 0.359 nan 8.290 nan 0.000 0.405 616 A N -0.557 121.713 122.820 -0.916 0.000 1.978 616 A HA -0.213 4.099 4.320 -0.012 0.000 0.220 616 A C 2.182 179.553 177.584 -0.354 0.000 1.170 616 A CA 1.975 53.560 52.037 -0.755 0.000 0.636 616 A CB -0.708 17.673 19.000 -1.032 0.000 0.810 616 A HN 0.625 nan 8.150 nan 0.000 0.448 617 K N -1.312 118.931 120.400 -0.261 0.000 2.228 617 K HA 0.049 4.361 4.320 -0.012 0.000 0.202 617 K C 1.758 178.321 176.600 -0.062 0.000 1.051 617 K CA 0.837 57.069 56.287 -0.093 0.000 0.960 617 K CB -0.131 32.371 32.500 0.003 0.000 0.743 617 K HN 0.331 nan 8.250 nan 0.000 0.458 618 M N 0.501 120.007 119.600 -0.156 0.000 2.254 618 M HA -0.025 4.447 4.480 -0.012 0.000 0.265 618 M C 2.023 178.276 176.300 -0.078 0.000 1.066 618 M CA 1.322 56.576 55.300 -0.076 0.000 1.123 618 M CB -0.432 32.079 32.600 -0.148 0.000 1.388 618 M HN 0.104 nan 8.290 nan 0.000 0.425 619 I N -0.417 120.059 120.570 -0.156 0.000 2.315 619 I HA -0.267 3.896 4.170 -0.012 0.000 0.248 619 I C 2.220 178.208 176.117 -0.214 0.000 1.117 619 I CA 0.902 62.098 61.300 -0.173 0.000 1.404 619 I CB -0.221 37.673 38.000 -0.177 0.000 1.071 619 I HN 0.156 nan 8.210 nan 0.000 0.419 620 I N 0.698 121.118 120.570 -0.250 0.000 2.315 620 I HA -0.274 3.889 4.170 -0.012 0.000 0.248 620 I C 2.534 178.356 176.117 -0.492 0.000 1.117 620 I CA 1.123 62.169 61.300 -0.422 0.000 1.404 620 I CB -0.195 37.544 38.000 -0.435 0.000 1.071 620 I HN 0.145 nan 8.210 nan 0.000 0.419 621 K N 1.464 121.608 120.400 -0.425 0.000 2.097 621 K HA -0.113 4.200 4.320 -0.012 0.000 0.205 621 K C 2.013 178.460 176.600 -0.255 0.000 1.050 621 K CA 1.303 57.260 56.287 -0.551 0.000 0.938 621 K CB -0.414 31.494 32.500 -0.986 0.000 0.718 621 K HN 0.207 nan 8.250 nan 0.000 0.442 622 L N 0.469 121.579 121.223 -0.189 0.000 2.017 622 L HA -0.148 4.184 4.340 -0.012 0.000 0.208 622 L C 2.124 178.751 176.870 -0.406 0.000 1.073 622 L CA 1.675 56.231 54.840 -0.474 0.000 0.745 622 L CB -0.325 41.382 42.059 -0.587 0.000 0.894 622 L HN 0.260 nan 8.230 nan 0.000 0.432 623 I N 0.015 120.396 120.570 -0.315 0.000 2.127 623 I HA -0.360 3.802 4.170 -0.012 0.000 0.241 623 I C 2.635 178.626 176.117 -0.211 0.000 1.075 623 I CA 2.062 63.224 61.300 -0.231 0.000 1.334 623 I CB -0.724 37.209 38.000 -0.113 0.000 1.040 623 I HN 0.431 nan 8.210 nan 0.000 0.405 624 T N -0.718 113.681 114.554 -0.257 0.000 2.833 624 T HA -0.089 4.253 4.350 -0.012 0.000 0.269 624 T C 1.942 176.554 174.700 -0.146 0.000 1.054 624 T CA 0.988 62.971 62.100 -0.195 0.000 1.135 624 T CB -0.455 68.255 68.868 -0.264 0.000 0.869 624 T HN 0.365 nan 8.240 nan 0.000 0.466 625 A N 1.474 124.200 122.820 -0.156 0.000 1.898 625 A HA 0.156 4.468 4.320 -0.012 0.000 0.216 625 A C 2.357 179.910 177.584 -0.052 0.000 1.181 625 A CA 1.256 53.262 52.037 -0.052 0.000 0.620 625 A CB -0.770 18.274 19.000 0.073 0.000 0.819 625 A HN 0.583 nan 8.150 nan 0.000 0.442 626 I N -0.253 120.180 120.570 -0.229 0.000 2.226 626 I HA -0.181 3.982 4.170 -0.012 0.000 0.245 626 I C 2.688 178.728 176.117 -0.129 0.000 1.100 626 I CA 1.161 62.300 61.300 -0.268 0.000 1.374 626 I CB -0.560 37.176 38.000 -0.439 0.000 1.057 626 I HN 0.378 nan 8.210 nan 0.000 0.413 627 G N 0.207 108.930 108.800 -0.128 0.000 2.432 627 G HA2 -0.245 3.708 3.960 -0.012 0.000 0.219 627 G HA3 -0.245 3.708 3.960 -0.012 0.000 0.219 627 G C 1.255 176.098 174.900 -0.094 0.000 1.135 627 G CA 0.887 45.920 45.100 -0.112 0.000 0.767 627 G HN 0.278 nan 8.290 nan 0.000 0.550 628 D N 0.046 120.434 120.400 -0.020 0.000 2.117 628 D HA -0.073 4.560 4.640 -0.012 0.000 0.197 628 D C 2.744 179.110 176.300 0.110 0.000 0.987 628 D CA 0.642 54.698 54.000 0.093 0.000 0.829 628 D CB -0.224 40.616 40.800 0.067 0.000 0.961 628 D HN 0.229 nan 8.370 nan 0.000 0.460 629 V N 0.284 120.196 119.914 -0.005 0.000 2.273 629 V HA -0.157 3.956 4.120 -0.012 0.000 0.242 629 V C 2.637 178.647 176.094 -0.139 0.000 1.035 629 V CA 0.864 63.108 62.300 -0.095 0.000 1.013 629 V CB -0.437 31.262 31.823 -0.206 0.000 0.652 629 V HN 0.024 nan 8.190 nan 0.000 0.452 630 V N 1.041 120.808 119.914 -0.245 0.000 2.287 630 V HA -0.248 3.865 4.120 -0.012 0.000 0.248 630 V C 2.135 178.160 176.094 -0.115 0.000 1.053 630 V CA 2.200 64.364 62.300 -0.228 0.000 1.027 630 V CB -0.922 30.769 31.823 -0.221 0.000 0.646 630 V HN 0.586 nan 8.190 nan 0.000 0.447 631 N N -0.485 118.075 118.700 -0.234 0.000 2.550 631 N HA -0.085 4.647 4.740 -0.012 0.000 0.186 631 N C 1.104 176.307 175.510 -0.511 0.000 1.110 631 N CA 0.889 53.715 53.050 -0.374 0.000 0.912 631 N CB -0.287 37.900 38.487 -0.499 0.000 0.968 631 N HN 0.711 nan 8.380 nan 0.000 0.448 632 H N -1.660 117.417 119.070 0.011 0.000 2.785 632 H HA 0.202 4.750 4.556 -0.012 0.000 0.268 632 H C -0.589 174.761 175.328 0.037 0.000 1.153 632 H CA -0.508 55.551 56.048 0.017 0.000 1.111 632 H CB 0.720 30.481 29.762 -0.002 0.000 1.633 632 H HN -0.040 nan 8.280 nan 0.000 0.576 633 D N 1.729 122.204 120.400 0.125 0.000 2.339 633 D HA 0.055 4.688 4.640 -0.012 0.000 0.241 633 D C -1.626 174.739 176.300 0.108 0.000 1.183 633 D CA -2.180 51.910 54.000 0.150 0.000 0.859 633 D CB 1.712 42.674 40.800 0.269 0.000 1.067 633 D HN 0.101 nan 8.370 nan 0.000 0.484 634 P HA -0.134 nan 4.420 nan 0.000 0.216 634 P C 1.611 178.940 177.300 0.048 0.000 1.150 634 P CA 0.413 63.549 63.100 0.061 0.000 0.837 634 P CB 0.401 32.131 31.700 0.050 0.000 0.786 635 V N -0.544 119.397 119.914 0.045 0.000 2.490 635 V HA -0.173 3.939 4.120 -0.012 0.000 0.250 635 V C 2.439 178.543 176.094 0.016 0.000 1.061 635 V CA 1.523 63.835 62.300 0.020 0.000 1.064 635 V CB -0.991 30.832 31.823 -0.000 0.000 0.670 635 V HN -0.014 nan 8.190 nan 0.000 0.461 636 V N -0.339 119.603 119.914 0.045 0.000 2.453 636 V HA 0.116 4.229 4.120 -0.012 0.000 0.247 636 V C 1.779 177.889 176.094 0.027 0.000 1.048 636 V CA 1.402 63.728 62.300 0.043 0.000 1.049 636 V CB -1.113 30.779 31.823 0.116 0.000 0.672 636 V HN 0.734 nan 8.190 nan 0.000 0.457 637 G N 1.552 110.373 108.800 0.036 0.000 2.574 637 G HA2 -0.406 3.546 3.960 -0.012 0.000 0.286 637 G HA3 -0.406 3.546 3.960 -0.012 0.000 0.286 637 G C 0.260 175.177 174.900 0.029 0.000 1.212 637 G CA 0.608 45.727 45.100 0.032 0.000 0.979 637 G HN 0.724 nan 8.290 nan 0.000 0.557 638 D N -0.156 120.263 120.400 0.031 0.000 2.358 638 D HA 0.311 4.943 4.640 -0.012 0.000 0.224 638 D C 1.861 178.167 176.300 0.010 0.000 1.123 638 D CA 0.247 54.268 54.000 0.034 0.000 0.833 638 D CB 0.104 40.940 40.800 0.060 0.000 0.946 638 D HN 0.576 nan 8.370 nan 0.000 0.505 639 R N -0.595 119.898 120.500 -0.011 0.000 2.236 639 R HA 0.273 4.606 4.340 -0.012 0.000 0.208 639 R C -0.220 176.043 176.300 -0.060 0.000 1.036 639 R CA 0.265 56.333 56.100 -0.054 0.000 1.001 639 R CB 0.186 30.434 30.300 -0.086 0.000 0.896 639 R HN 0.161 nan 8.270 nan 0.000 0.464 640 L N 0.707 121.912 121.223 -0.031 0.000 2.580 640 L HA 0.360 4.692 4.340 -0.012 0.000 0.266 640 L C -1.635 175.214 176.870 -0.035 0.000 0.955 640 L CA -0.499 54.319 54.840 -0.035 0.000 0.886 640 L CB 1.603 43.654 42.059 -0.014 0.000 1.263 640 L HN -0.124 nan 8.230 nan 0.000 0.406 641 R N 4.191 124.657 120.500 -0.056 0.000 2.561 641 R HA 0.733 5.065 4.340 -0.012 0.000 0.297 641 R C -1.427 174.818 176.300 -0.092 0.000 0.969 641 R CA -0.832 55.222 56.100 -0.076 0.000 0.879 641 R CB 2.358 32.613 30.300 -0.074 0.000 1.178 641 R HN 0.377 nan 8.270 nan 0.000 0.445 642 V N 5.136 124.990 119.914 -0.099 0.000 2.334 642 V HA 0.448 4.560 4.120 -0.012 0.000 0.281 642 V C -0.024 176.022 176.094 -0.080 0.000 1.016 642 V CA -0.602 61.641 62.300 -0.095 0.000 0.832 642 V CB 1.341 33.101 31.823 -0.105 0.000 0.999 642 V HN 0.573 nan 8.190 nan 0.000 0.439 643 I N 4.908 125.432 120.570 -0.077 0.000 2.465 643 I HA 0.447 4.609 4.170 -0.012 0.000 0.291 643 I C -0.809 175.290 176.117 -0.029 0.000 1.014 643 I CA -0.418 60.848 61.300 -0.057 0.000 1.093 643 I CB 2.058 39.999 38.000 -0.099 0.000 1.267 643 I HN 0.550 nan 8.210 nan 0.000 0.431 644 F N 7.624 127.505 119.950 -0.114 0.000 2.391 644 F HA 0.456 4.976 4.527 -0.012 0.000 0.359 644 F C -0.722 175.008 175.800 -0.117 0.000 1.122 644 F CA -0.725 57.209 58.000 -0.111 0.000 1.120 644 F CB 0.627 39.565 39.000 -0.103 0.000 1.142 644 F HN 0.125 nan 8.300 nan 0.000 0.483 645 L N 5.940 126.736 121.223 -0.712 0.000 2.407 645 L HA 0.160 4.493 4.340 -0.012 0.000 0.282 645 L C 0.396 176.929 176.870 -0.562 0.000 1.110 645 L CA 0.122 54.659 54.840 -0.506 0.000 0.863 645 L CB -0.046 41.812 42.059 -0.336 0.000 1.207 645 L HN 0.616 nan 8.230 nan 0.000 0.454 646 E N 3.004 123.004 120.200 -0.335 0.000 2.373 646 E HA -0.025 4.317 4.350 -0.012 0.000 0.267 646 E C 0.494 177.105 176.600 0.018 0.000 1.032 646 E CA -0.188 56.165 56.400 -0.080 0.000 0.889 646 E CB 0.309 29.962 29.700 -0.077 0.000 0.984 646 E HN 0.510 nan 8.360 nan 0.000 0.425 647 N N 2.398 121.182 118.700 0.140 0.000 2.705 647 N HA -0.287 4.446 4.740 -0.012 0.000 0.255 647 N C -1.518 174.069 175.510 0.128 0.000 1.008 647 N CA 0.529 53.669 53.050 0.149 0.000 0.742 647 N CB -1.340 37.260 38.487 0.190 0.000 0.906 647 N HN 0.426 nan 8.380 nan 0.000 0.541 648 Y N 1.516 121.801 120.300 -0.025 0.000 2.632 648 Y HA 0.161 4.703 4.550 -0.013 0.000 0.329 648 Y C 1.112 177.015 175.900 0.006 0.000 1.174 648 Y CA 0.359 58.435 58.100 -0.040 0.000 1.469 648 Y CB 0.286 38.692 38.460 -0.089 0.000 1.242 648 Y HN 0.357 nan 8.280 nan 0.000 0.540 649 R N 2.687 122.877 120.500 -0.516 0.000 2.844 649 R HA 0.504 4.836 4.340 -0.012 0.000 0.264 649 R C -0.155 175.800 176.300 -0.574 0.000 1.077 649 R CA -0.654 55.180 56.100 -0.443 0.000 0.953 649 R CB 0.371 30.602 30.300 -0.115 0.000 1.272 649 R HN 0.368 nan 8.270 nan 0.000 0.447 650 V N 1.139 120.747 119.914 -0.509 0.000 2.231 650 V HA -0.312 3.800 4.120 -0.012 0.000 0.248 650 V C 2.631 178.596 176.094 -0.215 0.000 1.054 650 V CA 2.953 65.022 62.300 -0.385 0.000 1.015 650 V CB -0.851 30.709 31.823 -0.437 0.000 0.638 650 V HN 0.965 nan 8.190 nan 0.000 0.444 651 S N 0.084 115.679 115.700 -0.175 0.000 2.400 651 S HA -0.213 4.250 4.470 -0.012 0.000 0.232 651 S C 1.928 176.478 174.600 -0.084 0.000 1.025 651 S CA 1.876 60.005 58.200 -0.117 0.000 0.993 651 S CB -0.574 62.588 63.200 -0.064 0.000 0.808 651 S HN 0.391 nan 8.310 nan 0.000 0.478 652 L N 1.914 123.091 121.223 -0.077 0.000 2.109 652 L HA 0.354 4.687 4.340 -0.012 0.000 0.207 652 L C 2.655 179.516 176.870 -0.016 0.000 1.086 652 L CA 1.396 56.227 54.840 -0.015 0.000 0.760 652 L CB -1.401 40.701 42.059 0.072 0.000 0.910 652 L HN 0.348 nan 8.230 nan 0.000 0.437 653 A N -0.640 122.153 122.820 -0.046 0.000 1.933 653 A HA -0.219 4.093 4.320 -0.012 0.000 0.218 653 A C 2.102 179.720 177.584 0.057 0.000 1.175 653 A CA 1.737 53.814 52.037 0.067 0.000 0.628 653 A CB -0.603 18.420 19.000 0.039 0.000 0.814 653 A HN 0.605 nan 8.150 nan 0.000 0.444 654 E N -0.489 119.736 120.200 0.041 0.000 2.338 654 E HA -0.146 4.197 4.350 -0.012 0.000 0.197 654 E C 1.783 178.341 176.600 -0.070 0.000 1.007 654 E CA 1.040 57.436 56.400 -0.007 0.000 0.849 654 E CB -0.031 29.582 29.700 -0.145 0.000 0.774 654 E HN 0.622 nan 8.360 nan 0.000 0.506 655 K N -0.054 120.278 120.400 -0.113 0.000 2.190 655 K HA -0.018 4.294 4.320 -0.012 0.000 0.202 655 K C 2.216 178.590 176.600 -0.377 0.000 1.045 655 K CA 0.836 57.029 56.287 -0.156 0.000 0.976 655 K CB 0.308 32.718 32.500 -0.151 0.000 0.849 655 K HN -0.018 nan 8.250 nan 0.000 0.468 656 V N 0.952 120.543 119.914 -0.538 0.000 2.283 656 V HA -0.192 3.920 4.120 -0.012 0.000 0.243 656 V C 2.213 178.030 176.094 -0.461 0.000 1.039 656 V CA 1.336 63.124 62.300 -0.852 0.000 1.016 656 V CB -0.832 30.641 31.823 -0.584 0.000 0.650 656 V HN 0.186 nan 8.190 nan 0.000 0.449 657 I N 1.015 121.354 120.570 -0.385 0.000 2.113 657 I HA -0.190 3.973 4.170 -0.012 0.000 0.242 657 I C -0.032 175.944 176.117 -0.234 0.000 1.064 657 I CA 2.078 63.079 61.300 -0.498 0.000 1.320 657 I CB -1.759 35.845 38.000 -0.660 0.000 1.028 657 I HN 0.368 nan 8.210 nan 0.000 0.406 658 P HA -0.098 nan 4.420 nan 0.000 0.225 658 P C 0.839 178.131 177.300 -0.013 0.000 1.148 658 P CA 1.266 64.334 63.100 -0.053 0.000 0.779 658 P CB 0.022 31.701 31.700 -0.034 0.000 0.780 659 A N -1.367 121.430 122.820 -0.039 0.000 2.308 659 A HA 0.537 4.849 4.320 -0.012 0.000 0.217 659 A C 1.081 178.779 177.584 0.190 0.000 1.216 659 A CA 0.002 52.080 52.037 0.068 0.000 0.864 659 A CB -0.525 18.532 19.000 0.096 0.000 0.902 659 A HN 0.191 nan 8.150 nan 0.000 0.499 660 A N -0.313 122.606 122.820 0.165 0.000 2.316 660 A HA 0.533 4.846 4.320 -0.012 0.000 0.284 660 A C 0.277 178.015 177.584 0.257 0.000 1.115 660 A CA -0.288 51.916 52.037 0.278 0.000 0.812 660 A CB 0.483 19.746 19.000 0.437 0.000 1.064 660 A HN 0.234 nan 8.150 nan 0.000 0.489 661 D N 0.364 120.913 120.400 0.248 0.000 2.431 661 D HA 0.125 4.758 4.640 -0.012 0.000 0.235 661 D C 0.010 176.502 176.300 0.320 0.000 0.980 661 D CA 0.682 54.871 54.000 0.315 0.000 0.912 661 D CB 0.287 41.208 40.800 0.202 0.000 1.056 661 D HN 0.348 nan 8.370 nan 0.000 0.494 662 L N 1.350 122.654 121.223 0.136 0.000 2.333 662 L HA 0.299 4.631 4.340 -0.012 0.000 0.280 662 L C -0.704 176.034 176.870 -0.221 0.000 1.004 662 L CA -0.264 54.573 54.840 -0.005 0.000 0.820 662 L CB 1.949 43.981 42.059 -0.044 0.000 1.247 662 L HN -0.145 nan 8.230 nan 0.000 0.416 663 S N 4.539 120.004 115.700 -0.392 0.000 2.429 663 S HA 0.353 4.816 4.470 -0.012 0.000 0.302 663 S C -0.427 173.874 174.600 -0.498 0.000 1.115 663 S CA -0.692 57.006 58.200 -0.836 0.000 1.095 663 S CB 0.862 63.394 63.200 -1.113 0.000 0.987 663 S HN 0.575 nan 8.310 nan 0.000 0.474 664 E N 4.042 123.976 120.200 -0.443 0.000 2.089 664 E HA 0.223 4.566 4.350 -0.012 0.000 0.284 664 E C -0.553 175.932 176.600 -0.192 0.000 1.023 664 E CA -0.430 55.839 56.400 -0.219 0.000 0.819 664 E CB 1.059 30.666 29.700 -0.154 0.000 1.076 664 E HN 0.617 nan 8.360 nan 0.000 0.396 665 Q N 2.914 122.652 119.800 -0.104 0.000 3.122 665 Q HA 0.256 4.588 4.340 -0.012 0.000 0.282 665 Q C 0.544 176.519 176.000 -0.042 0.000 0.947 665 Q CA -0.129 55.624 55.803 -0.083 0.000 0.812 665 Q CB 0.345 29.046 28.738 -0.063 0.000 1.333 665 Q HN 0.619 nan 8.270 nan 0.000 0.430 666 I N -1.286 119.250 120.570 -0.057 0.000 3.626 666 I HA 0.282 4.445 4.170 -0.012 0.000 0.345 666 I C 0.213 176.267 176.117 -0.105 0.000 1.502 666 I CA -0.553 60.718 61.300 -0.048 0.000 1.135 666 I CB 0.136 38.117 38.000 -0.032 0.000 1.456 666 I HN -0.017 nan 8.210 nan 0.000 0.460 667 S N 0.531 116.168 115.700 -0.106 0.000 2.593 667 S HA 0.274 4.736 4.470 -0.012 0.000 0.269 667 S C 0.523 175.094 174.600 -0.048 0.000 1.334 667 S CA -0.356 57.794 58.200 -0.082 0.000 1.015 667 S CB 0.743 63.928 63.200 -0.024 0.000 0.912 667 S HN 0.420 nan 8.310 nan 0.000 0.541 668 T N 2.455 117.019 114.554 0.017 0.000 2.853 668 T HA 0.416 4.759 4.350 -0.012 0.000 0.298 668 T C 0.691 175.402 174.700 0.019 0.000 0.978 668 T CA 0.138 62.260 62.100 0.037 0.000 1.152 668 T CB 0.066 69.030 68.868 0.160 0.000 0.914 668 T HN 0.975 nan 8.240 nan 0.000 0.539 669 A N 2.824 125.625 122.820 -0.033 0.000 2.580 669 A HA 0.432 4.744 4.320 -0.012 0.000 0.244 669 A C 1.657 179.236 177.584 -0.008 0.000 1.045 669 A CA 0.381 52.395 52.037 -0.039 0.000 0.761 669 A CB -0.928 18.037 19.000 -0.059 0.000 0.962 669 A HN 1.661 nan 8.150 nan 0.000 0.512 670 G N 1.418 110.213 108.800 -0.008 0.000 2.194 670 G HA2 -0.253 3.699 3.960 -0.012 0.000 0.236 670 G HA3 -0.253 3.699 3.960 -0.012 0.000 0.236 670 G C 0.971 175.868 174.900 -0.005 0.000 0.987 670 G CA 1.089 46.187 45.100 -0.003 0.000 0.635 670 G HN 2.015 nan 8.290 nan 0.000 0.520 671 T N -2.252 112.305 114.554 0.004 0.000 3.034 671 T HA 0.395 4.737 4.350 -0.012 0.000 0.248 671 T C 0.795 175.403 174.700 -0.154 0.000 1.040 671 T CA 1.170 63.226 62.100 -0.074 0.000 1.107 671 T CB 0.526 69.403 68.868 0.015 0.000 0.932 671 T HN 0.299 nan 8.240 nan 0.000 0.474 672 E N 1.413 121.630 120.200 0.030 0.000 2.001 672 E HA 0.670 5.012 4.350 -0.012 0.000 0.279 672 E C 1.228 177.798 176.600 -0.050 0.000 1.045 672 E CA 0.042 56.492 56.400 0.083 0.000 0.833 672 E CB 0.637 30.416 29.700 0.132 0.000 1.077 672 E HN 0.326 nan 8.360 nan 0.000 0.397 673 A N 3.406 126.122 122.820 -0.174 0.000 1.929 673 A HA -0.285 4.027 4.320 -0.012 0.000 0.221 673 A C 1.978 179.459 177.584 -0.172 0.000 1.211 673 A CA 2.527 54.338 52.037 -0.377 0.000 0.657 673 A CB -0.323 18.243 19.000 -0.724 0.000 0.827 673 A HN 0.627 nan 8.150 nan 0.000 0.462 674 S N -4.522 111.126 115.700 -0.087 0.000 4.428 674 S HA 0.441 4.903 4.470 -0.012 0.000 0.199 674 S C 0.698 175.286 174.600 -0.020 0.000 1.156 674 S CA 1.341 59.528 58.200 -0.023 0.000 1.134 674 S CB -0.249 62.958 63.200 0.011 0.000 1.531 674 S HN 2.394 nan 8.310 nan 0.000 0.551 675 G N 0.265 109.059 108.800 -0.010 0.000 2.712 675 G HA2 -0.023 3.929 3.960 -0.012 0.000 0.686 675 G HA3 -0.023 3.929 3.960 -0.012 0.000 0.686 675 G C 0.231 175.109 174.900 -0.037 0.000 1.321 675 G CA 0.458 45.548 45.100 -0.017 0.000 0.813 675 G HN 1.403 nan 8.290 nan 0.000 0.599 676 T N -2.211 112.308 114.554 -0.059 0.000 3.029 676 T HA 0.383 4.725 4.350 -0.012 0.000 0.256 676 T C 2.323 176.921 174.700 -0.170 0.000 0.914 676 T CA 1.205 63.241 62.100 -0.107 0.000 0.880 676 T CB 0.340 69.140 68.868 -0.114 0.000 1.246 676 T HN 1.864 nan 8.240 nan 0.000 0.523 677 G N 3.175 111.902 108.800 -0.121 0.000 2.422 677 G HA2 -0.247 3.705 3.960 -0.012 0.000 0.218 677 G HA3 -0.247 3.705 3.960 -0.012 0.000 0.218 677 G C 1.448 176.389 174.900 0.068 0.000 1.146 677 G CA 1.155 46.199 45.100 -0.093 0.000 0.769 677 G HN 0.809 nan 8.290 nan 0.000 0.547 678 N N 0.284 119.007 118.700 0.039 0.000 2.094 678 N HA -0.191 4.542 4.740 -0.012 0.000 0.191 678 N C 2.236 177.751 175.510 0.007 0.000 1.023 678 N CA 1.504 54.577 53.050 0.039 0.000 0.857 678 N CB -0.391 38.070 38.487 -0.043 0.000 1.013 678 N HN 0.343 nan 8.380 nan 0.000 0.426 679 M N 0.863 120.398 119.600 -0.108 0.000 2.117 679 M HA -0.065 4.407 4.480 -0.012 0.000 0.262 679 M C 2.106 178.359 176.300 -0.078 0.000 1.065 679 M CA 1.576 56.794 55.300 -0.137 0.000 1.114 679 M CB -0.184 32.331 32.600 -0.141 0.000 1.361 679 M HN 0.104 nan 8.290 nan 0.000 0.408 680 K N 0.048 120.334 120.400 -0.190 0.000 2.063 680 K HA -0.151 4.162 4.320 -0.012 0.000 0.208 680 K C 1.696 178.195 176.600 -0.168 0.000 1.048 680 K CA 1.553 57.663 56.287 -0.296 0.000 0.928 680 K CB -0.328 31.773 32.500 -0.665 0.000 0.713 680 K HN 0.153 nan 8.250 nan 0.000 0.442 681 F N 0.904 120.778 119.950 -0.127 0.000 2.146 681 F HA -0.121 4.398 4.527 -0.013 0.000 0.298 681 F C 2.557 178.324 175.800 -0.055 0.000 1.096 681 F CA 1.191 59.141 58.000 -0.084 0.000 1.275 681 F CB -0.294 38.647 39.000 -0.099 0.000 1.008 681 F HN 0.003 nan 8.300 nan 0.000 0.480 682 M N -0.379 119.307 119.600 0.143 0.000 2.149 682 M HA -0.198 4.274 4.480 -0.012 0.000 0.261 682 M C 1.984 178.338 176.300 0.089 0.000 1.064 682 M CA 1.598 56.949 55.300 0.086 0.000 1.102 682 M CB -0.201 32.447 32.600 0.080 0.000 1.369 682 M HN 0.285 nan 8.290 nan 0.000 0.408 683 L N 0.442 121.717 121.223 0.087 0.000 2.395 683 L HA 0.015 4.347 4.340 -0.012 0.000 0.218 683 L C 1.138 178.051 176.870 0.072 0.000 1.130 683 L CA 1.321 56.217 54.840 0.093 0.000 0.826 683 L CB -0.394 41.730 42.059 0.109 0.000 0.941 683 L HN 0.306 nan 8.230 nan 0.000 0.451 684 N N 0.021 118.756 118.700 0.058 0.000 2.238 684 N HA 0.185 4.918 4.740 -0.012 0.000 0.222 684 N C 0.678 176.221 175.510 0.055 0.000 1.133 684 N CA 0.739 53.816 53.050 0.044 0.000 0.854 684 N CB 0.569 39.061 38.487 0.008 0.000 1.041 684 N HN 0.359 nan 8.380 nan 0.000 0.510 685 G N 0.757 109.592 108.800 0.059 0.000 2.212 685 G HA2 -0.187 3.766 3.960 -0.012 0.000 0.255 685 G HA3 -0.187 3.766 3.960 -0.012 0.000 0.255 685 G C -0.099 174.859 174.900 0.097 0.000 1.062 685 G CA 0.219 45.353 45.100 0.057 0.000 0.815 685 G HN 0.513 nan 8.290 nan 0.000 0.497 686 A N -0.687 122.195 122.820 0.103 0.000 2.356 686 A HA 0.912 5.224 4.320 -0.012 0.000 0.323 686 A C -0.299 177.269 177.584 -0.026 0.000 1.119 686 A CA -0.749 51.364 52.037 0.127 0.000 0.790 686 A CB 1.553 20.702 19.000 0.249 0.000 1.273 686 A HN 0.784 nan 8.150 nan 0.000 0.452 687 L N 0.657 121.824 121.223 -0.093 0.000 2.360 687 L HA 0.590 4.923 4.340 -0.012 0.000 0.271 687 L C 0.446 177.166 176.870 -0.250 0.000 1.057 687 L CA 0.421 55.105 54.840 -0.261 0.000 0.803 687 L CB 1.667 43.471 42.059 -0.426 0.000 1.207 687 L HN 0.734 nan 8.230 nan 0.000 0.445 688 T N 3.876 118.166 114.554 -0.440 0.000 2.770 688 T HA 0.500 4.843 4.350 -0.012 0.000 0.283 688 T C -0.246 174.330 174.700 -0.206 0.000 0.988 688 T CA -0.164 61.668 62.100 -0.447 0.000 0.957 688 T CB 0.819 69.249 68.868 -0.729 0.000 0.930 688 T HN 0.439 nan 8.240 nan 0.000 0.443 689 I N 3.235 123.777 120.570 -0.047 0.000 2.330 689 I HA 0.706 4.869 4.170 -0.012 0.000 0.289 689 I C 0.137 176.405 176.117 0.251 0.000 1.001 689 I CA 0.099 61.492 61.300 0.156 0.000 1.193 689 I CB 0.106 38.122 38.000 0.027 0.000 1.345 689 I HN 0.774 nan 8.210 nan 0.000 0.461 690 G N 4.060 113.068 108.800 0.346 0.000 2.600 690 G HA2 0.489 4.442 3.960 -0.012 0.000 0.293 690 G HA3 0.489 4.442 3.960 -0.012 0.000 0.293 690 G C -0.933 173.880 174.900 -0.145 0.000 1.408 690 G CA -0.352 44.856 45.100 0.179 0.000 0.782 690 G HN 0.558 nan 8.290 nan 0.000 0.482 691 T N -1.759 112.595 114.554 -0.333 0.000 2.902 691 T HA 0.535 4.878 4.350 -0.012 0.000 0.280 691 T C 0.607 175.185 174.700 -0.202 0.000 0.992 691 T CA -0.731 61.100 62.100 -0.449 0.000 1.015 691 T CB 1.282 69.885 68.868 -0.442 0.000 1.044 691 T HN 0.240 nan 8.240 nan 0.000 0.520 692 M N 2.915 122.408 119.600 -0.178 0.000 3.442 692 M HA 0.339 4.812 4.480 -0.012 0.000 0.232 692 M C -0.482 175.762 176.300 -0.094 0.000 1.508 692 M CA -0.064 55.166 55.300 -0.117 0.000 1.647 692 M CB -1.835 30.706 32.600 -0.099 0.000 1.126 692 M HN 0.735 nan 8.290 nan 0.000 0.557 693 D N -0.153 120.196 120.400 -0.084 0.000 2.601 693 D HA 0.687 5.319 4.640 -0.012 0.000 0.230 693 D C 0.772 177.046 176.300 -0.042 0.000 1.106 693 D CA 0.671 54.637 54.000 -0.056 0.000 0.873 693 D CB 1.726 42.494 40.800 -0.053 0.000 1.515 693 D HN 0.576 nan 8.370 nan 0.000 0.468 694 G N 1.391 110.178 108.800 -0.021 0.000 2.632 694 G HA2 -0.278 3.675 3.960 -0.012 0.000 0.322 694 G HA3 -0.278 3.675 3.960 -0.012 0.000 0.322 694 G C 1.057 175.947 174.900 -0.017 0.000 1.326 694 G CA 1.287 46.380 45.100 -0.012 0.000 0.986 694 G HN 1.017 nan 8.290 nan 0.000 0.541 695 A N -0.440 122.362 122.820 -0.029 0.000 2.168 695 A HA 0.076 4.389 4.320 -0.012 0.000 0.215 695 A C 2.129 179.642 177.584 -0.119 0.000 1.152 695 A CA 1.851 53.861 52.037 -0.046 0.000 0.716 695 A CB -0.452 18.500 19.000 -0.079 0.000 0.794 695 A HN 0.617 nan 8.150 nan 0.000 0.465 696 N N 0.518 119.156 118.700 -0.105 0.000 2.137 696 N HA -0.161 4.572 4.740 -0.012 0.000 0.190 696 N C 1.590 176.964 175.510 -0.227 0.000 1.017 696 N CA 1.642 54.621 53.050 -0.119 0.000 0.859 696 N CB -0.598 37.863 38.487 -0.044 0.000 1.002 696 N HN 0.293 nan 8.380 nan 0.000 0.428 697 V N 1.154 120.979 119.914 -0.148 0.000 2.295 697 V HA -0.208 3.904 4.120 -0.012 0.000 0.246 697 V C 1.917 177.934 176.094 -0.127 0.000 1.049 697 V CA 1.684 63.898 62.300 -0.145 0.000 1.024 697 V CB -0.492 31.283 31.823 -0.079 0.000 0.648 697 V HN 0.359 nan 8.190 nan 0.000 0.447 698 E N -0.673 119.509 120.200 -0.029 0.000 2.208 698 E HA -0.116 4.227 4.350 -0.012 0.000 0.193 698 E C 2.173 178.894 176.600 0.201 0.000 0.988 698 E CA 0.943 57.404 56.400 0.102 0.000 0.828 698 E CB -0.147 29.700 29.700 0.245 0.000 0.763 698 E HN 0.557 nan 8.360 nan 0.000 0.478 699 M N 0.249 119.848 119.600 -0.002 0.000 2.123 699 M HA -0.080 4.393 4.480 -0.012 0.000 0.263 699 M C 2.465 178.569 176.300 -0.327 0.000 1.069 699 M CA 1.391 56.650 55.300 -0.069 0.000 1.133 699 M CB -0.085 32.355 32.600 -0.266 0.000 1.356 699 M HN 0.130 nan 8.290 nan 0.000 0.415 700 A N 0.061 122.373 122.820 -0.848 0.000 1.933 700 A HA -0.214 4.099 4.320 -0.012 0.000 0.218 700 A C 1.970 179.359 177.584 -0.325 0.000 1.175 700 A CA 1.941 53.417 52.037 -0.935 0.000 0.628 700 A CB -0.816 17.626 19.000 -0.930 0.000 0.814 700 A HN 0.597 nan 8.150 nan 0.000 0.444 701 E N -0.439 119.635 120.200 -0.209 0.000 2.153 701 E HA -0.206 4.136 4.350 -0.012 0.000 0.194 701 E C 1.647 178.219 176.600 -0.046 0.000 0.988 701 E CA 1.231 57.573 56.400 -0.097 0.000 0.811 701 E CB -0.055 29.606 29.700 -0.064 0.000 0.746 701 E HN 0.553 nan 8.360 nan 0.000 0.466 702 E N -0.119 120.079 120.200 -0.003 0.000 2.112 702 E HA -0.046 4.296 4.350 -0.012 0.000 0.190 702 E C 1.702 178.327 176.600 0.042 0.000 0.979 702 E CA 1.001 57.422 56.400 0.035 0.000 0.814 702 E CB 0.148 29.916 29.700 0.113 0.000 0.762 702 E HN 0.364 nan 8.360 nan 0.000 0.460 703 A N 0.307 123.159 122.820 0.054 0.000 2.147 703 A HA 0.401 4.713 4.320 -0.012 0.000 0.211 703 A C 0.954 178.561 177.584 0.038 0.000 1.160 703 A CA 0.895 52.980 52.037 0.080 0.000 0.781 703 A CB 0.251 19.361 19.000 0.184 0.000 0.842 703 A HN 0.196 nan 8.150 nan 0.000 0.475 704 G N -0.248 108.549 108.800 -0.006 0.000 3.338 704 G HA2 -0.097 3.856 3.960 -0.012 0.000 0.686 704 G HA3 -0.097 3.856 3.960 -0.012 0.000 0.686 704 G C -0.057 174.831 174.900 -0.021 0.000 1.053 704 G CA -0.012 45.075 45.100 -0.020 0.000 0.852 704 G HN 0.255 nan 8.290 nan 0.000 0.545 705 E N 0.820 120.992 120.200 -0.048 0.000 2.333 705 E HA -0.163 4.180 4.350 -0.012 0.000 0.200 705 E C 2.007 178.593 176.600 -0.023 0.000 1.010 705 E CA 1.730 58.107 56.400 -0.038 0.000 0.841 705 E CB 0.087 29.759 29.700 -0.047 0.000 0.757 705 E HN 0.796 nan 8.360 nan 0.000 0.508 706 E N 0.389 120.564 120.200 -0.041 0.000 2.347 706 E HA -0.062 4.281 4.350 -0.012 0.000 0.196 706 E C 0.835 177.352 176.600 -0.139 0.000 1.008 706 E CA 0.583 56.936 56.400 -0.077 0.000 0.852 706 E CB 0.098 29.766 29.700 -0.054 0.000 0.783 706 E HN 0.150 nan 8.360 nan 0.000 0.505 707 N N -0.214 118.434 118.700 -0.086 0.000 2.273 707 N HA 0.159 4.891 4.740 -0.012 0.000 0.231 707 N C -1.009 174.424 175.510 -0.129 0.000 1.134 707 N CA 0.070 53.040 53.050 -0.134 0.000 0.856 707 N CB 0.441 38.903 38.487 -0.041 0.000 1.068 707 N HN 0.039 nan 8.380 nan 0.000 0.510 708 F N -0.343 119.393 119.950 -0.356 0.000 2.588 708 F HA 0.409 4.927 4.527 -0.013 0.000 0.310 708 F C -0.842 174.728 175.800 -0.383 0.000 1.082 708 F CA -1.039 56.788 58.000 -0.289 0.000 0.929 708 F CB 1.430 40.352 39.000 -0.130 0.000 1.254 708 F HN -0.211 nan 8.300 nan 0.000 0.455 709 F N 5.238 125.214 119.950 0.042 0.000 2.359 709 F HA 0.431 4.951 4.527 -0.012 0.000 0.355 709 F C -0.379 175.560 175.800 0.231 0.000 1.132 709 F CA -0.483 57.574 58.000 0.094 0.000 1.246 709 F CB -0.015 38.987 39.000 0.004 0.000 1.569 709 F HN 0.050 nan 8.300 nan 0.000 0.561 710 I N 3.535 124.309 120.570 0.341 0.000 2.440 710 I HA 0.437 4.599 4.170 -0.012 0.000 0.294 710 I C -0.114 176.178 176.117 0.290 0.000 0.995 710 I CA -0.465 60.989 61.300 0.257 0.000 1.306 710 I CB 0.719 38.789 38.000 0.116 0.000 1.407 710 I HN 0.368 nan 8.210 nan 0.000 0.501 711 F N 2.846 122.864 119.950 0.112 0.000 2.789 711 F HA 0.906 5.426 4.527 -0.013 0.000 0.319 711 F C 0.093 175.935 175.800 0.071 0.000 1.168 711 F CA -0.573 57.484 58.000 0.096 0.000 0.934 711 F CB 0.690 39.763 39.000 0.121 0.000 1.375 711 F HN 0.866 nan 8.300 nan 0.000 0.480 712 G N 0.956 109.843 108.800 0.146 0.000 2.855 712 G HA2 -0.137 3.815 3.960 -0.012 0.000 0.352 712 G HA3 -0.137 3.815 3.960 -0.012 0.000 0.352 712 G C -0.728 174.150 174.900 -0.036 0.000 1.415 712 G CA -0.461 44.653 45.100 0.023 0.000 0.871 712 G HN 0.974 nan 8.290 nan 0.000 0.543 713 M N 0.582 120.173 119.600 -0.016 0.000 2.250 713 M HA 0.250 4.723 4.480 -0.012 0.000 0.325 713 M C 1.201 177.470 176.300 -0.051 0.000 1.084 713 M CA 0.204 55.498 55.300 -0.009 0.000 1.161 713 M CB 0.332 32.935 32.600 0.004 0.000 1.481 713 M HN 0.561 nan 8.290 nan 0.000 0.449 714 R N 1.276 121.758 120.500 -0.029 0.000 2.700 714 R HA 0.349 4.681 4.340 -0.012 0.000 0.253 714 R C 1.111 177.394 176.300 -0.029 0.000 1.091 714 R CA -0.690 55.386 56.100 -0.040 0.000 1.104 714 R CB -0.002 30.281 30.300 -0.028 0.000 1.202 714 R HN 0.563 nan 8.270 nan 0.000 0.532 715 V N 1.894 121.790 119.914 -0.031 0.000 2.282 715 V HA -0.281 3.832 4.120 -0.012 0.000 0.249 715 V C 2.161 178.245 176.094 -0.016 0.000 1.057 715 V CA 2.213 64.498 62.300 -0.024 0.000 1.032 715 V CB -0.463 31.343 31.823 -0.027 0.000 0.645 715 V HN 0.660 nan 8.190 nan 0.000 0.447 716 E N -0.015 120.177 120.200 -0.013 0.000 2.085 716 E HA -0.247 4.096 4.350 -0.012 0.000 0.194 716 E C 1.792 178.397 176.600 0.008 0.000 0.994 716 E CA 1.572 57.969 56.400 -0.004 0.000 0.801 716 E CB -0.768 28.930 29.700 -0.003 0.000 0.743 716 E HN 0.633 nan 8.360 nan 0.000 0.453 717 D N 1.165 121.572 120.400 0.012 0.000 2.117 717 D HA -0.091 4.542 4.640 -0.012 0.000 0.197 717 D C 2.229 178.548 176.300 0.031 0.000 0.987 717 D CA 1.069 55.086 54.000 0.029 0.000 0.829 717 D CB -0.019 40.802 40.800 0.035 0.000 0.961 717 D HN 0.062 nan 8.370 nan 0.000 0.460 718 V N 1.916 121.836 119.914 0.010 0.000 2.295 718 V HA -0.218 3.894 4.120 -0.012 0.000 0.246 718 V C 1.999 178.096 176.094 0.005 0.000 1.049 718 V CA 1.726 64.025 62.300 -0.002 0.000 1.024 718 V CB -0.399 31.413 31.823 -0.019 0.000 0.648 718 V HN 0.045 nan 8.190 nan 0.000 0.447 719 D N -0.413 119.990 120.400 0.004 0.000 2.144 719 D HA -0.140 4.492 4.640 -0.012 0.000 0.199 719 D C 2.369 178.683 176.300 0.022 0.000 0.984 719 D CA 1.102 55.106 54.000 0.007 0.000 0.834 719 D CB -0.224 40.575 40.800 -0.001 0.000 0.955 719 D HN 0.311 nan 8.370 nan 0.000 0.465 720 R N 0.196 120.714 120.500 0.030 0.000 2.073 720 R HA -0.033 4.300 4.340 -0.012 0.000 0.234 720 R C 2.472 178.809 176.300 0.061 0.000 1.134 720 R CA 0.596 56.721 56.100 0.042 0.000 0.952 720 R CB -0.374 29.953 30.300 0.045 0.000 0.850 720 R HN 0.171 nan 8.270 nan 0.000 0.433 721 L N 0.551 121.821 121.223 0.078 0.000 2.083 721 L HA -0.225 4.107 4.340 -0.012 0.000 0.209 721 L C 1.407 178.346 176.870 0.114 0.000 1.083 721 L CA 1.432 56.346 54.840 0.123 0.000 0.752 721 L CB -0.277 41.874 42.059 0.152 0.000 0.899 721 L HN 0.288 nan 8.230 nan 0.000 0.433 722 D N -0.896 119.545 120.400 0.070 0.000 2.149 722 D HA -0.159 4.474 4.640 -0.012 0.000 0.201 722 D C 2.291 178.623 176.300 0.053 0.000 0.972 722 D CA 0.783 54.817 54.000 0.057 0.000 0.835 722 D CB 0.044 40.857 40.800 0.021 0.000 0.966 722 D HN 0.380 nan 8.370 nan 0.000 0.476 723 Q N 0.582 120.409 119.800 0.044 0.000 2.020 723 Q HA -0.114 4.218 4.340 -0.012 0.000 0.202 723 Q C 2.282 178.310 176.000 0.046 0.000 0.982 723 Q CA 0.853 56.679 55.803 0.037 0.000 0.838 723 Q CB -0.419 28.338 28.738 0.031 0.000 0.899 723 Q HN 0.307 nan 8.270 nan 0.000 0.423 724 R N 0.245 120.779 120.500 0.058 0.000 2.080 724 R HA -0.060 4.272 4.340 -0.012 0.000 0.236 724 R C 0.287 176.628 176.300 0.068 0.000 1.137 724 R CA 1.330 57.467 56.100 0.061 0.000 0.943 724 R CB -0.164 30.182 30.300 0.076 0.000 0.846 724 R HN 0.418 nan 8.270 nan 0.000 0.431 725 G N -0.656 108.202 108.800 0.096 0.000 3.326 725 G HA2 -0.198 3.755 3.960 -0.012 0.000 0.681 725 G HA3 -0.198 3.755 3.960 -0.012 0.000 0.681 725 G C -1.513 173.484 174.900 0.162 0.000 1.255 725 G CA -0.563 44.602 45.100 0.108 0.000 0.976 725 G HN 0.293 nan 8.290 nan 0.000 0.563 726 Y N 3.801 124.138 120.300 0.060 0.000 2.393 726 Y HA 0.583 5.125 4.550 -0.012 0.000 0.338 726 Y C 0.335 176.294 175.900 0.098 0.000 1.029 726 Y CA -0.807 57.348 58.100 0.092 0.000 1.239 726 Y CB 0.942 39.437 38.460 0.059 0.000 1.170 726 Y HN 0.566 nan 8.280 nan 0.000 0.515 727 N N 5.098 123.564 118.700 -0.389 0.000 2.524 727 N HA 0.294 5.026 4.740 -0.012 0.000 0.261 727 N C 0.042 175.296 175.510 -0.426 0.000 0.998 727 N CA 0.248 53.095 53.050 -0.339 0.000 0.915 727 N CB 1.635 40.049 38.487 -0.122 0.000 1.187 727 N HN 0.876 nan 8.380 nan 0.000 0.507 728 A N 3.097 125.618 122.820 -0.499 0.000 2.019 728 A HA -0.193 4.120 4.320 -0.012 0.000 0.219 728 A C 1.945 179.665 177.584 0.226 0.000 1.164 728 A CA 1.266 53.251 52.037 -0.086 0.000 0.644 728 A CB -0.286 18.628 19.000 -0.144 0.000 0.805 728 A HN 0.767 nan 8.150 nan 0.000 0.449 729 Q N 0.281 120.110 119.800 0.047 0.000 2.112 729 Q HA -0.235 4.097 4.340 -0.012 0.000 0.206 729 Q C 1.887 177.961 176.000 0.123 0.000 0.987 729 Q CA 2.305 58.152 55.803 0.073 0.000 0.858 729 Q CB -0.346 28.394 28.738 0.003 0.000 0.905 729 Q HN 0.755 nan 8.270 nan 0.000 0.420 730 E N -1.214 118.995 120.200 0.014 0.000 2.048 730 E HA -0.263 4.079 4.350 -0.012 0.000 0.202 730 E C 1.778 178.311 176.600 -0.112 0.000 1.021 730 E CA 1.803 58.138 56.400 -0.109 0.000 0.825 730 E CB -0.298 29.228 29.700 -0.290 0.000 0.756 730 E HN 0.559 nan 8.360 nan 0.000 0.454 731 Y N -1.148 119.200 120.300 0.080 0.000 2.256 731 Y HA -0.244 4.299 4.550 -0.013 0.000 0.288 731 Y C 2.185 178.054 175.900 -0.051 0.000 1.155 731 Y CA 1.599 59.729 58.100 0.050 0.000 1.203 731 Y CB -0.613 37.928 38.460 0.135 0.000 0.980 731 Y HN 0.304 nan 8.280 nan 0.000 0.530 732 Y N 0.945 121.245 120.300 -0.000 0.000 2.242 732 Y HA -0.212 4.330 4.550 -0.012 0.000 0.291 732 Y C 1.859 177.709 175.900 -0.083 0.000 1.137 732 Y CA 1.640 59.667 58.100 -0.122 0.000 1.181 732 Y CB -0.264 38.174 38.460 -0.036 0.000 0.989 732 Y HN 0.047 nan 8.280 nan 0.000 0.527 733 D N -0.171 120.292 120.400 0.105 0.000 2.149 733 D HA -0.100 4.533 4.640 -0.012 0.000 0.201 733 D C 1.943 178.202 176.300 -0.068 0.000 0.972 733 D CA 1.139 55.150 54.000 0.019 0.000 0.835 733 D CB -0.077 40.760 40.800 0.062 0.000 0.966 733 D HN 0.463 nan 8.370 nan 0.000 0.476 734 R N 0.050 120.513 120.500 -0.062 0.000 2.276 734 R HA 0.188 4.520 4.340 -0.012 0.000 0.196 734 R C 0.478 176.745 176.300 -0.054 0.000 0.961 734 R CA 0.179 56.245 56.100 -0.057 0.000 1.024 734 R CB 0.613 30.880 30.300 -0.054 0.000 0.940 734 R HN 0.179 nan 8.270 nan 0.000 0.480 735 I N 2.454 122.971 120.570 -0.088 0.000 2.390 735 I HA 0.204 4.367 4.170 -0.012 0.000 0.283 735 I C -1.841 174.171 176.117 -0.174 0.000 1.016 735 I CA -2.417 58.835 61.300 -0.080 0.000 1.151 735 I CB 2.234 40.218 38.000 -0.026 0.000 1.293 735 I HN -0.258 nan 8.210 nan 0.000 0.458 736 P HA -0.150 nan 4.420 nan 0.000 0.215 736 P C 1.214 178.416 177.300 -0.162 0.000 1.153 736 P CA 1.285 64.288 63.100 -0.163 0.000 0.853 736 P CB 0.296 31.934 31.700 -0.104 0.000 0.788 737 E N -0.895 119.250 120.200 -0.092 0.000 2.110 737 E HA -0.180 4.163 4.350 -0.012 0.000 0.193 737 E C 1.862 178.377 176.600 -0.141 0.000 0.988 737 E CA 0.837 57.204 56.400 -0.055 0.000 0.804 737 E CB -0.607 29.133 29.700 0.067 0.000 0.745 737 E HN 0.108 nan 8.360 nan 0.000 0.458 738 L N 1.338 122.390 121.223 -0.285 0.000 2.027 738 L HA -0.135 4.198 4.340 -0.012 0.000 0.206 738 L C 2.375 178.982 176.870 -0.438 0.000 1.074 738 L CA 1.669 56.171 54.840 -0.563 0.000 0.745 738 L CB -0.463 41.118 42.059 -0.795 0.000 0.898 738 L HN -0.075 nan 8.230 nan 0.000 0.433 739 R N -0.755 119.453 120.500 -0.486 0.000 2.083 739 R HA -0.254 4.079 4.340 -0.012 0.000 0.237 739 R C 2.399 178.532 176.300 -0.279 0.000 1.137 739 R CA 2.093 57.818 56.100 -0.625 0.000 0.951 739 R CB -0.430 29.419 30.300 -0.751 0.000 0.851 739 R HN 0.622 nan 8.270 nan 0.000 0.434 740 Q N 0.402 120.076 119.800 -0.210 0.000 2.135 740 Q HA -0.196 4.136 4.340 -0.012 0.000 0.204 740 Q C 2.070 178.028 176.000 -0.071 0.000 0.981 740 Q CA 1.940 57.668 55.803 -0.125 0.000 0.856 740 Q CB -0.106 28.561 28.738 -0.120 0.000 0.902 740 Q HN 0.500 nan 8.270 nan 0.000 0.425 741 I N 0.044 120.575 120.570 -0.066 0.000 2.202 741 I HA -0.286 3.877 4.170 -0.012 0.000 0.242 741 I C 2.147 178.307 176.117 0.072 0.000 1.091 741 I CA 0.843 62.153 61.300 0.016 0.000 1.368 741 I CB -0.208 37.779 38.000 -0.021 0.000 1.058 741 I HN 0.223 nan 8.210 nan 0.000 0.410 742 I N 0.766 121.371 120.570 0.057 0.000 2.264 742 I HA -0.279 3.883 4.170 -0.012 0.000 0.248 742 I C 2.397 178.619 176.117 0.176 0.000 1.111 742 I CA 1.624 63.020 61.300 0.160 0.000 1.382 742 I CB -0.374 37.799 38.000 0.288 0.000 1.060 742 I HN 0.205 nan 8.210 nan 0.000 0.418 743 E N -0.380 119.905 120.200 0.142 0.000 2.208 743 E HA -0.213 4.129 4.350 -0.012 0.000 0.193 743 E C 2.110 178.779 176.600 0.114 0.000 0.988 743 E CA 0.581 57.056 56.400 0.126 0.000 0.828 743 E CB -0.085 29.664 29.700 0.083 0.000 0.763 743 E HN 0.586 nan 8.360 nan 0.000 0.478 744 Q N 0.500 120.363 119.800 0.107 0.000 2.079 744 Q HA -0.077 4.255 4.340 -0.012 0.000 0.200 744 Q C 2.256 178.444 176.000 0.313 0.000 0.974 744 Q CA 0.865 56.750 55.803 0.137 0.000 0.840 744 Q CB 0.117 28.904 28.738 0.082 0.000 0.898 744 Q HN 0.275 nan 8.270 nan 0.000 0.430 745 L N -0.503 120.915 121.223 0.324 0.000 2.056 745 L HA -0.150 4.183 4.340 -0.012 0.000 0.207 745 L C 2.408 179.457 176.870 0.297 0.000 1.078 745 L CA 0.803 55.847 54.840 0.340 0.000 0.749 745 L CB -0.296 41.885 42.059 0.204 0.000 0.901 745 L HN 0.126 nan 8.230 nan 0.000 0.433 746 S N -0.376 115.457 115.700 0.222 0.000 2.402 746 S HA -0.136 4.327 4.470 -0.012 0.000 0.229 746 S C 2.048 176.746 174.600 0.165 0.000 1.021 746 S CA 1.522 59.831 58.200 0.181 0.000 0.974 746 S CB -0.111 63.177 63.200 0.146 0.000 0.800 746 S HN 0.597 nan 8.310 nan 0.000 0.484 747 S N -0.098 115.702 115.700 0.166 0.000 2.558 747 S HA 0.366 4.829 4.470 -0.012 0.000 0.217 747 S C 1.348 176.038 174.600 0.150 0.000 0.975 747 S CA 0.686 58.969 58.200 0.139 0.000 0.912 747 S CB 0.241 63.512 63.200 0.117 0.000 0.776 747 S HN 0.725 nan 8.310 nan 0.000 0.526 748 G N 0.837 109.757 108.800 0.201 0.000 2.131 748 G HA2 -0.295 3.658 3.960 -0.012 0.000 0.223 748 G HA3 -0.295 3.658 3.960 -0.012 0.000 0.223 748 G C 0.222 175.209 174.900 0.144 0.000 0.990 748 G CA 0.123 45.331 45.100 0.181 0.000 0.671 748 G HN 0.550 nan 8.290 nan 0.000 0.521 749 F N 0.433 120.384 119.950 0.001 0.000 2.202 749 F HA 0.172 4.691 4.527 -0.013 0.000 0.301 749 F C 1.783 177.392 175.800 -0.318 0.000 1.082 749 F CA 1.926 59.808 58.000 -0.196 0.000 1.313 749 F CB -0.092 38.708 39.000 -0.333 0.000 1.024 749 F HN 0.166 nan 8.300 nan 0.000 0.495 750 F N -0.357 119.619 119.950 0.044 0.000 2.695 750 F HA 0.221 4.740 4.527 -0.013 0.000 0.303 750 F C 0.641 176.494 175.800 0.088 0.000 1.091 750 F CA 0.261 58.244 58.000 -0.028 0.000 1.300 750 F CB -0.107 38.909 39.000 0.028 0.000 1.071 750 F HN -0.036 nan 8.300 nan 0.000 0.578 751 S N -1.517 114.318 115.700 0.225 0.000 2.386 751 S HA 0.320 4.783 4.470 -0.012 0.000 0.152 751 S C -2.469 172.159 174.600 0.048 0.000 1.511 751 S CA -1.083 57.198 58.200 0.136 0.000 1.246 751 S CB 1.079 64.347 63.200 0.114 0.000 1.338 751 S HN -0.190 nan 8.310 nan 0.000 0.409 752 P HA -0.113 nan 4.420 nan 0.000 0.214 752 P C 1.203 178.502 177.300 -0.001 0.000 1.163 752 P CA 1.394 64.484 63.100 -0.017 0.000 0.883 752 P CB 0.092 31.761 31.700 -0.050 0.000 0.788 753 K N -0.930 119.468 120.400 -0.003 0.000 2.148 753 K HA -0.085 4.227 4.320 -0.012 0.000 0.204 753 K C 0.633 177.236 176.600 0.005 0.000 1.050 753 K CA 1.027 57.315 56.287 0.001 0.000 0.942 753 K CB -0.203 32.298 32.500 0.002 0.000 0.724 753 K HN 0.336 nan 8.250 nan 0.000 0.446 754 Q N -0.382 119.419 119.800 0.002 0.000 3.064 754 Q HA 0.158 4.491 4.340 -0.012 0.000 0.258 754 Q C -2.359 173.640 176.000 -0.002 0.000 0.972 754 Q CA -1.604 54.196 55.803 -0.006 0.000 0.761 754 Q CB 1.594 30.321 28.738 -0.019 0.000 1.281 754 Q HN -0.094 nan 8.270 nan 0.000 0.455 755 P HA -0.242 nan 4.420 nan 0.000 0.217 755 P C 0.648 177.991 177.300 0.072 0.000 1.148 755 P CA 1.458 64.593 63.100 0.059 0.000 0.828 755 P CB 0.210 31.943 31.700 0.055 0.000 0.783 756 D N -1.072 119.354 120.400 0.043 0.000 2.342 756 D HA -0.019 4.614 4.640 -0.012 0.000 0.221 756 D C 1.643 177.952 176.300 0.015 0.000 1.101 756 D CA -0.200 53.832 54.000 0.054 0.000 0.837 756 D CB -0.471 40.358 40.800 0.048 0.000 0.938 756 D HN 0.020 nan 8.370 nan 0.000 0.508 757 L N 0.204 121.379 121.223 -0.080 0.000 2.051 757 L HA -0.135 4.197 4.340 -0.012 0.000 0.214 757 L C 0.942 177.608 176.870 -0.339 0.000 1.076 757 L CA 1.678 56.351 54.840 -0.278 0.000 0.758 757 L CB -0.651 41.072 42.059 -0.561 0.000 0.890 757 L HN -0.057 nan 8.230 nan 0.000 0.433 758 F N -0.307 119.698 119.950 0.092 0.000 2.730 758 F HA 0.190 4.709 4.527 -0.012 0.000 0.295 758 F C 1.736 177.589 175.800 0.088 0.000 1.143 758 F CA -0.095 57.951 58.000 0.076 0.000 1.367 758 F CB -0.711 38.321 39.000 0.054 0.000 0.970 758 F HN 0.154 nan 8.300 nan 0.000 0.514 759 K N -0.930 119.590 120.400 0.200 0.000 2.211 759 K HA -0.126 4.186 4.320 -0.012 0.000 0.203 759 K C 0.955 177.661 176.600 0.175 0.000 1.050 759 K CA 1.682 58.070 56.287 0.170 0.000 0.945 759 K CB -0.144 32.432 32.500 0.126 0.000 0.732 759 K HN 0.036 nan 8.250 nan 0.000 0.451 760 D N 1.279 121.796 120.400 0.194 0.000 2.144 760 D HA -0.050 4.582 4.640 -0.012 0.000 0.200 760 D C 1.981 178.395 176.300 0.190 0.000 0.978 760 D CA 0.986 55.112 54.000 0.210 0.000 0.833 760 D CB -0.063 40.899 40.800 0.269 0.000 0.961 760 D HN 0.285 nan 8.370 nan 0.000 0.470 761 I N 0.378 121.058 120.570 0.183 0.000 2.202 761 I HA -0.206 3.956 4.170 -0.012 0.000 0.242 761 I C 2.437 178.611 176.117 0.095 0.000 1.091 761 I CA 0.561 61.938 61.300 0.129 0.000 1.368 761 I CB -0.170 37.901 38.000 0.118 0.000 1.058 761 I HN -0.133 nan 8.210 nan 0.000 0.410 762 V N 0.978 120.963 119.914 0.119 0.000 2.261 762 V HA -0.333 3.780 4.120 -0.012 0.000 0.246 762 V C 2.171 178.276 176.094 0.017 0.000 1.047 762 V CA 2.548 64.900 62.300 0.086 0.000 1.015 762 V CB -1.023 30.871 31.823 0.118 0.000 0.642 762 V HN 0.493 nan 8.190 nan 0.000 0.446 763 N N -0.430 118.312 118.700 0.071 0.000 2.061 763 N HA -0.262 4.471 4.740 -0.012 0.000 0.193 763 N C 1.986 177.462 175.510 -0.057 0.000 1.030 763 N CA 2.008 55.106 53.050 0.080 0.000 0.856 763 N CB -0.185 38.422 38.487 0.200 0.000 1.023 763 N HN 0.392 nan 8.380 nan 0.000 0.424 764 M N 0.082 119.714 119.600 0.052 0.000 2.086 764 M HA -0.145 4.328 4.480 -0.012 0.000 0.261 764 M C 1.575 177.803 176.300 -0.119 0.000 1.067 764 M CA 1.365 56.707 55.300 0.071 0.000 1.116 764 M CB -0.450 32.264 32.600 0.191 0.000 1.348 764 M HN 0.244 nan 8.290 nan 0.000 0.407 765 L N 0.856 121.990 121.223 -0.148 0.000 2.079 765 L HA -0.221 4.112 4.340 -0.012 0.000 0.210 765 L C 2.429 178.993 176.870 -0.510 0.000 1.081 765 L CA 1.710 56.344 54.840 -0.343 0.000 0.752 765 L CB -1.072 40.826 42.059 -0.268 0.000 0.896 765 L HN 0.403 nan 8.230 nan 0.000 0.433 766 M N -2.170 117.170 119.600 -0.433 0.000 2.334 766 M HA -0.038 4.434 4.480 -0.012 0.000 0.266 766 M C 1.805 177.668 176.300 -0.729 0.000 1.082 766 M CA 1.207 56.161 55.300 -0.576 0.000 1.141 766 M CB -0.676 31.469 32.600 -0.758 0.000 1.380 766 M HN 0.322 nan 8.290 nan 0.000 0.440 767 H N -1.663 117.195 119.070 -0.354 0.000 2.927 767 H HA 0.210 4.759 4.556 -0.012 0.000 0.255 767 H C 0.123 175.192 175.328 -0.432 0.000 0.974 767 H CA 0.645 56.425 56.048 -0.447 0.000 1.199 767 H CB 0.252 29.682 29.762 -0.553 0.000 1.447 767 H HN 0.549 nan 8.280 nan 0.000 0.467 768 H N -0.416 118.712 119.070 0.097 0.000 2.779 768 H HA 0.195 4.743 4.556 -0.013 0.000 0.230 768 H C -0.841 174.504 175.328 0.029 0.000 1.365 768 H CA -0.493 55.598 56.048 0.072 0.000 1.086 768 H CB 0.461 30.269 29.762 0.076 0.000 2.038 768 H HN -0.074 nan 8.280 nan 0.000 0.558 769 D N 1.484 121.922 120.400 0.063 0.000 2.374 769 D HA 0.091 4.723 4.640 -0.012 0.000 0.240 769 D C 0.949 177.172 176.300 -0.129 0.000 1.229 769 D CA -0.191 53.807 54.000 -0.003 0.000 0.895 769 D CB 0.586 41.359 40.800 -0.044 0.000 1.046 769 D HN 0.395 nan 8.370 nan 0.000 0.498 770 R N 2.256 122.586 120.500 -0.283 0.000 2.235 770 R HA -0.039 4.293 4.340 -0.012 0.000 0.213 770 R C 0.531 176.264 176.300 -0.945 0.000 1.059 770 R CA 0.807 56.517 56.100 -0.650 0.000 0.997 770 R CB 0.155 29.878 30.300 -0.962 0.000 0.884 770 R HN 0.396 nan 8.270 nan 0.000 0.462 771 F N 1.322 121.220 119.950 -0.088 0.000 2.708 771 F HA 0.214 4.734 4.527 -0.012 0.000 0.300 771 F C -0.042 175.622 175.800 -0.226 0.000 1.118 771 F CA -0.869 57.062 58.000 -0.114 0.000 1.307 771 F CB 0.140 39.132 39.000 -0.013 0.000 0.986 771 F HN -0.202 nan 8.300 nan 0.000 0.522 772 K N -0.670 119.497 120.400 -0.388 0.000 4.166 772 K HA -0.203 4.109 4.320 -0.012 0.000 0.276 772 K C 0.749 177.221 176.600 -0.215 0.000 0.808 772 K CA 0.234 56.126 56.287 -0.658 0.000 0.717 772 K CB -1.843 30.074 32.500 -0.972 0.000 1.774 772 K HN 0.296 nan 8.250 nan 0.000 0.427 773 V N 0.627 120.488 119.914 -0.088 0.000 2.343 773 V HA -0.248 3.864 4.120 -0.012 0.000 0.247 773 V C 2.101 178.324 176.094 0.216 0.000 1.051 773 V CA 1.875 64.206 62.300 0.050 0.000 1.036 773 V CB -0.577 31.274 31.823 0.046 0.000 0.654 773 V HN 0.500 nan 8.190 nan 0.000 0.451 774 F N 0.914 120.871 119.950 0.012 0.000 2.216 774 F HA -0.090 4.430 4.527 -0.013 0.000 0.300 774 F C 2.483 178.068 175.800 -0.359 0.000 1.085 774 F CA 0.821 58.770 58.000 -0.086 0.000 1.326 774 F CB -1.553 37.411 39.000 -0.060 0.000 1.027 774 F HN 0.167 nan 8.300 nan 0.000 0.497 775 A N -0.573 122.097 122.820 -0.249 0.000 2.019 775 A HA -0.172 4.140 4.320 -0.012 0.000 0.219 775 A C 1.628 179.211 177.584 -0.001 0.000 1.164 775 A CA 1.995 53.820 52.037 -0.354 0.000 0.644 775 A CB -0.523 18.410 19.000 -0.111 0.000 0.805 775 A HN 0.223 nan 8.150 nan 0.000 0.449 776 D N -3.062 117.400 120.400 0.103 0.000 2.398 776 D HA 0.116 4.748 4.640 -0.012 0.000 0.210 776 D C 1.103 177.578 176.300 0.292 0.000 1.094 776 D CA -0.115 54.022 54.000 0.228 0.000 0.839 776 D CB -0.107 40.839 40.800 0.243 0.000 0.963 776 D HN 0.533 nan 8.370 nan 0.000 0.506 777 Y N 2.101 122.490 120.300 0.149 0.000 2.070 777 Y HA -0.214 4.328 4.550 -0.012 0.000 0.280 777 Y C 2.047 178.035 175.900 0.146 0.000 1.148 777 Y CA 1.918 60.117 58.100 0.165 0.000 1.125 777 Y CB 0.120 38.651 38.460 0.118 0.000 0.975 777 Y HN -0.104 nan 8.280 nan 0.000 0.492 778 E N -0.036 120.261 120.200 0.162 0.000 2.049 778 E HA -0.281 4.061 4.350 -0.012 0.000 0.198 778 E C 2.205 178.789 176.600 -0.026 0.000 1.007 778 E CA 1.732 58.152 56.400 0.032 0.000 0.809 778 E CB -0.239 29.569 29.700 0.179 0.000 0.749 778 E HN 0.630 nan 8.360 nan 0.000 0.450 779 E N -0.451 119.804 120.200 0.091 0.000 2.204 779 E HA -0.183 4.159 4.350 -0.012 0.000 0.194 779 E C 1.835 178.424 176.600 -0.018 0.000 0.989 779 E CA 0.490 56.959 56.400 0.116 0.000 0.824 779 E CB -0.027 29.835 29.700 0.269 0.000 0.756 779 E HN 0.244 nan 8.360 nan 0.000 0.477 780 Y N 0.722 120.817 120.300 -0.341 0.000 2.133 780 Y HA -0.196 4.346 4.550 -0.013 0.000 0.287 780 Y C 2.195 177.696 175.900 -0.664 0.000 1.134 780 Y CA 1.496 59.066 58.100 -0.884 0.000 1.133 780 Y CB -0.609 37.404 38.460 -0.746 0.000 0.987 780 Y HN -0.030 nan 8.280 nan 0.000 0.502 781 V N -0.506 119.031 119.914 -0.628 0.000 2.515 781 V HA -0.141 3.971 4.120 -0.012 0.000 0.250 781 V C 2.206 178.074 176.094 -0.377 0.000 1.058 781 V CA 2.184 64.145 62.300 -0.566 0.000 1.064 781 V CB -0.626 30.937 31.823 -0.434 0.000 0.675 781 V HN 0.215 nan 8.190 nan 0.000 0.461 782 K N 0.010 120.248 120.400 -0.269 0.000 2.026 782 K HA -0.124 4.189 4.320 -0.012 0.000 0.208 782 K C 2.285 178.798 176.600 -0.145 0.000 1.048 782 K CA 2.055 58.254 56.287 -0.147 0.000 0.929 782 K CB -1.280 31.181 32.500 -0.065 0.000 0.713 782 K HN 0.677 nan 8.250 nan 0.000 0.439 783 C N 0.759 119.946 119.300 -0.188 0.000 2.440 783 C HA -0.063 4.389 4.460 -0.012 0.000 0.278 783 C C 2.427 177.252 174.990 -0.276 0.000 1.295 783 C CA 0.641 59.581 59.018 -0.130 0.000 1.738 783 C CB -0.705 26.987 27.740 -0.081 0.000 1.987 783 C HN 0.459 nan 8.230 nan 0.000 0.492 784 Q N 0.434 119.934 119.800 -0.500 0.000 2.170 784 Q HA -0.178 4.154 4.340 -0.012 0.000 0.203 784 Q C 1.969 177.783 176.000 -0.310 0.000 0.976 784 Q CA 1.616 57.083 55.803 -0.561 0.000 0.858 784 Q CB -0.380 27.809 28.738 -0.915 0.000 0.907 784 Q HN 0.756 nan 8.270 nan 0.000 0.433 785 E N 0.138 120.212 120.200 -0.210 0.000 2.106 785 E HA -0.132 4.211 4.350 -0.012 0.000 0.192 785 E C 2.060 178.625 176.600 -0.059 0.000 0.984 785 E CA 0.570 56.905 56.400 -0.109 0.000 0.806 785 E CB 0.065 29.719 29.700 -0.077 0.000 0.750 785 E HN 0.246 nan 8.360 nan 0.000 0.458 786 R N 0.343 120.819 120.500 -0.041 0.000 2.115 786 R HA -0.097 4.236 4.340 -0.012 0.000 0.230 786 R C 2.655 179.005 176.300 0.084 0.000 1.111 786 R CA 1.382 57.532 56.100 0.083 0.000 0.976 786 R CB -0.474 29.949 30.300 0.205 0.000 0.870 786 R HN 0.219 nan 8.270 nan 0.000 0.445 787 V N -1.486 118.286 119.914 -0.238 0.000 2.548 787 V HA -0.089 4.024 4.120 -0.012 0.000 0.249 787 V C 1.932 178.049 176.094 0.039 0.000 1.055 787 V CA 1.765 63.863 62.300 -0.336 0.000 1.065 787 V CB -0.011 31.329 31.823 -0.805 0.000 0.681 787 V HN 0.066 nan 8.190 nan 0.000 0.462 788 S N 0.843 116.511 115.700 -0.054 0.000 2.383 788 S HA 0.022 4.484 4.470 -0.012 0.000 0.227 788 S C 2.230 176.879 174.600 0.081 0.000 1.026 788 S CA 1.553 59.739 58.200 -0.022 0.000 0.981 788 S CB -0.523 62.636 63.200 -0.067 0.000 0.818 788 S HN 0.948 nan 8.310 nan 0.000 0.472 789 A N 1.098 123.979 122.820 0.101 0.000 1.898 789 A HA 0.066 4.378 4.320 -0.012 0.000 0.216 789 A C 2.043 179.740 177.584 0.188 0.000 1.181 789 A CA 0.917 53.032 52.037 0.131 0.000 0.620 789 A CB -0.567 18.504 19.000 0.119 0.000 0.819 789 A HN 0.467 nan 8.150 nan 0.000 0.442 790 L N -1.984 119.419 121.223 0.300 0.000 2.217 790 L HA -0.093 4.240 4.340 -0.012 0.000 0.211 790 L C 2.365 179.510 176.870 0.458 0.000 1.107 790 L CA 1.406 56.505 54.840 0.432 0.000 0.783 790 L CB -0.382 42.066 42.059 0.649 0.000 0.919 790 L HN 0.591 nan 8.230 nan 0.000 0.442 791 Y N 0.947 121.307 120.300 0.100 0.000 2.352 791 Y HA -0.234 4.309 4.550 -0.011 0.000 0.292 791 Y C 2.411 178.198 175.900 -0.188 0.000 1.136 791 Y CA 1.513 59.367 58.100 -0.410 0.000 1.227 791 Y CB -0.008 38.021 38.460 -0.717 0.000 0.991 791 Y HN 0.021 nan 8.280 nan 0.000 0.545 792 K N 0.069 120.473 120.400 0.007 0.000 2.442 792 K HA -0.123 4.189 4.320 -0.012 0.000 0.198 792 K C 0.313 176.883 176.600 -0.049 0.000 1.042 792 K CA 0.658 56.942 56.287 -0.005 0.000 0.958 792 K CB -0.100 32.452 32.500 0.087 0.000 0.766 792 K HN 0.050 nan 8.250 nan 0.000 0.474 793 N N 0.278 118.965 118.700 -0.022 0.000 2.976 793 N HA 0.135 4.868 4.740 -0.012 0.000 0.255 793 N C -2.441 173.066 175.510 -0.004 0.000 1.312 793 N CA -2.161 50.892 53.050 0.004 0.000 0.897 793 N CB 1.056 39.585 38.487 0.069 0.000 1.184 793 N HN -0.182 nan 8.380 nan 0.000 0.497 794 P HA -0.236 nan 4.420 nan 0.000 0.219 794 P C 1.428 178.740 177.300 0.020 0.000 1.161 794 P CA 1.369 64.394 63.100 -0.125 0.000 0.909 794 P CB 0.327 31.930 31.700 -0.161 0.000 0.793 795 R N -0.340 120.172 120.500 0.018 0.000 2.091 795 R HA -0.177 4.155 4.340 -0.012 0.000 0.238 795 R C 1.991 178.337 176.300 0.077 0.000 1.136 795 R CA 1.488 57.613 56.100 0.042 0.000 0.959 795 R CB -0.303 30.013 30.300 0.026 0.000 0.856 795 R HN 0.149 nan 8.270 nan 0.000 0.437 796 E N -0.393 119.865 120.200 0.097 0.000 2.170 796 E HA -0.190 4.152 4.350 -0.012 0.000 0.191 796 E C 1.582 178.274 176.600 0.153 0.000 0.981 796 E CA 0.499 56.963 56.400 0.106 0.000 0.830 796 E CB -0.404 29.356 29.700 0.100 0.000 0.775 796 E HN 0.504 nan 8.360 nan 0.000 0.470 797 W N 2.269 123.574 121.300 0.009 0.000 2.355 797 W HA -0.174 4.478 4.660 -0.014 0.000 0.309 797 W C 1.514 178.049 176.519 0.026 0.000 1.206 797 W CA 2.049 59.417 57.345 0.038 0.000 1.284 797 W CB -0.300 29.163 29.460 0.004 0.000 1.145 797 W HN 0.024 nan 8.180 nan 0.000 0.502 798 T N 1.123 115.829 114.554 0.253 0.000 2.833 798 T HA -0.158 4.185 4.350 -0.012 0.000 0.269 798 T C 1.814 176.540 174.700 0.044 0.000 1.054 798 T CA 1.535 63.713 62.100 0.131 0.000 1.135 798 T CB -0.278 68.647 68.868 0.096 0.000 0.869 798 T HN 0.185 nan 8.240 nan 0.000 0.466 799 R N 0.323 120.853 120.500 0.049 0.000 2.115 799 R HA 0.171 4.504 4.340 -0.012 0.000 0.226 799 R C 2.452 178.752 176.300 -0.001 0.000 1.100 799 R CA 0.929 57.053 56.100 0.040 0.000 0.980 799 R CB -0.285 30.042 30.300 0.046 0.000 0.875 799 R HN 0.360 nan 8.270 nan 0.000 0.445 800 M N 0.415 119.980 119.600 -0.058 0.000 2.200 800 M HA -0.116 4.357 4.480 -0.012 0.000 0.265 800 M C 1.900 178.116 176.300 -0.139 0.000 1.066 800 M CA 1.247 56.473 55.300 -0.124 0.000 1.127 800 M CB 0.229 32.694 32.600 -0.225 0.000 1.379 800 M HN -0.033 nan 8.290 nan 0.000 0.420 801 V N 0.940 120.758 119.914 -0.159 0.000 2.255 801 V HA -0.316 3.796 4.120 -0.012 0.000 0.247 801 V C 2.197 178.276 176.094 -0.025 0.000 1.051 801 V CA 2.066 64.296 62.300 -0.116 0.000 1.018 801 V CB -0.588 31.193 31.823 -0.071 0.000 0.641 801 V HN 0.505 nan 8.190 nan 0.000 0.445 802 I N -0.596 119.984 120.570 0.017 0.000 2.335 802 I HA -0.294 3.868 4.170 -0.012 0.000 0.251 802 I C 2.658 178.823 176.117 0.080 0.000 1.129 802 I CA 1.565 62.919 61.300 0.090 0.000 1.402 802 I CB -0.364 37.736 38.000 0.167 0.000 1.069 802 I HN 0.205 nan 8.210 nan 0.000 0.424 803 R N 0.417 120.941 120.500 0.040 0.000 2.148 803 R HA -0.056 4.276 4.340 -0.012 0.000 0.223 803 R C 2.087 178.418 176.300 0.051 0.000 1.088 803 R CA 0.986 57.108 56.100 0.038 0.000 0.985 803 R CB -0.154 30.153 30.300 0.011 0.000 0.880 803 R HN 0.460 nan 8.270 nan 0.000 0.451 804 N N 0.129 118.852 118.700 0.039 0.000 2.148 804 N HA -0.067 4.666 4.740 -0.012 0.000 0.186 804 N C 1.821 177.388 175.510 0.094 0.000 1.031 804 N CA 1.125 54.219 53.050 0.073 0.000 0.848 804 N CB 0.042 38.539 38.487 0.017 0.000 1.005 804 N HN 0.108 nan 8.380 nan 0.000 0.427 805 I N 1.760 122.373 120.570 0.071 0.000 2.127 805 I HA -0.245 3.917 4.170 -0.012 0.000 0.241 805 I C 2.411 178.575 176.117 0.079 0.000 1.075 805 I CA 1.029 62.375 61.300 0.078 0.000 1.334 805 I CB -0.329 37.710 38.000 0.065 0.000 1.040 805 I HN 0.083 nan 8.210 nan 0.000 0.405 806 A N -1.107 121.759 122.820 0.077 0.000 2.125 806 A HA -0.192 4.121 4.320 -0.012 0.000 0.219 806 A C 2.206 179.824 177.584 0.057 0.000 1.156 806 A CA 2.153 54.226 52.037 0.061 0.000 0.671 806 A CB -0.610 18.432 19.000 0.070 0.000 0.794 806 A HN 0.407 nan 8.150 nan 0.000 0.459 807 T N -1.071 113.530 114.554 0.079 0.000 3.129 807 T HA 0.134 4.477 4.350 -0.012 0.000 0.267 807 T C 1.458 176.236 174.700 0.130 0.000 1.018 807 T CA 0.700 62.850 62.100 0.083 0.000 0.903 807 T CB -0.397 68.521 68.868 0.083 0.000 1.067 807 T HN 0.609 nan 8.240 nan 0.000 0.549 808 S N -0.799 114.999 115.700 0.163 0.000 2.558 808 S HA 0.176 4.639 4.470 -0.012 0.000 0.217 808 S C 2.305 177.013 174.600 0.180 0.000 0.975 808 S CA 0.526 58.894 58.200 0.279 0.000 0.912 808 S CB -0.350 63.005 63.200 0.259 0.000 0.776 808 S HN 0.437 nan 8.310 nan 0.000 0.526 809 G N 2.877 111.718 108.800 0.069 0.000 2.545 809 G HA2 -0.347 3.606 3.960 -0.012 0.000 0.222 809 G HA3 -0.347 3.606 3.960 -0.012 0.000 0.222 809 G C 1.330 176.184 174.900 -0.077 0.000 1.126 809 G CA 1.195 46.307 45.100 0.020 0.000 0.754 809 G HN 0.593 nan 8.290 nan 0.000 0.583 810 K N -0.213 120.027 120.400 -0.267 0.000 2.281 810 K HA -0.053 4.259 4.320 -0.012 0.000 0.203 810 K C 1.082 177.366 176.600 -0.527 0.000 1.046 810 K CA 0.683 56.679 56.287 -0.486 0.000 0.938 810 K CB -0.232 31.797 32.500 -0.785 0.000 0.737 810 K HN 0.373 nan 8.250 nan 0.000 0.458 811 F N 1.056 121.037 119.950 0.052 0.000 2.663 811 F HA 0.141 4.660 4.527 -0.013 0.000 0.299 811 F C 0.799 176.646 175.800 0.078 0.000 1.143 811 F CA -0.318 57.718 58.000 0.061 0.000 1.387 811 F CB 0.033 39.065 39.000 0.054 0.000 1.019 811 F HN -0.135 nan 8.300 nan 0.000 0.523 812 S N -0.099 115.690 115.700 0.148 0.000 2.537 812 S HA 0.167 4.629 4.470 -0.012 0.000 0.275 812 S C 1.360 176.048 174.600 0.147 0.000 1.272 812 S CA -0.247 58.038 58.200 0.142 0.000 1.050 812 S CB 0.991 64.246 63.200 0.090 0.000 0.961 812 S HN 0.279 nan 8.310 nan 0.000 0.496 813 S N 3.068 118.879 115.700 0.185 0.000 2.547 813 S HA -0.070 4.393 4.470 -0.012 0.000 0.235 813 S C 0.852 175.514 174.600 0.103 0.000 0.980 813 S CA 0.639 58.971 58.200 0.220 0.000 0.941 813 S CB -0.361 63.038 63.200 0.332 0.000 0.763 813 S HN 0.795 nan 8.310 nan 0.000 0.532 814 D N 1.713 122.157 120.400 0.072 0.000 2.149 814 D HA -0.043 4.590 4.640 -0.012 0.000 0.201 814 D C 2.084 178.392 176.300 0.014 0.000 0.972 814 D CA 0.629 54.648 54.000 0.032 0.000 0.835 814 D CB -0.263 40.553 40.800 0.027 0.000 0.966 814 D HN 0.292 nan 8.370 nan 0.000 0.476 815 R N 0.791 121.303 120.500 0.020 0.000 2.066 815 R HA -0.082 4.251 4.340 -0.012 0.000 0.232 815 R C 1.863 178.160 176.300 -0.005 0.000 1.131 815 R CA 1.366 57.464 56.100 -0.004 0.000 0.955 815 R CB -0.626 29.661 30.300 -0.022 0.000 0.851 815 R HN 0.107 nan 8.270 nan 0.000 0.432 816 T N 2.272 116.848 114.554 0.037 0.000 2.652 816 T HA -0.140 4.203 4.350 -0.012 0.000 0.267 816 T C 1.951 176.662 174.700 0.019 0.000 1.039 816 T CA 1.410 63.553 62.100 0.070 0.000 1.153 816 T CB -0.164 68.828 68.868 0.207 0.000 0.863 816 T HN 0.097 nan 8.240 nan 0.000 0.428 817 I N 1.866 122.365 120.570 -0.117 0.000 2.226 817 I HA -0.106 4.056 4.170 -0.012 0.000 0.245 817 I C 2.936 179.004 176.117 -0.082 0.000 1.100 817 I CA 0.977 62.163 61.300 -0.190 0.000 1.374 817 I CB -1.707 36.194 38.000 -0.166 0.000 1.057 817 I HN 0.211 nan 8.210 nan 0.000 0.413 818 A N -0.081 122.712 122.820 -0.044 0.000 1.978 818 A HA -0.235 4.078 4.320 -0.012 0.000 0.220 818 A C 2.258 179.801 177.584 -0.069 0.000 1.170 818 A CA 1.453 53.472 52.037 -0.031 0.000 0.636 818 A CB -0.531 18.458 19.000 -0.020 0.000 0.810 818 A HN 0.525 nan 8.150 nan 0.000 0.448 819 Q N -2.095 117.645 119.800 -0.099 0.000 2.137 819 Q HA -0.116 4.217 4.340 -0.012 0.000 0.198 819 Q C 1.872 177.704 176.000 -0.280 0.000 0.960 819 Q CA 1.359 57.064 55.803 -0.163 0.000 0.847 819 Q CB -0.217 28.415 28.738 -0.176 0.000 0.915 819 Q HN 0.826 nan 8.270 nan 0.000 0.448 820 Y N 0.528 120.539 120.300 -0.483 0.000 2.145 820 Y HA -0.265 4.277 4.550 -0.013 0.000 0.286 820 Y C 2.437 177.764 175.900 -0.955 0.000 1.145 820 Y CA 1.272 58.838 58.100 -0.891 0.000 1.148 820 Y CB -0.386 37.250 38.460 -1.373 0.000 0.981 820 Y HN 0.151 nan 8.280 nan 0.000 0.507 821 A N 0.467 123.050 122.820 -0.395 0.000 1.873 821 A HA -0.252 4.061 4.320 -0.012 0.000 0.218 821 A C 2.246 179.838 177.584 0.013 0.000 1.193 821 A CA 2.242 54.287 52.037 0.014 0.000 0.629 821 A CB -0.600 18.480 19.000 0.132 0.000 0.826 821 A HN 0.445 nan 8.150 nan 0.000 0.447 822 R N -0.660 119.812 120.500 -0.048 0.000 2.075 822 R HA -0.024 4.308 4.340 -0.012 0.000 0.226 822 R C 1.808 178.083 176.300 -0.042 0.000 1.114 822 R CA 1.425 57.511 56.100 -0.024 0.000 0.972 822 R CB -0.239 30.043 30.300 -0.030 0.000 0.869 822 R HN 0.654 nan 8.270 nan 0.000 0.437 823 E N -0.209 119.926 120.200 -0.109 0.000 2.447 823 E HA 0.087 4.429 4.350 -0.012 0.000 0.195 823 E C 1.375 177.924 176.600 -0.084 0.000 1.028 823 E CA 0.462 56.804 56.400 -0.097 0.000 0.876 823 E CB 0.487 30.104 29.700 -0.139 0.000 0.885 823 E HN 0.347 nan 8.360 nan 0.000 0.500 824 I N -1.477 119.011 120.570 -0.137 0.000 3.878 824 I HA 0.032 4.195 4.170 -0.012 0.000 0.273 824 I C 1.282 177.536 176.117 0.228 0.000 1.165 824 I CA -0.109 61.169 61.300 -0.038 0.000 1.360 824 I CB 0.152 37.980 38.000 -0.286 0.000 1.539 824 I HN 0.101 nan 8.210 nan 0.000 0.447 825 W N 1.762 123.152 121.300 0.150 0.000 2.658 825 W HA 0.312 4.964 4.660 -0.012 0.000 0.263 825 W C 1.577 178.133 176.519 0.062 0.000 1.274 825 W CA 0.881 58.297 57.345 0.118 0.000 1.343 825 W CB -1.054 28.462 29.460 0.095 0.000 1.106 825 W HN 0.341 nan 8.180 nan 0.000 0.615 826 G N 0.956 109.897 108.800 0.234 0.000 2.225 826 G HA2 -0.119 3.833 3.960 -0.012 0.000 0.264 826 G HA3 -0.119 3.833 3.960 -0.012 0.000 0.264 826 G C -0.263 174.713 174.900 0.126 0.000 1.060 826 G CA 0.225 45.406 45.100 0.135 0.000 0.833 826 G HN 0.406 nan 8.290 nan 0.000 0.498 827 V N -4.321 115.687 119.914 0.157 0.000 2.914 827 V HA 0.925 5.037 4.120 -0.012 0.000 0.314 827 V C -0.384 175.768 176.094 0.097 0.000 1.084 827 V CA -1.661 60.712 62.300 0.121 0.000 0.963 827 V CB 2.361 34.268 31.823 0.140 0.000 1.025 827 V HN 0.109 nan 8.190 nan 0.000 0.432 828 E N 3.685 123.926 120.200 0.068 0.000 2.134 828 E HA 0.520 4.862 4.350 -0.012 0.000 0.278 828 E C -2.479 174.153 176.600 0.054 0.000 0.959 828 E CA -1.775 54.657 56.400 0.053 0.000 0.783 828 E CB 1.842 31.566 29.700 0.039 0.000 1.095 828 E HN 0.755 nan 8.360 nan 0.000 0.399 829 P HA 0.063 nan 4.420 nan 0.000 0.271 829 P C -0.476 176.849 177.300 0.042 0.000 1.233 829 P CA -0.257 62.873 63.100 0.050 0.000 0.789 829 P CB 0.773 32.498 31.700 0.041 0.000 0.951 830 S N 0.389 116.114 115.700 0.042 0.000 2.566 830 S HA 0.321 4.784 4.470 -0.012 0.000 0.273 830 S C -0.015 174.607 174.600 0.036 0.000 1.157 830 S CA -0.867 57.356 58.200 0.039 0.000 0.938 830 S CB 1.124 64.352 63.200 0.045 0.000 1.087 830 S HN 0.299 nan 8.310 nan 0.000 0.474 831 R N 2.622 123.141 120.500 0.031 0.000 2.721 831 R HA 0.211 4.544 4.340 -0.012 0.000 0.296 831 R C -0.183 176.129 176.300 0.020 0.000 1.174 831 R CA -0.088 56.029 56.100 0.029 0.000 1.129 831 R CB 0.170 30.489 30.300 0.031 0.000 1.316 831 R HN 0.662 nan 8.270 nan 0.000 0.571 832 Q N 1.020 120.831 119.800 0.018 0.000 2.294 832 Q HA 0.182 4.515 4.340 -0.012 0.000 0.257 832 Q C -0.372 175.622 176.000 -0.009 0.000 0.955 832 Q CA -0.342 55.465 55.803 0.007 0.000 0.936 832 Q CB 1.259 30.006 28.738 0.014 0.000 1.188 832 Q HN -0.121 nan 8.270 nan 0.000 0.420 833 R N 1.811 122.299 120.500 -0.020 0.000 2.484 833 R HA 0.039 4.371 4.340 -0.012 0.000 0.293 833 R C -0.547 175.720 176.300 -0.054 0.000 1.023 833 R CA -0.132 55.945 56.100 -0.039 0.000 1.037 833 R CB 0.120 30.396 30.300 -0.040 0.000 0.951 833 R HN 0.418 nan 8.270 nan 0.000 0.418 834 L N 6.725 127.902 121.223 -0.077 0.000 2.426 834 L HA 0.214 4.547 4.340 -0.012 0.000 0.271 834 L C -1.677 175.137 176.870 -0.092 0.000 1.169 834 L CA -1.844 52.922 54.840 -0.124 0.000 0.836 834 L CB 0.547 42.509 42.059 -0.162 0.000 1.112 834 L HN 0.612 nan 8.230 nan 0.000 0.465 835 P HA -0.001 nan 4.420 nan 0.000 0.208 835 P C 0.063 177.340 177.300 -0.039 0.000 1.341 835 P CA 0.713 63.783 63.100 -0.051 0.000 1.235 835 P CB -0.723 30.955 31.700 -0.037 0.000 1.764 836 A N 3.492 126.291 122.820 -0.036 0.000 6.121 836 A HA -0.165 4.148 4.320 -0.012 0.000 0.424 836 A C -2.183 175.390 177.584 -0.018 0.000 2.043 836 A CA 0.045 52.068 52.037 -0.024 0.000 1.677 836 A CB -2.367 16.625 19.000 -0.013 0.000 1.203 836 A HN 0.401 nan 8.150 nan 0.000 0.561 837 P HA 0.000 nan 4.420 nan 0.000 0.216 837 P CA 0.000 63.106 63.100 0.010 0.000 0.800 837 P CB 0.000 31.717 31.700 0.028 0.000 0.726