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 1fu8_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 NLKDFNVGGY DATA SEQUENCE IQAVLDRNLA ENISRVLYPN DNFFEGKELR LKQEYFVVAA TLQDIIRRFK DATA SEQUENCE SSKFGCRDPV RTNFDAFPDK 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 RLPAPDEKIP 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 -0.049 0.000 1.214 14 S N -0.440 115.254 115.700 -0.010 0.000 2.616 14 S HA 0.157 4.618 4.470 -0.015 0.000 0.272 14 S C -1.576 173.027 174.600 0.005 0.000 0.994 14 S CA 0.108 58.310 58.200 0.002 0.000 1.002 14 S CB 0.835 64.037 63.200 0.003 0.000 1.269 14 S HN 0.140 nan 8.310 nan 0.000 0.466 15 V N 4.110 124.033 119.914 0.015 0.000 3.021 15 V HA 0.385 4.496 4.120 -0.015 0.000 0.385 15 V C 0.933 177.035 176.094 0.012 0.000 1.303 15 V CA -0.043 62.267 62.300 0.016 0.000 1.471 15 V CB -0.893 30.948 31.823 0.030 0.000 1.419 15 V HN 0.586 nan 8.190 nan 0.000 0.551 16 R N 1.775 122.276 120.500 0.002 0.000 2.423 16 R HA 0.405 4.736 4.340 -0.015 0.000 0.248 16 R C 0.928 177.219 176.300 -0.015 0.000 1.019 16 R CA 0.592 56.690 56.100 -0.003 0.000 1.119 16 R CB -0.030 30.265 30.300 -0.009 0.000 1.176 16 R HN 0.683 nan 8.270 nan 0.000 0.526 17 G N 0.663 109.454 108.800 -0.015 0.000 2.610 17 G HA2 -0.196 3.755 3.960 -0.015 0.000 0.304 17 G HA3 -0.196 3.755 3.960 -0.015 0.000 0.304 17 G C -1.192 173.693 174.900 -0.025 0.000 1.309 17 G CA -1.062 44.022 45.100 -0.027 0.000 0.906 17 G HN 0.026 nan 8.290 nan 0.000 0.521 18 L N 0.594 121.799 121.223 -0.029 0.000 2.325 18 L HA 0.726 5.057 4.340 -0.015 0.000 0.279 18 L C 1.262 178.116 176.870 -0.026 0.000 1.054 18 L CA 0.058 54.883 54.840 -0.024 0.000 0.804 18 L CB 1.182 43.228 42.059 -0.022 0.000 1.200 18 L HN 1.533 nan 8.230 nan 0.000 0.436 19 A N 2.687 125.493 122.820 -0.022 0.000 3.175 19 A HA 0.555 4.866 4.320 -0.015 0.000 0.289 19 A C 0.838 178.416 177.584 -0.012 0.000 1.429 19 A CA -0.280 51.746 52.037 -0.019 0.000 1.155 19 A CB -0.782 18.204 19.000 -0.023 0.000 1.169 19 A HN 0.790 nan 8.150 nan 0.000 0.574 20 G N -0.258 108.536 108.800 -0.011 0.000 2.474 20 G HA2 0.285 4.236 3.960 -0.015 0.000 0.233 20 G HA3 0.285 4.236 3.960 -0.015 0.000 0.233 20 G C 1.032 175.934 174.900 0.004 0.000 1.278 20 G CA 0.093 45.191 45.100 -0.004 0.000 0.861 20 G HN 0.421 nan 8.290 nan 0.000 0.567 21 V N 1.972 121.889 119.914 0.006 0.000 2.237 21 V HA -0.169 3.942 4.120 -0.015 0.000 0.245 21 V C 2.690 178.793 176.094 0.016 0.000 1.046 21 V CA 2.412 64.719 62.300 0.010 0.000 1.007 21 V CB -0.762 31.067 31.823 0.009 0.000 0.638 21 V HN 0.770 nan 8.190 nan 0.000 0.445 22 E N 0.328 120.538 120.200 0.017 0.000 2.077 22 E HA -0.189 4.152 4.350 -0.015 0.000 0.193 22 E C 2.068 178.687 176.600 0.033 0.000 0.989 22 E CA 1.590 58.004 56.400 0.023 0.000 0.800 22 E CB -0.308 29.405 29.700 0.022 0.000 0.746 22 E HN 0.640 nan 8.360 nan 0.000 0.452 23 N N -1.168 117.550 118.700 0.030 0.000 2.270 23 N HA -0.089 4.642 4.740 -0.015 0.000 0.181 23 N C 1.445 176.980 175.510 0.043 0.000 1.016 23 N CA 0.618 53.693 53.050 0.041 0.000 0.870 23 N CB 0.256 38.755 38.487 0.020 0.000 0.979 23 N HN -0.044 nan 8.380 nan 0.000 0.431 24 V N 0.051 119.981 119.914 0.028 0.000 2.427 24 V HA -0.190 3.921 4.120 -0.015 0.000 0.248 24 V C 1.938 178.055 176.094 0.038 0.000 1.051 24 V CA 1.684 64.000 62.300 0.028 0.000 1.048 24 V CB -0.680 31.154 31.823 0.019 0.000 0.666 24 V HN 0.409 nan 8.190 nan 0.000 0.456 25 T N -0.427 114.149 114.554 0.038 0.000 2.777 25 T HA -0.210 4.131 4.350 -0.015 0.000 0.266 25 T C 1.895 176.630 174.700 0.057 0.000 1.040 25 T CA 1.736 63.860 62.100 0.040 0.000 1.141 25 T CB -0.168 68.720 68.868 0.032 0.000 0.868 25 T HN 0.517 nan 8.240 nan 0.000 0.444 26 E N 0.824 121.063 120.200 0.066 0.000 2.051 26 E HA -0.109 4.232 4.350 -0.015 0.000 0.192 26 E C 1.950 178.624 176.600 0.123 0.000 0.991 26 E CA 0.833 57.285 56.400 0.086 0.000 0.799 26 E CB -0.522 29.237 29.700 0.098 0.000 0.748 26 E HN 0.149 nan 8.360 nan 0.000 0.449 27 L N 1.065 122.371 121.223 0.137 0.000 1.989 27 L HA -0.187 4.144 4.340 -0.015 0.000 0.211 27 L C 2.208 179.188 176.870 0.183 0.000 1.071 27 L CA 1.976 56.925 54.840 0.181 0.000 0.749 27 L CB -0.992 41.145 42.059 0.129 0.000 0.890 27 L HN 0.122 nan 8.230 nan 0.000 0.431 28 K N -0.153 120.317 120.400 0.117 0.000 2.034 28 K HA -0.257 4.054 4.320 -0.015 0.000 0.214 28 K C 1.949 178.658 176.600 0.182 0.000 1.051 28 K CA 2.268 58.623 56.287 0.113 0.000 0.931 28 K CB -0.204 32.323 32.500 0.044 0.000 0.715 28 K HN 0.450 nan 8.250 nan 0.000 0.446 29 K N 0.310 120.789 120.400 0.132 0.000 2.097 29 K HA -0.078 4.233 4.320 -0.015 0.000 0.206 29 K C 1.745 178.424 176.600 0.132 0.000 1.049 29 K CA 1.400 57.757 56.287 0.117 0.000 0.933 29 K CB -0.212 32.330 32.500 0.071 0.000 0.717 29 K HN 0.091 nan 8.250 nan 0.000 0.442 30 N N 0.659 119.444 118.700 0.143 0.000 2.188 30 N HA -0.121 4.610 4.740 -0.015 0.000 0.184 30 N C 1.663 177.302 175.510 0.214 0.000 1.018 30 N CA 1.031 54.146 53.050 0.109 0.000 0.858 30 N CB -0.231 38.334 38.487 0.130 0.000 0.989 30 N HN 0.182 nan 8.380 nan 0.000 0.426 31 F N 2.667 122.710 119.950 0.155 0.000 2.126 31 F HA -0.127 4.391 4.527 -0.015 0.000 0.299 31 F C 2.024 177.931 175.800 0.178 0.000 1.096 31 F CA 1.327 59.442 58.000 0.193 0.000 1.255 31 F CB -0.174 38.912 39.000 0.143 0.000 0.997 31 F HN -0.019 nan 8.300 nan 0.000 0.479 32 N N 0.312 119.202 118.700 0.317 0.000 2.216 32 N HA -0.140 4.591 4.740 -0.015 0.000 0.183 32 N C 2.108 177.680 175.510 0.104 0.000 1.017 32 N CA 0.750 53.914 53.050 0.190 0.000 0.861 32 N CB -0.472 38.125 38.487 0.183 0.000 0.986 32 N HN 0.326 nan 8.380 nan 0.000 0.428 33 R N 0.611 121.170 120.500 0.100 0.000 2.080 33 R HA -0.123 4.208 4.340 -0.015 0.000 0.236 33 R C 1.806 178.188 176.300 0.137 0.000 1.137 33 R CA 1.543 57.733 56.100 0.150 0.000 0.943 33 R CB -0.441 29.839 30.300 -0.034 0.000 0.846 33 R HN 0.468 nan 8.270 nan 0.000 0.431 34 H N -0.372 118.737 119.070 0.065 0.000 2.387 34 H HA -0.145 4.402 4.556 -0.015 0.000 0.299 34 H C 1.896 177.160 175.328 -0.108 0.000 1.090 34 H CA 1.314 57.335 56.048 -0.044 0.000 1.332 34 H CB 0.029 29.730 29.762 -0.101 0.000 1.386 34 H HN 0.084 nan 8.280 nan 0.000 0.516 35 L N 0.008 121.212 121.223 -0.032 0.000 2.083 35 L HA -0.185 4.146 4.340 -0.015 0.000 0.209 35 L C 2.128 178.974 176.870 -0.040 0.000 1.083 35 L CA 1.850 56.634 54.840 -0.094 0.000 0.752 35 L CB -0.473 41.521 42.059 -0.108 0.000 0.899 35 L HN 0.289 nan 8.230 nan 0.000 0.433 36 H N -1.776 117.208 119.070 -0.143 0.000 2.273 36 H HA -0.028 4.519 4.556 -0.015 0.000 0.311 36 H C 1.858 176.983 175.328 -0.339 0.000 1.057 36 H CA 2.143 58.013 56.048 -0.297 0.000 1.360 36 H CB -0.345 29.140 29.762 -0.461 0.000 1.414 36 H HN 0.246 nan 8.280 nan 0.000 0.516 37 F N -0.125 119.823 119.950 -0.003 0.000 2.206 37 F HA -0.081 4.437 4.527 -0.015 0.000 0.298 37 F C 2.586 178.318 175.800 -0.112 0.000 1.090 37 F CA 1.564 59.512 58.000 -0.087 0.000 1.323 37 F CB -0.496 38.483 39.000 -0.035 0.000 1.028 37 F HN 0.208 nan 8.300 nan 0.000 0.492 38 T N -0.531 114.064 114.554 0.069 0.000 2.939 38 T HA 0.021 4.362 4.350 -0.015 0.000 0.254 38 T C 1.704 176.313 174.700 -0.152 0.000 1.041 38 T CA 0.639 62.700 62.100 -0.066 0.000 1.142 38 T CB -0.188 68.594 68.868 -0.143 0.000 0.874 38 T HN -0.043 nan 8.240 nan 0.000 0.452 39 L N 1.062 122.198 121.223 -0.145 0.000 2.446 39 L HA 0.281 4.612 4.340 -0.015 0.000 0.219 39 L C 0.631 177.407 176.870 -0.157 0.000 1.116 39 L CA 0.287 55.029 54.840 -0.163 0.000 0.844 39 L CB -0.705 41.267 42.059 -0.145 0.000 0.970 39 L HN 0.049 nan 8.230 nan 0.000 0.457 40 V N 0.441 120.248 119.914 -0.179 0.000 6.016 40 V HA -0.295 3.816 4.120 -0.015 0.000 0.265 40 V C 0.420 176.404 176.094 -0.183 0.000 0.621 40 V CA 0.822 62.986 62.300 -0.226 0.000 0.592 40 V CB -2.059 29.654 31.823 -0.183 0.000 0.298 40 V HN 0.405 nan 8.190 nan 0.000 0.615 41 K N 1.497 121.798 120.400 -0.165 0.000 2.509 41 K HA 0.661 4.972 4.320 -0.015 0.000 0.266 41 K C -0.747 175.820 176.600 -0.054 0.000 0.987 41 K CA -0.609 55.613 56.287 -0.109 0.000 0.868 41 K CB 2.928 35.361 32.500 -0.112 0.000 1.421 41 K HN 0.622 nan 8.250 nan 0.000 0.444 42 D N 0.623 121.010 120.400 -0.021 0.000 2.619 42 D HA 0.261 4.892 4.640 -0.015 0.000 0.241 42 D C 0.567 176.893 176.300 0.044 0.000 1.087 42 D CA -0.588 53.432 54.000 0.033 0.000 0.851 42 D CB 1.553 42.371 40.800 0.031 0.000 1.474 42 D HN 0.200 nan 8.370 nan 0.000 0.478 43 R N 1.384 121.941 120.500 0.094 0.000 2.257 43 R HA -0.186 4.145 4.340 -0.015 0.000 0.265 43 R C 1.041 177.412 176.300 0.117 0.000 1.191 43 R CA 1.101 57.293 56.100 0.153 0.000 1.010 43 R CB -0.757 29.637 30.300 0.158 0.000 0.883 43 R HN 0.608 nan 8.270 nan 0.000 0.473 44 N N 0.398 119.138 118.700 0.066 0.000 2.494 44 N HA -0.054 4.677 4.740 -0.015 0.000 0.182 44 N C 1.241 176.769 175.510 0.031 0.000 1.076 44 N CA 1.219 54.299 53.050 0.049 0.000 0.908 44 N CB 0.492 38.998 38.487 0.033 0.000 0.967 44 N HN 0.204 nan 8.380 nan 0.000 0.449 45 V N -3.096 116.824 119.914 0.009 0.000 3.382 45 V HA 0.449 4.560 4.120 -0.015 0.000 0.296 45 V C 0.676 176.736 176.094 -0.055 0.000 1.529 45 V CA -0.616 61.676 62.300 -0.014 0.000 1.048 45 V CB -0.114 31.696 31.823 -0.022 0.000 0.878 45 V HN 0.014 nan 8.190 nan 0.000 0.442 46 A N 2.143 124.904 122.820 -0.098 0.000 2.440 46 A HA 0.614 4.925 4.320 -0.015 0.000 0.251 46 A C 0.696 178.091 177.584 -0.315 0.000 1.089 46 A CA 0.815 52.678 52.037 -0.290 0.000 0.779 46 A CB 0.013 18.706 19.000 -0.512 0.000 1.022 46 A HN 0.748 nan 8.150 nan 0.000 0.492 47 T N 0.141 114.524 114.554 -0.286 0.000 2.948 47 T HA 0.592 4.933 4.350 -0.015 0.000 0.285 47 T C -2.119 172.523 174.700 -0.097 0.000 1.019 47 T CA -1.844 60.187 62.100 -0.114 0.000 1.013 47 T CB 1.332 70.187 68.868 -0.022 0.000 1.117 47 T HN 0.233 nan 8.240 nan 0.000 0.533 48 P HA -0.135 nan 4.420 nan 0.000 0.217 48 P C 1.581 179.009 177.300 0.212 0.000 1.151 48 P CA 1.094 64.350 63.100 0.260 0.000 0.849 48 P CB 0.038 31.848 31.700 0.183 0.000 0.787 49 R N -0.145 120.430 120.500 0.126 0.000 2.096 49 R HA -0.143 4.188 4.340 -0.015 0.000 0.235 49 R C 1.704 178.199 176.300 0.324 0.000 1.127 49 R CA 1.797 58.013 56.100 0.192 0.000 0.968 49 R CB -0.632 29.732 30.300 0.106 0.000 0.861 49 R HN 0.115 nan 8.270 nan 0.000 0.440 50 D N -0.358 120.112 120.400 0.117 0.000 2.097 50 D HA -0.184 4.447 4.640 -0.015 0.000 0.195 50 D C 1.748 178.091 176.300 0.072 0.000 0.989 50 D CA 1.299 55.324 54.000 0.041 0.000 0.827 50 D CB -0.396 40.276 40.800 -0.213 0.000 0.966 50 D HN 0.282 nan 8.370 nan 0.000 0.456 51 Y N 0.203 120.623 120.300 0.199 0.000 2.256 51 Y HA -0.223 4.318 4.550 -0.015 0.000 0.288 51 Y C 2.319 178.380 175.900 0.268 0.000 1.155 51 Y CA 0.392 58.660 58.100 0.279 0.000 1.203 51 Y CB -1.073 37.605 38.460 0.363 0.000 0.980 51 Y HN 0.128 nan 8.280 nan 0.000 0.530 52 Y N -0.857 119.605 120.300 0.269 0.000 2.242 52 Y HA -0.216 4.325 4.550 -0.015 0.000 0.291 52 Y C 1.818 177.707 175.900 -0.017 0.000 1.137 52 Y CA 1.086 59.239 58.100 0.088 0.000 1.181 52 Y CB -0.985 37.416 38.460 -0.099 0.000 0.989 52 Y HN 0.044 nan 8.280 nan 0.000 0.527 53 F N 0.084 119.812 119.950 -0.369 0.000 2.163 53 F HA -0.026 4.492 4.527 -0.015 0.000 0.297 53 F C 2.653 178.286 175.800 -0.278 0.000 1.094 53 F CA 1.121 58.843 58.000 -0.464 0.000 1.290 53 F CB -0.825 38.091 39.000 -0.140 0.000 1.017 53 F HN 0.162 nan 8.300 nan 0.000 0.483 54 A N 0.163 122.950 122.820 -0.055 0.000 1.873 54 A HA -0.240 4.071 4.320 -0.015 0.000 0.218 54 A C 2.084 179.605 177.584 -0.105 0.000 1.193 54 A CA 1.889 53.776 52.037 -0.250 0.000 0.629 54 A CB -1.178 17.287 19.000 -0.892 0.000 0.826 54 A HN 0.343 nan 8.150 nan 0.000 0.447 55 L N -0.272 121.004 121.223 0.088 0.000 1.989 55 L HA -0.105 4.226 4.340 -0.015 0.000 0.211 55 L C 2.777 179.655 176.870 0.013 0.000 1.071 55 L CA 2.377 57.371 54.840 0.256 0.000 0.749 55 L CB -1.097 41.148 42.059 0.310 0.000 0.890 55 L HN 0.394 nan 8.230 nan 0.000 0.431 56 A N -1.194 121.451 122.820 -0.291 0.000 1.873 56 A HA -0.337 3.974 4.320 -0.015 0.000 0.218 56 A C 2.183 179.463 177.584 -0.507 0.000 1.193 56 A CA 2.279 54.029 52.037 -0.478 0.000 0.629 56 A CB -1.269 17.105 19.000 -1.042 0.000 0.826 56 A HN 0.705 nan 8.150 nan 0.000 0.447 57 H N -0.814 117.969 119.070 -0.478 0.000 2.352 57 H HA -0.079 4.468 4.556 -0.015 0.000 0.299 57 H C 2.404 177.524 175.328 -0.348 0.000 1.097 57 H CA 2.082 57.783 56.048 -0.578 0.000 1.311 57 H CB -0.244 28.906 29.762 -1.021 0.000 1.377 57 H HN 0.500 nan 8.280 nan 0.000 0.504 58 T N -0.283 114.281 114.554 0.015 0.000 2.708 58 T HA -0.151 4.190 4.350 -0.015 0.000 0.266 58 T C 2.272 177.155 174.700 0.306 0.000 1.037 58 T CA 1.392 63.669 62.100 0.294 0.000 1.146 58 T CB -0.450 68.647 68.868 0.381 0.000 0.865 58 T HN 0.095 nan 8.240 nan 0.000 0.435 59 V N 1.698 121.767 119.914 0.258 0.000 2.358 59 V HA -0.144 3.967 4.120 -0.015 0.000 0.246 59 V C 2.648 178.940 176.094 0.329 0.000 1.047 59 V CA 1.696 64.193 62.300 0.328 0.000 1.035 59 V CB -0.649 31.357 31.823 0.304 0.000 0.658 59 V HN 0.397 nan 8.190 nan 0.000 0.452 60 R N 0.132 120.774 120.500 0.238 0.000 2.127 60 R HA -0.223 4.108 4.340 -0.015 0.000 0.238 60 R C 1.925 178.337 176.300 0.187 0.000 1.134 60 R CA 2.013 58.255 56.100 0.236 0.000 0.975 60 R CB -0.464 29.822 30.300 -0.022 0.000 0.865 60 R HN 0.469 nan 8.270 nan 0.000 0.447 61 D N 0.114 120.603 120.400 0.148 0.000 2.123 61 D HA -0.176 4.455 4.640 -0.015 0.000 0.196 61 D C 1.711 178.025 176.300 0.025 0.000 0.992 61 D CA 1.163 55.211 54.000 0.080 0.000 0.833 61 D CB -0.400 40.422 40.800 0.036 0.000 0.954 61 D HN 0.454 nan 8.370 nan 0.000 0.455 62 H N -0.221 118.923 119.070 0.123 0.000 2.521 62 H HA -0.020 4.527 4.556 -0.015 0.000 0.286 62 H C 1.939 177.316 175.328 0.081 0.000 1.034 62 H CA 0.665 56.768 56.048 0.092 0.000 1.278 62 H CB 0.293 30.100 29.762 0.076 0.000 1.386 62 H HN 0.283 nan 8.280 nan 0.000 0.567 63 L N -1.497 119.843 121.223 0.195 0.000 2.766 63 L HA 0.175 4.506 4.340 -0.015 0.000 0.242 63 L C 1.905 178.892 176.870 0.195 0.000 1.136 63 L CA -0.013 54.912 54.840 0.142 0.000 0.933 63 L CB -0.034 42.064 42.059 0.066 0.000 1.241 63 L HN -0.126 nan 8.230 nan 0.000 0.522 64 V N -1.984 118.063 119.914 0.222 0.000 2.379 64 V HA 0.062 4.173 4.120 -0.015 0.000 0.245 64 V C 2.547 178.766 176.094 0.208 0.000 1.044 64 V CA 1.591 64.068 62.300 0.296 0.000 1.036 64 V CB -1.768 30.188 31.823 0.220 0.000 0.664 64 V HN 0.359 nan 8.190 nan 0.000 0.453 65 G N 0.445 109.322 108.800 0.128 0.000 2.491 65 G HA2 -0.274 3.677 3.960 -0.015 0.000 0.218 65 G HA3 -0.274 3.677 3.960 -0.015 0.000 0.218 65 G C 1.798 176.752 174.900 0.089 0.000 1.180 65 G CA 1.184 46.333 45.100 0.082 0.000 0.774 65 G HN 0.505 nan 8.290 nan 0.000 0.562 66 R N -1.501 119.060 120.500 0.103 0.000 2.092 66 R HA -0.067 4.264 4.340 -0.015 0.000 0.231 66 R C 2.268 178.654 176.300 0.142 0.000 1.119 66 R CA 1.061 57.209 56.100 0.079 0.000 0.970 66 R CB -0.364 29.965 30.300 0.049 0.000 0.864 66 R HN 0.489 nan 8.270 nan 0.000 0.440 67 W N 1.544 122.830 121.300 -0.023 0.000 2.335 67 W HA -0.131 4.520 4.660 -0.015 0.000 0.311 67 W C 1.693 178.191 176.519 -0.036 0.000 1.213 67 W CA 1.082 58.411 57.345 -0.026 0.000 1.274 67 W CB -0.644 28.821 29.460 0.008 0.000 1.148 67 W HN -0.013 nan 8.180 nan 0.000 0.498 68 I N 0.822 121.450 120.570 0.097 0.000 2.226 68 I HA -0.341 3.820 4.170 -0.015 0.000 0.245 68 I C 2.613 178.715 176.117 -0.025 0.000 1.100 68 I CA 1.807 63.081 61.300 -0.044 0.000 1.374 68 I CB -0.466 37.511 38.000 -0.039 0.000 1.057 68 I HN -0.039 nan 8.210 nan 0.000 0.413 69 R N -0.225 120.275 120.500 0.001 0.000 2.115 69 R HA -0.035 4.296 4.340 -0.015 0.000 0.226 69 R C 2.049 178.315 176.300 -0.057 0.000 1.100 69 R CA 1.530 57.622 56.100 -0.013 0.000 0.980 69 R CB -1.168 29.126 30.300 -0.011 0.000 0.875 69 R HN 0.242 nan 8.270 nan 0.000 0.445 70 T N 1.558 116.050 114.554 -0.104 0.000 2.708 70 T HA -0.110 4.231 4.350 -0.015 0.000 0.266 70 T C 1.849 176.276 174.700 -0.455 0.000 1.037 70 T CA 1.200 63.114 62.100 -0.310 0.000 1.146 70 T CB -0.099 68.642 68.868 -0.212 0.000 0.865 70 T HN 0.162 nan 8.240 nan 0.000 0.435 71 Q N 0.810 120.507 119.800 -0.172 0.000 2.079 71 Q HA -0.075 4.256 4.340 -0.015 0.000 0.200 71 Q C 2.378 178.394 176.000 0.027 0.000 0.974 71 Q CA 1.355 57.131 55.803 -0.045 0.000 0.840 71 Q CB -0.612 28.114 28.738 -0.019 0.000 0.898 71 Q HN 0.474 nan 8.270 nan 0.000 0.430 72 Q N -0.003 119.803 119.800 0.009 0.000 2.084 72 Q HA -0.182 4.149 4.340 -0.015 0.000 0.202 72 Q C 1.887 177.975 176.000 0.146 0.000 0.978 72 Q CA 2.001 57.854 55.803 0.083 0.000 0.844 72 Q CB -0.438 28.327 28.738 0.046 0.000 0.898 72 Q HN 0.566 nan 8.270 nan 0.000 0.426 73 H N -0.864 118.180 119.070 -0.043 0.000 2.265 73 H HA -0.196 4.352 4.556 -0.015 0.000 0.295 73 H C 1.246 176.636 175.328 0.103 0.000 1.084 73 H CA 2.467 58.497 56.048 -0.030 0.000 1.261 73 H CB -0.444 29.218 29.762 -0.166 0.000 1.360 73 H HN 0.362 nan 8.280 nan 0.000 0.487 74 Y N -0.943 119.441 120.300 0.140 0.000 2.315 74 Y HA -0.223 4.318 4.550 -0.015 0.000 0.288 74 Y C 2.428 178.370 175.900 0.071 0.000 1.154 74 Y CA 1.075 59.220 58.100 0.076 0.000 1.229 74 Y CB -1.289 37.259 38.460 0.146 0.000 0.980 74 Y HN 0.418 nan 8.280 nan 0.000 0.540 75 Y N 1.001 121.387 120.300 0.143 0.000 2.220 75 Y HA -0.121 4.420 4.550 -0.015 0.000 0.291 75 Y C 2.059 177.973 175.900 0.023 0.000 1.129 75 Y CA 1.452 59.602 58.100 0.083 0.000 1.161 75 Y CB -0.082 38.413 38.460 0.058 0.000 0.997 75 Y HN 0.031 nan 8.280 nan 0.000 0.522 76 E N 0.400 120.546 120.200 -0.091 0.000 2.006 76 E HA -0.157 4.184 4.350 -0.015 0.000 0.192 76 E C 1.987 178.457 176.600 -0.217 0.000 0.993 76 E CA 1.183 57.465 56.400 -0.197 0.000 0.808 76 E CB -0.233 29.413 29.700 -0.090 0.000 0.764 76 E HN 0.340 nan 8.360 nan 0.000 0.449 77 K N 0.848 121.109 120.400 -0.231 0.000 2.148 77 K HA -0.116 4.195 4.320 -0.015 0.000 0.204 77 K C 0.271 176.811 176.600 -0.101 0.000 1.050 77 K CA 0.762 56.939 56.287 -0.183 0.000 0.942 77 K CB -0.559 31.786 32.500 -0.259 0.000 0.724 77 K HN 0.148 nan 8.250 nan 0.000 0.446 78 D N 0.301 120.660 120.400 -0.069 0.000 2.828 78 D HA -0.099 4.532 4.640 -0.015 0.000 0.241 78 D C -2.376 173.929 176.300 0.008 0.000 1.142 78 D CA 0.115 54.103 54.000 -0.020 0.000 0.755 78 D CB -0.223 40.543 40.800 -0.057 0.000 1.014 78 D HN 0.174 nan 8.370 nan 0.000 0.420 79 P HA 0.178 nan 4.420 nan 0.000 0.279 79 P C -0.317 176.965 177.300 -0.030 0.000 1.276 79 P CA -0.737 62.354 63.100 -0.015 0.000 0.801 79 P CB 0.630 32.307 31.700 -0.038 0.000 1.127 80 K N 0.929 121.308 120.400 -0.036 0.000 2.412 80 K HA 0.100 4.411 4.320 -0.015 0.000 0.281 80 K C -0.194 176.326 176.600 -0.135 0.000 1.027 80 K CA -0.115 56.139 56.287 -0.055 0.000 0.989 80 K CB 0.246 32.728 32.500 -0.029 0.000 0.935 80 K HN 0.219 nan 8.250 nan 0.000 0.475 81 R N 3.696 124.096 120.500 -0.167 0.000 2.368 81 R HA 0.352 4.683 4.340 -0.015 0.000 0.302 81 R C -0.530 175.487 176.300 -0.471 0.000 1.002 81 R CA -0.464 55.450 56.100 -0.310 0.000 0.929 81 R CB 0.846 30.965 30.300 -0.302 0.000 1.073 81 R HN 0.529 nan 8.270 nan 0.000 0.464 82 I N 4.300 124.545 120.570 -0.542 0.000 2.354 82 I HA 0.240 4.401 4.170 -0.015 0.000 0.292 82 I C -0.653 175.177 176.117 -0.478 0.000 0.989 82 I CA -0.745 60.195 61.300 -0.601 0.000 1.188 82 I CB 0.934 38.460 38.000 -0.789 0.000 1.342 82 I HN 0.528 nan 8.210 nan 0.000 0.457 83 Y N 5.608 125.867 120.300 -0.067 0.000 2.328 83 Y HA 0.292 4.834 4.550 -0.015 0.000 0.333 83 Y C -0.366 175.644 175.900 0.182 0.000 0.958 83 Y CA -0.748 57.440 58.100 0.146 0.000 1.167 83 Y CB 1.330 39.831 38.460 0.068 0.000 1.151 83 Y HN 0.395 nan 8.280 nan 0.000 0.470 84 Y N 4.672 125.170 120.300 0.329 0.000 2.594 84 Y HA 0.453 4.994 4.550 -0.015 0.000 0.342 84 Y C -1.111 175.057 175.900 0.446 0.000 1.010 84 Y CA -1.045 57.252 58.100 0.327 0.000 1.270 84 Y CB 0.164 38.822 38.460 0.330 0.000 1.125 84 Y HN 0.526 nan 8.280 nan 0.000 0.513 85 L N 4.707 126.001 121.223 0.117 0.000 2.315 85 L HA 0.385 4.716 4.340 -0.015 0.000 0.283 85 L C -0.032 176.834 176.870 -0.007 0.000 1.089 85 L CA 0.309 55.247 54.840 0.164 0.000 0.833 85 L CB 0.956 43.072 42.059 0.095 0.000 1.170 85 L HN 0.566 nan 8.230 nan 0.000 0.442 86 S N 2.745 118.520 115.700 0.124 0.000 2.533 86 S HA 0.445 4.906 4.470 -0.015 0.000 0.271 86 S C 0.321 174.986 174.600 0.108 0.000 1.143 86 S CA -0.597 57.569 58.200 -0.057 0.000 0.891 86 S CB 0.949 63.898 63.200 -0.418 0.000 1.105 86 S HN 0.465 nan 8.310 nan 0.000 0.468 87 L N 2.903 124.238 121.223 0.186 0.000 2.552 87 L HA 0.406 4.737 4.340 -0.015 0.000 0.227 87 L C 0.571 177.619 176.870 0.296 0.000 1.146 87 L CA 1.180 56.193 54.840 0.288 0.000 0.858 87 L CB -0.164 42.070 42.059 0.291 0.000 0.969 87 L HN 0.678 nan 8.230 nan 0.000 0.451 88 E N -1.591 118.657 120.200 0.079 0.000 2.293 88 E HA 0.428 4.769 4.350 -0.015 0.000 0.270 88 E C -1.392 175.093 176.600 -0.191 0.000 0.879 88 E CA -0.479 55.958 56.400 0.062 0.000 0.756 88 E CB 1.868 31.585 29.700 0.027 0.000 1.208 88 E HN -0.162 nan 8.360 nan 0.000 0.428 89 F N 2.212 122.263 119.950 0.169 0.000 3.034 89 F HA 0.161 4.678 4.527 -0.015 0.000 0.371 89 F C -0.940 174.947 175.800 0.144 0.000 1.233 89 F CA -0.701 57.394 58.000 0.159 0.000 1.134 89 F CB 0.922 40.012 39.000 0.150 0.000 1.495 89 F HN 0.482 nan 8.300 nan 0.000 0.563 90 Y N 5.195 125.576 120.300 0.135 0.000 2.570 90 Y HA 0.170 4.712 4.550 -0.014 0.000 0.336 90 Y C 1.182 177.103 175.900 0.036 0.000 1.284 90 Y CA -0.897 57.230 58.100 0.045 0.000 1.761 90 Y CB 0.172 38.641 38.460 0.015 0.000 1.724 90 Y HN 0.535 nan 8.280 nan 0.000 0.455 91 M N 1.062 120.790 119.600 0.214 0.000 2.132 91 M HA 0.065 4.537 4.480 -0.015 0.000 0.263 91 M C 1.560 177.829 176.300 -0.052 0.000 1.065 91 M CA 1.269 56.602 55.300 0.053 0.000 1.122 91 M CB -1.337 31.271 32.600 0.014 0.000 1.365 91 M HN 0.625 nan 8.290 nan 0.000 0.411 92 G N 0.758 109.535 108.800 -0.038 0.000 2.642 92 G HA2 -0.254 3.697 3.960 -0.015 0.000 0.231 92 G HA3 -0.254 3.697 3.960 -0.015 0.000 0.231 92 G C -0.529 174.319 174.900 -0.087 0.000 1.338 92 G CA -0.371 44.668 45.100 -0.101 0.000 0.883 92 G HN 0.456 nan 8.290 nan 0.000 0.570 93 R N -0.567 119.869 120.500 -0.106 0.000 2.641 93 R HA 0.514 4.845 4.340 -0.015 0.000 0.269 93 R C 1.613 177.803 176.300 -0.184 0.000 1.074 93 R CA 0.599 56.648 56.100 -0.085 0.000 1.133 93 R CB 0.660 30.914 30.300 -0.077 0.000 1.029 93 R HN 0.908 nan 8.270 nan 0.000 0.488 94 T N 0.204 114.598 114.554 -0.267 0.000 3.043 94 T HA 0.047 4.388 4.350 -0.015 0.000 0.272 94 T C 1.153 175.486 174.700 -0.611 0.000 0.990 94 T CA -0.276 61.498 62.100 -0.543 0.000 0.897 94 T CB 0.180 68.500 68.868 -0.913 0.000 1.111 94 T HN 0.331 nan 8.240 nan 0.000 0.529 95 L N 1.839 122.931 121.223 -0.218 0.000 1.973 95 L HA 0.162 4.493 4.340 -0.015 0.000 0.208 95 L C 2.596 179.434 176.870 -0.052 0.000 1.073 95 L CA 2.211 57.064 54.840 0.021 0.000 0.746 95 L CB -1.061 41.205 42.059 0.345 0.000 0.891 95 L HN 0.383 nan 8.230 nan 0.000 0.433 96 Q N -0.512 119.261 119.800 -0.045 0.000 2.030 96 Q HA -0.287 4.044 4.340 -0.015 0.000 0.204 96 Q C 2.258 178.192 176.000 -0.108 0.000 0.986 96 Q CA 2.171 57.938 55.803 -0.059 0.000 0.843 96 Q CB -0.425 28.273 28.738 -0.067 0.000 0.904 96 Q HN 0.698 nan 8.270 nan 0.000 0.420 97 N N -1.065 117.533 118.700 -0.170 0.000 2.137 97 N HA -0.172 4.559 4.740 -0.015 0.000 0.190 97 N C 1.393 176.804 175.510 -0.165 0.000 1.017 97 N CA 1.907 54.846 53.050 -0.185 0.000 0.859 97 N CB -0.017 38.324 38.487 -0.243 0.000 1.002 97 N HN 0.253 nan 8.380 nan 0.000 0.428 98 T N 1.170 115.596 114.554 -0.213 0.000 2.777 98 T HA -0.028 4.313 4.350 -0.015 0.000 0.266 98 T C 2.065 176.709 174.700 -0.094 0.000 1.040 98 T CA 0.999 62.988 62.100 -0.185 0.000 1.141 98 T CB -0.048 68.668 68.868 -0.254 0.000 0.868 98 T HN 0.273 nan 8.240 nan 0.000 0.444 99 M N 0.531 120.093 119.600 -0.063 0.000 2.117 99 M HA -0.082 4.389 4.480 -0.015 0.000 0.262 99 M C 2.453 178.724 176.300 -0.049 0.000 1.065 99 M CA 1.237 56.513 55.300 -0.040 0.000 1.114 99 M CB -0.592 31.999 32.600 -0.015 0.000 1.361 99 M HN 0.105 nan 8.290 nan 0.000 0.408 100 V N 0.877 120.767 119.914 -0.041 0.000 2.261 100 V HA -0.259 3.852 4.120 -0.015 0.000 0.246 100 V C 1.778 177.883 176.094 0.017 0.000 1.047 100 V CA 1.842 64.141 62.300 -0.000 0.000 1.015 100 V CB -0.816 31.009 31.823 0.003 0.000 0.642 100 V HN 0.464 nan 8.190 nan 0.000 0.446 101 N N -0.305 118.395 118.700 -0.001 0.000 2.520 101 N HA -0.046 4.685 4.740 -0.015 0.000 0.185 101 N C 0.984 176.394 175.510 -0.167 0.000 1.068 101 N CA 0.703 53.730 53.050 -0.039 0.000 0.911 101 N CB -0.034 38.442 38.487 -0.018 0.000 0.961 101 N HN 0.277 nan 8.380 nan 0.000 0.446 102 L N -0.322 120.826 121.223 -0.125 0.000 2.808 102 L HA 0.411 4.742 4.340 -0.015 0.000 0.246 102 L C 0.521 177.310 176.870 -0.135 0.000 1.153 102 L CA -0.319 54.445 54.840 -0.126 0.000 0.956 102 L CB -0.724 41.286 42.059 -0.082 0.000 1.270 102 L HN 0.075 nan 8.230 nan 0.000 0.528 103 A N -0.416 122.323 122.820 -0.136 0.000 2.822 103 A HA -0.226 4.085 4.320 -0.015 0.000 0.287 103 A C 1.078 178.606 177.584 -0.093 0.000 1.479 103 A CA 1.056 53.026 52.037 -0.111 0.000 0.779 103 A CB -1.884 17.038 19.000 -0.131 0.000 1.022 103 A HN 0.241 nan 8.150 nan 0.000 0.532 104 L N -1.042 120.128 121.223 -0.088 0.000 2.693 104 L HA 0.266 4.597 4.340 -0.015 0.000 0.235 104 L C 1.783 178.619 176.870 -0.056 0.000 1.127 104 L CA 1.498 56.281 54.840 -0.095 0.000 0.914 104 L CB -0.188 41.794 42.059 -0.128 0.000 1.193 104 L HN 0.608 nan 8.230 nan 0.000 0.502 105 E N -0.226 119.951 120.200 -0.039 0.000 2.058 105 E HA -0.238 4.103 4.350 -0.015 0.000 0.194 105 E C 1.642 178.231 176.600 -0.019 0.000 0.997 105 E CA 1.531 57.918 56.400 -0.021 0.000 0.801 105 E CB 0.258 29.948 29.700 -0.017 0.000 0.746 105 E HN 0.388 nan 8.360 nan 0.000 0.450 106 N N -0.078 118.607 118.700 -0.025 0.000 2.171 106 N HA -0.094 4.637 4.740 -0.015 0.000 0.184 106 N C 1.585 177.080 175.510 -0.025 0.000 1.021 106 N CA 1.255 54.289 53.050 -0.027 0.000 0.854 106 N CB -0.455 38.014 38.487 -0.029 0.000 0.994 106 N HN 0.230 nan 8.380 nan 0.000 0.426 107 A N 0.469 123.272 122.820 -0.029 0.000 1.883 107 A HA -0.185 4.126 4.320 -0.015 0.000 0.217 107 A C 2.690 180.267 177.584 -0.012 0.000 1.186 107 A CA 1.536 53.559 52.037 -0.024 0.000 0.624 107 A CB -1.113 17.863 19.000 -0.039 0.000 0.822 107 A HN 0.452 nan 8.150 nan 0.000 0.444 108 C N -1.040 118.253 119.300 -0.012 0.000 2.446 108 C HA -0.070 4.382 4.460 -0.015 0.000 0.277 108 C C 2.508 177.500 174.990 0.003 0.000 1.275 108 C CA 1.115 60.136 59.018 0.006 0.000 1.727 108 C CB -1.094 26.659 27.740 0.023 0.000 2.010 108 C HN 0.680 nan 8.230 nan 0.000 0.486 109 D N 0.550 120.952 120.400 0.003 0.000 2.097 109 D HA -0.139 4.492 4.640 -0.015 0.000 0.195 109 D C 2.110 178.424 176.300 0.024 0.000 0.989 109 D CA 1.558 55.563 54.000 0.008 0.000 0.827 109 D CB -0.265 40.529 40.800 -0.010 0.000 0.966 109 D HN 0.486 nan 8.370 nan 0.000 0.456 110 E N 0.594 120.798 120.200 0.007 0.000 2.007 110 E HA -0.101 4.240 4.350 -0.015 0.000 0.194 110 E C 1.940 178.585 176.600 0.075 0.000 0.999 110 E CA 1.898 58.317 56.400 0.032 0.000 0.811 110 E CB -0.731 28.972 29.700 0.004 0.000 0.762 110 E HN 0.171 nan 8.360 nan 0.000 0.450 111 A N -0.105 122.725 122.820 0.018 0.000 1.903 111 A HA -0.281 4.030 4.320 -0.015 0.000 0.219 111 A C 2.528 180.052 177.584 -0.100 0.000 1.191 111 A CA 3.415 55.437 52.037 -0.024 0.000 0.638 111 A CB -1.697 17.288 19.000 -0.026 0.000 0.823 111 A HN 0.569 nan 8.150 nan 0.000 0.451 112 T N -3.836 110.647 114.554 -0.119 0.000 2.867 112 T HA -0.205 4.136 4.350 -0.015 0.000 0.268 112 T C 1.806 176.422 174.700 -0.139 0.000 1.057 112 T CA 1.526 63.490 62.100 -0.226 0.000 1.136 112 T CB -0.549 68.225 68.868 -0.158 0.000 0.874 112 T HN 0.512 nan 8.240 nan 0.000 0.466 113 Y N 2.094 122.314 120.300 -0.133 0.000 2.145 113 Y HA -0.076 4.465 4.550 -0.014 0.000 0.286 113 Y C 2.666 178.505 175.900 -0.101 0.000 1.145 113 Y CA 1.543 59.584 58.100 -0.098 0.000 1.148 113 Y CB -0.498 37.923 38.460 -0.064 0.000 0.981 113 Y HN 0.217 nan 8.280 nan 0.000 0.507 114 Q N -0.797 118.950 119.800 -0.088 0.000 2.226 114 Q HA -0.143 4.188 4.340 -0.015 0.000 0.204 114 Q C 1.637 177.510 176.000 -0.211 0.000 0.975 114 Q CA 1.006 56.717 55.803 -0.154 0.000 0.866 114 Q CB -0.111 28.615 28.738 -0.020 0.000 0.915 114 Q HN 0.356 nan 8.270 nan 0.000 0.440 115 L N -0.686 120.396 121.223 -0.235 0.000 2.599 115 L HA 0.095 4.426 4.340 -0.015 0.000 0.230 115 L C 1.101 177.802 176.870 -0.282 0.000 1.141 115 L CA 1.353 56.036 54.840 -0.261 0.000 0.877 115 L CB -0.587 41.225 42.059 -0.412 0.000 1.009 115 L HN 0.353 nan 8.230 nan 0.000 0.447 116 G N -0.225 108.386 108.800 -0.315 0.000 2.160 116 G HA2 -0.249 3.702 3.960 -0.015 0.000 0.244 116 G HA3 -0.249 3.702 3.960 -0.015 0.000 0.244 116 G C 0.025 174.770 174.900 -0.258 0.000 1.022 116 G CA 0.376 45.296 45.100 -0.301 0.000 0.741 116 G HN 0.309 nan 8.290 nan 0.000 0.508 117 L N -0.440 120.630 121.223 -0.254 0.000 2.354 117 L HA 0.607 4.938 4.340 -0.015 0.000 0.264 117 L C -0.519 176.306 176.870 -0.075 0.000 1.008 117 L CA -1.230 53.496 54.840 -0.190 0.000 0.819 117 L CB 1.894 43.780 42.059 -0.289 0.000 1.339 117 L HN 0.059 nan 8.230 nan 0.000 0.420 118 D N 2.073 122.464 120.400 -0.016 0.000 2.380 118 D HA 0.147 4.778 4.640 -0.015 0.000 0.230 118 D C 0.726 177.053 176.300 0.046 0.000 1.154 118 D CA -0.204 53.818 54.000 0.036 0.000 0.859 118 D CB 1.407 42.234 40.800 0.046 0.000 1.045 118 D HN 0.552 nan 8.370 nan 0.000 0.495 119 M N 3.372 123.001 119.600 0.047 0.000 2.106 119 M HA -0.205 4.266 4.480 -0.015 0.000 0.259 119 M C 1.440 177.784 176.300 0.072 0.000 1.068 119 M CA 1.677 57.014 55.300 0.061 0.000 1.100 119 M CB 0.146 32.776 32.600 0.050 0.000 1.351 119 M HN 0.403 nan 8.290 nan 0.000 0.404 120 E N -0.292 119.943 120.200 0.059 0.000 2.110 120 E HA -0.271 4.070 4.350 -0.015 0.000 0.193 120 E C 1.898 178.534 176.600 0.061 0.000 0.988 120 E CA 1.562 57.995 56.400 0.055 0.000 0.804 120 E CB -0.223 29.508 29.700 0.050 0.000 0.745 120 E HN 0.656 nan 8.360 nan 0.000 0.458 121 E N 0.282 120.521 120.200 0.064 0.000 2.204 121 E HA -0.192 4.149 4.350 -0.015 0.000 0.195 121 E C 1.797 178.441 176.600 0.074 0.000 0.990 121 E CA 0.523 56.961 56.400 0.064 0.000 0.821 121 E CB 0.211 29.949 29.700 0.063 0.000 0.750 121 E HN 0.085 nan 8.360 nan 0.000 0.477 122 L N 0.971 122.257 121.223 0.105 0.000 2.131 122 L HA -0.034 4.297 4.340 -0.015 0.000 0.206 122 L C 2.000 178.935 176.870 0.108 0.000 1.087 122 L CA 1.453 56.388 54.840 0.158 0.000 0.767 122 L CB -0.467 41.738 42.059 0.243 0.000 0.917 122 L HN 0.077 nan 8.230 nan 0.000 0.441 123 E N -0.591 119.663 120.200 0.089 0.000 2.153 123 E HA -0.188 4.153 4.350 -0.015 0.000 0.194 123 E C 1.753 178.322 176.600 -0.051 0.000 0.988 123 E CA 0.682 57.108 56.400 0.044 0.000 0.811 123 E CB 0.123 29.852 29.700 0.049 0.000 0.746 123 E HN 0.342 nan 8.360 nan 0.000 0.466 124 E N 0.073 120.256 120.200 -0.027 0.000 2.409 124 E HA -0.114 4.227 4.350 -0.015 0.000 0.198 124 E C 1.739 178.277 176.600 -0.104 0.000 1.024 124 E CA 0.551 56.932 56.400 -0.031 0.000 0.861 124 E CB 0.085 29.797 29.700 0.021 0.000 0.788 124 E HN 0.397 nan 8.360 nan 0.000 0.521 125 I N 0.763 121.213 120.570 -0.200 0.000 2.876 125 I HA -0.094 4.067 4.170 -0.015 0.000 0.264 125 I C 1.283 177.083 176.117 -0.530 0.000 1.204 125 I CA 0.182 61.293 61.300 -0.316 0.000 1.485 125 I CB 0.183 38.004 38.000 -0.299 0.000 1.103 125 I HN -0.050 nan 8.210 nan 0.000 0.446 126 E N 2.430 122.214 120.200 -0.692 0.000 2.366 126 E HA -0.061 4.280 4.350 -0.015 0.000 0.266 126 E C 0.060 176.544 176.600 -0.194 0.000 1.015 126 E CA -0.135 55.895 56.400 -0.617 0.000 0.906 126 E CB 0.548 30.015 29.700 -0.388 0.000 0.979 126 E HN 0.110 nan 8.360 nan 0.000 0.443 127 E N 3.212 123.379 120.200 -0.055 0.000 2.366 127 E HA 0.045 4.386 4.350 -0.015 0.000 0.266 127 E C -1.021 175.666 176.600 0.144 0.000 1.051 127 E CA -0.306 56.152 56.400 0.096 0.000 0.884 127 E CB 0.751 30.585 29.700 0.224 0.000 1.006 127 E HN 0.397 nan 8.360 nan 0.000 0.417 128 D N 1.517 121.985 120.400 0.114 0.000 2.372 128 D HA 0.278 4.909 4.640 -0.015 0.000 0.243 128 D C -0.882 175.454 176.300 0.060 0.000 1.121 128 D CA 0.232 54.274 54.000 0.070 0.000 0.898 128 D CB 1.041 41.865 40.800 0.040 0.000 1.202 128 D HN 0.435 nan 8.370 nan 0.000 0.428 129 A N 2.188 124.996 122.820 -0.020 0.000 2.910 129 A HA 0.477 4.788 4.320 -0.015 0.000 0.316 129 A C 0.897 178.350 177.584 -0.218 0.000 1.493 129 A CA -0.527 51.335 52.037 -0.292 0.000 1.150 129 A CB -0.279 18.623 19.000 -0.163 0.000 1.159 129 A HN 0.517 nan 8.150 nan 0.000 0.526 130 G N 1.607 110.245 108.800 -0.270 0.000 3.541 130 G HA2 0.409 4.360 3.960 -0.015 0.000 0.253 130 G HA3 0.409 4.360 3.960 -0.015 0.000 0.253 130 G C 0.242 174.918 174.900 -0.373 0.000 1.017 130 G CA -0.260 44.753 45.100 -0.146 0.000 1.832 130 G HN 0.669 nan 8.290 nan 0.000 0.649 131 L N 1.570 122.628 121.223 -0.276 0.000 2.934 131 L HA 0.451 4.782 4.340 -0.015 0.000 0.233 131 L C 0.900 177.690 176.870 -0.133 0.000 1.358 131 L CA -0.322 54.441 54.840 -0.128 0.000 1.233 131 L CB -0.284 41.829 42.059 0.090 0.000 1.594 131 L HN 0.308 nan 8.230 nan 0.000 0.439 132 G N -0.934 107.560 108.800 -0.511 0.000 2.601 132 G HA2 0.177 4.128 3.960 -0.015 0.000 0.291 132 G HA3 0.177 4.128 3.960 -0.015 0.000 0.291 132 G C -0.256 174.165 174.900 -0.799 0.000 1.456 132 G CA -0.484 44.284 45.100 -0.554 0.000 0.804 132 G HN 0.012 nan 8.290 nan 0.000 0.499 133 N N -0.711 117.766 118.700 -0.373 0.000 2.439 133 N HA 0.195 4.926 4.740 -0.015 0.000 0.176 133 N C 1.193 176.682 175.510 -0.035 0.000 1.029 133 N CA 1.268 54.191 53.050 -0.212 0.000 0.886 133 N CB 1.259 39.729 38.487 -0.029 0.000 1.057 133 N HN 0.806 nan 8.380 nan 0.000 0.437 134 G N -0.551 108.306 108.800 0.096 0.000 3.074 134 G HA2 0.182 4.133 3.960 -0.015 0.000 0.127 134 G HA3 0.182 4.133 3.960 -0.015 0.000 0.127 134 G C 0.721 175.753 174.900 0.220 0.000 1.216 134 G CA 0.278 45.528 45.100 0.250 0.000 1.390 134 G HN 0.160 nan 8.290 nan 0.000 0.676 135 G N 0.429 109.305 108.800 0.127 0.000 2.421 135 G HA2 -0.049 3.902 3.960 -0.015 0.000 0.216 135 G HA3 -0.049 3.902 3.960 -0.015 0.000 0.216 135 G C 1.890 176.799 174.900 0.015 0.000 1.171 135 G CA 1.411 46.548 45.100 0.063 0.000 0.775 135 G HN 0.725 nan 8.290 nan 0.000 0.543 136 L N 0.704 121.915 121.223 -0.020 0.000 2.042 136 L HA 0.056 4.387 4.340 -0.015 0.000 0.210 136 L C 2.808 179.625 176.870 -0.089 0.000 1.076 136 L CA 1.954 56.706 54.840 -0.148 0.000 0.749 136 L CB -0.495 41.446 42.059 -0.197 0.000 0.893 136 L HN 0.244 nan 8.230 nan 0.000 0.432 137 G N -0.918 107.887 108.800 0.010 0.000 2.403 137 G HA2 -0.226 3.725 3.960 -0.015 0.000 0.216 137 G HA3 -0.226 3.725 3.960 -0.015 0.000 0.216 137 G C 1.700 176.684 174.900 0.140 0.000 1.154 137 G CA 0.165 45.296 45.100 0.052 0.000 0.784 137 G HN 0.167 nan 8.290 nan 0.000 0.538 138 R N -0.080 120.529 120.500 0.182 0.000 2.115 138 R HA 0.126 4.457 4.340 -0.015 0.000 0.226 138 R C 2.447 178.768 176.300 0.036 0.000 1.100 138 R CA 0.547 56.731 56.100 0.140 0.000 0.980 138 R CB -0.828 29.525 30.300 0.087 0.000 0.875 138 R HN 0.410 nan 8.270 nan 0.000 0.445 139 L N 0.711 121.887 121.223 -0.079 0.000 1.989 139 L HA -0.114 4.217 4.340 -0.015 0.000 0.211 139 L C 2.248 178.864 176.870 -0.423 0.000 1.071 139 L CA 2.273 56.929 54.840 -0.307 0.000 0.749 139 L CB -0.839 40.979 42.059 -0.402 0.000 0.890 139 L HN 0.175 nan 8.230 nan 0.000 0.431 140 A N -0.517 122.158 122.820 -0.241 0.000 1.927 140 A HA -0.268 4.043 4.320 -0.015 0.000 0.220 140 A C 2.438 180.092 177.584 0.116 0.000 1.185 140 A CA 2.376 54.362 52.037 -0.086 0.000 0.639 140 A CB -1.313 17.605 19.000 -0.138 0.000 0.820 140 A HN 0.618 nan 8.150 nan 0.000 0.451 141 A N -1.385 121.539 122.820 0.172 0.000 1.898 141 A HA -0.144 4.167 4.320 -0.015 0.000 0.216 141 A C 2.333 180.005 177.584 0.147 0.000 1.181 141 A CA 1.634 53.796 52.037 0.208 0.000 0.620 141 A CB -1.245 17.862 19.000 0.177 0.000 0.819 141 A HN 0.611 nan 8.150 nan 0.000 0.442 142 C N -1.600 117.789 119.300 0.148 0.000 2.429 142 C HA -0.046 4.405 4.460 -0.015 0.000 0.277 142 C C 2.426 177.589 174.990 0.290 0.000 1.262 142 C CA 0.617 59.759 59.018 0.206 0.000 1.733 142 C CB -1.581 26.309 27.740 0.250 0.000 2.010 142 C HN 0.606 nan 8.230 nan 0.000 0.483 143 F N 0.520 120.466 119.950 -0.006 0.000 2.095 143 F HA -0.099 4.418 4.527 -0.015 0.000 0.298 143 F C 2.128 177.876 175.800 -0.088 0.000 1.104 143 F CA 1.129 59.072 58.000 -0.096 0.000 1.232 143 F CB -1.400 37.412 39.000 -0.315 0.000 0.987 143 F HN 0.081 nan 8.300 nan 0.000 0.475 144 L N 0.453 121.767 121.223 0.153 0.000 1.990 144 L HA -0.262 4.069 4.340 -0.015 0.000 0.213 144 L C 2.444 179.335 176.870 0.035 0.000 1.072 144 L CA 2.060 56.944 54.840 0.072 0.000 0.755 144 L CB -1.316 40.798 42.059 0.091 0.000 0.889 144 L HN 0.215 nan 8.230 nan 0.000 0.432 145 D N -1.442 118.985 120.400 0.046 0.000 2.149 145 D HA -0.179 4.452 4.640 -0.015 0.000 0.198 145 D C 1.897 178.216 176.300 0.032 0.000 0.990 145 D CA 1.542 55.553 54.000 0.018 0.000 0.839 145 D CB 0.431 41.238 40.800 0.011 0.000 0.948 145 D HN 0.334 nan 8.370 nan 0.000 0.460 146 S N -0.271 115.463 115.700 0.057 0.000 2.371 146 S HA -0.031 4.431 4.470 -0.015 0.000 0.224 146 S C 2.104 176.715 174.600 0.018 0.000 1.029 146 S CA 0.617 58.841 58.200 0.040 0.000 0.978 146 S CB -0.075 63.153 63.200 0.045 0.000 0.833 146 S HN 0.325 nan 8.310 nan 0.000 0.466 147 M N 0.961 120.564 119.600 0.005 0.000 2.279 147 M HA -0.091 4.380 4.480 -0.015 0.000 0.264 147 M C 2.275 178.572 176.300 -0.005 0.000 1.062 147 M CA 1.283 56.581 55.300 -0.004 0.000 1.099 147 M CB -0.396 32.182 32.600 -0.036 0.000 1.394 147 M HN 0.385 nan 8.290 nan 0.000 0.426 148 A N -0.523 122.295 122.820 -0.004 0.000 1.930 148 A HA -0.075 4.236 4.320 -0.015 0.000 0.215 148 A C 2.143 179.739 177.584 0.020 0.000 1.176 148 A CA 1.648 53.685 52.037 0.001 0.000 0.632 148 A CB -0.853 18.135 19.000 -0.021 0.000 0.819 148 A HN 0.377 nan 8.150 nan 0.000 0.445 149 T N 0.260 114.833 114.554 0.031 0.000 2.915 149 T HA 0.042 4.383 4.350 -0.015 0.000 0.269 149 T C 1.291 176.019 174.700 0.047 0.000 1.071 149 T CA 0.924 63.057 62.100 0.054 0.000 1.132 149 T CB -0.226 68.683 68.868 0.068 0.000 0.878 149 T HN 0.319 nan 8.240 nan 0.000 0.479 150 L N 0.451 121.696 121.223 0.037 0.000 2.653 150 L HA 0.302 4.633 4.340 -0.015 0.000 0.231 150 L C 1.507 178.402 176.870 0.041 0.000 1.153 150 L CA -0.150 54.713 54.840 0.038 0.000 0.933 150 L CB -0.338 41.743 42.059 0.038 0.000 1.175 150 L HN 0.377 nan 8.230 nan 0.000 0.473 151 G N 1.467 110.292 108.800 0.043 0.000 2.323 151 G HA2 -0.282 3.669 3.960 -0.015 0.000 0.292 151 G HA3 -0.282 3.669 3.960 -0.015 0.000 0.292 151 G C -0.008 174.921 174.900 0.049 0.000 1.040 151 G CA 0.099 45.237 45.100 0.064 0.000 0.942 151 G HN 0.279 nan 8.290 nan 0.000 0.506 152 L N -0.348 120.874 121.223 -0.002 0.000 2.343 152 L HA 0.650 4.981 4.340 -0.015 0.000 0.275 152 L C 1.120 177.833 176.870 -0.261 0.000 1.056 152 L CA -0.525 54.263 54.840 -0.088 0.000 0.804 152 L CB 1.777 43.804 42.059 -0.053 0.000 1.203 152 L HN 0.278 nan 8.230 nan 0.000 0.440 153 A N 2.898 125.429 122.820 -0.482 0.000 2.990 153 A HA 0.589 4.900 4.320 -0.015 0.000 0.282 153 A C 0.214 177.423 177.584 -0.625 0.000 1.688 153 A CA -0.185 51.296 52.037 -0.927 0.000 1.391 153 A CB -0.607 17.788 19.000 -1.008 0.000 1.112 153 A HN 0.677 nan 8.150 nan 0.000 0.588 154 A N 1.575 124.076 122.820 -0.533 0.000 2.350 154 A HA 0.773 5.084 4.320 -0.015 0.000 0.324 154 A C -1.050 176.285 177.584 -0.416 0.000 1.118 154 A CA -0.467 51.329 52.037 -0.402 0.000 0.783 154 A CB 0.749 19.590 19.000 -0.266 0.000 1.236 154 A HN 0.615 nan 8.150 nan 0.000 0.457 155 Y N 0.660 120.922 120.300 -0.064 0.000 2.350 155 Y HA 0.540 5.081 4.550 -0.015 0.000 0.338 155 Y C 0.912 176.935 175.900 0.206 0.000 0.961 155 Y CA -0.623 57.520 58.100 0.071 0.000 1.100 155 Y CB 2.283 40.872 38.460 0.215 0.000 1.179 155 Y HN 0.805 nan 8.280 nan 0.000 0.454 156 G N 2.386 111.303 108.800 0.195 0.000 2.339 156 G HA2 0.399 4.350 3.960 -0.015 0.000 0.287 156 G HA3 0.399 4.350 3.960 -0.015 0.000 0.287 156 G C -1.673 173.269 174.900 0.071 0.000 1.163 156 G CA -0.212 45.040 45.100 0.254 0.000 0.872 156 G HN 0.541 nan 8.290 nan 0.000 0.464 157 Y N 1.374 121.926 120.300 0.420 0.000 2.331 157 Y HA 0.612 5.153 4.550 -0.015 0.000 0.334 157 Y C 0.769 176.986 175.900 0.528 0.000 0.960 157 Y CA 0.234 58.541 58.100 0.344 0.000 1.130 157 Y CB 2.529 41.211 38.460 0.370 0.000 1.164 157 Y HN 0.848 nan 8.280 nan 0.000 0.458 158 G N 2.619 111.740 108.800 0.535 0.000 2.753 158 G HA2 0.574 4.525 3.960 -0.015 0.000 0.303 158 G HA3 0.574 4.525 3.960 -0.015 0.000 0.303 158 G C -1.702 173.458 174.900 0.433 0.000 1.242 158 G CA -0.817 44.640 45.100 0.595 0.000 0.810 158 G HN 0.419 nan 8.290 nan 0.000 0.515 159 I N 0.510 121.235 120.570 0.259 0.000 2.441 159 I HA 0.429 4.590 4.170 -0.015 0.000 0.295 159 I C 0.207 176.253 176.117 -0.118 0.000 0.994 159 I CA -0.728 60.613 61.300 0.068 0.000 1.144 159 I CB 2.201 40.034 38.000 -0.278 0.000 1.314 159 I HN 0.375 nan 8.210 nan 0.000 0.445 160 R N 6.176 126.690 120.500 0.023 0.000 2.870 160 R HA 0.249 4.580 4.340 -0.015 0.000 0.254 160 R C -1.223 175.140 176.300 0.105 0.000 1.392 160 R CA -0.473 55.673 56.100 0.076 0.000 1.322 160 R CB -0.079 30.238 30.300 0.029 0.000 1.205 160 R HN 0.393 nan 8.270 nan 0.000 0.597 161 Y N 1.479 121.933 120.300 0.257 0.000 2.497 161 Y HA -0.066 4.475 4.550 -0.015 0.000 0.334 161 Y C 1.537 177.616 175.900 0.297 0.000 1.199 161 Y CA 0.072 58.315 58.100 0.238 0.000 1.425 161 Y CB 0.808 39.389 38.460 0.202 0.000 1.291 161 Y HN 0.550 nan 8.280 nan 0.000 0.562 162 E N 1.139 121.528 120.200 0.316 0.000 2.435 162 E HA 0.042 4.383 4.350 -0.015 0.000 0.195 162 E C -0.781 175.732 176.600 -0.144 0.000 1.029 162 E CA 0.453 56.872 56.400 0.032 0.000 0.865 162 E CB 0.093 29.639 29.700 -0.256 0.000 0.833 162 E HN 0.435 nan 8.360 nan 0.000 0.510 163 F N 1.127 121.308 119.950 0.386 0.000 2.496 163 F HA 0.469 4.987 4.527 -0.015 0.000 0.341 163 F C 0.853 176.733 175.800 0.133 0.000 1.134 163 F CA -1.054 57.114 58.000 0.281 0.000 0.968 163 F CB 2.075 41.173 39.000 0.164 0.000 1.205 163 F HN -0.061 nan 8.300 nan 0.000 0.436 164 G N 1.973 110.875 108.800 0.171 0.000 2.546 164 G HA2 0.319 4.270 3.960 -0.015 0.000 0.239 164 G HA3 0.319 4.270 3.960 -0.015 0.000 0.239 164 G C -0.481 174.372 174.900 -0.078 0.000 1.476 164 G CA -0.644 44.400 45.100 -0.092 0.000 1.064 164 G HN 0.504 nan 8.290 nan 0.000 0.561 165 I N 0.924 121.369 120.570 -0.208 0.000 2.775 165 I HA 0.208 4.369 4.170 -0.015 0.000 0.290 165 I C 0.518 176.531 176.117 -0.173 0.000 1.203 165 I CA -1.187 59.959 61.300 -0.256 0.000 1.433 165 I CB -0.283 37.468 38.000 -0.416 0.000 1.354 165 I HN 0.321 nan 8.210 nan 0.000 0.579 166 F N 6.375 126.332 119.950 0.012 0.000 2.595 166 F HA 0.264 4.782 4.527 -0.015 0.000 0.359 166 F C 0.489 176.336 175.800 0.078 0.000 1.147 166 F CA -0.552 57.478 58.000 0.050 0.000 1.341 166 F CB -0.283 38.734 39.000 0.027 0.000 1.104 166 F HN 0.423 nan 8.300 nan 0.000 0.603 167 N N 2.577 121.459 118.700 0.303 0.000 2.458 167 N HA 0.042 4.774 4.740 -0.015 0.000 0.270 167 N C -0.752 174.996 175.510 0.398 0.000 1.102 167 N CA -0.254 52.942 53.050 0.242 0.000 0.967 167 N CB 1.137 39.755 38.487 0.219 0.000 1.078 167 N HN 0.767 nan 8.380 nan 0.000 0.471 168 Q N 2.461 122.467 119.800 0.343 0.000 2.267 168 Q HA 0.167 4.498 4.340 -0.015 0.000 0.255 168 Q C -0.917 175.257 176.000 0.289 0.000 0.923 168 Q CA -0.126 55.919 55.803 0.403 0.000 0.925 168 Q CB 0.716 29.688 28.738 0.391 0.000 1.195 168 Q HN 0.259 nan 8.270 nan 0.000 0.417 169 K N 4.451 124.999 120.400 0.246 0.000 2.397 169 K HA 0.426 4.737 4.320 -0.015 0.000 0.253 169 K C -0.937 175.768 176.600 0.173 0.000 0.932 169 K CA -0.919 55.487 56.287 0.198 0.000 0.795 169 K CB 1.564 34.158 32.500 0.157 0.000 1.159 169 K HN 0.615 nan 8.250 nan 0.000 0.424 170 I N 2.765 123.434 120.570 0.165 0.000 2.307 170 I HA 0.190 4.351 4.170 -0.015 0.000 0.289 170 I C -0.107 176.076 176.117 0.110 0.000 1.021 170 I CA -0.769 60.602 61.300 0.118 0.000 1.224 170 I CB 0.536 38.592 38.000 0.092 0.000 1.376 170 I HN 0.458 nan 8.210 nan 0.000 0.470 171 C N 4.336 123.712 119.300 0.126 0.000 2.301 171 C HA 0.583 5.034 4.460 -0.015 0.000 0.323 171 C C 1.175 176.271 174.990 0.177 0.000 1.265 171 C CA -0.275 58.820 59.018 0.128 0.000 1.503 171 C CB 0.344 28.152 27.740 0.113 0.000 2.195 171 C HN 1.084 nan 8.230 nan 0.000 0.477 172 G N 2.764 111.639 108.800 0.126 0.000 2.225 172 G HA2 0.084 4.035 3.960 -0.015 0.000 0.267 172 G HA3 0.084 4.035 3.960 -0.015 0.000 0.267 172 G C 1.074 176.002 174.900 0.046 0.000 1.024 172 G CA 0.968 46.150 45.100 0.137 0.000 0.784 172 G HN 2.305 nan 8.290 nan 0.000 0.507 173 G N -2.924 105.846 108.800 -0.050 0.000 2.199 173 G HA2 -0.283 3.668 3.960 -0.015 0.000 0.254 173 G HA3 -0.283 3.668 3.960 -0.015 0.000 0.254 173 G C 0.355 175.025 174.900 -0.383 0.000 0.982 173 G CA 0.619 45.562 45.100 -0.262 0.000 0.632 173 G HN 1.202 nan 8.290 nan 0.000 0.529 174 W N 0.970 122.220 121.300 -0.083 0.000 2.512 174 W HA 0.671 5.322 4.660 -0.015 0.000 0.335 174 W C 0.604 177.077 176.519 -0.076 0.000 1.088 174 W CA -0.853 56.436 57.345 -0.093 0.000 1.236 174 W CB 0.843 30.261 29.460 -0.070 0.000 1.307 174 W HN 0.253 nan 8.180 nan 0.000 0.567 175 Q N 3.018 122.927 119.800 0.181 0.000 2.314 175 Q HA 0.299 4.630 4.340 -0.015 0.000 0.258 175 Q C -0.667 175.391 176.000 0.097 0.000 0.954 175 Q CA 0.023 55.898 55.803 0.121 0.000 0.890 175 Q CB 0.638 29.439 28.738 0.104 0.000 1.210 175 Q HN 0.324 nan 8.270 nan 0.000 0.410 176 M N 3.187 122.839 119.600 0.087 0.000 2.321 176 M HA 0.384 4.855 4.480 -0.015 0.000 0.315 176 M C -1.165 175.142 176.300 0.012 0.000 1.052 176 M CA -0.620 54.698 55.300 0.030 0.000 0.936 176 M CB 1.743 34.377 32.600 0.056 0.000 1.639 176 M HN 0.634 nan 8.290 nan 0.000 0.433 177 E N 1.812 121.946 120.200 -0.110 0.000 2.204 177 E HA 0.528 4.869 4.350 -0.015 0.000 0.276 177 E C -0.616 175.971 176.600 -0.022 0.000 0.974 177 E CA -0.574 55.725 56.400 -0.169 0.000 0.815 177 E CB 1.824 31.141 29.700 -0.639 0.000 1.119 177 E HN 0.539 nan 8.360 nan 0.000 0.393 178 E N 1.258 121.527 120.200 0.114 0.000 2.321 178 E HA 0.604 4.945 4.350 -0.015 0.000 0.278 178 E C -1.236 175.459 176.600 0.158 0.000 0.902 178 E CA -1.280 55.181 56.400 0.101 0.000 0.758 178 E CB 1.324 31.090 29.700 0.109 0.000 1.213 178 E HN 0.534 nan 8.360 nan 0.000 0.426 179 A N 2.913 125.785 122.820 0.086 0.000 2.587 179 A HA -0.004 4.307 4.320 -0.015 0.000 0.235 179 A C 0.071 177.824 177.584 0.283 0.000 1.044 179 A CA 0.829 52.929 52.037 0.106 0.000 0.754 179 A CB -0.074 18.866 19.000 -0.099 0.000 0.968 179 A HN 0.689 nan 8.150 nan 0.000 0.509 180 D N 1.685 122.326 120.400 0.403 0.000 2.524 180 D HA 0.185 4.817 4.640 -0.015 0.000 0.222 180 D C -0.465 176.161 176.300 0.544 0.000 1.142 180 D CA -0.297 53.943 54.000 0.399 0.000 0.973 180 D CB 0.321 41.288 40.800 0.279 0.000 1.025 180 D HN 0.365 nan 8.370 nan 0.000 0.519 181 D N 3.660 124.351 120.400 0.484 0.000 2.671 181 D HA -0.042 4.589 4.640 -0.015 0.000 0.228 181 D C 1.102 177.554 176.300 0.252 0.000 1.102 181 D CA -0.471 53.720 54.000 0.318 0.000 1.044 181 D CB -0.136 40.851 40.800 0.312 0.000 1.113 181 D HN 0.586 nan 8.370 nan 0.000 0.480 182 W N 2.174 123.512 121.300 0.064 0.000 2.611 182 W HA -0.060 4.591 4.660 -0.015 0.000 0.251 182 W C 0.240 176.819 176.519 0.099 0.000 1.265 182 W CA 0.080 57.482 57.345 0.096 0.000 1.295 182 W CB -0.804 28.712 29.460 0.093 0.000 1.129 182 W HN 0.200 nan 8.180 nan 0.000 0.630 183 L N 0.774 121.665 121.223 -0.555 0.000 2.585 183 L HA 0.182 4.513 4.340 -0.015 0.000 0.226 183 L C 2.757 179.498 176.870 -0.216 0.000 1.113 183 L CA 0.007 54.506 54.840 -0.568 0.000 0.876 183 L CB -0.669 40.922 42.059 -0.781 0.000 1.072 183 L HN -0.131 nan 8.230 nan 0.000 0.468 184 R N 0.890 121.327 120.500 -0.106 0.000 2.190 184 R HA -0.269 4.062 4.340 -0.015 0.000 0.255 184 R C 1.357 177.541 176.300 -0.193 0.000 1.143 184 R CA 2.361 58.388 56.100 -0.121 0.000 0.965 184 R CB -0.326 29.950 30.300 -0.042 0.000 0.889 184 R HN 0.351 nan 8.270 nan 0.000 0.448 185 Y N -0.671 119.643 120.300 0.024 0.000 2.457 185 Y HA 0.328 4.870 4.550 -0.015 0.000 0.263 185 Y C 0.749 176.648 175.900 -0.003 0.000 1.164 185 Y CA 0.271 58.396 58.100 0.041 0.000 1.274 185 Y CB 1.189 39.772 38.460 0.205 0.000 1.097 185 Y HN 0.479 nan 8.280 nan 0.000 0.523 186 G N 1.399 110.253 108.800 0.090 0.000 2.650 186 G HA2 -0.211 3.740 3.960 -0.015 0.000 0.686 186 G HA3 -0.211 3.740 3.960 -0.015 0.000 0.686 186 G C -1.361 173.617 174.900 0.131 0.000 1.205 186 G CA -0.938 44.181 45.100 0.031 0.000 0.781 186 G HN 0.186 nan 8.290 nan 0.000 0.648 187 N N 1.748 120.467 118.700 0.031 0.000 2.626 187 N HA 0.499 5.230 4.740 -0.015 0.000 0.249 187 N C -0.610 174.905 175.510 0.008 0.000 1.021 187 N CA -2.028 51.060 53.050 0.064 0.000 0.886 187 N CB 1.821 40.284 38.487 -0.039 0.000 1.149 187 N HN 0.246 nan 8.380 nan 0.000 0.517 188 P HA -0.060 nan 4.420 nan 0.000 0.226 188 P C 0.596 177.550 177.300 -0.576 0.000 1.146 188 P CA 0.927 63.714 63.100 -0.523 0.000 0.773 188 P CB 0.088 31.200 31.700 -0.980 0.000 0.772 189 W N 1.688 123.003 121.300 0.025 0.000 2.576 189 W HA 0.062 4.713 4.660 -0.015 0.000 0.275 189 W C 1.366 177.931 176.519 0.077 0.000 1.241 189 W CA -0.319 57.039 57.345 0.020 0.000 1.328 189 W CB -0.389 29.082 29.460 0.018 0.000 1.092 189 W HN -0.019 nan 8.180 nan 0.000 0.586 190 E N 1.895 122.277 120.200 0.303 0.000 2.349 190 E HA 0.255 4.596 4.350 -0.015 0.000 0.265 190 E C -0.585 176.194 176.600 0.298 0.000 1.064 190 E CA -0.596 55.992 56.400 0.313 0.000 0.886 190 E CB 1.189 31.082 29.700 0.322 0.000 1.036 190 E HN -0.310 nan 8.360 nan 0.000 0.413 191 K N 1.741 122.338 120.400 0.328 0.000 2.507 191 K HA 0.397 4.708 4.320 -0.015 0.000 0.253 191 K C -1.155 175.485 176.600 0.067 0.000 0.969 191 K CA -0.457 55.957 56.287 0.211 0.000 0.908 191 K CB 1.388 34.023 32.500 0.225 0.000 1.127 191 K HN 0.655 nan 8.250 nan 0.000 0.437 192 A N 4.249 127.021 122.820 -0.080 0.000 2.511 192 A HA 0.309 4.620 4.320 -0.015 0.000 0.242 192 A C -0.256 177.141 177.584 -0.313 0.000 1.069 192 A CA -0.020 51.703 52.037 -0.523 0.000 0.763 192 A CB 0.200 18.929 19.000 -0.452 0.000 1.001 192 A HN 0.671 nan 8.150 nan 0.000 0.498 193 R N 3.411 123.712 120.500 -0.332 0.000 2.748 193 R HA 0.205 4.536 4.340 -0.015 0.000 0.283 193 R C -2.373 173.803 176.300 -0.205 0.000 1.507 193 R CA -1.627 54.370 56.100 -0.171 0.000 1.666 193 R CB 0.877 31.250 30.300 0.122 0.000 1.237 193 R HN 0.577 nan 8.270 nan 0.000 0.633 194 P HA -0.185 nan 4.420 nan 0.000 0.219 194 P C 0.894 178.084 177.300 -0.183 0.000 1.146 194 P CA 1.130 64.136 63.100 -0.157 0.000 0.808 194 P CB 0.365 31.985 31.700 -0.134 0.000 0.779 195 E N 0.056 120.032 120.200 -0.373 0.000 2.409 195 E HA -0.135 4.206 4.350 -0.015 0.000 0.198 195 E C 0.752 177.060 176.600 -0.488 0.000 1.024 195 E CA 0.748 56.856 56.400 -0.487 0.000 0.861 195 E CB -0.969 28.307 29.700 -0.707 0.000 0.788 195 E HN 0.375 nan 8.360 nan 0.000 0.521 196 F N 1.634 121.594 119.950 0.016 0.000 2.708 196 F HA 0.233 4.751 4.527 -0.015 0.000 0.300 196 F C 0.467 176.353 175.800 0.144 0.000 1.118 196 F CA -0.668 57.371 58.000 0.065 0.000 1.307 196 F CB 0.631 39.660 39.000 0.049 0.000 0.986 196 F HN -0.285 nan 8.300 nan 0.000 0.522 197 T N 3.042 117.725 114.554 0.214 0.000 2.928 197 T HA 0.217 4.558 4.350 -0.015 0.000 0.305 197 T C -0.171 174.643 174.700 0.190 0.000 1.035 197 T CA 0.298 62.534 62.100 0.228 0.000 1.145 197 T CB 0.755 69.708 68.868 0.142 0.000 0.963 197 T HN -0.123 nan 8.240 nan 0.000 0.545 198 L N 5.603 126.923 121.223 0.162 0.000 2.341 198 L HA 0.619 4.950 4.340 -0.015 0.000 0.267 198 L C -2.199 174.651 176.870 -0.034 0.000 1.009 198 L CA -2.658 52.203 54.840 0.035 0.000 0.819 198 L CB 1.719 43.740 42.059 -0.063 0.000 1.323 198 L HN 0.389 nan 8.230 nan 0.000 0.425 199 P HA 0.435 nan 4.420 nan 0.000 0.290 199 P C -1.272 175.902 177.300 -0.211 0.000 1.275 199 P CA -0.483 62.547 63.100 -0.117 0.000 0.841 199 P CB 2.004 33.632 31.700 -0.120 0.000 1.042 200 V N 3.534 123.308 119.914 -0.233 0.000 2.638 200 V HA 0.324 4.435 4.120 -0.015 0.000 0.306 200 V C 0.112 175.986 176.094 -0.365 0.000 1.052 200 V CA -0.615 61.539 62.300 -0.242 0.000 0.885 200 V CB 1.589 33.351 31.823 -0.101 0.000 0.999 200 V HN 0.618 nan 8.190 nan 0.000 0.424 201 H N 3.618 122.526 119.070 -0.270 0.000 2.496 201 H HA 0.662 5.209 4.556 -0.015 0.000 0.342 201 H C -1.338 173.591 175.328 -0.664 0.000 1.170 201 H CA -0.180 55.595 56.048 -0.455 0.000 1.274 201 H CB 1.942 31.163 29.762 -0.901 0.000 1.538 201 H HN 0.474 nan 8.280 nan 0.000 0.542 202 F N -0.403 119.540 119.950 -0.012 0.000 2.631 202 F HA 0.185 4.703 4.527 -0.015 0.000 0.308 202 F C -0.400 175.476 175.800 0.127 0.000 1.097 202 F CA -0.551 57.455 58.000 0.010 0.000 0.952 202 F CB 1.062 40.003 39.000 -0.099 0.000 1.307 202 F HN 0.569 nan 8.300 nan 0.000 0.450 203 Y N 0.317 120.860 120.300 0.406 0.000 2.887 203 Y HA -0.034 4.507 4.550 -0.015 0.000 0.467 203 Y C 1.464 177.571 175.900 0.345 0.000 1.191 203 Y CA 0.715 58.987 58.100 0.287 0.000 2.537 203 Y CB -1.942 36.617 38.460 0.165 0.000 1.225 203 Y HN 1.340 nan 8.280 nan 0.000 0.630 204 G N 0.924 109.953 108.800 0.383 0.000 2.601 204 G HA2 0.061 4.012 3.960 -0.015 0.000 0.252 204 G HA3 0.061 4.012 3.960 -0.015 0.000 0.252 204 G C -0.443 174.639 174.900 0.304 0.000 1.294 204 G CA 1.177 46.426 45.100 0.249 0.000 0.912 204 G HN 1.377 nan 8.290 nan 0.000 0.574 205 R N -2.591 118.087 120.500 0.296 0.000 2.733 205 R HA 0.681 5.012 4.340 -0.015 0.000 0.272 205 R C -1.517 174.906 176.300 0.204 0.000 1.029 205 R CA -0.876 55.351 56.100 0.212 0.000 0.888 205 R CB 1.204 31.578 30.300 0.123 0.000 1.251 205 R HN 0.929 nan 8.270 nan 0.000 0.464 206 V N 1.066 121.020 119.914 0.068 0.000 2.398 206 V HA 0.354 4.465 4.120 -0.015 0.000 0.286 206 V C -0.197 175.830 176.094 -0.112 0.000 1.026 206 V CA -0.526 61.742 62.300 -0.053 0.000 0.868 206 V CB 1.374 33.089 31.823 -0.181 0.000 0.982 206 V HN 0.668 nan 8.190 nan 0.000 0.443 207 E N 3.138 123.259 120.200 -0.132 0.000 2.166 207 E HA 0.404 4.745 4.350 -0.015 0.000 0.275 207 E C -1.012 175.470 176.600 -0.196 0.000 0.941 207 E CA -0.704 55.641 56.400 -0.092 0.000 0.784 207 E CB 1.082 30.773 29.700 -0.016 0.000 1.115 207 E HN 0.655 nan 8.360 nan 0.000 0.399 208 H N 2.429 121.513 119.070 0.023 0.000 2.685 208 H HA 0.194 4.741 4.556 -0.015 0.000 0.286 208 H C -0.359 174.978 175.328 0.015 0.000 1.102 208 H CA -0.224 55.832 56.048 0.015 0.000 1.254 208 H CB 0.824 30.590 29.762 0.007 0.000 1.397 208 H HN 0.439 nan 8.280 nan 0.000 0.473 209 T N 0.000 114.612 114.554 0.096 0.000 2.861 209 T HA 0.286 4.627 4.350 -0.015 0.000 0.287 209 T C 1.138 175.871 174.700 0.056 0.000 1.003 209 T CA -0.238 61.902 62.100 0.066 0.000 0.977 209 T CB 1.936 70.828 68.868 0.041 0.000 0.996 209 T HN 0.524 nan 8.240 nan 0.000 0.448 210 S N 2.627 118.354 115.700 0.046 0.000 2.521 210 S HA -0.376 4.085 4.470 -0.015 0.000 0.517 210 S C 0.976 175.599 174.600 0.037 0.000 0.973 210 S CA 1.968 60.189 58.200 0.036 0.000 3.182 210 S CB -1.370 61.847 63.200 0.028 0.000 2.244 210 S HN 0.862 nan 8.310 nan 0.000 0.529 211 Q N 2.836 122.658 119.800 0.036 0.000 2.819 211 Q HA 0.563 4.894 4.340 -0.015 0.000 0.392 211 Q C 0.249 176.273 176.000 0.039 0.000 1.088 211 Q CA 0.783 56.607 55.803 0.035 0.000 1.062 211 Q CB 0.406 29.161 28.738 0.028 0.000 1.369 211 Q HN 0.955 nan 8.270 nan 0.000 0.434 212 G N -0.474 108.359 108.800 0.055 0.000 2.406 212 G HA2 0.270 4.221 3.960 -0.015 0.000 0.680 212 G HA3 0.270 4.221 3.960 -0.015 0.000 0.680 212 G C -1.115 173.817 174.900 0.054 0.000 1.338 212 G CA -0.647 44.489 45.100 0.059 0.000 0.941 212 G HN 0.447 nan 8.290 nan 0.000 0.633 213 A N 0.316 123.156 122.820 0.032 0.000 2.304 213 A HA 0.836 5.147 4.320 -0.015 0.000 0.271 213 A C 0.360 177.900 177.584 -0.074 0.000 1.091 213 A CA -0.002 51.979 52.037 -0.093 0.000 0.812 213 A CB 0.871 19.773 19.000 -0.164 0.000 1.056 213 A HN 0.770 nan 8.150 nan 0.000 0.489 214 K N 0.541 120.883 120.400 -0.096 0.000 2.507 214 K HA 0.184 4.495 4.320 -0.015 0.000 0.251 214 K C -1.829 174.805 176.600 0.057 0.000 0.943 214 K CA -0.384 55.895 56.287 -0.014 0.000 0.794 214 K CB 1.859 34.353 32.500 -0.009 0.000 1.188 214 K HN 0.728 nan 8.250 nan 0.000 0.428 215 W N 5.206 126.420 121.300 -0.142 0.000 2.387 215 W HA 0.336 4.987 4.660 -0.015 0.000 0.310 215 W C -0.969 175.475 176.519 -0.126 0.000 1.181 215 W CA -0.592 56.670 57.345 -0.139 0.000 1.333 215 W CB 0.352 29.716 29.460 -0.160 0.000 1.286 215 W HN 0.194 nan 8.180 nan 0.000 0.455 216 V N 6.372 126.364 119.914 0.131 0.000 3.113 216 V HA 0.343 4.454 4.120 -0.015 0.000 0.316 216 V C -0.407 175.654 176.094 -0.056 0.000 1.125 216 V CA -0.588 61.696 62.300 -0.027 0.000 1.026 216 V CB 1.997 33.831 31.823 0.018 0.000 1.080 216 V HN 0.443 nan 8.190 nan 0.000 0.444 217 D N 1.473 121.832 120.400 -0.067 0.000 2.697 217 D HA -0.132 4.499 4.640 -0.015 0.000 0.235 217 D C 0.383 176.630 176.300 -0.089 0.000 1.167 217 D CA 1.354 55.316 54.000 -0.064 0.000 0.656 217 D CB -1.190 39.602 40.800 -0.013 0.000 1.025 217 D HN 0.847 nan 8.370 nan 0.000 0.419 218 T N -3.123 111.330 114.554 -0.168 0.000 2.918 218 T HA 0.417 4.758 4.350 -0.015 0.000 0.283 218 T C 0.202 174.872 174.700 -0.050 0.000 1.001 218 T CA -0.918 61.090 62.100 -0.153 0.000 1.041 218 T CB 2.672 71.276 68.868 -0.439 0.000 1.028 218 T HN 0.211 nan 8.240 nan 0.000 0.511 219 Q N 1.219 121.066 119.800 0.078 0.000 2.257 219 Q HA 0.512 4.843 4.340 -0.015 0.000 0.255 219 Q C -1.451 174.612 176.000 0.105 0.000 0.920 219 Q CA -0.831 55.020 55.803 0.081 0.000 0.927 219 Q CB 1.300 30.166 28.738 0.214 0.000 1.229 219 Q HN 0.620 nan 8.270 nan 0.000 0.433 220 V N 4.526 124.457 119.914 0.030 0.000 2.427 220 V HA 0.393 4.504 4.120 -0.015 0.000 0.286 220 V C -0.338 175.808 176.094 0.086 0.000 1.034 220 V CA -0.569 61.712 62.300 -0.031 0.000 0.893 220 V CB 1.623 33.389 31.823 -0.094 0.000 0.982 220 V HN 0.634 nan 8.190 nan 0.000 0.452 221 V N 6.212 126.216 119.914 0.150 0.000 2.604 221 V HA 0.499 4.610 4.120 -0.015 0.000 0.305 221 V C -0.144 176.066 176.094 0.194 0.000 1.043 221 V CA -0.637 61.787 62.300 0.206 0.000 0.888 221 V CB 1.922 33.931 31.823 0.310 0.000 0.995 221 V HN 0.629 nan 8.190 nan 0.000 0.429 222 L N 3.364 124.699 121.223 0.187 0.000 2.357 222 L HA 0.790 5.121 4.340 -0.015 0.000 0.273 222 L C 0.382 177.443 176.870 0.318 0.000 1.080 222 L CA -0.449 54.499 54.840 0.180 0.000 0.803 222 L CB 1.423 43.568 42.059 0.142 0.000 1.174 222 L HN 0.745 nan 8.230 nan 0.000 0.443 223 A N 4.288 127.248 122.820 0.233 0.000 2.285 223 A HA 0.588 4.899 4.320 -0.015 0.000 0.310 223 A C -0.535 177.338 177.584 0.482 0.000 1.266 223 A CA -0.471 51.752 52.037 0.311 0.000 0.832 223 A CB 0.971 19.750 19.000 -0.369 0.000 1.163 223 A HN 0.782 nan 8.150 nan 0.000 0.499 224 M N 6.071 125.998 119.600 0.546 0.000 2.113 224 M HA 0.479 4.950 4.480 -0.015 0.000 0.352 224 M C -2.563 174.016 176.300 0.466 0.000 1.170 224 M CA -1.944 53.615 55.300 0.431 0.000 1.053 224 M CB 1.811 34.592 32.600 0.302 0.000 1.601 224 M HN 0.357 nan 8.290 nan 0.000 0.459 225 P HA 0.292 nan 4.420 nan 0.000 0.284 225 P C -1.951 175.306 177.300 -0.073 0.000 1.258 225 P CA -0.088 62.940 63.100 -0.120 0.000 0.824 225 P CB 0.669 32.084 31.700 -0.475 0.000 1.038 226 Y N 0.101 120.336 120.300 -0.107 0.000 2.373 226 Y HA 0.322 4.863 4.550 -0.015 0.000 0.336 226 Y C -0.098 175.798 175.900 -0.007 0.000 0.979 226 Y CA -0.323 57.778 58.100 0.002 0.000 1.080 226 Y CB 1.599 40.090 38.460 0.051 0.000 1.190 226 Y HN 0.205 nan 8.280 nan 0.000 0.446 227 D N 2.038 122.567 120.400 0.215 0.000 2.193 227 D HA 0.420 5.051 4.640 -0.015 0.000 0.244 227 D C -0.654 175.898 176.300 0.420 0.000 1.064 227 D CA -0.262 53.911 54.000 0.289 0.000 0.845 227 D CB 1.865 42.873 40.800 0.347 0.000 1.148 227 D HN 0.353 nan 8.370 nan 0.000 0.464 228 T N 3.203 117.885 114.554 0.213 0.000 2.807 228 T HA 0.470 4.811 4.350 -0.015 0.000 0.279 228 T C -2.531 171.989 174.700 -0.300 0.000 0.993 228 T CA -1.497 60.614 62.100 0.019 0.000 0.970 228 T CB 2.015 70.897 68.868 0.022 0.000 0.950 228 T HN 0.162 nan 8.240 nan 0.000 0.441 229 P HA 0.325 nan 4.420 nan 0.000 0.275 229 P C -1.002 175.955 177.300 -0.573 0.000 1.227 229 P CA -0.402 61.980 63.100 -1.196 0.000 0.781 229 P CB 0.832 31.589 31.700 -1.572 0.000 0.906 230 V N 5.375 125.024 119.914 -0.442 0.000 2.305 230 V HA 0.262 4.373 4.120 -0.015 0.000 0.275 230 V C -2.071 173.895 176.094 -0.213 0.000 1.020 230 V CA -1.892 60.250 62.300 -0.263 0.000 0.811 230 V CB 1.423 33.142 31.823 -0.174 0.000 1.031 230 V HN 0.546 nan 8.190 nan 0.000 0.439 231 P HA 0.255 nan 4.420 nan 0.000 0.281 231 P C 0.400 177.652 177.300 -0.080 0.000 1.252 231 P CA 0.332 63.348 63.100 -0.139 0.000 0.778 231 P CB 1.672 33.287 31.700 -0.142 0.000 0.895 232 G N 2.582 111.352 108.800 -0.050 0.000 2.634 232 G HA2 0.102 4.053 3.960 -0.015 0.000 0.255 232 G HA3 0.102 4.053 3.960 -0.015 0.000 0.255 232 G C -1.133 173.777 174.900 0.017 0.000 1.205 232 G CA -0.579 44.520 45.100 -0.003 0.000 0.884 232 G HN 0.531 nan 8.290 nan 0.000 0.549 233 Y N 0.371 120.635 120.300 -0.060 0.000 2.584 233 Y HA 0.282 4.823 4.550 -0.015 0.000 0.351 233 Y C 1.236 177.101 175.900 -0.059 0.000 1.030 233 Y CA -0.275 57.785 58.100 -0.067 0.000 1.332 233 Y CB 0.164 38.584 38.460 -0.068 0.000 1.148 233 Y HN 0.693 nan 8.280 nan 0.000 0.528 234 R N 2.994 123.135 120.500 -0.598 0.000 3.502 234 R HA -0.315 4.016 4.340 -0.015 0.000 0.266 234 R C -0.142 176.006 176.300 -0.255 0.000 1.077 234 R CA 1.508 57.303 56.100 -0.509 0.000 0.718 234 R CB -1.847 27.966 30.300 -0.811 0.000 1.120 234 R HN 0.950 nan 8.270 nan 0.000 0.457 235 N N -1.661 116.948 118.700 -0.152 0.000 2.170 235 N HA 0.087 4.818 4.740 -0.015 0.000 0.222 235 N C -0.242 175.222 175.510 -0.078 0.000 1.218 235 N CA -0.393 52.604 53.050 -0.089 0.000 0.889 235 N CB 0.577 39.038 38.487 -0.043 0.000 1.083 235 N HN 0.070 nan 8.380 nan 0.000 0.520 236 N N -0.275 118.374 118.700 -0.085 0.000 2.800 236 N HA -0.133 4.598 4.740 -0.015 0.000 0.250 236 N C -1.069 174.403 175.510 -0.064 0.000 1.078 236 N CA 0.597 53.606 53.050 -0.067 0.000 0.804 236 N CB -1.280 37.168 38.487 -0.065 0.000 1.135 236 N HN 0.219 nan 8.380 nan 0.000 0.565 237 V N 1.182 121.062 119.914 -0.057 0.000 2.394 237 V HA 0.439 4.550 4.120 -0.015 0.000 0.282 237 V C 0.431 176.501 176.094 -0.040 0.000 1.031 237 V CA -0.558 61.715 62.300 -0.044 0.000 0.881 237 V CB 2.126 33.946 31.823 -0.005 0.000 0.982 237 V HN -0.047 nan 8.190 nan 0.000 0.451 238 V N 5.852 125.748 119.914 -0.029 0.000 2.380 238 V HA 0.428 4.539 4.120 -0.015 0.000 0.286 238 V C 0.065 176.149 176.094 -0.016 0.000 1.015 238 V CA -0.833 61.423 62.300 -0.074 0.000 0.834 238 V CB 1.351 33.113 31.823 -0.102 0.000 1.009 238 V HN 0.828 nan 8.190 nan 0.000 0.428 239 N N 2.104 120.774 118.700 -0.051 0.000 2.366 239 N HA 0.510 5.241 4.740 -0.015 0.000 0.277 239 N C 0.032 175.539 175.510 -0.004 0.000 1.275 239 N CA -0.199 52.851 53.050 0.001 0.000 0.964 239 N CB 0.952 39.400 38.487 -0.064 0.000 1.167 239 N HN 0.566 nan 8.380 nan 0.000 0.568 240 T N 0.745 115.330 114.554 0.051 0.000 2.841 240 T HA 0.406 4.747 4.350 -0.015 0.000 0.283 240 T C -0.312 174.394 174.700 0.011 0.000 1.000 240 T CA -0.514 61.684 62.100 0.163 0.000 0.977 240 T CB 1.078 70.193 68.868 0.412 0.000 0.979 240 T HN 0.324 nan 8.240 nan 0.000 0.446 241 M N 3.826 123.385 119.600 -0.068 0.000 2.072 241 M HA 0.502 4.973 4.480 -0.015 0.000 0.331 241 M C -0.474 175.688 176.300 -0.230 0.000 1.004 241 M CA -0.733 54.434 55.300 -0.221 0.000 0.952 241 M CB 0.629 33.046 32.600 -0.305 0.000 1.511 241 M HN 0.453 nan 8.290 nan 0.000 0.422 242 R N 4.673 124.925 120.500 -0.414 0.000 2.229 242 R HA 0.507 4.838 4.340 -0.015 0.000 0.332 242 R C -1.828 174.183 176.300 -0.482 0.000 0.989 242 R CA -0.579 55.218 56.100 -0.505 0.000 0.842 242 R CB 0.775 30.568 30.300 -0.844 0.000 1.119 242 R HN 0.646 nan 8.270 nan 0.000 0.456 243 L N 5.500 126.554 121.223 -0.282 0.000 2.295 243 L HA 0.452 4.783 4.340 -0.015 0.000 0.285 243 L C -0.937 175.897 176.870 -0.061 0.000 1.035 243 L CA -0.434 54.341 54.840 -0.107 0.000 0.806 243 L CB 1.093 43.170 42.059 0.031 0.000 1.214 243 L HN 0.611 nan 8.230 nan 0.000 0.426 244 W N 2.246 123.675 121.300 0.215 0.000 2.438 244 W HA 0.616 5.267 4.660 -0.015 0.000 0.324 244 W C 0.396 177.153 176.519 0.397 0.000 1.119 244 W CA -0.368 57.138 57.345 0.267 0.000 1.221 244 W CB 1.545 31.044 29.460 0.064 0.000 1.253 244 W HN 0.384 nan 8.180 nan 0.000 0.555 245 S N 1.602 117.743 115.700 0.735 0.000 2.502 245 S HA 0.717 5.178 4.470 -0.015 0.000 0.304 245 S C -0.434 174.512 174.600 0.576 0.000 1.097 245 S CA -0.708 57.813 58.200 0.535 0.000 1.045 245 S CB 0.604 64.064 63.200 0.434 0.000 1.019 245 S HN 0.520 nan 8.310 nan 0.000 0.481 246 A N 4.838 127.831 122.820 0.290 0.000 2.409 246 A HA 0.583 4.894 4.320 -0.015 0.000 0.262 246 A C 0.057 177.736 177.584 0.157 0.000 1.113 246 A CA 0.003 52.112 52.037 0.120 0.000 0.790 246 A CB 0.289 19.108 19.000 -0.301 0.000 1.046 246 A HN 0.640 nan 8.150 nan 0.000 0.496 247 K N 0.953 121.467 120.400 0.189 0.000 2.464 247 K HA 0.620 4.931 4.320 -0.015 0.000 0.253 247 K C -0.710 175.961 176.600 0.117 0.000 0.933 247 K CA -0.461 55.913 56.287 0.145 0.000 0.801 247 K CB 2.340 34.940 32.500 0.166 0.000 1.271 247 K HN 0.828 nan 8.250 nan 0.000 0.430 248 A N 4.008 126.880 122.820 0.086 0.000 2.331 248 A HA 0.518 4.829 4.320 -0.015 0.000 0.283 248 A C -2.219 175.413 177.584 0.080 0.000 1.142 248 A CA -1.269 50.814 52.037 0.077 0.000 0.812 248 A CB -0.015 19.019 19.000 0.056 0.000 1.074 248 A HN 0.344 nan 8.150 nan 0.000 0.497 249 P HA 0.077 nan 4.420 nan 0.000 0.272 249 P C 0.017 177.362 177.300 0.076 0.000 1.223 249 P CA -0.345 62.805 63.100 0.084 0.000 0.784 249 P CB 0.686 32.448 31.700 0.103 0.000 0.923 250 N N 1.233 119.968 118.700 0.059 0.000 2.412 250 N HA -0.090 4.641 4.740 -0.015 0.000 0.184 250 N C 0.559 176.095 175.510 0.043 0.000 1.101 250 N CA 0.397 53.476 53.050 0.048 0.000 0.881 250 N CB -0.391 38.119 38.487 0.038 0.000 0.969 250 N HN 0.415 nan 8.380 nan 0.000 0.459 251 D N 0.792 121.217 120.400 0.041 0.000 2.125 251 D HA -0.101 4.530 4.640 -0.015 0.000 0.266 251 D C 1.602 177.917 176.300 0.025 0.000 1.124 251 D CA 0.050 54.044 54.000 -0.009 0.000 0.913 251 D CB -1.060 39.704 40.800 -0.060 0.000 0.964 251 D HN 0.069 nan 8.370 nan 0.000 0.370 252 F N 0.764 120.735 119.950 0.034 0.000 2.141 252 F HA -0.203 4.315 4.527 -0.015 0.000 0.300 252 F C 1.531 177.357 175.800 0.043 0.000 1.079 252 F CA 1.230 59.256 58.000 0.043 0.000 1.264 252 F CB -0.428 38.597 39.000 0.043 0.000 1.011 252 F HN 0.037 nan 8.300 nan 0.000 0.487 253 N N 0.777 119.612 118.700 0.225 0.000 3.115 253 N HA 0.062 4.793 4.740 -0.015 0.000 0.305 253 N C 0.580 176.144 175.510 0.091 0.000 1.305 253 N CA 0.138 53.268 53.050 0.133 0.000 1.154 253 N CB 0.026 38.570 38.487 0.094 0.000 1.454 253 N HN 0.140 nan 8.380 nan 0.000 0.551 254 L N -0.647 120.643 121.223 0.112 0.000 1.433 254 L HA -0.116 4.215 4.340 -0.015 0.000 0.146 254 L C 1.333 178.268 176.870 0.108 0.000 1.334 254 L CA 0.866 55.758 54.840 0.087 0.000 1.267 254 L CB -0.967 41.133 42.059 0.067 0.000 2.547 254 L HN 0.283 nan 8.230 nan 0.000 0.476 255 K N 0.312 120.754 120.400 0.069 0.000 2.366 255 K HA -0.034 4.277 4.320 -0.015 0.000 0.198 255 K C 0.507 177.157 176.600 0.085 0.000 1.044 255 K CA 1.053 57.333 56.287 -0.012 0.000 0.973 255 K CB -0.043 32.331 32.500 -0.210 0.000 0.767 255 K HN 0.153 nan 8.250 nan 0.000 0.475 256 D N 2.138 122.699 120.400 0.268 0.000 2.441 256 D HA -0.021 4.610 4.640 -0.015 0.000 0.243 256 D C -0.194 176.327 176.300 0.369 0.000 1.257 256 D CA -0.174 54.081 54.000 0.425 0.000 1.027 256 D CB -0.145 40.929 40.800 0.457 0.000 1.084 256 D HN 0.201 nan 8.370 nan 0.000 0.514 257 F N 1.383 121.378 119.950 0.075 0.000 2.331 257 F HA 0.303 4.821 4.527 -0.015 0.000 0.293 257 F C 0.583 176.414 175.800 0.051 0.000 1.277 257 F CA -1.864 56.169 58.000 0.054 0.000 1.204 257 F CB -0.315 38.704 39.000 0.032 0.000 1.374 257 F HN 0.352 nan 8.300 nan 0.000 0.520 258 N N -0.580 117.993 118.700 -0.211 0.000 3.506 258 N HA 0.057 4.788 4.740 -0.015 0.000 0.257 258 N C -1.694 173.751 175.510 -0.108 0.000 1.059 258 N CA 0.482 53.346 53.050 -0.310 0.000 0.672 258 N CB -0.932 37.229 38.487 -0.544 0.000 1.178 258 N HN 0.832 nan 8.380 nan 0.000 0.593 259 V N -1.592 118.310 119.914 -0.020 0.000 3.627 259 V HA -0.033 4.078 4.120 -0.015 0.000 0.518 259 V C 1.317 177.419 176.094 0.013 0.000 0.682 259 V CA 1.594 63.897 62.300 0.006 0.000 2.073 259 V CB -0.868 30.947 31.823 -0.012 0.000 2.489 259 V HN 0.984 nan 8.190 nan 0.000 0.513 260 G N 1.039 109.856 108.800 0.028 0.000 3.758 260 G HA2 0.671 4.622 3.960 -0.015 0.000 0.206 260 G HA3 0.671 4.622 3.960 -0.015 0.000 0.206 260 G C 0.900 175.820 174.900 0.033 0.000 0.946 260 G CA 1.222 46.336 45.100 0.025 0.000 0.885 260 G HN 3.002 nan 8.290 nan 0.000 0.392 261 G N -1.015 107.819 108.800 0.057 0.000 3.014 261 G HA2 0.258 4.209 3.960 -0.015 0.000 0.683 261 G HA3 0.258 4.209 3.960 -0.015 0.000 0.683 261 G C -0.072 174.884 174.900 0.094 0.000 1.271 261 G CA 0.195 45.340 45.100 0.074 0.000 0.843 261 G HN 1.405 nan 8.290 nan 0.000 0.612 262 Y N 3.274 123.590 120.300 0.027 0.000 2.163 262 Y HA -0.008 4.533 4.550 -0.015 0.000 0.288 262 Y C 2.522 178.437 175.900 0.025 0.000 1.136 262 Y CA 2.195 60.312 58.100 0.029 0.000 1.147 262 Y CB -0.008 38.467 38.460 0.025 0.000 0.987 262 Y HN 0.487 nan 8.280 nan 0.000 0.509 263 I N 0.605 121.104 120.570 -0.118 0.000 2.163 263 I HA -0.296 3.865 4.170 -0.015 0.000 0.243 263 I C 2.392 178.409 176.117 -0.167 0.000 1.085 263 I CA 1.454 62.643 61.300 -0.186 0.000 1.347 263 I CB -1.449 36.549 38.000 -0.002 0.000 1.044 263 I HN 0.354 nan 8.210 nan 0.000 0.408 264 Q N 0.621 120.372 119.800 -0.080 0.000 2.135 264 Q HA -0.131 4.200 4.340 -0.015 0.000 0.204 264 Q C 2.343 178.299 176.000 -0.072 0.000 0.981 264 Q CA 1.935 57.705 55.803 -0.055 0.000 0.856 264 Q CB -0.332 28.394 28.738 -0.019 0.000 0.902 264 Q HN 0.550 nan 8.270 nan 0.000 0.425 265 A N -0.370 122.393 122.820 -0.095 0.000 1.902 265 A HA -0.120 4.191 4.320 -0.015 0.000 0.217 265 A C 2.363 179.877 177.584 -0.117 0.000 1.181 265 A CA 1.581 53.570 52.037 -0.080 0.000 0.623 265 A CB -0.561 18.404 19.000 -0.059 0.000 0.818 265 A HN 0.233 nan 8.150 nan 0.000 0.443 266 V N 0.128 119.905 119.914 -0.227 0.000 2.453 266 V HA -0.178 3.933 4.120 -0.015 0.000 0.247 266 V C 2.434 178.465 176.094 -0.105 0.000 1.048 266 V CA 1.584 63.768 62.300 -0.194 0.000 1.049 266 V CB -0.613 31.022 31.823 -0.313 0.000 0.672 266 V HN 0.554 nan 8.190 nan 0.000 0.457 267 L N -0.368 120.798 121.223 -0.095 0.000 2.217 267 L HA -0.094 4.237 4.340 -0.015 0.000 0.211 267 L C 1.854 178.706 176.870 -0.031 0.000 1.107 267 L CA 1.068 55.877 54.840 -0.051 0.000 0.783 267 L CB -0.552 41.481 42.059 -0.043 0.000 0.919 267 L HN 0.321 nan 8.230 nan 0.000 0.442 268 D N -0.013 120.367 120.400 -0.033 0.000 2.363 268 D HA -0.049 4.582 4.640 -0.015 0.000 0.226 268 D C 2.106 178.402 176.300 -0.008 0.000 1.020 268 D CA 0.384 54.373 54.000 -0.017 0.000 0.892 268 D CB 0.089 40.880 40.800 -0.014 0.000 0.900 268 D HN 0.194 nan 8.370 nan 0.000 0.531 269 R N 0.418 120.913 120.500 -0.009 0.000 2.152 269 R HA 0.009 4.340 4.340 -0.015 0.000 0.232 269 R C 0.372 176.678 176.300 0.010 0.000 1.117 269 R CA 0.546 56.650 56.100 0.006 0.000 0.981 269 R CB -0.051 30.253 30.300 0.007 0.000 0.870 269 R HN 0.069 nan 8.270 nan 0.000 0.451 270 N N 1.078 119.782 118.700 0.007 0.000 3.178 270 N HA 0.014 4.745 4.740 -0.015 0.000 0.300 270 N C 0.022 175.535 175.510 0.006 0.000 1.242 270 N CA 0.465 53.523 53.050 0.013 0.000 1.192 270 N CB 1.095 39.593 38.487 0.017 0.000 1.463 270 N HN 0.108 nan 8.380 nan 0.000 0.539 271 L N -0.487 120.735 121.223 -0.001 0.000 3.188 271 L HA 0.213 4.544 4.340 -0.015 0.000 0.327 271 L C 1.606 178.459 176.870 -0.029 0.000 1.009 271 L CA 0.456 55.289 54.840 -0.010 0.000 1.373 271 L CB -0.169 41.885 42.059 -0.008 0.000 2.331 271 L HN 0.246 nan 8.230 nan 0.000 0.594 272 A N -0.764 122.042 122.820 -0.024 0.000 2.044 272 A HA 0.107 4.418 4.320 -0.015 0.000 0.213 272 A C 1.672 179.217 177.584 -0.064 0.000 1.169 272 A CA 0.765 52.774 52.037 -0.047 0.000 0.724 272 A CB -0.098 18.903 19.000 0.001 0.000 0.840 272 A HN 0.390 nan 8.150 nan 0.000 0.463 273 E N 0.307 120.493 120.200 -0.024 0.000 2.502 273 E HA -0.022 4.319 4.350 -0.015 0.000 0.194 273 E C 0.827 177.418 176.600 -0.015 0.000 1.062 273 E CA -0.084 56.307 56.400 -0.015 0.000 0.867 273 E CB -0.020 29.697 29.700 0.028 0.000 0.888 273 E HN 0.396 nan 8.360 nan 0.000 0.510 274 N N 0.902 119.591 118.700 -0.019 0.000 2.396 274 N HA -0.044 4.687 4.740 -0.015 0.000 0.180 274 N C 1.566 177.075 175.510 -0.002 0.000 1.028 274 N CA 0.522 53.579 53.050 0.011 0.000 0.893 274 N CB 0.056 38.548 38.487 0.009 0.000 0.967 274 N HN 0.231 nan 8.380 nan 0.000 0.440 275 I N 0.380 120.890 120.570 -0.101 0.000 2.194 275 I HA -0.262 3.899 4.170 -0.015 0.000 0.246 275 I C 1.292 177.358 176.117 -0.086 0.000 1.093 275 I CA 1.308 62.510 61.300 -0.164 0.000 1.355 275 I CB -0.136 37.599 38.000 -0.443 0.000 1.046 275 I HN 0.134 nan 8.210 nan 0.000 0.413 276 S N -0.610 115.037 115.700 -0.088 0.000 2.561 276 S HA 0.203 4.664 4.470 -0.015 0.000 0.245 276 S C 1.378 176.104 174.600 0.211 0.000 1.001 276 S CA -0.614 57.617 58.200 0.051 0.000 1.002 276 S CB 0.249 63.461 63.200 0.019 0.000 0.805 276 S HN 0.240 nan 8.310 nan 0.000 0.458 277 R N 0.934 121.568 120.500 0.222 0.000 2.075 277 R HA 0.285 4.617 4.340 -0.015 0.000 0.226 277 R C 0.413 176.973 176.300 0.432 0.000 1.114 277 R CA 1.114 57.394 56.100 0.300 0.000 0.972 277 R CB -0.056 30.385 30.300 0.235 0.000 0.869 277 R HN 0.398 nan 8.270 nan 0.000 0.437 278 V N 0.311 120.434 119.914 0.349 0.000 2.971 278 V HA 0.376 4.487 4.120 -0.015 0.000 0.309 278 V C -1.531 174.529 176.094 -0.056 0.000 1.130 278 V CA -1.325 61.101 62.300 0.210 0.000 0.964 278 V CB 1.831 33.694 31.823 0.066 0.000 1.029 278 V HN 0.170 nan 8.190 nan 0.000 0.427 279 L N 5.799 126.744 121.223 -0.463 0.000 2.371 279 L HA 0.528 4.859 4.340 -0.015 0.000 0.272 279 L C -0.981 175.708 176.870 -0.302 0.000 1.124 279 L CA 0.305 54.657 54.840 -0.812 0.000 0.816 279 L CB 0.860 42.339 42.059 -0.966 0.000 1.129 279 L HN 0.693 nan 8.230 nan 0.000 0.448 280 Y N 5.861 126.068 120.300 -0.156 0.000 2.436 280 Y HA 0.250 4.791 4.550 -0.015 0.000 0.336 280 Y C -1.451 174.436 175.900 -0.022 0.000 1.049 280 Y CA -1.449 56.635 58.100 -0.026 0.000 1.294 280 Y CB 0.500 38.972 38.460 0.021 0.000 1.179 280 Y HN 0.552 nan 8.280 nan 0.000 0.520 281 P HA 0.001 nan 4.420 nan 0.000 0.258 281 P C -0.889 176.529 177.300 0.196 0.000 1.559 281 P CA 0.214 63.405 63.100 0.152 0.000 0.855 281 P CB 0.005 31.889 31.700 0.307 0.000 1.594 282 N N 1.155 119.982 118.700 0.212 0.000 2.438 282 N HA 0.153 4.884 4.740 -0.015 0.000 0.282 282 N C -0.499 175.153 175.510 0.237 0.000 1.037 282 N CA 0.110 53.309 53.050 0.248 0.000 0.942 282 N CB 1.303 39.979 38.487 0.315 0.000 1.136 282 N HN 0.095 nan 8.380 nan 0.000 0.481 283 D N 1.392 121.967 120.400 0.291 0.000 2.425 283 D HA 0.178 4.809 4.640 -0.015 0.000 0.240 283 D C -0.507 176.083 176.300 0.483 0.000 1.080 283 D CA -0.262 53.939 54.000 0.336 0.000 0.836 283 D CB 0.311 41.317 40.800 0.344 0.000 1.125 283 D HN 0.561 nan 8.370 nan 0.000 0.525 284 N N 2.665 121.568 118.700 0.338 0.000 2.738 284 N HA -0.254 4.477 4.740 -0.015 0.000 0.249 284 N C -1.413 174.330 175.510 0.388 0.000 1.047 284 N CA 0.354 53.571 53.050 0.279 0.000 0.707 284 N CB -0.778 37.797 38.487 0.147 0.000 0.937 284 N HN 0.316 nan 8.380 nan 0.000 0.545 285 F N 0.698 120.752 119.950 0.174 0.000 2.635 285 F HA 0.459 4.977 4.527 -0.015 0.000 0.314 285 F C -1.581 174.302 175.800 0.138 0.000 1.119 285 F CA -1.092 56.984 58.000 0.126 0.000 1.000 285 F CB 1.046 40.089 39.000 0.071 0.000 1.278 285 F HN -0.043 nan 8.300 nan 0.000 0.446 286 F N 5.591 125.031 119.950 -0.850 0.000 2.427 286 F HA 0.521 5.039 4.527 -0.015 0.000 0.346 286 F C -0.587 174.817 175.800 -0.661 0.000 1.120 286 F CA -0.156 57.483 58.000 -0.602 0.000 1.033 286 F CB 0.855 39.545 39.000 -0.518 0.000 1.126 286 F HN 0.492 nan 8.300 nan 0.000 0.462 287 E N 3.877 123.432 120.200 -1.074 0.000 2.155 287 E HA 0.269 4.610 4.350 -0.015 0.000 0.264 287 E C -0.260 175.598 176.600 -1.237 0.000 0.886 287 E CA -0.737 55.150 56.400 -0.854 0.000 0.752 287 E CB 1.649 31.221 29.700 -0.214 0.000 1.133 287 E HN 0.924 nan 8.360 nan 0.000 0.414 288 G N 4.646 112.730 108.800 -1.194 0.000 3.343 288 G HA2 0.055 4.006 3.960 -0.015 0.000 0.264 288 G HA3 0.055 4.006 3.960 -0.015 0.000 0.264 288 G C 0.033 174.941 174.900 0.012 0.000 0.884 288 G CA -0.257 44.391 45.100 -0.752 0.000 1.916 288 G HN 0.137 nan 8.290 nan 0.000 0.618 289 K N 0.400 120.852 120.400 0.087 0.000 2.098 289 K HA 0.227 4.538 4.320 -0.015 0.000 0.258 289 K C 0.937 177.674 176.600 0.228 0.000 0.973 289 K CA -0.811 55.577 56.287 0.168 0.000 0.898 289 K CB 2.249 34.849 32.500 0.167 0.000 1.057 289 K HN 0.413 nan 8.250 nan 0.000 0.447 290 E N 1.222 121.514 120.200 0.153 0.000 2.077 290 E HA -0.207 4.134 4.350 -0.015 0.000 0.193 290 E C 1.527 178.147 176.600 0.034 0.000 0.989 290 E CA 0.935 57.371 56.400 0.059 0.000 0.800 290 E CB 0.147 29.889 29.700 0.070 0.000 0.746 290 E HN 0.394 nan 8.360 nan 0.000 0.452 291 L N 1.492 122.785 121.223 0.116 0.000 2.013 291 L HA -0.214 4.117 4.340 -0.015 0.000 0.212 291 L C 2.447 179.417 176.870 0.167 0.000 1.073 291 L CA 1.737 56.669 54.840 0.154 0.000 0.753 291 L CB -0.678 41.550 42.059 0.283 0.000 0.890 291 L HN 0.054 nan 8.230 nan 0.000 0.432 292 R N -0.398 120.160 120.500 0.097 0.000 2.080 292 R HA -0.180 4.151 4.340 -0.015 0.000 0.236 292 R C 2.279 178.617 176.300 0.063 0.000 1.137 292 R CA 2.027 58.088 56.100 -0.066 0.000 0.943 292 R CB -1.414 28.646 30.300 -0.400 0.000 0.846 292 R HN 0.436 nan 8.270 nan 0.000 0.431 293 L N 1.577 122.752 121.223 -0.080 0.000 2.043 293 L HA -0.172 4.159 4.340 -0.015 0.000 0.212 293 L C 2.035 178.851 176.870 -0.090 0.000 1.075 293 L CA 1.971 56.575 54.840 -0.393 0.000 0.752 293 L CB -0.472 41.029 42.059 -0.930 0.000 0.891 293 L HN 0.096 nan 8.230 nan 0.000 0.432 294 K N -1.147 119.244 120.400 -0.014 0.000 2.147 294 K HA -0.179 4.132 4.320 -0.015 0.000 0.205 294 K C 2.101 178.843 176.600 0.236 0.000 1.049 294 K CA 1.643 57.990 56.287 0.101 0.000 0.936 294 K CB -0.086 32.336 32.500 -0.131 0.000 0.722 294 K HN 0.540 nan 8.250 nan 0.000 0.446 295 Q N 0.182 120.097 119.800 0.193 0.000 2.119 295 Q HA -0.159 4.172 4.340 -0.015 0.000 0.201 295 Q C 1.821 178.007 176.000 0.309 0.000 0.972 295 Q CA 1.206 57.172 55.803 0.271 0.000 0.847 295 Q CB 0.065 28.989 28.738 0.309 0.000 0.903 295 Q HN 0.364 nan 8.270 nan 0.000 0.433 296 E N -0.163 120.177 120.200 0.234 0.000 2.110 296 E HA -0.201 4.140 4.350 -0.015 0.000 0.193 296 E C 1.612 178.316 176.600 0.172 0.000 0.988 296 E CA 0.948 57.470 56.400 0.203 0.000 0.804 296 E CB -0.031 29.773 29.700 0.174 0.000 0.745 296 E HN 0.312 nan 8.360 nan 0.000 0.458 297 Y N -0.102 120.243 120.300 0.075 0.000 2.337 297 Y HA -0.128 4.414 4.550 -0.015 0.000 0.293 297 Y C 1.818 177.746 175.900 0.046 0.000 1.123 297 Y CA 0.667 58.759 58.100 -0.013 0.000 1.201 297 Y CB -0.211 38.187 38.460 -0.104 0.000 1.011 297 Y HN 0.013 nan 8.280 nan 0.000 0.545 298 F N -0.255 119.676 119.950 -0.032 0.000 2.069 298 F HA -0.236 4.282 4.527 -0.015 0.000 0.298 298 F C 2.419 178.053 175.800 -0.278 0.000 1.113 298 F CA 2.075 60.022 58.000 -0.088 0.000 1.214 298 F CB -1.053 38.033 39.000 0.144 0.000 0.978 298 F HN -0.085 nan 8.300 nan 0.000 0.474 299 V N -0.466 119.372 119.914 -0.126 0.000 2.515 299 V HA -0.184 3.927 4.120 -0.015 0.000 0.250 299 V C 2.141 178.060 176.094 -0.292 0.000 1.058 299 V CA 1.759 63.944 62.300 -0.192 0.000 1.064 299 V CB -0.303 31.629 31.823 0.181 0.000 0.675 299 V HN 0.284 nan 8.190 nan 0.000 0.461 300 V N 0.282 120.028 119.914 -0.280 0.000 2.283 300 V HA -0.140 3.971 4.120 -0.015 0.000 0.243 300 V C 2.791 178.607 176.094 -0.463 0.000 1.039 300 V CA 2.029 64.153 62.300 -0.292 0.000 1.016 300 V CB -1.051 30.651 31.823 -0.202 0.000 0.650 300 V HN 0.618 nan 8.190 nan 0.000 0.449 301 A N -0.039 122.334 122.820 -0.745 0.000 1.883 301 A HA -0.185 4.126 4.320 -0.015 0.000 0.217 301 A C 2.398 179.617 177.584 -0.608 0.000 1.186 301 A CA 2.432 54.038 52.037 -0.719 0.000 0.624 301 A CB -0.898 17.460 19.000 -1.070 0.000 0.822 301 A HN 0.586 nan 8.150 nan 0.000 0.444 302 A N -1.174 121.128 122.820 -0.863 0.000 1.858 302 A HA -0.077 4.234 4.320 -0.015 0.000 0.216 302 A C 2.326 179.457 177.584 -0.755 0.000 1.190 302 A CA 2.328 53.699 52.037 -1.111 0.000 0.617 302 A CB -1.408 16.274 19.000 -2.197 0.000 0.827 302 A HN 0.432 nan 8.150 nan 0.000 0.443 303 T N 0.544 114.753 114.554 -0.574 0.000 2.684 303 T HA -0.149 4.192 4.350 -0.015 0.000 0.267 303 T C 1.823 176.260 174.700 -0.440 0.000 1.036 303 T CA 1.589 63.481 62.100 -0.346 0.000 1.148 303 T CB -0.434 68.204 68.868 -0.385 0.000 0.863 303 T HN 0.336 nan 8.240 nan 0.000 0.436 304 L N 0.598 121.599 121.223 -0.369 0.000 2.046 304 L HA -0.170 4.161 4.340 -0.015 0.000 0.208 304 L C 2.940 179.690 176.870 -0.201 0.000 1.077 304 L CA 1.423 56.093 54.840 -0.283 0.000 0.747 304 L CB -0.496 41.434 42.059 -0.214 0.000 0.896 304 L HN 0.351 nan 8.230 nan 0.000 0.432 305 Q N -0.608 119.082 119.800 -0.184 0.000 2.124 305 Q HA -0.258 4.073 4.340 -0.015 0.000 0.202 305 Q C 1.762 177.736 176.000 -0.044 0.000 0.977 305 Q CA 1.764 57.511 55.803 -0.093 0.000 0.850 305 Q CB -0.117 28.562 28.738 -0.098 0.000 0.901 305 Q HN 0.410 nan 8.270 nan 0.000 0.429 306 D N 0.333 120.703 120.400 -0.050 0.000 2.144 306 D HA -0.087 4.544 4.640 -0.015 0.000 0.200 306 D C 1.616 177.861 176.300 -0.092 0.000 0.978 306 D CA 0.806 54.815 54.000 0.014 0.000 0.833 306 D CB 0.035 40.943 40.800 0.181 0.000 0.961 306 D HN 0.170 nan 8.370 nan 0.000 0.470 307 I N -0.009 120.401 120.570 -0.265 0.000 2.202 307 I HA -0.201 3.960 4.170 -0.015 0.000 0.242 307 I C 2.242 178.371 176.117 0.020 0.000 1.091 307 I CA 0.668 61.767 61.300 -0.336 0.000 1.368 307 I CB -0.068 37.556 38.000 -0.626 0.000 1.058 307 I HN 0.005 nan 8.210 nan 0.000 0.410 308 I N 0.356 120.986 120.570 0.100 0.000 2.286 308 I HA -0.298 3.863 4.170 -0.015 0.000 0.248 308 I C 2.765 179.033 176.117 0.252 0.000 1.115 308 I CA 1.148 62.618 61.300 0.283 0.000 1.392 308 I CB -0.378 37.740 38.000 0.196 0.000 1.065 308 I HN 0.212 nan 8.210 nan 0.000 0.418 309 R N 1.189 121.769 120.500 0.134 0.000 2.070 309 R HA -0.204 4.127 4.340 -0.015 0.000 0.233 309 R C 2.470 178.834 176.300 0.107 0.000 1.137 309 R CA 1.613 57.777 56.100 0.106 0.000 0.945 309 R CB -0.275 30.067 30.300 0.070 0.000 0.845 309 R HN 0.195 nan 8.270 nan 0.000 0.430 310 R N -0.604 119.960 120.500 0.107 0.000 2.091 310 R HA -0.186 4.145 4.340 -0.015 0.000 0.238 310 R C 2.197 178.591 176.300 0.155 0.000 1.136 310 R CA 1.935 58.109 56.100 0.124 0.000 0.959 310 R CB -0.399 29.975 30.300 0.124 0.000 0.856 310 R HN 0.284 nan 8.270 nan 0.000 0.437 311 F N 1.607 121.577 119.950 0.033 0.000 2.146 311 F HA -0.127 4.391 4.527 -0.015 0.000 0.298 311 F C 1.726 177.470 175.800 -0.092 0.000 1.096 311 F CA 1.464 59.438 58.000 -0.044 0.000 1.275 311 F CB -0.031 38.975 39.000 0.010 0.000 1.008 311 F HN -0.162 nan 8.300 nan 0.000 0.480 312 K N -0.046 120.276 120.400 -0.131 0.000 2.211 312 K HA -0.110 4.201 4.320 -0.015 0.000 0.204 312 K C 2.127 178.628 176.600 -0.165 0.000 1.047 312 K CA 1.361 57.511 56.287 -0.228 0.000 0.935 312 K CB -0.230 32.264 32.500 -0.010 0.000 0.728 312 K HN 0.289 nan 8.250 nan 0.000 0.452 313 S N 0.208 115.871 115.700 -0.061 0.000 2.324 313 S HA -0.041 4.420 4.470 -0.015 0.000 0.210 313 S C 1.333 175.941 174.600 0.013 0.000 1.027 313 S CA 0.270 58.486 58.200 0.027 0.000 0.945 313 S CB -0.080 63.197 63.200 0.130 0.000 0.908 313 S HN 0.259 nan 8.310 nan 0.000 0.496 314 S N 0.797 116.514 115.700 0.028 0.000 4.134 314 S HA -0.299 4.162 4.470 -0.015 0.000 0.538 314 S C 1.016 175.619 174.600 0.005 0.000 1.224 314 S CA 2.144 60.370 58.200 0.043 0.000 3.613 314 S CB -0.630 62.621 63.200 0.085 0.000 2.065 314 S HN 0.479 nan 8.310 nan 0.000 0.493 315 K N -0.519 119.934 120.400 0.088 0.000 2.483 315 K HA 0.468 4.779 4.320 -0.015 0.000 0.206 315 K C 1.005 177.490 176.600 -0.192 0.000 1.086 315 K CA 0.033 56.261 56.287 -0.099 0.000 1.052 315 K CB 0.204 32.595 32.500 -0.180 0.000 0.904 315 K HN 0.413 nan 8.250 nan 0.000 0.557 316 F N -1.139 118.672 119.950 -0.233 0.000 2.446 316 F HA 0.195 4.713 4.527 -0.015 0.000 0.292 316 F C 1.780 177.460 175.800 -0.201 0.000 1.096 316 F CA -0.004 57.844 58.000 -0.253 0.000 1.438 316 F CB 0.437 39.166 39.000 -0.452 0.000 1.107 316 F HN 0.030 nan 8.300 nan 0.000 0.546 317 G N -1.336 107.476 108.800 0.021 0.000 3.452 317 G HA2 0.211 4.162 3.960 -0.015 0.000 0.258 317 G HA3 0.211 4.162 3.960 -0.015 0.000 0.258 317 G C 0.170 175.070 174.900 -0.000 0.000 1.305 317 G CA 0.262 45.361 45.100 -0.003 0.000 1.514 317 G HN 0.422 nan 8.290 nan 0.000 0.593 318 C N -1.429 117.856 119.300 -0.025 0.000 3.692 318 C HA 0.352 4.803 4.460 -0.015 0.000 0.448 318 C C 1.305 176.263 174.990 -0.052 0.000 1.278 318 C CA 0.736 59.733 59.018 -0.035 0.000 2.229 318 C CB 0.515 28.223 27.740 -0.054 0.000 2.815 318 C HN 0.590 nan 8.230 nan 0.000 0.440 319 R N 1.035 121.480 120.500 -0.091 0.000 3.039 319 R HA 0.363 4.694 4.340 -0.015 0.000 0.092 319 R C -0.374 175.829 176.300 -0.162 0.000 0.608 319 R CA 0.978 57.018 56.100 -0.101 0.000 0.426 319 R CB -1.003 29.241 30.300 -0.092 0.000 0.385 319 R HN 0.271 nan 8.270 nan 0.000 0.326 320 D N -0.272 119.997 120.400 -0.217 0.000 3.455 320 D HA -0.137 4.494 4.640 -0.015 0.000 0.216 320 D C -1.616 174.586 176.300 -0.164 0.000 1.510 320 D CA 1.495 55.315 54.000 -0.301 0.000 1.128 320 D CB -1.305 39.110 40.800 -0.642 0.000 0.680 320 D HN 0.415 nan 8.370 nan 0.000 0.828 321 P HA 0.056 nan 4.420 nan 0.000 0.225 321 P C 0.361 177.648 177.300 -0.020 0.000 1.148 321 P CA 0.854 63.927 63.100 -0.044 0.000 0.779 321 P CB 0.257 31.959 31.700 0.004 0.000 0.780 322 V N -0.506 119.395 119.914 -0.021 0.000 3.559 322 V HA -0.211 3.900 4.120 -0.015 0.000 0.476 322 V C -0.277 175.834 176.094 0.027 0.000 0.682 322 V CA 1.162 63.462 62.300 -0.001 0.000 1.988 322 V CB -1.249 30.568 31.823 -0.011 0.000 2.423 322 V HN 0.576 nan 8.190 nan 0.000 0.500 323 R N 2.860 123.387 120.500 0.045 0.000 7.363 323 R HA 0.021 4.352 4.340 -0.015 0.000 0.261 323 R C 0.027 176.375 176.300 0.079 0.000 0.794 323 R CA 0.495 56.632 56.100 0.061 0.000 1.826 323 R CB -0.226 30.113 30.300 0.065 0.000 1.258 323 R HN 0.810 nan 8.270 nan 0.000 0.877 324 T N 2.821 117.416 114.554 0.068 0.000 3.354 324 T HA -0.047 4.294 4.350 -0.015 0.000 0.222 324 T C 0.249 174.994 174.700 0.074 0.000 0.997 324 T CA 0.392 62.504 62.100 0.021 0.000 1.742 324 T CB -0.829 68.078 68.868 0.065 0.000 1.109 324 T HN 0.353 nan 8.240 nan 0.000 0.657 325 N N 1.260 120.019 118.700 0.098 0.000 2.420 325 N HA 0.287 5.018 4.740 -0.015 0.000 0.249 325 N C 0.161 175.763 175.510 0.153 0.000 1.033 325 N CA -0.516 52.638 53.050 0.174 0.000 0.944 325 N CB 0.419 39.020 38.487 0.189 0.000 1.113 325 N HN 0.388 nan 8.380 nan 0.000 0.502 326 F N 0.657 120.697 119.950 0.150 0.000 2.769 326 F HA 0.034 4.552 4.527 -0.015 0.000 0.304 326 F C 1.545 177.388 175.800 0.071 0.000 1.158 326 F CA 0.155 58.203 58.000 0.079 0.000 1.398 326 F CB 0.178 39.105 39.000 -0.123 0.000 1.094 326 F HN 0.566 nan 8.300 nan 0.000 0.553 327 D N 0.248 120.788 120.400 0.234 0.000 2.219 327 D HA -0.116 4.515 4.640 -0.015 0.000 0.205 327 D C 2.074 178.480 176.300 0.176 0.000 0.970 327 D CA 1.107 55.213 54.000 0.177 0.000 0.851 327 D CB 0.162 41.056 40.800 0.156 0.000 0.943 327 D HN 0.329 nan 8.370 nan 0.000 0.488 328 A N -0.193 122.769 122.820 0.237 0.000 2.308 328 A HA 0.088 4.399 4.320 -0.015 0.000 0.217 328 A C 1.536 179.173 177.584 0.087 0.000 1.216 328 A CA -0.402 51.785 52.037 0.251 0.000 0.864 328 A CB -0.548 18.772 19.000 0.533 0.000 0.902 328 A HN 0.119 nan 8.150 nan 0.000 0.499 329 F N 2.039 121.826 119.950 -0.271 0.000 2.043 329 F HA -0.126 4.392 4.527 -0.015 0.000 0.297 329 F C -0.760 174.858 175.800 -0.304 0.000 1.121 329 F CA 2.497 60.104 58.000 -0.655 0.000 1.199 329 F CB -0.435 38.263 39.000 -0.503 0.000 0.968 329 F HN 0.202 nan 8.300 nan 0.000 0.478 330 P HA -0.090 nan 4.420 nan 0.000 0.228 330 P C 0.561 177.801 177.300 -0.100 0.000 1.151 330 P CA 1.371 64.408 63.100 -0.105 0.000 0.770 330 P CB -0.070 31.615 31.700 -0.025 0.000 0.786 331 D N -1.042 119.324 120.400 -0.055 0.000 2.333 331 D HA -0.011 4.620 4.640 -0.015 0.000 0.208 331 D C 1.619 177.915 176.300 -0.007 0.000 0.984 331 D CA 0.818 54.820 54.000 0.004 0.000 0.873 331 D CB 0.152 40.999 40.800 0.078 0.000 0.935 331 D HN 0.075 nan 8.370 nan 0.000 0.521 332 K N -0.191 120.158 120.400 -0.084 0.000 2.399 332 K HA 0.213 4.524 4.320 -0.015 0.000 0.196 332 K C 0.137 176.622 176.600 -0.191 0.000 1.103 332 K CA 0.134 56.381 56.287 -0.066 0.000 0.986 332 K CB 1.918 34.462 32.500 0.073 0.000 0.952 332 K HN -0.052 nan 8.250 nan 0.000 0.541 333 V N 0.720 120.402 119.914 -0.387 0.000 2.823 333 V HA 0.742 4.853 4.120 -0.015 0.000 0.312 333 V C -1.109 174.860 176.094 -0.208 0.000 1.072 333 V CA -1.218 60.859 62.300 -0.372 0.000 0.937 333 V CB 1.922 33.217 31.823 -0.881 0.000 1.013 333 V HN 0.127 nan 8.190 nan 0.000 0.430 334 A N 4.549 127.325 122.820 -0.074 0.000 2.429 334 A HA 0.855 5.166 4.320 -0.015 0.000 0.289 334 A C -1.229 176.377 177.584 0.036 0.000 1.043 334 A CA -0.376 51.657 52.037 -0.006 0.000 0.722 334 A CB 1.285 20.257 19.000 -0.047 0.000 1.243 334 A HN 1.273 nan 8.150 nan 0.000 0.415 335 I N 0.493 121.131 120.570 0.113 0.000 2.465 335 I HA 0.772 4.933 4.170 -0.015 0.000 0.291 335 I C -0.653 175.564 176.117 0.167 0.000 1.014 335 I CA -0.444 60.939 61.300 0.138 0.000 1.093 335 I CB 1.992 40.050 38.000 0.096 0.000 1.267 335 I HN 0.537 nan 8.210 nan 0.000 0.431 336 Q N 5.636 125.544 119.800 0.181 0.000 2.290 336 Q HA 0.553 4.884 4.340 -0.015 0.000 0.259 336 Q C -1.731 174.303 176.000 0.056 0.000 0.941 336 Q CA -0.470 55.480 55.803 0.246 0.000 0.912 336 Q CB 1.571 30.585 28.738 0.460 0.000 1.244 336 Q HN 0.764 nan 8.270 nan 0.000 0.441 337 L N 4.246 125.528 121.223 0.099 0.000 2.255 337 L HA 0.351 4.682 4.340 -0.015 0.000 0.289 337 L C -0.357 176.557 176.870 0.073 0.000 1.046 337 L CA -0.237 54.638 54.840 0.058 0.000 0.816 337 L CB 0.666 42.789 42.059 0.107 0.000 1.197 337 L HN 0.618 nan 8.230 nan 0.000 0.427 338 N N 4.006 122.655 118.700 -0.085 0.000 2.508 338 N HA 0.127 4.858 4.740 -0.015 0.000 0.253 338 N C -0.134 175.398 175.510 0.037 0.000 1.145 338 N CA 0.499 53.545 53.050 -0.007 0.000 0.973 338 N CB -0.180 38.177 38.487 -0.216 0.000 1.305 338 N HN 0.549 nan 8.380 nan 0.000 0.506 339 D N -0.428 120.117 120.400 0.240 0.000 4.808 339 D HA -0.222 4.409 4.640 -0.015 0.000 0.304 339 D C 0.457 176.799 176.300 0.071 0.000 2.360 339 D CA 1.493 55.606 54.000 0.189 0.000 1.222 339 D CB -0.534 40.103 40.800 -0.272 0.000 1.085 339 D HN 0.477 nan 8.370 nan 0.000 1.266 340 T N -2.381 112.124 114.554 -0.081 0.000 3.129 340 T HA 0.081 4.422 4.350 -0.015 0.000 0.251 340 T C 1.656 176.361 174.700 0.008 0.000 1.117 340 T CA 1.627 63.654 62.100 -0.122 0.000 1.034 340 T CB -0.517 68.266 68.868 -0.141 0.000 0.968 340 T HN 0.516 nan 8.240 nan 0.000 0.526 341 H N 2.586 121.713 119.070 0.094 0.000 2.353 341 H HA -0.005 4.542 4.556 -0.015 0.000 0.298 341 H C -0.837 174.559 175.328 0.113 0.000 1.103 341 H CA 1.126 57.251 56.048 0.128 0.000 1.293 341 H CB -0.797 29.045 29.762 0.133 0.000 1.372 341 H HN 0.451 nan 8.280 nan 0.000 0.501 342 P HA 0.076 nan 4.420 nan 0.000 0.259 342 P C 0.894 178.218 177.300 0.040 0.000 1.530 342 P CA 0.380 63.540 63.100 0.100 0.000 1.022 342 P CB 0.415 32.162 31.700 0.078 0.000 1.514 343 S N 0.179 115.893 115.700 0.025 0.000 2.400 343 S HA -0.164 4.297 4.470 -0.015 0.000 0.232 343 S C 1.776 176.369 174.600 -0.012 0.000 1.025 343 S CA 0.937 59.113 58.200 -0.039 0.000 0.993 343 S CB -1.586 61.568 63.200 -0.076 0.000 0.808 343 S HN 0.145 nan 8.310 nan 0.000 0.478 344 L N 1.097 122.335 121.223 0.024 0.000 2.450 344 L HA -0.008 4.323 4.340 -0.015 0.000 0.224 344 L C 2.961 179.868 176.870 0.062 0.000 1.149 344 L CA 0.632 55.500 54.840 0.047 0.000 0.816 344 L CB -0.770 41.328 42.059 0.064 0.000 0.932 344 L HN 0.500 nan 8.230 nan 0.000 0.449 345 A N 0.539 123.368 122.820 0.015 0.000 1.940 345 A HA -0.208 4.103 4.320 -0.015 0.000 0.219 345 A C 2.179 179.754 177.584 -0.015 0.000 1.176 345 A CA 1.528 53.557 52.037 -0.014 0.000 0.631 345 A CB -0.472 18.507 19.000 -0.034 0.000 0.814 345 A HN 0.355 nan 8.150 nan 0.000 0.446 346 I N 0.364 120.925 120.570 -0.016 0.000 2.076 346 I HA -0.173 3.988 4.170 -0.015 0.000 0.237 346 I C -0.313 175.808 176.117 0.006 0.000 1.059 346 I CA 1.842 63.128 61.300 -0.024 0.000 1.317 346 I CB -0.940 37.050 38.000 -0.016 0.000 1.037 346 I HN 0.260 nan 8.210 nan 0.000 0.398 347 P HA -0.187 nan 4.420 nan 0.000 0.221 347 P C 1.277 178.556 177.300 -0.035 0.000 1.150 347 P CA 1.562 64.677 63.100 0.025 0.000 0.800 347 P CB -0.016 31.724 31.700 0.065 0.000 0.787 348 E N -0.021 120.231 120.200 0.086 0.000 2.152 348 E HA -0.132 4.209 4.350 -0.015 0.000 0.192 348 E C 1.876 178.441 176.600 -0.059 0.000 0.983 348 E CA 0.514 56.978 56.400 0.106 0.000 0.818 348 E CB -1.082 28.773 29.700 0.258 0.000 0.758 348 E HN -0.016 nan 8.360 nan 0.000 0.467 349 L N 0.024 121.188 121.223 -0.099 0.000 2.093 349 L HA -0.021 4.310 4.340 -0.015 0.000 0.208 349 L C 1.949 178.665 176.870 -0.257 0.000 1.085 349 L CA 1.633 56.361 54.840 -0.187 0.000 0.755 349 L CB -0.536 41.417 42.059 -0.176 0.000 0.904 349 L HN 0.247 nan 8.230 nan 0.000 0.435 350 M N -0.845 118.616 119.600 -0.231 0.000 2.099 350 M HA -0.175 4.296 4.480 -0.015 0.000 0.262 350 M C 2.388 178.509 176.300 -0.298 0.000 1.067 350 M CA 1.412 56.525 55.300 -0.312 0.000 1.124 350 M CB -1.091 31.315 32.600 -0.324 0.000 1.353 350 M HN 0.300 nan 8.290 nan 0.000 0.410 351 R N 0.116 120.461 120.500 -0.258 0.000 2.094 351 R HA -0.159 4.172 4.340 -0.015 0.000 0.239 351 R C 2.092 178.278 176.300 -0.190 0.000 1.137 351 R CA 2.002 57.956 56.100 -0.243 0.000 0.943 351 R CB -0.347 29.757 30.300 -0.325 0.000 0.850 351 R HN 0.182 nan 8.270 nan 0.000 0.433 352 V N 1.523 121.326 119.914 -0.185 0.000 2.233 352 V HA -0.295 3.816 4.120 -0.015 0.000 0.247 352 V C 2.517 178.450 176.094 -0.269 0.000 1.050 352 V CA 2.056 64.244 62.300 -0.186 0.000 1.010 352 V CB -0.535 31.172 31.823 -0.192 0.000 0.637 352 V HN 0.371 nan 8.190 nan 0.000 0.444 353 L N -0.488 120.507 121.223 -0.380 0.000 1.990 353 L HA -0.221 4.110 4.340 -0.015 0.000 0.213 353 L C 2.444 179.123 176.870 -0.318 0.000 1.072 353 L CA 1.646 56.198 54.840 -0.479 0.000 0.755 353 L CB -0.690 41.051 42.059 -0.531 0.000 0.889 353 L HN 0.229 nan 8.230 nan 0.000 0.432 354 V N -0.645 119.119 119.914 -0.250 0.000 2.302 354 V HA -0.212 3.899 4.120 -0.015 0.000 0.243 354 V C 2.032 178.076 176.094 -0.084 0.000 1.036 354 V CA 1.774 63.988 62.300 -0.143 0.000 1.020 354 V CB -0.370 31.386 31.823 -0.110 0.000 0.657 354 V HN 0.386 nan 8.190 nan 0.000 0.453 355 D N -0.095 120.250 120.400 -0.092 0.000 2.137 355 D HA -0.012 4.619 4.640 -0.015 0.000 0.202 355 D C 2.072 178.342 176.300 -0.050 0.000 0.970 355 D CA 1.207 55.174 54.000 -0.055 0.000 0.837 355 D CB 0.016 40.781 40.800 -0.058 0.000 0.981 355 D HN 0.317 nan 8.370 nan 0.000 0.475 356 L N 0.320 121.499 121.223 -0.074 0.000 2.269 356 L HA 0.096 4.427 4.340 -0.015 0.000 0.200 356 L C 1.938 178.775 176.870 -0.055 0.000 1.069 356 L CA 0.560 55.368 54.840 -0.053 0.000 0.804 356 L CB -0.123 41.906 42.059 -0.050 0.000 0.987 356 L HN -0.163 nan 8.230 nan 0.000 0.468 357 E N 0.772 120.904 120.200 -0.114 0.000 2.435 357 E HA 0.005 4.346 4.350 -0.015 0.000 0.195 357 E C 0.102 176.663 176.600 -0.065 0.000 1.029 357 E CA 0.002 56.341 56.400 -0.101 0.000 0.865 357 E CB 0.205 29.738 29.700 -0.279 0.000 0.833 357 E HN 0.272 nan 8.360 nan 0.000 0.510 358 R N 0.018 120.475 120.500 -0.073 0.000 3.423 358 R HA -0.187 4.144 4.340 -0.015 0.000 0.271 358 R C -0.534 175.748 176.300 -0.029 0.000 1.093 358 R CA 0.233 56.313 56.100 -0.033 0.000 0.730 358 R CB -2.507 27.793 30.300 0.001 0.000 1.190 358 R HN 0.038 nan 8.270 nan 0.000 0.437 359 L N 1.772 122.949 121.223 -0.077 0.000 2.399 359 L HA 0.203 4.534 4.340 -0.015 0.000 0.266 359 L C 1.239 178.098 176.870 -0.017 0.000 1.114 359 L CA 0.005 54.812 54.840 -0.056 0.000 0.804 359 L CB 0.580 42.559 42.059 -0.134 0.000 1.146 359 L HN 0.138 nan 8.230 nan 0.000 0.451 360 D N 0.663 121.079 120.400 0.026 0.000 2.362 360 D HA -0.132 4.499 4.640 -0.015 0.000 0.242 360 D C 0.972 177.335 176.300 0.105 0.000 1.132 360 D CA -0.494 53.555 54.000 0.083 0.000 0.907 360 D CB 0.752 41.607 40.800 0.092 0.000 1.195 360 D HN 0.598 nan 8.370 nan 0.000 0.429 361 W N 2.453 123.755 121.300 0.003 0.000 2.290 361 W HA -0.265 4.386 4.660 -0.015 0.000 0.328 361 W C 1.220 177.781 176.519 0.069 0.000 1.272 361 W CA 2.064 59.417 57.345 0.014 0.000 1.262 361 W CB -0.335 29.114 29.460 -0.019 0.000 1.151 361 W HN 0.516 nan 8.180 nan 0.000 0.473 362 D N 0.013 120.607 120.400 0.323 0.000 2.149 362 D HA -0.207 4.424 4.640 -0.015 0.000 0.198 362 D C 2.048 178.441 176.300 0.156 0.000 0.990 362 D CA 1.387 55.545 54.000 0.264 0.000 0.839 362 D CB -0.388 40.548 40.800 0.227 0.000 0.948 362 D HN 0.126 nan 8.370 nan 0.000 0.460 363 K N 0.926 121.377 120.400 0.086 0.000 2.103 363 K HA 0.001 4.312 4.320 -0.015 0.000 0.204 363 K C 1.999 178.584 176.600 -0.025 0.000 1.052 363 K CA 0.746 57.058 56.287 0.042 0.000 0.945 363 K CB -0.173 32.349 32.500 0.037 0.000 0.722 363 K HN 0.012 nan 8.250 nan 0.000 0.443 364 A N 0.940 123.701 122.820 -0.097 0.000 1.877 364 A HA -0.197 4.114 4.320 -0.015 0.000 0.216 364 A C 2.128 179.608 177.584 -0.173 0.000 1.186 364 A CA 1.333 53.239 52.037 -0.217 0.000 0.620 364 A CB -1.108 17.686 19.000 -0.343 0.000 0.822 364 A HN 0.636 nan 8.150 nan 0.000 0.443 365 W N 0.677 121.756 121.300 -0.368 0.000 2.358 365 W HA -0.184 4.467 4.660 -0.015 0.000 0.303 365 W C 2.036 178.490 176.519 -0.107 0.000 1.208 365 W CA 1.916 59.103 57.345 -0.263 0.000 1.274 365 W CB -0.119 29.238 29.460 -0.170 0.000 1.138 365 W HN 0.610 nan 8.180 nan 0.000 0.515 366 E N 0.056 120.254 120.200 -0.003 0.000 2.058 366 E HA -0.235 4.106 4.350 -0.015 0.000 0.194 366 E C 2.037 178.555 176.600 -0.136 0.000 0.997 366 E CA 2.042 58.402 56.400 -0.067 0.000 0.801 366 E CB -0.341 29.375 29.700 0.027 0.000 0.746 366 E HN 0.069 nan 8.360 nan 0.000 0.450 367 V N 0.691 120.540 119.914 -0.109 0.000 2.295 367 V HA -0.270 3.841 4.120 -0.015 0.000 0.246 367 V C 2.441 178.462 176.094 -0.120 0.000 1.049 367 V CA 2.220 64.472 62.300 -0.081 0.000 1.024 367 V CB -0.822 30.943 31.823 -0.096 0.000 0.648 367 V HN 0.373 nan 8.190 nan 0.000 0.447 368 T N 0.053 114.462 114.554 -0.242 0.000 2.652 368 T HA -0.178 4.163 4.350 -0.015 0.000 0.267 368 T C 1.928 176.437 174.700 -0.318 0.000 1.039 368 T CA 1.814 63.744 62.100 -0.283 0.000 1.153 368 T CB -0.278 68.358 68.868 -0.386 0.000 0.863 368 T HN 0.283 nan 8.240 nan 0.000 0.428 369 V N 1.113 120.714 119.914 -0.522 0.000 2.490 369 V HA -0.125 3.986 4.120 -0.015 0.000 0.250 369 V C 2.340 178.364 176.094 -0.117 0.000 1.061 369 V CA 1.524 63.572 62.300 -0.419 0.000 1.064 369 V CB -0.463 31.025 31.823 -0.559 0.000 0.670 369 V HN 0.417 nan 8.190 nan 0.000 0.461 370 K N -0.233 120.088 120.400 -0.133 0.000 2.366 370 K HA -0.087 4.224 4.320 -0.015 0.000 0.198 370 K C 2.152 178.711 176.600 -0.068 0.000 1.044 370 K CA 1.457 57.664 56.287 -0.134 0.000 0.973 370 K CB -0.065 32.361 32.500 -0.124 0.000 0.767 370 K HN 0.634 nan 8.250 nan 0.000 0.475 371 T N -2.082 112.491 114.554 0.032 0.000 3.014 371 T HA 0.101 4.442 4.350 -0.015 0.000 0.250 371 T C 0.581 175.382 174.700 0.168 0.000 1.060 371 T CA -0.347 61.807 62.100 0.090 0.000 1.040 371 T CB -0.022 68.904 68.868 0.096 0.000 0.971 371 T HN -0.003 nan 8.240 nan 0.000 0.497 372 C N 2.710 122.096 119.300 0.142 0.000 2.388 372 C HA 0.915 5.366 4.460 -0.015 0.000 0.362 372 C C 0.595 175.644 174.990 0.098 0.000 1.266 372 C CA -0.843 58.238 59.018 0.105 0.000 2.028 372 C CB 0.036 27.772 27.740 -0.007 0.000 2.440 372 C HN 0.741 nan 8.230 nan 0.000 0.547 373 A N 2.541 125.414 122.820 0.090 0.000 2.449 373 A HA 0.748 5.059 4.320 -0.015 0.000 0.302 373 A C -1.458 176.207 177.584 0.135 0.000 1.048 373 A CA -0.424 51.620 52.037 0.012 0.000 0.708 373 A CB 0.995 20.022 19.000 0.045 0.000 1.274 373 A HN 0.942 nan 8.150 nan 0.000 0.410 374 Y N 1.185 121.437 120.300 -0.081 0.000 2.409 374 Y HA 0.667 5.208 4.550 -0.015 0.000 0.343 374 Y C -0.524 175.361 175.900 -0.026 0.000 0.973 374 Y CA -0.396 57.669 58.100 -0.058 0.000 1.064 374 Y CB 2.074 40.455 38.460 -0.132 0.000 1.207 374 Y HN 0.556 nan 8.280 nan 0.000 0.452 375 T N 6.384 120.834 114.554 -0.174 0.000 2.786 375 T HA 0.184 4.525 4.350 -0.015 0.000 0.283 375 T C -0.922 173.392 174.700 -0.642 0.000 0.992 375 T CA -0.819 61.069 62.100 -0.354 0.000 0.954 375 T CB 0.455 69.335 68.868 0.021 0.000 0.934 375 T HN 0.631 nan 8.240 nan 0.000 0.440 376 N N 1.835 120.100 118.700 -0.725 0.000 2.456 376 N HA 0.146 4.877 4.740 -0.015 0.000 0.288 376 N C 0.019 175.405 175.510 -0.207 0.000 1.059 376 N CA -0.314 52.523 53.050 -0.355 0.000 0.946 376 N CB 0.793 39.206 38.487 -0.124 0.000 1.150 376 N HN 0.681 nan 8.380 nan 0.000 0.479 377 H N 1.097 120.190 119.070 0.038 0.000 2.784 377 H HA 0.183 4.730 4.556 -0.015 0.000 0.273 377 H C -0.216 175.012 175.328 -0.167 0.000 1.112 377 H CA -0.076 55.935 56.048 -0.061 0.000 1.162 377 H CB 1.125 30.869 29.762 -0.030 0.000 1.586 377 H HN 0.518 nan 8.280 nan 0.000 0.548 378 T N 0.185 114.740 114.554 0.002 0.000 2.831 378 T HA 0.204 4.545 4.350 -0.015 0.000 0.333 378 T C 0.317 175.017 174.700 -0.000 0.000 1.684 378 T CA -0.300 61.752 62.100 -0.080 0.000 1.049 378 T CB 1.202 70.026 68.868 -0.074 0.000 1.518 378 T HN -0.038 nan 8.240 nan 0.000 0.491 379 V N 1.355 121.230 119.914 -0.065 0.000 3.556 379 V HA 0.509 4.620 4.120 -0.015 0.000 0.287 379 V C 0.915 176.960 176.094 -0.081 0.000 1.422 379 V CA 0.038 62.299 62.300 -0.066 0.000 1.038 379 V CB -0.599 31.193 31.823 -0.053 0.000 0.850 379 V HN 0.796 nan 8.190 nan 0.000 0.437 380 I N -0.123 120.388 120.570 -0.099 0.000 2.556 380 I HA 0.314 4.475 4.170 -0.015 0.000 0.284 380 I C -0.721 175.379 176.117 -0.028 0.000 1.114 380 I CA -1.684 59.582 61.300 -0.057 0.000 1.418 380 I CB 0.543 38.501 38.000 -0.070 0.000 1.394 380 I HN -0.045 nan 8.210 nan 0.000 0.552 381 P HA -0.247 nan 4.420 nan 0.000 0.216 381 P C 1.109 178.395 177.300 -0.025 0.000 1.153 381 P CA 1.613 64.701 63.100 -0.019 0.000 0.858 381 P CB -0.101 31.596 31.700 -0.006 0.000 0.789 382 E N 0.286 120.493 120.200 0.012 0.000 2.409 382 E HA -0.053 4.288 4.350 -0.015 0.000 0.198 382 E C 1.523 178.054 176.600 -0.115 0.000 1.024 382 E CA 1.091 57.474 56.400 -0.029 0.000 0.861 382 E CB -0.669 29.117 29.700 0.145 0.000 0.788 382 E HN 0.219 nan 8.360 nan 0.000 0.521 383 A N 0.979 123.782 122.820 -0.028 0.000 2.308 383 A HA 0.228 4.539 4.320 -0.015 0.000 0.217 383 A C 0.979 178.535 177.584 -0.047 0.000 1.216 383 A CA -0.368 51.668 52.037 -0.001 0.000 0.864 383 A CB 0.183 19.211 19.000 0.047 0.000 0.902 383 A HN 0.125 nan 8.150 nan 0.000 0.499 384 L N 1.591 122.747 121.223 -0.112 0.000 2.367 384 L HA 0.184 4.515 4.340 -0.015 0.000 0.275 384 L C -0.044 176.505 176.870 -0.535 0.000 1.129 384 L CA 0.402 55.120 54.840 -0.203 0.000 0.839 384 L CB 0.572 42.544 42.059 -0.145 0.000 1.133 384 L HN 0.383 nan 8.230 nan 0.000 0.453 385 E N 4.737 124.514 120.200 -0.705 0.000 2.129 385 E HA 0.208 4.549 4.350 -0.015 0.000 0.283 385 E C -0.528 175.437 176.600 -1.060 0.000 1.080 385 E CA -0.224 55.298 56.400 -1.464 0.000 0.867 385 E CB 0.700 29.859 29.700 -0.900 0.000 1.056 385 E HN 0.361 nan 8.360 nan 0.000 0.404 386 R N 3.834 123.620 120.500 -1.190 0.000 2.407 386 R HA 0.209 4.540 4.340 -0.015 0.000 0.298 386 R C -1.198 174.932 176.300 -0.284 0.000 1.166 386 R CA -0.563 55.254 56.100 -0.471 0.000 1.006 386 R CB 0.880 31.035 30.300 -0.241 0.000 1.145 386 R HN 0.430 nan 8.270 nan 0.000 0.538 387 W N 4.593 125.840 121.300 -0.088 0.000 2.322 387 W HA 0.270 4.921 4.660 -0.015 0.000 0.307 387 W C -1.897 174.596 176.519 -0.044 0.000 1.220 387 W CA -2.232 55.120 57.345 0.012 0.000 1.210 387 W CB 0.845 30.287 29.460 -0.030 0.000 1.223 387 W HN 0.254 nan 8.180 nan 0.000 0.511 388 P HA -0.092 nan 4.420 nan 0.000 0.264 388 P C 0.786 178.020 177.300 -0.111 0.000 1.193 388 P CA 0.231 63.324 63.100 -0.012 0.000 0.763 388 P CB 0.762 32.332 31.700 -0.216 0.000 0.810 389 V N 3.440 123.349 119.914 -0.008 0.000 2.392 389 V HA -0.292 3.819 4.120 -0.015 0.000 0.249 389 V C 2.149 178.239 176.094 -0.007 0.000 1.059 389 V CA 2.554 64.860 62.300 0.010 0.000 1.051 389 V CB -1.765 30.126 31.823 0.113 0.000 0.658 389 V HN 0.761 nan 8.190 nan 0.000 0.455 390 H N -1.077 118.044 119.070 0.086 0.000 2.457 390 H HA -0.124 4.423 4.556 -0.015 0.000 0.297 390 H C 2.039 177.407 175.328 0.066 0.000 1.092 390 H CA 1.733 57.826 56.048 0.076 0.000 1.309 390 H CB -0.542 29.268 29.762 0.079 0.000 1.382 390 H HN 0.371 nan 8.280 nan 0.000 0.535 391 L N -0.031 121.002 121.223 -0.317 0.000 2.007 391 L HA -0.085 4.247 4.340 -0.015 0.000 0.205 391 L C 2.480 179.276 176.870 -0.123 0.000 1.073 391 L CA 0.996 55.746 54.840 -0.150 0.000 0.744 391 L CB -0.297 41.656 42.059 -0.176 0.000 0.898 391 L HN 0.306 nan 8.230 nan 0.000 0.435 392 L N -0.380 120.745 121.223 -0.164 0.000 2.042 392 L HA -0.292 4.039 4.340 -0.015 0.000 0.210 392 L C 2.558 179.348 176.870 -0.133 0.000 1.076 392 L CA 1.412 56.134 54.840 -0.196 0.000 0.749 392 L CB -0.473 41.468 42.059 -0.197 0.000 0.893 392 L HN 0.369 nan 8.230 nan 0.000 0.432 393 E N -0.575 119.590 120.200 -0.058 0.000 2.070 393 E HA -0.246 4.095 4.350 -0.015 0.000 0.197 393 E C 1.956 178.579 176.600 0.039 0.000 1.004 393 E CA 2.057 58.459 56.400 0.004 0.000 0.805 393 E CB 0.089 29.834 29.700 0.074 0.000 0.744 393 E HN 0.437 nan 8.360 nan 0.000 0.451 394 T N 0.638 115.237 114.554 0.074 0.000 2.809 394 T HA -0.078 4.263 4.350 -0.015 0.000 0.260 394 T C 1.706 176.504 174.700 0.163 0.000 1.039 394 T CA 0.733 62.926 62.100 0.156 0.000 1.141 394 T CB -0.110 68.881 68.868 0.205 0.000 0.869 394 T HN 0.055 nan 8.240 nan 0.000 0.437 395 L N 0.142 121.357 121.223 -0.013 0.000 2.102 395 L HA 0.334 4.665 4.340 -0.015 0.000 0.202 395 L C 0.351 177.122 176.870 -0.165 0.000 1.076 395 L CA 1.607 56.314 54.840 -0.223 0.000 0.761 395 L CB -0.014 41.877 42.059 -0.280 0.000 0.921 395 L HN 0.169 nan 8.230 nan 0.000 0.444 396 L N 0.663 121.744 121.223 -0.237 0.000 2.637 396 L HA 0.300 4.631 4.340 -0.015 0.000 0.241 396 L C -1.657 175.008 176.870 -0.342 0.000 1.398 396 L CA -1.166 53.437 54.840 -0.396 0.000 0.895 396 L CB 0.781 42.419 42.059 -0.702 0.000 1.183 396 L HN -0.042 nan 8.230 nan 0.000 0.497 397 P HA -0.251 nan 4.420 nan 0.000 0.214 397 P C 1.520 178.630 177.300 -0.317 0.000 1.169 397 P CA 1.417 64.389 63.100 -0.212 0.000 0.908 397 P CB 0.318 31.961 31.700 -0.095 0.000 0.791 398 R N -0.796 119.352 120.500 -0.586 0.000 2.120 398 R HA -0.169 4.163 4.340 -0.015 0.000 0.234 398 R C 2.346 178.359 176.300 -0.478 0.000 1.123 398 R CA 1.513 57.285 56.100 -0.546 0.000 0.975 398 R CB -1.164 28.674 30.300 -0.769 0.000 0.866 398 R HN 0.263 nan 8.270 nan 0.000 0.446 399 H N -0.485 118.265 119.070 -0.534 0.000 2.389 399 H HA -0.027 4.520 4.556 -0.015 0.000 0.299 399 H C 1.745 176.899 175.328 -0.289 0.000 1.081 399 H CA 1.544 57.363 56.048 -0.381 0.000 1.345 399 H CB -0.025 29.473 29.762 -0.440 0.000 1.393 399 H HN 0.102 nan 8.280 nan 0.000 0.520 400 L N 0.476 121.577 121.223 -0.204 0.000 2.046 400 L HA -0.243 4.088 4.340 -0.015 0.000 0.208 400 L C 1.813 178.505 176.870 -0.298 0.000 1.077 400 L CA 1.624 56.281 54.840 -0.306 0.000 0.747 400 L CB -0.300 41.594 42.059 -0.275 0.000 0.896 400 L HN 0.428 nan 8.230 nan 0.000 0.432 401 Q N -0.319 119.407 119.800 -0.124 0.000 2.096 401 Q HA -0.237 4.094 4.340 -0.015 0.000 0.204 401 Q C 2.174 178.194 176.000 0.034 0.000 0.982 401 Q CA 1.674 57.493 55.803 0.026 0.000 0.850 401 Q CB -0.076 28.678 28.738 0.027 0.000 0.901 401 Q HN 0.557 nan 8.270 nan 0.000 0.422 402 I N 0.270 120.837 120.570 -0.006 0.000 2.252 402 I HA -0.273 3.888 4.170 -0.015 0.000 0.245 402 I C 2.116 178.304 176.117 0.118 0.000 1.102 402 I CA 1.015 62.391 61.300 0.126 0.000 1.385 402 I CB -0.122 37.898 38.000 0.033 0.000 1.064 402 I HN 0.207 nan 8.210 nan 0.000 0.414 403 I N -0.491 120.072 120.570 -0.012 0.000 2.226 403 I HA -0.319 3.842 4.170 -0.015 0.000 0.245 403 I C 2.377 178.514 176.117 0.033 0.000 1.100 403 I CA 1.433 62.717 61.300 -0.028 0.000 1.374 403 I CB -0.339 37.571 38.000 -0.150 0.000 1.057 403 I HN 0.166 nan 8.210 nan 0.000 0.413 404 Y N 0.803 121.106 120.300 0.004 0.000 2.200 404 Y HA -0.261 4.280 4.550 -0.015 0.000 0.290 404 Y C 2.588 178.451 175.900 -0.061 0.000 1.137 404 Y CA 1.545 59.635 58.100 -0.017 0.000 1.163 404 Y CB -0.757 37.685 38.460 -0.029 0.000 0.988 404 Y HN 0.212 nan 8.280 nan 0.000 0.518 405 E N 0.410 120.649 120.200 0.066 0.000 2.106 405 E HA -0.147 4.194 4.350 -0.015 0.000 0.192 405 E C 1.946 178.452 176.600 -0.155 0.000 0.984 405 E CA 1.320 57.617 56.400 -0.172 0.000 0.806 405 E CB -0.565 28.876 29.700 -0.433 0.000 0.750 405 E HN 0.492 nan 8.360 nan 0.000 0.458 406 I N 0.558 121.134 120.570 0.010 0.000 2.202 406 I HA -0.235 3.926 4.170 -0.015 0.000 0.242 406 I C 2.294 178.408 176.117 -0.005 0.000 1.091 406 I CA 1.249 62.514 61.300 -0.058 0.000 1.368 406 I CB -0.396 37.581 38.000 -0.038 0.000 1.058 406 I HN 0.200 nan 8.210 nan 0.000 0.410 407 N N 0.743 119.495 118.700 0.087 0.000 2.061 407 N HA -0.271 4.460 4.740 -0.015 0.000 0.193 407 N C 1.866 177.460 175.510 0.140 0.000 1.030 407 N CA 1.667 54.824 53.050 0.177 0.000 0.856 407 N CB -0.124 38.487 38.487 0.207 0.000 1.023 407 N HN 0.279 nan 8.380 nan 0.000 0.424 408 Q N -0.222 119.604 119.800 0.043 0.000 2.045 408 Q HA -0.142 4.189 4.340 -0.015 0.000 0.206 408 Q C 2.092 178.071 176.000 -0.036 0.000 0.991 408 Q CA 1.761 57.550 55.803 -0.023 0.000 0.851 408 Q CB -0.011 28.667 28.738 -0.099 0.000 0.911 408 Q HN 0.421 nan 8.270 nan 0.000 0.418 409 R N -0.798 119.658 120.500 -0.073 0.000 2.092 409 R HA -0.128 4.203 4.340 -0.015 0.000 0.231 409 R C 2.175 178.500 176.300 0.041 0.000 1.119 409 R CA 1.144 57.202 56.100 -0.069 0.000 0.970 409 R CB -0.414 29.791 30.300 -0.157 0.000 0.864 409 R HN 0.258 nan 8.270 nan 0.000 0.440 410 F N 1.906 121.824 119.950 -0.053 0.000 2.075 410 F HA -0.116 4.402 4.527 -0.015 0.000 0.297 410 F C 1.977 177.795 175.800 0.030 0.000 1.113 410 F CA 1.312 59.327 58.000 0.026 0.000 1.218 410 F CB -0.436 38.610 39.000 0.077 0.000 0.984 410 F HN -0.137 nan 8.300 nan 0.000 0.472 411 L N 0.196 121.389 121.223 -0.050 0.000 2.127 411 L HA -0.295 4.036 4.340 -0.015 0.000 0.211 411 L C 2.029 178.808 176.870 -0.151 0.000 1.089 411 L CA 1.907 56.651 54.840 -0.161 0.000 0.757 411 L CB -0.952 41.094 42.059 -0.022 0.000 0.899 411 L HN 0.291 nan 8.230 nan 0.000 0.434 412 N N -0.491 118.154 118.700 -0.092 0.000 2.289 412 N HA -0.179 4.552 4.740 -0.015 0.000 0.184 412 N C 1.932 177.385 175.510 -0.094 0.000 1.016 412 N CA 0.632 53.634 53.050 -0.080 0.000 0.872 412 N CB 0.003 38.453 38.487 -0.062 0.000 0.973 412 N HN 0.242 nan 8.380 nan 0.000 0.433 413 R N 0.465 120.892 120.500 -0.122 0.000 2.075 413 R HA -0.027 4.304 4.340 -0.015 0.000 0.232 413 R C 2.066 178.270 176.300 -0.160 0.000 1.126 413 R CA 0.751 56.783 56.100 -0.114 0.000 0.963 413 R CB -0.109 30.145 30.300 -0.077 0.000 0.858 413 R HN 0.039 nan 8.270 nan 0.000 0.435 414 V N 0.655 120.417 119.914 -0.254 0.000 2.261 414 V HA -0.246 3.865 4.120 -0.015 0.000 0.246 414 V C 2.367 178.455 176.094 -0.010 0.000 1.047 414 V CA 1.993 64.211 62.300 -0.137 0.000 1.015 414 V CB -0.810 30.853 31.823 -0.266 0.000 0.642 414 V HN 0.454 nan 8.190 nan 0.000 0.446 415 A N 0.174 122.960 122.820 -0.057 0.000 1.917 415 A HA -0.211 4.100 4.320 -0.015 0.000 0.219 415 A C 2.405 179.964 177.584 -0.041 0.000 1.182 415 A CA 2.446 54.467 52.037 -0.026 0.000 0.633 415 A CB -0.882 18.093 19.000 -0.043 0.000 0.819 415 A HN 0.620 nan 8.150 nan 0.000 0.448 416 A N -0.651 122.124 122.820 -0.075 0.000 1.969 416 A HA 0.223 4.534 4.320 -0.015 0.000 0.218 416 A C 2.399 179.889 177.584 -0.157 0.000 1.169 416 A CA 1.948 53.930 52.037 -0.093 0.000 0.635 416 A CB -0.727 18.224 19.000 -0.082 0.000 0.810 416 A HN 1.041 nan 8.150 nan 0.000 0.445 417 A N -1.531 121.143 122.820 -0.242 0.000 1.975 417 A HA 0.369 4.680 4.320 -0.015 0.000 0.215 417 A C 0.463 177.588 177.584 -0.765 0.000 1.170 417 A CA 0.502 52.209 52.037 -0.550 0.000 0.656 417 A CB -0.145 18.403 19.000 -0.753 0.000 0.821 417 A HN 0.430 nan 8.150 nan 0.000 0.449 418 F N 0.153 120.054 119.950 -0.082 0.000 2.531 418 F HA 0.354 4.871 4.527 -0.015 0.000 0.333 418 F C -2.760 173.001 175.800 -0.065 0.000 1.292 418 F CA -2.896 55.060 58.000 -0.072 0.000 1.184 418 F CB 0.738 39.687 39.000 -0.085 0.000 1.426 418 F HN -0.074 nan 8.300 nan 0.000 0.559 419 P HA 0.149 nan 4.420 nan 0.000 0.261 419 P C 1.036 178.355 177.300 0.032 0.000 1.183 419 P CA 1.148 64.260 63.100 0.019 0.000 0.761 419 P CB 0.762 32.456 31.700 -0.011 0.000 0.785 420 G N 2.967 111.779 108.800 0.019 0.000 2.253 420 G HA2 -0.252 3.700 3.960 -0.015 0.000 0.251 420 G HA3 -0.252 3.700 3.960 -0.015 0.000 0.251 420 G C 0.429 175.337 174.900 0.013 0.000 0.998 420 G CA -0.017 45.091 45.100 0.012 0.000 0.621 420 G HN 0.574 nan 8.290 nan 0.000 0.524 421 D N 1.192 121.609 120.400 0.029 0.000 2.600 421 D HA 0.355 4.986 4.640 -0.015 0.000 0.226 421 D C 1.648 177.935 176.300 -0.022 0.000 1.119 421 D CA 0.519 54.519 54.000 -0.000 0.000 1.051 421 D CB 0.510 41.304 40.800 -0.011 0.000 1.106 421 D HN 0.159 nan 8.370 nan 0.000 0.491 422 V N 2.618 122.522 119.914 -0.017 0.000 2.490 422 V HA -0.220 3.891 4.120 -0.015 0.000 0.250 422 V C 1.726 177.805 176.094 -0.024 0.000 1.061 422 V CA 1.909 64.198 62.300 -0.018 0.000 1.064 422 V CB 0.012 31.828 31.823 -0.011 0.000 0.670 422 V HN 0.363 nan 8.190 nan 0.000 0.461 423 D N -0.399 119.982 120.400 -0.030 0.000 2.149 423 D HA -0.187 4.444 4.640 -0.015 0.000 0.201 423 D C 2.306 178.578 176.300 -0.047 0.000 0.972 423 D CA 1.285 55.267 54.000 -0.028 0.000 0.835 423 D CB -0.196 40.587 40.800 -0.028 0.000 0.966 423 D HN 0.430 nan 8.370 nan 0.000 0.476 424 R N -0.337 120.110 120.500 -0.089 0.000 2.091 424 R HA -0.145 4.186 4.340 -0.015 0.000 0.238 424 R C 1.931 178.160 176.300 -0.118 0.000 1.136 424 R CA 0.957 56.966 56.100 -0.151 0.000 0.959 424 R CB -0.363 29.782 30.300 -0.258 0.000 0.856 424 R HN 0.148 nan 8.270 nan 0.000 0.437 425 L N 1.464 122.639 121.223 -0.080 0.000 1.990 425 L HA -0.216 4.115 4.340 -0.015 0.000 0.213 425 L C 2.617 179.486 176.870 -0.002 0.000 1.072 425 L CA 2.331 57.140 54.840 -0.052 0.000 0.755 425 L CB -0.857 41.183 42.059 -0.032 0.000 0.889 425 L HN 0.334 nan 8.230 nan 0.000 0.432 426 R N -1.111 119.398 120.500 0.014 0.000 2.092 426 R HA -0.095 4.236 4.340 -0.015 0.000 0.231 426 R C 2.212 178.569 176.300 0.095 0.000 1.119 426 R CA 1.163 57.296 56.100 0.055 0.000 0.970 426 R CB -0.680 29.645 30.300 0.043 0.000 0.864 426 R HN 0.183 nan 8.270 nan 0.000 0.440 427 R N 0.214 120.754 120.500 0.067 0.000 2.096 427 R HA 0.060 4.391 4.340 -0.015 0.000 0.235 427 R C 2.092 178.508 176.300 0.193 0.000 1.127 427 R CA 1.936 58.105 56.100 0.116 0.000 0.968 427 R CB -0.184 30.143 30.300 0.044 0.000 0.861 427 R HN 0.348 nan 8.270 nan 0.000 0.440 428 M N -0.094 119.543 119.600 0.062 0.000 2.514 428 M HA 0.029 4.500 4.480 -0.015 0.000 0.258 428 M C 0.917 177.400 176.300 0.305 0.000 1.119 428 M CA 0.013 55.318 55.300 0.009 0.000 1.111 428 M CB 0.370 32.791 32.600 -0.299 0.000 1.390 428 M HN -0.082 nan 8.290 nan 0.000 0.475 429 S N 1.064 116.942 115.700 0.297 0.000 2.554 429 S HA 0.006 4.467 4.470 -0.015 0.000 0.290 429 S C 1.117 176.004 174.600 0.479 0.000 1.309 429 S CA -0.097 58.306 58.200 0.340 0.000 1.047 429 S CB 0.522 63.858 63.200 0.227 0.000 0.828 429 S HN 0.360 nan 8.310 nan 0.000 0.509 430 L N 3.820 125.270 121.223 0.378 0.000 2.418 430 L HA 0.133 4.464 4.340 -0.015 0.000 0.218 430 L C 0.166 177.157 176.870 0.202 0.000 1.125 430 L CA 0.246 55.268 54.840 0.303 0.000 0.835 430 L CB -0.295 41.881 42.059 0.195 0.000 0.953 430 L HN 0.381 nan 8.230 nan 0.000 0.454 431 V N 0.557 120.601 119.914 0.218 0.000 2.370 431 V HA 0.206 4.318 4.120 -0.015 0.000 0.279 431 V C -0.032 176.156 176.094 0.155 0.000 1.029 431 V CA -0.602 61.810 62.300 0.186 0.000 0.870 431 V CB 1.658 33.629 31.823 0.246 0.000 0.984 431 V HN 0.151 nan 8.190 nan 0.000 0.451 432 E N 3.095 123.365 120.200 0.116 0.000 2.113 432 E HA 0.399 4.740 4.350 -0.015 0.000 0.273 432 E C -0.690 175.963 176.600 0.088 0.000 0.924 432 E CA -0.547 55.910 56.400 0.094 0.000 0.764 432 E CB 1.853 31.587 29.700 0.056 0.000 1.104 432 E HN 0.624 nan 8.360 nan 0.000 0.406 433 E N 1.079 121.328 120.200 0.082 0.000 2.345 433 E HA 0.612 4.953 4.350 -0.015 0.000 0.259 433 E C 0.263 176.899 176.600 0.061 0.000 1.117 433 E CA 0.474 56.916 56.400 0.071 0.000 0.913 433 E CB 1.338 31.074 29.700 0.059 0.000 1.057 433 E HN 0.653 nan 8.360 nan 0.000 0.432 434 G N -0.249 108.585 108.800 0.057 0.000 2.302 434 G HA2 0.225 4.176 3.960 -0.015 0.000 0.264 434 G HA3 0.225 4.176 3.960 -0.015 0.000 0.264 434 G C 0.538 175.470 174.900 0.053 0.000 1.335 434 G CA 0.311 45.441 45.100 0.050 0.000 0.982 434 G HN 0.648 nan 8.290 nan 0.000 0.473 435 A N -0.872 121.978 122.820 0.050 0.000 1.883 435 A HA 0.232 4.543 4.320 -0.015 0.000 0.222 435 A C 1.835 179.459 177.584 0.066 0.000 1.339 435 A CA 4.677 56.745 52.037 0.051 0.000 0.692 435 A CB -1.253 17.776 19.000 0.050 0.000 0.845 435 A HN 2.451 nan 8.150 nan 0.000 0.467 436 V N -3.011 116.955 119.914 0.087 0.000 2.735 436 V HA 0.581 4.692 4.120 -0.015 0.000 0.310 436 V C -0.637 175.530 176.094 0.121 0.000 1.061 436 V CA -1.365 61.009 62.300 0.123 0.000 0.913 436 V CB 1.773 33.701 31.823 0.176 0.000 1.005 436 V HN 0.402 nan 8.190 nan 0.000 0.428 437 K N 4.060 124.540 120.400 0.135 0.000 2.326 437 K HA 0.508 4.819 4.320 -0.015 0.000 0.275 437 K C -0.409 176.264 176.600 0.121 0.000 1.018 437 K CA -0.263 56.100 56.287 0.126 0.000 0.962 437 K CB 1.034 33.622 32.500 0.146 0.000 0.953 437 K HN 0.725 nan 8.250 nan 0.000 0.475 438 R N 1.123 121.682 120.500 0.098 0.000 2.888 438 R HA 0.522 4.853 4.340 -0.015 0.000 0.264 438 R C -0.629 175.711 176.300 0.066 0.000 1.045 438 R CA -1.017 55.129 56.100 0.077 0.000 0.962 438 R CB 1.291 31.618 30.300 0.046 0.000 1.210 438 R HN 0.385 nan 8.270 nan 0.000 0.479 439 I N 1.831 122.432 120.570 0.051 0.000 2.389 439 I HA 0.163 4.324 4.170 -0.015 0.000 0.288 439 I C -0.455 175.647 176.117 -0.026 0.000 0.999 439 I CA -0.749 60.569 61.300 0.030 0.000 1.129 439 I CB 1.470 39.485 38.000 0.024 0.000 1.288 439 I HN 0.511 nan 8.210 nan 0.000 0.444 440 N N 7.162 125.821 118.700 -0.068 0.000 2.555 440 N HA 0.062 4.793 4.740 -0.015 0.000 0.244 440 N C 1.000 176.411 175.510 -0.165 0.000 1.114 440 N CA -0.344 52.585 53.050 -0.201 0.000 0.963 440 N CB 0.728 38.960 38.487 -0.425 0.000 1.276 440 N HN 0.375 nan 8.380 nan 0.000 0.510 441 M N 2.090 121.598 119.600 -0.154 0.000 2.143 441 M HA -0.195 4.276 4.480 -0.015 0.000 0.258 441 M C 2.002 178.165 176.300 -0.228 0.000 1.071 441 M CA 1.250 56.469 55.300 -0.136 0.000 1.088 441 M CB -1.719 30.820 32.600 -0.103 0.000 1.360 441 M HN 0.594 nan 8.290 nan 0.000 0.404 442 A N -0.812 121.867 122.820 -0.235 0.000 1.883 442 A HA -0.204 4.107 4.320 -0.015 0.000 0.217 442 A C 2.043 179.434 177.584 -0.322 0.000 1.186 442 A CA 1.822 53.696 52.037 -0.273 0.000 0.624 442 A CB -1.240 17.771 19.000 0.019 0.000 0.822 442 A HN 0.655 nan 8.150 nan 0.000 0.444 443 H N -1.107 117.763 119.070 -0.333 0.000 2.387 443 H HA -0.068 4.479 4.556 -0.015 0.000 0.299 443 H C 2.123 177.254 175.328 -0.328 0.000 1.090 443 H CA 0.954 56.773 56.048 -0.382 0.000 1.332 443 H CB -0.070 29.667 29.762 -0.042 0.000 1.386 443 H HN 0.392 nan 8.280 nan 0.000 0.516 444 L N 0.301 121.455 121.223 -0.116 0.000 2.017 444 L HA -0.228 4.103 4.340 -0.015 0.000 0.208 444 L C 2.325 179.072 176.870 -0.206 0.000 1.073 444 L CA 1.361 56.128 54.840 -0.122 0.000 0.745 444 L CB -0.430 41.576 42.059 -0.087 0.000 0.894 444 L HN 0.443 nan 8.230 nan 0.000 0.432 445 C N 0.100 119.180 119.300 -0.367 0.000 2.413 445 C HA -0.190 4.261 4.460 -0.015 0.000 0.276 445 C C 2.674 177.450 174.990 -0.357 0.000 1.248 445 C CA 0.636 59.368 59.018 -0.477 0.000 1.742 445 C CB -0.809 26.272 27.740 -1.098 0.000 2.017 445 C HN 0.513 nan 8.230 nan 0.000 0.481 446 I N 1.513 121.837 120.570 -0.409 0.000 2.127 446 I HA -0.245 3.916 4.170 -0.015 0.000 0.241 446 I C 2.796 178.779 176.117 -0.223 0.000 1.075 446 I CA 1.813 62.907 61.300 -0.343 0.000 1.334 446 I CB -0.674 36.990 38.000 -0.560 0.000 1.040 446 I HN 0.285 nan 8.210 nan 0.000 0.405 447 A N 0.579 123.243 122.820 -0.260 0.000 1.940 447 A HA -0.126 4.185 4.320 -0.015 0.000 0.219 447 A C 2.192 179.807 177.584 0.052 0.000 1.176 447 A CA 1.964 53.875 52.037 -0.209 0.000 0.631 447 A CB -1.181 17.510 19.000 -0.515 0.000 0.814 447 A HN 0.507 nan 8.150 nan 0.000 0.446 448 G N -1.191 107.589 108.800 -0.034 0.000 3.284 448 G HA2 0.423 4.374 3.960 -0.015 0.000 0.236 448 G HA3 0.423 4.374 3.960 -0.015 0.000 0.236 448 G C 0.075 174.801 174.900 -0.290 0.000 1.158 448 G CA 0.490 45.433 45.100 -0.261 0.000 0.774 448 G HN 0.348 nan 8.290 nan 0.000 0.545 449 S N -0.391 115.206 115.700 -0.171 0.000 2.536 449 S HA 0.332 4.793 4.470 -0.015 0.000 0.298 449 S C 0.660 175.225 174.600 -0.059 0.000 1.083 449 S CA -0.720 57.414 58.200 -0.110 0.000 0.995 449 S CB 1.285 64.425 63.200 -0.100 0.000 1.058 449 S HN 0.500 nan 8.310 nan 0.000 0.488 450 H N -0.215 118.820 119.070 -0.057 0.000 2.548 450 H HA 0.540 5.087 4.556 -0.015 0.000 0.265 450 H C 0.081 175.401 175.328 -0.013 0.000 0.969 450 H CA 0.209 56.251 56.048 -0.010 0.000 1.155 450 H CB 0.134 29.903 29.762 0.012 0.000 1.394 450 H HN 0.522 nan 8.280 nan 0.000 0.570 451 A N 0.828 123.388 122.820 -0.433 0.000 2.547 451 A HA 0.565 4.876 4.320 -0.015 0.000 0.297 451 A C -1.477 175.916 177.584 -0.319 0.000 1.056 451 A CA -0.555 51.261 52.037 -0.368 0.000 0.688 451 A CB 2.151 20.889 19.000 -0.435 0.000 1.282 451 A HN 0.092 nan 8.150 nan 0.000 0.400 452 V N 3.524 123.217 119.914 -0.369 0.000 2.709 452 V HA 0.633 4.744 4.120 -0.015 0.000 0.308 452 V C -0.758 175.154 176.094 -0.304 0.000 1.062 452 V CA -0.717 61.350 62.300 -0.389 0.000 0.901 452 V CB 2.021 33.467 31.823 -0.628 0.000 1.003 452 V HN 1.059 nan 8.190 nan 0.000 0.425 453 N N 2.454 120.980 118.700 -0.289 0.000 2.277 453 N HA 0.559 5.290 4.740 -0.015 0.000 0.286 453 N C -0.375 175.027 175.510 -0.179 0.000 1.140 453 N CA -0.386 52.544 53.050 -0.201 0.000 0.799 453 N CB 2.799 41.154 38.487 -0.219 0.000 1.596 453 N HN 0.697 nan 8.380 nan 0.000 0.473 454 G N -0.634 108.090 108.800 -0.127 0.000 2.547 454 G HA2 0.406 4.357 3.960 -0.015 0.000 0.291 454 G HA3 0.406 4.357 3.960 -0.015 0.000 0.291 454 G C 0.838 175.793 174.900 0.091 0.000 1.211 454 G CA -0.521 44.547 45.100 -0.052 0.000 0.950 454 G HN 0.635 nan 8.290 nan 0.000 0.504 455 V N -3.187 116.909 119.914 0.305 0.000 3.376 455 V HA 0.682 4.793 4.120 -0.015 0.000 0.313 455 V C 0.581 176.761 176.094 0.143 0.000 1.393 455 V CA 0.266 62.654 62.300 0.147 0.000 1.125 455 V CB -1.020 30.837 31.823 0.056 0.000 1.037 455 V HN 1.365 nan 8.190 nan 0.000 0.440 456 A N -0.217 122.698 122.820 0.157 0.000 2.590 456 A HA 0.601 4.912 4.320 -0.015 0.000 0.296 456 A C 0.656 178.284 177.584 0.075 0.000 1.050 456 A CA -0.122 51.982 52.037 0.112 0.000 0.697 456 A CB 1.026 20.085 19.000 0.098 0.000 1.277 456 A HN 0.020 nan 8.150 nan 0.000 0.411 457 R N 0.833 121.357 120.500 0.039 0.000 2.113 457 R HA -0.186 4.145 4.340 -0.015 0.000 0.244 457 R C 1.777 178.067 176.300 -0.017 0.000 1.142 457 R CA 2.388 58.488 56.100 -0.001 0.000 0.953 457 R CB -0.244 30.052 30.300 -0.006 0.000 0.860 457 R HN 0.840 nan 8.270 nan 0.000 0.438 458 I N 0.061 120.632 120.570 0.002 0.000 2.252 458 I HA -0.285 3.876 4.170 -0.015 0.000 0.245 458 I C 2.382 178.498 176.117 -0.003 0.000 1.102 458 I CA 1.920 63.213 61.300 -0.012 0.000 1.385 458 I CB -0.310 37.684 38.000 -0.009 0.000 1.064 458 I HN 0.326 nan 8.210 nan 0.000 0.414 459 H N 0.638 119.674 119.070 -0.057 0.000 2.319 459 H HA -0.161 4.386 4.556 -0.015 0.000 0.299 459 H C 2.268 177.553 175.328 -0.071 0.000 1.092 459 H CA 2.287 58.295 56.048 -0.066 0.000 1.302 459 H CB -0.476 29.252 29.762 -0.056 0.000 1.373 459 H HN 0.296 nan 8.280 nan 0.000 0.497 460 S N 0.237 115.770 115.700 -0.278 0.000 2.359 460 S HA -0.159 4.302 4.470 -0.015 0.000 0.224 460 S C 1.982 176.433 174.600 -0.248 0.000 1.035 460 S CA 1.383 59.404 58.200 -0.298 0.000 1.018 460 S CB -0.147 62.965 63.200 -0.147 0.000 0.876 460 S HN 0.494 nan 8.310 nan 0.000 0.448 461 E N 0.980 121.068 120.200 -0.187 0.000 2.077 461 E HA -0.067 4.274 4.350 -0.015 0.000 0.193 461 E C 2.034 178.509 176.600 -0.208 0.000 0.989 461 E CA 0.751 57.035 56.400 -0.193 0.000 0.800 461 E CB -0.484 29.137 29.700 -0.132 0.000 0.746 461 E HN 0.502 nan 8.360 nan 0.000 0.452 462 I N 0.882 121.347 120.570 -0.176 0.000 2.264 462 I HA -0.294 3.867 4.170 -0.015 0.000 0.248 462 I C 2.361 178.350 176.117 -0.213 0.000 1.111 462 I CA 0.802 62.006 61.300 -0.160 0.000 1.382 462 I CB -0.155 37.784 38.000 -0.101 0.000 1.060 462 I HN 0.072 nan 8.210 nan 0.000 0.418 463 L N 0.123 121.182 121.223 -0.274 0.000 2.046 463 L HA -0.242 4.089 4.340 -0.015 0.000 0.208 463 L C 2.483 179.227 176.870 -0.210 0.000 1.077 463 L CA 1.574 56.260 54.840 -0.257 0.000 0.747 463 L CB -0.579 41.392 42.059 -0.147 0.000 0.896 463 L HN 0.190 nan 8.230 nan 0.000 0.432 464 K N -0.105 120.096 120.400 -0.331 0.000 2.155 464 K HA -0.125 4.186 4.320 -0.015 0.000 0.203 464 K C 2.094 178.486 176.600 -0.345 0.000 1.052 464 K CA 0.971 56.921 56.287 -0.561 0.000 0.948 464 K CB 0.050 31.955 32.500 -0.992 0.000 0.728 464 K HN 0.231 nan 8.250 nan 0.000 0.448 465 K N -0.237 120.014 120.400 -0.248 0.000 2.243 465 K HA 0.012 4.324 4.320 -0.015 0.000 0.201 465 K C 1.192 177.732 176.600 -0.100 0.000 1.051 465 K CA 0.955 57.153 56.287 -0.149 0.000 0.970 465 K CB 0.460 32.883 32.500 -0.128 0.000 0.755 465 K HN 0.081 nan 8.250 nan 0.000 0.465 466 T N 0.283 114.766 114.554 -0.119 0.000 2.638 466 T HA 0.066 4.407 4.350 -0.015 0.000 0.169 466 T C 1.447 176.090 174.700 -0.094 0.000 0.790 466 T CA -0.432 61.611 62.100 -0.095 0.000 1.151 466 T CB -0.483 68.320 68.868 -0.108 0.000 2.581 466 T HN -0.087 nan 8.240 nan 0.000 0.391 467 I N 1.023 121.474 120.570 -0.199 0.000 2.147 467 I HA -0.215 3.946 4.170 -0.015 0.000 0.245 467 I C 0.924 176.951 176.117 -0.151 0.000 1.059 467 I CA 1.976 63.084 61.300 -0.319 0.000 1.320 467 I CB -0.190 37.384 38.000 -0.709 0.000 1.021 467 I HN 0.408 nan 8.210 nan 0.000 0.415 468 F N -0.569 119.454 119.950 0.121 0.000 2.708 468 F HA 0.199 4.717 4.527 -0.015 0.000 0.300 468 F C 1.805 177.717 175.800 0.187 0.000 1.118 468 F CA -0.502 57.652 58.000 0.257 0.000 1.307 468 F CB -0.164 39.006 39.000 0.283 0.000 0.986 468 F HN -0.108 nan 8.300 nan 0.000 0.522 469 K N 1.167 121.686 120.400 0.198 0.000 2.015 469 K HA -0.244 4.067 4.320 -0.015 0.000 0.216 469 K C 1.354 178.024 176.600 0.116 0.000 1.052 469 K CA 2.357 58.703 56.287 0.099 0.000 0.937 469 K CB -0.143 32.379 32.500 0.036 0.000 0.719 469 K HN 0.226 nan 8.250 nan 0.000 0.446 470 D N -0.198 120.240 120.400 0.063 0.000 2.133 470 D HA -0.190 4.441 4.640 -0.015 0.000 0.195 470 D C 1.878 178.095 176.300 -0.138 0.000 0.997 470 D CA 1.366 55.279 54.000 -0.146 0.000 0.840 470 D CB -0.392 40.226 40.800 -0.302 0.000 0.947 470 D HN 0.254 nan 8.370 nan 0.000 0.452 471 F N -0.211 119.834 119.950 0.159 0.000 2.234 471 F HA -0.148 4.370 4.527 -0.015 0.000 0.299 471 F C 2.340 178.312 175.800 0.287 0.000 1.087 471 F CA 0.510 58.690 58.000 0.300 0.000 1.340 471 F CB -0.570 38.694 39.000 0.439 0.000 1.031 471 F HN -0.030 nan 8.300 nan 0.000 0.500 472 Y N 1.314 121.593 120.300 -0.035 0.000 2.200 472 Y HA -0.160 4.381 4.550 -0.015 0.000 0.290 472 Y C 2.108 177.983 175.900 -0.041 0.000 1.137 472 Y CA 1.539 59.414 58.100 -0.375 0.000 1.163 472 Y CB -0.611 37.464 38.460 -0.641 0.000 0.988 472 Y HN 0.117 nan 8.280 nan 0.000 0.518 473 E N -0.098 120.044 120.200 -0.096 0.000 2.150 473 E HA -0.188 4.153 4.350 -0.015 0.000 0.193 473 E C 2.226 178.883 176.600 0.094 0.000 0.985 473 E CA 0.952 57.310 56.400 -0.069 0.000 0.814 473 E CB -0.172 29.538 29.700 0.016 0.000 0.752 473 E HN 0.447 nan 8.360 nan 0.000 0.466 474 L N 0.768 122.088 121.223 0.161 0.000 2.068 474 L HA -0.060 4.271 4.340 -0.015 0.000 0.204 474 L C 0.151 177.105 176.870 0.139 0.000 1.076 474 L CA 1.434 56.407 54.840 0.222 0.000 0.753 474 L CB 0.171 42.364 42.059 0.224 0.000 0.910 474 L HN 0.052 nan 8.230 nan 0.000 0.439 475 E N 0.143 120.419 120.200 0.125 0.000 3.132 475 E HA 0.169 4.510 4.350 -0.015 0.000 0.241 475 E C -1.999 174.535 176.600 -0.110 0.000 1.196 475 E CA -1.398 54.973 56.400 -0.048 0.000 0.869 475 E CB 0.986 30.628 29.700 -0.098 0.000 1.387 475 E HN 0.190 nan 8.360 nan 0.000 0.393 476 P HA -0.254 nan 4.420 nan 0.000 0.219 476 P C 1.224 178.613 177.300 0.148 0.000 1.146 476 P CA 1.419 64.413 63.100 -0.177 0.000 0.808 476 P CB -0.069 31.401 31.700 -0.383 0.000 0.779 477 H N 0.378 119.553 119.070 0.176 0.000 2.421 477 H HA 0.030 4.577 4.556 -0.015 0.000 0.298 477 H C 1.607 177.036 175.328 0.169 0.000 1.087 477 H CA 0.923 57.066 56.048 0.158 0.000 1.330 477 H CB -0.772 29.052 29.762 0.103 0.000 1.388 477 H HN 0.133 nan 8.280 nan 0.000 0.526 478 K N 0.453 120.765 120.400 -0.146 0.000 2.147 478 K HA -0.010 4.301 4.320 -0.015 0.000 0.205 478 K C 0.002 176.498 176.600 -0.173 0.000 1.049 478 K CA 0.575 56.771 56.287 -0.152 0.000 0.936 478 K CB -0.028 32.238 32.500 -0.389 0.000 0.722 478 K HN 0.118 nan 8.250 nan 0.000 0.446 479 F N 1.681 121.660 119.950 0.049 0.000 2.438 479 F HA 0.136 4.654 4.527 -0.015 0.000 0.356 479 F C 0.580 176.381 175.800 0.002 0.000 1.099 479 F CA -0.277 57.748 58.000 0.041 0.000 1.185 479 F CB 0.849 39.920 39.000 0.118 0.000 1.115 479 F HN -0.032 nan 8.300 nan 0.000 0.526 480 Q N 1.786 121.623 119.800 0.062 0.000 2.991 480 Q HA 0.442 4.773 4.340 -0.015 0.000 0.322 480 Q C -1.221 174.737 176.000 -0.071 0.000 0.978 480 Q CA -1.374 54.417 55.803 -0.021 0.000 0.787 480 Q CB 2.641 31.318 28.738 -0.103 0.000 1.492 480 Q HN 0.630 nan 8.270 nan 0.000 0.498 481 N N 0.079 118.711 118.700 -0.113 0.000 2.242 481 N HA 0.276 5.007 4.740 -0.015 0.000 0.292 481 N C -1.689 173.716 175.510 -0.175 0.000 1.125 481 N CA -0.411 52.569 53.050 -0.116 0.000 0.783 481 N CB 1.562 40.004 38.487 -0.076 0.000 1.558 481 N HN 0.334 nan 8.380 nan 0.000 0.472 482 K N 2.521 122.828 120.400 -0.155 0.000 2.803 482 K HA 0.172 4.483 4.320 -0.015 0.000 0.229 482 K C -1.052 175.558 176.600 0.016 0.000 1.084 482 K CA -0.452 55.719 56.287 -0.192 0.000 1.063 482 K CB 1.118 33.284 32.500 -0.555 0.000 1.254 482 K HN 0.571 nan 8.250 nan 0.000 0.551 483 T N 2.004 116.584 114.554 0.044 0.000 2.871 483 T HA 0.024 4.365 4.350 -0.015 0.000 0.296 483 T C 0.755 175.585 174.700 0.216 0.000 0.998 483 T CA 0.452 62.630 62.100 0.130 0.000 1.162 483 T CB 0.166 69.114 68.868 0.133 0.000 0.947 483 T HN 0.340 nan 8.240 nan 0.000 0.536 484 N N 0.809 119.657 118.700 0.247 0.000 2.307 484 N HA 0.388 5.119 4.740 -0.015 0.000 0.230 484 N C 0.584 176.282 175.510 0.313 0.000 1.297 484 N CA -0.173 53.058 53.050 0.302 0.000 0.884 484 N CB 0.410 39.019 38.487 0.203 0.000 1.115 484 N HN 0.761 nan 8.380 nan 0.000 0.436 485 G N -0.572 108.426 108.800 0.331 0.000 2.788 485 G HA2 0.687 4.638 3.960 -0.015 0.000 0.293 485 G HA3 0.687 4.638 3.960 -0.015 0.000 0.293 485 G C -1.331 173.713 174.900 0.241 0.000 1.392 485 G CA -0.726 44.553 45.100 0.298 0.000 0.810 485 G HN 0.606 nan 8.290 nan 0.000 0.508 486 I N -2.884 117.817 120.570 0.218 0.000 3.095 486 I HA 0.753 4.914 4.170 -0.015 0.000 0.310 486 I C -0.385 175.896 176.117 0.274 0.000 1.196 486 I CA -1.027 60.400 61.300 0.211 0.000 0.985 486 I CB 2.336 40.360 38.000 0.040 0.000 1.250 486 I HN 0.525 nan 8.210 nan 0.000 0.446 487 T N 2.845 117.621 114.554 0.369 0.000 2.749 487 T HA 0.421 4.762 4.350 -0.015 0.000 0.295 487 T C -1.523 173.290 174.700 0.188 0.000 0.936 487 T CA -1.807 60.425 62.100 0.219 0.000 1.060 487 T CB 0.920 69.860 68.868 0.119 0.000 0.904 487 T HN 0.598 nan 8.240 nan 0.000 0.500 488 P HA -0.065 nan 4.420 nan 0.000 0.219 488 P C 1.262 178.533 177.300 -0.047 0.000 1.146 488 P CA 0.740 63.871 63.100 0.051 0.000 0.808 488 P CB 0.297 31.997 31.700 0.001 0.000 0.779 489 R N 0.159 120.578 120.500 -0.135 0.000 2.082 489 R HA -0.061 4.270 4.340 -0.015 0.000 0.228 489 R C 2.718 178.899 176.300 -0.198 0.000 1.140 489 R CA 1.743 57.725 56.100 -0.197 0.000 0.920 489 R CB -1.296 28.890 30.300 -0.191 0.000 0.828 489 R HN 0.102 nan 8.270 nan 0.000 0.430 490 R N -0.755 119.569 120.500 -0.294 0.000 2.090 490 R HA -0.098 4.233 4.340 -0.015 0.000 0.228 490 R C 1.100 177.044 176.300 -0.594 0.000 1.110 490 R CA 1.430 57.211 56.100 -0.532 0.000 0.973 490 R CB -0.174 29.640 30.300 -0.811 0.000 0.869 490 R HN 0.307 nan 8.270 nan 0.000 0.440 491 W N 0.256 121.512 121.300 -0.074 0.000 3.405 491 W HA 0.132 4.782 4.660 -0.016 0.000 0.300 491 W C 0.891 177.376 176.519 -0.056 0.000 1.286 491 W CA -0.666 56.634 57.345 -0.075 0.000 1.762 491 W CB 0.389 29.811 29.460 -0.063 0.000 1.087 491 W HN 0.250 nan 8.180 nan 0.000 0.703 492 L N -2.572 118.703 121.223 0.086 0.000 2.455 492 L HA 0.148 4.479 4.340 -0.015 0.000 0.138 492 L C 1.704 178.586 176.870 0.020 0.000 1.398 492 L CA 0.624 55.511 54.840 0.079 0.000 0.998 492 L CB -0.845 41.282 42.059 0.112 0.000 1.985 492 L HN -0.276 nan 8.230 nan 0.000 0.493 493 V N 1.392 121.295 119.914 -0.018 0.000 2.380 493 V HA -0.275 3.836 4.120 -0.015 0.000 0.251 493 V C 2.435 178.498 176.094 -0.052 0.000 1.063 493 V CA 2.546 64.823 62.300 -0.038 0.000 1.055 493 V CB -0.744 31.026 31.823 -0.089 0.000 0.657 493 V HN 0.520 nan 8.190 nan 0.000 0.455 494 L N 0.287 121.451 121.223 -0.097 0.000 2.049 494 L HA -0.146 4.185 4.340 -0.015 0.000 0.203 494 L C 2.556 179.365 176.870 -0.101 0.000 1.074 494 L CA 2.160 56.928 54.840 -0.119 0.000 0.749 494 L CB -0.237 41.700 42.059 -0.204 0.000 0.907 494 L HN 0.628 nan 8.230 nan 0.000 0.439 495 C N -1.866 117.369 119.300 -0.107 0.000 2.485 495 C HA 0.143 4.594 4.460 -0.015 0.000 0.277 495 C C 1.340 176.315 174.990 -0.025 0.000 1.376 495 C CA -0.216 58.760 59.018 -0.071 0.000 1.759 495 C CB -1.033 26.674 27.740 -0.056 0.000 1.970 495 C HN 0.547 nan 8.230 nan 0.000 0.509 496 N N 1.363 120.059 118.700 -0.007 0.000 2.757 496 N HA 0.289 5.020 4.740 -0.015 0.000 0.296 496 N C -1.684 173.837 175.510 0.018 0.000 1.874 496 N CA -1.731 51.325 53.050 0.011 0.000 0.885 496 N CB 0.621 39.123 38.487 0.025 0.000 1.242 496 N HN 0.283 nan 8.380 nan 0.000 0.488 497 P HA -0.087 nan 4.420 nan 0.000 0.216 497 P C 1.423 178.738 177.300 0.025 0.000 1.150 497 P CA 1.028 64.138 63.100 0.017 0.000 0.837 497 P CB 0.208 31.912 31.700 0.006 0.000 0.786 498 G N 0.684 109.494 108.800 0.017 0.000 2.446 498 G HA2 -0.268 3.683 3.960 -0.015 0.000 0.217 498 G HA3 -0.268 3.683 3.960 -0.015 0.000 0.217 498 G C 1.533 176.441 174.900 0.014 0.000 1.168 498 G CA 0.877 45.984 45.100 0.013 0.000 0.771 498 G HN 0.273 nan 8.290 nan 0.000 0.551 499 L N 1.272 122.504 121.223 0.015 0.000 2.093 499 L HA 0.245 4.576 4.340 -0.015 0.000 0.208 499 L C 2.985 179.885 176.870 0.051 0.000 1.085 499 L CA 1.999 56.846 54.840 0.012 0.000 0.755 499 L CB -0.654 41.415 42.059 0.015 0.000 0.904 499 L HN 0.231 nan 8.230 nan 0.000 0.435 500 A N -0.859 122.011 122.820 0.085 0.000 1.969 500 A HA -0.196 4.115 4.320 -0.015 0.000 0.218 500 A C 2.217 179.897 177.584 0.159 0.000 1.169 500 A CA 1.514 53.650 52.037 0.166 0.000 0.635 500 A CB -0.564 18.522 19.000 0.145 0.000 0.810 500 A HN 0.530 nan 8.150 nan 0.000 0.445 501 E N 0.964 121.219 120.200 0.092 0.000 2.028 501 E HA -0.170 4.171 4.350 -0.015 0.000 0.191 501 E C 1.883 178.527 176.600 0.073 0.000 0.988 501 E CA 1.692 58.137 56.400 0.075 0.000 0.799 501 E CB -0.524 29.202 29.700 0.044 0.000 0.755 501 E HN 0.711 nan 8.360 nan 0.000 0.447 502 I N -1.499 119.108 120.570 0.062 0.000 2.286 502 I HA -0.173 3.988 4.170 -0.015 0.000 0.248 502 I C 2.227 178.427 176.117 0.138 0.000 1.115 502 I CA 1.255 62.608 61.300 0.087 0.000 1.392 502 I CB -0.439 37.589 38.000 0.046 0.000 1.065 502 I HN 0.041 nan 8.210 nan 0.000 0.418 503 I N 2.081 122.712 120.570 0.102 0.000 2.179 503 I HA -0.229 3.932 4.170 -0.015 0.000 0.242 503 I C 3.038 179.111 176.117 -0.073 0.000 1.088 503 I CA 1.479 62.772 61.300 -0.011 0.000 1.357 503 I CB -0.459 37.431 38.000 -0.184 0.000 1.051 503 I HN 0.314 nan 8.210 nan 0.000 0.409 504 A N 0.141 123.007 122.820 0.078 0.000 1.972 504 A HA -0.228 4.083 4.320 -0.015 0.000 0.219 504 A C 2.167 179.779 177.584 0.048 0.000 1.169 504 A CA 1.569 53.696 52.037 0.150 0.000 0.635 504 A CB -0.576 18.551 19.000 0.212 0.000 0.810 504 A HN 0.433 nan 8.150 nan 0.000 0.446 505 E N -0.636 119.578 120.200 0.024 0.000 2.160 505 E HA -0.202 4.139 4.350 -0.015 0.000 0.195 505 E C 2.275 178.841 176.600 -0.057 0.000 0.991 505 E CA 1.244 57.644 56.400 0.001 0.000 0.810 505 E CB -0.015 29.696 29.700 0.017 0.000 0.742 505 E HN 0.543 nan 8.360 nan 0.000 0.466 506 R N -0.040 120.366 120.500 -0.157 0.000 2.087 506 R HA 0.072 4.403 4.340 -0.015 0.000 0.216 506 R C 2.325 178.505 176.300 -0.200 0.000 1.114 506 R CA 0.895 56.809 56.100 -0.310 0.000 1.002 506 R CB -0.314 29.470 30.300 -0.861 0.000 0.903 506 R HN 0.280 nan 8.270 nan 0.000 0.445 507 I N -2.336 118.127 120.570 -0.178 0.000 4.025 507 I HA 0.447 4.608 4.170 -0.015 0.000 0.336 507 I C 0.493 176.630 176.117 0.034 0.000 1.390 507 I CA 0.082 61.339 61.300 -0.072 0.000 1.099 507 I CB 0.875 38.807 38.000 -0.114 0.000 1.049 507 I HN 0.227 nan 8.210 nan 0.000 0.394 508 G N 1.769 110.608 108.800 0.065 0.000 2.660 508 G HA2 -0.196 3.755 3.960 -0.015 0.000 0.247 508 G HA3 -0.196 3.755 3.960 -0.015 0.000 0.247 508 G C -0.053 174.992 174.900 0.242 0.000 1.328 508 G CA 0.128 45.300 45.100 0.120 0.000 0.884 508 G HN 0.383 nan 8.290 nan 0.000 0.531 509 E N -0.538 119.753 120.200 0.153 0.000 2.431 509 E HA 0.082 4.423 4.350 -0.015 0.000 0.200 509 E C 1.841 178.413 176.600 -0.046 0.000 0.995 509 E CA -0.017 56.414 56.400 0.051 0.000 0.915 509 E CB 0.245 29.959 29.700 0.023 0.000 0.930 509 E HN 0.466 nan 8.360 nan 0.000 0.496 510 E N 0.645 120.882 120.200 0.061 0.000 2.331 510 E HA -0.187 4.154 4.350 -0.015 0.000 0.199 510 E C 1.540 178.156 176.600 0.025 0.000 1.008 510 E CA 0.836 57.260 56.400 0.041 0.000 0.843 510 E CB 0.008 29.748 29.700 0.067 0.000 0.761 510 E HN 0.508 nan 8.360 nan 0.000 0.507 511 Y N -1.300 119.002 120.300 0.003 0.000 2.509 511 Y HA -0.028 4.514 4.550 -0.013 0.000 0.293 511 Y C 1.847 177.722 175.900 -0.041 0.000 1.133 511 Y CA 0.251 58.345 58.100 -0.010 0.000 1.283 511 Y CB -0.356 38.101 38.460 -0.005 0.000 1.001 511 Y HN -0.096 nan 8.280 nan 0.000 0.555 512 I N 1.223 121.331 120.570 -0.770 0.000 2.335 512 I HA -0.217 3.944 4.170 -0.015 0.000 0.251 512 I C 1.609 177.478 176.117 -0.414 0.000 1.129 512 I CA 1.802 62.691 61.300 -0.685 0.000 1.402 512 I CB -1.319 36.192 38.000 -0.815 0.000 1.069 512 I HN 0.518 nan 8.210 nan 0.000 0.424 513 S N -1.484 114.075 115.700 -0.234 0.000 2.650 513 S HA 0.202 4.663 4.470 -0.015 0.000 0.240 513 S C 0.237 174.823 174.600 -0.024 0.000 1.007 513 S CA -0.421 57.719 58.200 -0.100 0.000 0.984 513 S CB 0.362 63.574 63.200 0.020 0.000 0.910 513 S HN 0.307 nan 8.310 nan 0.000 0.509 514 D N 0.871 121.266 120.400 -0.009 0.000 3.118 514 D HA 0.218 4.849 4.640 -0.015 0.000 0.259 514 D C 0.606 176.955 176.300 0.081 0.000 1.292 514 D CA -0.343 53.678 54.000 0.035 0.000 0.784 514 D CB -0.094 40.732 40.800 0.043 0.000 1.413 514 D HN 0.109 nan 8.370 nan 0.000 0.583 515 L N 0.484 121.755 121.223 0.080 0.000 2.349 515 L HA -0.120 4.211 4.340 -0.015 0.000 0.220 515 L C 1.035 177.960 176.870 0.092 0.000 1.130 515 L CA 1.147 56.063 54.840 0.128 0.000 0.791 515 L CB 0.080 42.203 42.059 0.107 0.000 0.918 515 L HN 0.310 nan 8.230 nan 0.000 0.444 516 D N -0.337 120.094 120.400 0.052 0.000 2.178 516 D HA -0.201 4.430 4.640 -0.015 0.000 0.201 516 D C 1.997 178.318 176.300 0.034 0.000 0.980 516 D CA 0.864 54.879 54.000 0.024 0.000 0.842 516 D CB 0.013 40.817 40.800 0.005 0.000 0.948 516 D HN 0.461 nan 8.370 nan 0.000 0.472 517 Q N -0.133 119.704 119.800 0.061 0.000 2.443 517 Q HA -0.127 4.204 4.340 -0.015 0.000 0.213 517 Q C 1.680 177.690 176.000 0.016 0.000 0.982 517 Q CA 0.171 56.008 55.803 0.056 0.000 0.894 517 Q CB 0.055 28.856 28.738 0.105 0.000 0.947 517 Q HN 0.184 nan 8.270 nan 0.000 0.480 518 L N 0.507 121.735 121.223 0.009 0.000 2.362 518 L HA -0.144 4.188 4.340 -0.015 0.000 0.219 518 L C 2.027 178.885 176.870 -0.021 0.000 1.134 518 L CA 1.437 56.245 54.840 -0.052 0.000 0.807 518 L CB -0.445 41.603 42.059 -0.018 0.000 0.927 518 L HN 0.132 nan 8.230 nan 0.000 0.447 519 R N -0.399 120.103 120.500 0.003 0.000 2.127 519 R HA -0.177 4.154 4.340 -0.015 0.000 0.238 519 R C 1.934 178.241 176.300 0.011 0.000 1.134 519 R CA 1.037 57.142 56.100 0.009 0.000 0.975 519 R CB -0.223 30.080 30.300 0.005 0.000 0.865 519 R HN 0.410 nan 8.270 nan 0.000 0.447 520 K N 0.629 121.034 120.400 0.009 0.000 2.360 520 K HA -0.108 4.203 4.320 -0.015 0.000 0.201 520 K C 1.859 178.509 176.600 0.084 0.000 1.046 520 K CA 0.765 57.071 56.287 0.032 0.000 0.940 520 K CB -0.082 32.438 32.500 0.033 0.000 0.748 520 K HN 0.251 nan 8.250 nan 0.000 0.465 521 L N 0.554 121.798 121.223 0.034 0.000 2.376 521 L HA -0.126 4.205 4.340 -0.015 0.000 0.219 521 L C 1.925 178.867 176.870 0.120 0.000 1.133 521 L CA 0.066 54.933 54.840 0.044 0.000 0.816 521 L CB -0.206 41.838 42.059 -0.025 0.000 0.933 521 L HN 0.148 nan 8.230 nan 0.000 0.449 522 L N 0.220 121.484 121.223 0.068 0.000 2.079 522 L HA -0.214 4.117 4.340 -0.015 0.000 0.210 522 L C 2.720 179.592 176.870 0.003 0.000 1.081 522 L CA 2.107 56.972 54.840 0.042 0.000 0.752 522 L CB -0.947 41.120 42.059 0.014 0.000 0.896 522 L HN 0.351 nan 8.230 nan 0.000 0.433 523 S N -2.594 113.070 115.700 -0.061 0.000 2.660 523 S HA -0.102 4.359 4.470 -0.015 0.000 0.228 523 S C 1.175 175.504 174.600 -0.452 0.000 0.966 523 S CA 0.373 58.429 58.200 -0.240 0.000 0.940 523 S CB -0.612 62.398 63.200 -0.318 0.000 0.773 523 S HN 0.498 nan 8.310 nan 0.000 0.535 524 Y N -0.830 119.395 120.300 -0.125 0.000 2.500 524 Y HA 0.414 4.962 4.550 -0.004 0.000 0.246 524 Y C 1.898 177.812 175.900 0.023 0.000 1.146 524 Y CA -0.541 57.473 58.100 -0.143 0.000 1.230 524 Y CB 0.247 38.408 38.460 -0.499 0.000 1.214 524 Y HN 0.254 nan 8.280 nan 0.000 0.526 525 V N 0.559 120.552 119.914 0.132 0.000 2.828 525 V HA -0.231 3.880 4.120 -0.015 0.000 0.260 525 V C 0.813 176.973 176.094 0.109 0.000 1.101 525 V CA 2.288 64.671 62.300 0.140 0.000 1.123 525 V CB -0.060 31.809 31.823 0.076 0.000 0.704 525 V HN 0.375 nan 8.190 nan 0.000 0.493 526 D N -1.096 119.347 120.400 0.072 0.000 2.469 526 D HA 0.122 4.753 4.640 -0.015 0.000 0.213 526 D C 0.325 176.667 176.300 0.070 0.000 1.135 526 D CA -0.102 53.930 54.000 0.054 0.000 0.834 526 D CB 0.163 40.971 40.800 0.013 0.000 1.009 526 D HN 0.424 nan 8.370 nan 0.000 0.507 527 D N 1.662 122.134 120.400 0.119 0.000 2.358 527 D HA -0.044 4.587 4.640 -0.015 0.000 0.258 527 D C 1.255 177.656 176.300 0.168 0.000 1.223 527 D CA 0.097 54.188 54.000 0.151 0.000 0.886 527 D CB 1.560 42.516 40.800 0.259 0.000 1.120 527 D HN -0.228 nan 8.370 nan 0.000 0.482 528 E N 3.451 123.718 120.200 0.112 0.000 2.077 528 E HA -0.149 4.192 4.350 -0.015 0.000 0.193 528 E C 1.683 178.344 176.600 0.101 0.000 0.989 528 E CA 1.424 57.878 56.400 0.089 0.000 0.800 528 E CB -0.240 29.495 29.700 0.058 0.000 0.746 528 E HN 0.608 nan 8.360 nan 0.000 0.452 529 A N -0.162 122.733 122.820 0.125 0.000 1.855 529 A HA -0.150 4.161 4.320 -0.015 0.000 0.215 529 A C 2.325 180.005 177.584 0.160 0.000 1.191 529 A CA 1.376 53.486 52.037 0.121 0.000 0.613 529 A CB -1.119 17.956 19.000 0.126 0.000 0.829 529 A HN 0.381 nan 8.150 nan 0.000 0.442 530 F N 0.484 120.461 119.950 0.046 0.000 2.043 530 F HA -0.254 4.266 4.527 -0.013 0.000 0.297 530 F C 2.166 177.981 175.800 0.025 0.000 1.121 530 F CA 1.999 60.015 58.000 0.027 0.000 1.199 530 F CB -0.209 38.826 39.000 0.060 0.000 0.968 530 F HN 0.182 nan 8.300 nan 0.000 0.478 531 I N 0.075 120.710 120.570 0.107 0.000 2.185 531 I HA -0.415 3.746 4.170 -0.015 0.000 0.246 531 I C 2.553 178.632 176.117 -0.063 0.000 1.088 531 I CA 1.873 63.172 61.300 -0.002 0.000 1.347 531 I CB -0.543 37.494 38.000 0.062 0.000 1.041 531 I HN 0.156 nan 8.210 nan 0.000 0.415 532 R N 0.792 121.276 120.500 -0.026 0.000 2.081 532 R HA -0.190 4.141 4.340 -0.015 0.000 0.235 532 R C 1.916 178.171 176.300 -0.075 0.000 1.131 532 R CA 1.907 57.986 56.100 -0.035 0.000 0.960 532 R CB -0.123 30.174 30.300 -0.005 0.000 0.856 532 R HN 0.289 nan 8.270 nan 0.000 0.436 533 D N -0.394 119.940 120.400 -0.111 0.000 2.084 533 D HA -0.122 4.509 4.640 -0.015 0.000 0.196 533 D C 1.950 178.116 176.300 -0.223 0.000 0.985 533 D CA 1.326 55.238 54.000 -0.147 0.000 0.826 533 D CB -0.300 40.416 40.800 -0.140 0.000 0.978 533 D HN 0.053 nan 8.370 nan 0.000 0.456 534 V N 1.507 121.184 119.914 -0.395 0.000 2.282 534 V HA -0.293 3.818 4.120 -0.015 0.000 0.249 534 V C 2.504 178.501 176.094 -0.161 0.000 1.057 534 V CA 2.037 64.123 62.300 -0.356 0.000 1.032 534 V CB -0.843 30.713 31.823 -0.445 0.000 0.645 534 V HN 0.208 nan 8.190 nan 0.000 0.447 535 A N -0.783 121.965 122.820 -0.120 0.000 1.972 535 A HA -0.264 4.047 4.320 -0.015 0.000 0.219 535 A C 2.356 179.907 177.584 -0.055 0.000 1.169 535 A CA 2.149 54.152 52.037 -0.057 0.000 0.635 535 A CB -0.458 18.515 19.000 -0.045 0.000 0.810 535 A HN 0.544 nan 8.150 nan 0.000 0.446 536 K N 0.072 120.432 120.400 -0.067 0.000 2.025 536 K HA -0.107 4.204 4.320 -0.015 0.000 0.207 536 K C 2.022 178.598 176.600 -0.041 0.000 1.049 536 K CA 1.718 57.976 56.287 -0.049 0.000 0.933 536 K CB -0.372 32.101 32.500 -0.045 0.000 0.714 536 K HN 0.429 nan 8.250 nan 0.000 0.438 537 V N 0.003 119.887 119.914 -0.050 0.000 2.343 537 V HA -0.197 3.914 4.120 -0.015 0.000 0.247 537 V C 2.202 178.285 176.094 -0.018 0.000 1.051 537 V CA 2.102 64.383 62.300 -0.032 0.000 1.036 537 V CB -0.678 31.122 31.823 -0.039 0.000 0.654 537 V HN 0.208 nan 8.190 nan 0.000 0.451 538 K N 0.585 120.972 120.400 -0.021 0.000 2.147 538 K HA -0.183 4.128 4.320 -0.015 0.000 0.205 538 K C 2.242 178.828 176.600 -0.024 0.000 1.049 538 K CA 2.025 58.310 56.287 -0.003 0.000 0.936 538 K CB -0.593 31.921 32.500 0.023 0.000 0.722 538 K HN 0.582 nan 8.250 nan 0.000 0.446 539 Q N 1.009 120.787 119.800 -0.036 0.000 2.083 539 Q HA -0.058 4.273 4.340 -0.015 0.000 0.198 539 Q C 1.609 177.592 176.000 -0.029 0.000 0.969 539 Q CA 1.813 57.585 55.803 -0.052 0.000 0.838 539 Q CB -0.053 28.656 28.738 -0.048 0.000 0.900 539 Q HN 0.510 nan 8.270 nan 0.000 0.436 540 E N -0.466 119.729 120.200 -0.010 0.000 2.077 540 E HA -0.151 4.190 4.350 -0.015 0.000 0.193 540 E C 1.725 178.347 176.600 0.037 0.000 0.989 540 E CA 0.973 57.381 56.400 0.012 0.000 0.800 540 E CB -0.020 29.686 29.700 0.010 0.000 0.746 540 E HN 0.374 nan 8.360 nan 0.000 0.452 541 N N 0.918 119.639 118.700 0.034 0.000 2.120 541 N HA -0.148 4.583 4.740 -0.015 0.000 0.188 541 N C 1.476 177.058 175.510 0.121 0.000 1.024 541 N CA 1.104 54.193 53.050 0.065 0.000 0.852 541 N CB -0.089 38.423 38.487 0.042 0.000 1.003 541 N HN 0.118 nan 8.380 nan 0.000 0.424 542 K N 0.406 120.843 120.400 0.062 0.000 2.097 542 K HA 0.003 4.314 4.320 -0.015 0.000 0.205 542 K C 2.055 178.750 176.600 0.159 0.000 1.050 542 K CA 0.630 56.956 56.287 0.064 0.000 0.938 542 K CB -0.123 32.185 32.500 -0.319 0.000 0.718 542 K HN 0.128 nan 8.250 nan 0.000 0.442 543 L N 1.000 122.274 121.223 0.085 0.000 2.056 543 L HA -0.151 4.181 4.340 -0.015 0.000 0.207 543 L C 2.574 179.529 176.870 0.141 0.000 1.078 543 L CA 1.101 55.998 54.840 0.095 0.000 0.749 543 L CB -0.235 41.857 42.059 0.055 0.000 0.901 543 L HN 0.087 nan 8.230 nan 0.000 0.433 544 K N -0.436 120.058 120.400 0.156 0.000 2.097 544 K HA -0.188 4.123 4.320 -0.015 0.000 0.205 544 K C 2.164 178.919 176.600 0.259 0.000 1.050 544 K CA 1.452 57.844 56.287 0.175 0.000 0.938 544 K CB -0.164 32.426 32.500 0.150 0.000 0.718 544 K HN 0.117 nan 8.250 nan 0.000 0.442 545 F N 1.411 121.450 119.950 0.148 0.000 2.163 545 F HA -0.064 4.454 4.527 -0.015 0.000 0.297 545 F C 2.101 178.038 175.800 0.228 0.000 1.094 545 F CA 1.117 59.223 58.000 0.176 0.000 1.290 545 F CB -0.524 38.582 39.000 0.176 0.000 1.017 545 F HN -0.001 nan 8.300 nan 0.000 0.483 546 A N 0.157 123.108 122.820 0.217 0.000 1.978 546 A HA -0.092 4.219 4.320 -0.015 0.000 0.220 546 A C 2.373 179.959 177.584 0.004 0.000 1.170 546 A CA 1.886 53.970 52.037 0.080 0.000 0.636 546 A CB -1.422 17.674 19.000 0.160 0.000 0.810 546 A HN 0.473 nan 8.150 nan 0.000 0.448 547 A N -1.360 121.499 122.820 0.064 0.000 1.855 547 A HA 0.011 4.322 4.320 -0.015 0.000 0.213 547 A C 2.096 179.702 177.584 0.037 0.000 1.195 547 A CA 1.413 53.486 52.037 0.059 0.000 0.610 547 A CB -0.971 18.081 19.000 0.087 0.000 0.837 547 A HN 0.758 nan 8.150 nan 0.000 0.444 548 Y N 0.310 120.570 120.300 -0.067 0.000 2.139 548 Y HA -0.266 4.275 4.550 -0.015 0.000 0.282 548 Y C 1.895 177.719 175.900 -0.126 0.000 1.179 548 Y CA 1.897 59.950 58.100 -0.078 0.000 1.161 548 Y CB -0.416 38.018 38.460 -0.044 0.000 0.970 548 Y HN 0.196 nan 8.280 nan 0.000 0.511 549 L N 0.891 122.073 121.223 -0.069 0.000 2.012 549 L HA -0.237 4.094 4.340 -0.015 0.000 0.210 549 L C 2.396 179.222 176.870 -0.073 0.000 1.073 549 L CA 2.193 56.971 54.840 -0.103 0.000 0.748 549 L CB -1.105 40.813 42.059 -0.234 0.000 0.891 549 L HN 0.362 nan 8.230 nan 0.000 0.431 550 E N -1.653 118.510 120.200 -0.061 0.000 2.208 550 E HA -0.149 4.192 4.350 -0.015 0.000 0.193 550 E C 2.270 178.824 176.600 -0.077 0.000 0.988 550 E CA 0.345 56.731 56.400 -0.024 0.000 0.828 550 E CB 0.104 29.825 29.700 0.035 0.000 0.763 550 E HN 0.358 nan 8.360 nan 0.000 0.478 551 R N 0.685 121.101 120.500 -0.139 0.000 2.092 551 R HA -0.149 4.182 4.340 -0.015 0.000 0.226 551 R C 2.008 178.140 176.300 -0.280 0.000 1.140 551 R CA 1.626 57.616 56.100 -0.183 0.000 0.910 551 R CB -0.054 30.124 30.300 -0.204 0.000 0.822 551 R HN -0.019 nan 8.270 nan 0.000 0.433 552 E N -1.592 118.301 120.200 -0.512 0.000 2.299 552 E HA -0.071 4.270 4.350 -0.015 0.000 0.193 552 E C 0.776 176.936 176.600 -0.734 0.000 0.998 552 E CA 0.844 56.827 56.400 -0.695 0.000 0.851 552 E CB 0.385 29.437 29.700 -1.080 0.000 0.795 552 E HN 0.374 nan 8.360 nan 0.000 0.492 553 Y N -0.170 120.008 120.300 -0.204 0.000 2.452 553 Y HA 0.280 4.821 4.550 -0.015 0.000 0.262 553 Y C -0.366 175.502 175.900 -0.054 0.000 1.089 553 Y CA -0.434 57.611 58.100 -0.092 0.000 1.262 553 Y CB 0.795 39.219 38.460 -0.060 0.000 1.236 553 Y HN -0.339 nan 8.280 nan 0.000 0.512 554 K N 1.029 121.461 120.400 0.054 0.000 6.236 554 K HA -0.075 4.236 4.320 -0.015 0.000 0.607 554 K C -0.589 176.051 176.600 0.066 0.000 1.570 554 K CA 0.955 57.269 56.287 0.044 0.000 1.551 554 K CB -1.537 30.977 32.500 0.023 0.000 1.812 554 K HN 0.446 nan 8.250 nan 0.000 0.338 555 V N -2.583 117.375 119.914 0.073 0.000 5.829 555 V HA -0.001 4.110 4.120 -0.015 0.000 0.697 555 V C -0.115 176.057 176.094 0.129 0.000 1.997 555 V CA -0.018 62.338 62.300 0.094 0.000 3.668 555 V CB -1.180 30.693 31.823 0.084 0.000 0.116 555 V HN 1.003 nan 8.190 nan 0.000 0.567 556 H N 0.948 120.025 119.070 0.012 0.000 2.892 556 H HA -0.085 4.462 4.556 -0.015 0.000 0.274 556 H C -0.257 175.079 175.328 0.012 0.000 0.794 556 H CA 1.946 58.004 56.048 0.015 0.000 1.128 556 H CB 0.099 29.874 29.762 0.023 0.000 1.126 556 H HN 1.301 nan 8.280 nan 0.000 0.623 557 I N 0.033 120.270 120.570 -0.556 0.000 3.195 557 I HA 0.421 4.582 4.170 -0.015 0.000 0.313 557 I C -0.687 175.200 176.117 -0.384 0.000 1.237 557 I CA -1.300 59.821 61.300 -0.298 0.000 0.963 557 I CB 2.194 40.102 38.000 -0.154 0.000 1.278 557 I HN 0.608 nan 8.210 nan 0.000 0.460 558 N N 3.022 121.690 118.700 -0.053 0.000 2.469 558 N HA 0.509 5.240 4.740 -0.015 0.000 0.253 558 N C -2.204 173.386 175.510 0.134 0.000 0.970 558 N CA -2.537 50.535 53.050 0.037 0.000 0.940 558 N CB 1.555 40.089 38.487 0.079 0.000 1.128 558 N HN 0.334 nan 8.380 nan 0.000 0.503 559 P HA 0.035 nan 4.420 nan 0.000 0.234 559 P C -0.042 177.176 177.300 -0.136 0.000 1.167 559 P CA 1.006 64.082 63.100 -0.039 0.000 0.763 559 P CB 0.198 31.890 31.700 -0.013 0.000 0.835 560 N N -1.172 117.509 118.700 -0.031 0.000 2.392 560 N HA -0.002 4.729 4.740 -0.015 0.000 0.177 560 N C 0.637 176.156 175.510 0.015 0.000 1.066 560 N CA -0.075 52.964 53.050 -0.018 0.000 0.895 560 N CB 0.074 38.574 38.487 0.022 0.000 0.988 560 N HN 0.137 nan 8.380 nan 0.000 0.457 561 S N 0.327 116.042 115.700 0.025 0.000 2.617 561 S HA 0.154 4.615 4.470 -0.015 0.000 0.259 561 S C 0.089 174.641 174.600 -0.080 0.000 1.301 561 S CA -0.777 57.434 58.200 0.019 0.000 0.984 561 S CB 0.841 64.079 63.200 0.063 0.000 0.954 561 S HN 0.157 nan 8.310 nan 0.000 0.572 562 L N 1.228 122.276 121.223 -0.292 0.000 2.367 562 L HA 0.389 4.720 4.340 -0.015 0.000 0.275 562 L C -0.877 175.977 176.870 -0.027 0.000 1.129 562 L CA -0.552 53.928 54.840 -0.600 0.000 0.839 562 L CB 0.012 41.461 42.059 -1.017 0.000 1.133 562 L HN 0.705 nan 8.230 nan 0.000 0.453 563 F N 4.021 123.836 119.950 -0.224 0.000 2.377 563 F HA 0.110 4.628 4.527 -0.014 0.000 0.360 563 F C 0.360 176.091 175.800 -0.114 0.000 1.147 563 F CA -0.824 57.112 58.000 -0.106 0.000 1.170 563 F CB 0.589 39.576 39.000 -0.022 0.000 1.339 563 F HN 0.499 nan 8.300 nan 0.000 0.552 564 D N 4.709 125.099 120.400 -0.016 0.000 2.396 564 D HA 0.244 4.875 4.640 -0.015 0.000 0.225 564 D C -1.028 175.203 176.300 -0.116 0.000 1.121 564 D CA 0.088 54.036 54.000 -0.087 0.000 0.853 564 D CB 1.368 42.106 40.800 -0.103 0.000 1.043 564 D HN 0.267 nan 8.370 nan 0.000 0.500 565 V N 2.888 122.720 119.914 -0.137 0.000 2.709 565 V HA 0.560 4.671 4.120 -0.015 0.000 0.308 565 V C -1.565 174.395 176.094 -0.225 0.000 1.062 565 V CA -0.685 61.522 62.300 -0.156 0.000 0.901 565 V CB 2.026 33.799 31.823 -0.082 0.000 1.003 565 V HN 0.503 nan 8.190 nan 0.000 0.425 566 Q N 4.189 123.867 119.800 -0.203 0.000 2.320 566 Q HA 0.688 5.019 4.340 -0.015 0.000 0.268 566 Q C -1.575 174.272 176.000 -0.255 0.000 1.023 566 Q CA -0.650 55.023 55.803 -0.217 0.000 0.744 566 Q CB 1.992 30.627 28.738 -0.172 0.000 1.246 566 Q HN 1.204 nan 8.270 nan 0.000 0.462 567 V N 2.211 121.960 119.914 -0.275 0.000 2.482 567 V HA 0.848 4.959 4.120 -0.015 0.000 0.295 567 V C -0.926 174.901 176.094 -0.444 0.000 1.026 567 V CA -0.605 61.340 62.300 -0.591 0.000 0.856 567 V CB 1.327 32.548 31.823 -1.003 0.000 1.001 567 V HN 0.812 nan 8.190 nan 0.000 0.424 568 K N 2.681 122.889 120.400 -0.319 0.000 2.931 568 K HA 0.429 4.740 4.320 -0.015 0.000 0.292 568 K C -1.277 175.342 176.600 0.032 0.000 1.077 568 K CA -1.024 55.252 56.287 -0.017 0.000 0.829 568 K CB 1.054 33.535 32.500 -0.031 0.000 1.488 568 K HN 0.480 nan 8.250 nan 0.000 0.358 569 R N 0.805 121.379 120.500 0.123 0.000 2.698 569 R HA 0.171 4.502 4.340 -0.015 0.000 0.266 569 R C 0.409 176.741 176.300 0.052 0.000 1.026 569 R CA -0.309 55.867 56.100 0.127 0.000 1.102 569 R CB -0.180 30.237 30.300 0.195 0.000 0.978 569 R HN 0.470 nan 8.270 nan 0.000 0.436 570 I N 4.227 124.801 120.570 0.006 0.000 2.471 570 I HA 0.106 4.267 4.170 -0.015 0.000 0.286 570 I C 0.837 176.848 176.117 -0.177 0.000 1.079 570 I CA 0.591 61.843 61.300 -0.080 0.000 1.398 570 I CB -0.089 37.852 38.000 -0.098 0.000 1.403 570 I HN 0.304 nan 8.210 nan 0.000 0.530 571 H N 4.126 123.112 119.070 -0.140 0.000 3.008 571 H HA 0.267 4.814 4.556 -0.015 0.000 0.354 571 H C 0.325 175.560 175.328 -0.155 0.000 1.252 571 H CA -0.479 55.526 56.048 -0.071 0.000 1.117 571 H CB 2.111 31.714 29.762 -0.265 0.000 1.857 571 H HN 0.514 nan 8.280 nan 0.000 0.547 572 E N 0.713 121.021 120.200 0.180 0.000 2.112 572 E HA -0.149 4.192 4.350 -0.015 0.000 0.190 572 E C 1.436 177.821 176.600 -0.359 0.000 0.979 572 E CA 0.974 57.413 56.400 0.066 0.000 0.814 572 E CB 0.088 30.044 29.700 0.427 0.000 0.762 572 E HN 0.517 nan 8.360 nan 0.000 0.460 573 Y N 1.012 120.797 120.300 -0.859 0.000 2.421 573 Y HA 0.005 4.546 4.550 -0.015 0.000 0.292 573 Y C 1.563 177.191 175.900 -0.452 0.000 1.136 573 Y CA 0.691 58.099 58.100 -1.152 0.000 1.255 573 Y CB 0.013 37.805 38.460 -1.113 0.000 0.991 573 Y HN -0.220 nan 8.280 nan 0.000 0.552 574 K N 0.994 120.896 120.400 -0.830 0.000 2.365 574 K HA -0.013 4.299 4.320 -0.015 0.000 0.199 574 K C 0.355 176.776 176.600 -0.297 0.000 1.045 574 K CA 0.837 56.773 56.287 -0.584 0.000 0.962 574 K CB -0.191 32.003 32.500 -0.510 0.000 0.759 574 K HN 0.417 nan 8.250 nan 0.000 0.469 575 R N 0.550 120.905 120.500 -0.240 0.000 3.423 575 R HA -0.191 4.140 4.340 -0.015 0.000 0.271 575 R C 0.704 176.930 176.300 -0.124 0.000 1.093 575 R CA 0.304 56.318 56.100 -0.142 0.000 0.730 575 R CB -1.922 28.305 30.300 -0.121 0.000 1.190 575 R HN 0.204 nan 8.270 nan 0.000 0.437 576 Q N 0.188 119.914 119.800 -0.124 0.000 2.248 576 Q HA -0.088 4.243 4.340 -0.015 0.000 0.208 576 Q C 1.831 177.785 176.000 -0.076 0.000 0.984 576 Q CA 1.575 57.318 55.803 -0.099 0.000 0.875 576 Q CB -0.002 28.681 28.738 -0.092 0.000 0.910 576 Q HN 0.598 nan 8.270 nan 0.000 0.433 577 L N -0.712 120.469 121.223 -0.070 0.000 2.083 577 L HA -0.186 4.145 4.340 -0.015 0.000 0.209 577 L C 1.970 178.842 176.870 0.003 0.000 1.083 577 L CA 0.567 55.380 54.840 -0.046 0.000 0.752 577 L CB -0.325 41.716 42.059 -0.030 0.000 0.899 577 L HN 0.314 nan 8.230 nan 0.000 0.433 578 L N -0.075 121.143 121.223 -0.009 0.000 2.083 578 L HA -0.230 4.101 4.340 -0.015 0.000 0.209 578 L C 1.985 178.894 176.870 0.064 0.000 1.083 578 L CA 1.844 56.691 54.840 0.013 0.000 0.752 578 L CB -0.881 41.089 42.059 -0.147 0.000 0.899 578 L HN 0.288 nan 8.230 nan 0.000 0.433 579 N N -1.817 116.891 118.700 0.013 0.000 2.120 579 N HA -0.222 4.509 4.740 -0.015 0.000 0.188 579 N C 1.970 177.557 175.510 0.129 0.000 1.024 579 N CA 1.480 54.602 53.050 0.120 0.000 0.852 579 N CB -0.110 38.392 38.487 0.026 0.000 1.003 579 N HN 0.472 nan 8.380 nan 0.000 0.424 580 C N 0.681 119.999 119.300 0.030 0.000 2.413 580 C HA -0.090 4.361 4.460 -0.015 0.000 0.276 580 C C 2.600 177.599 174.990 0.015 0.000 1.236 580 C CA 0.414 59.409 59.018 -0.039 0.000 1.735 580 C CB -1.256 26.408 27.740 -0.127 0.000 2.031 580 C HN 0.515 nan 8.230 nan 0.000 0.474 581 L N -0.250 121.043 121.223 0.116 0.000 2.042 581 L HA -0.233 4.098 4.340 -0.015 0.000 0.210 581 L C 2.725 179.757 176.870 0.270 0.000 1.076 581 L CA 2.003 56.975 54.840 0.220 0.000 0.749 581 L CB -1.135 41.151 42.059 0.379 0.000 0.893 581 L HN 0.621 nan 8.230 nan 0.000 0.432 582 H N -0.099 119.071 119.070 0.166 0.000 2.326 582 H HA -0.131 4.416 4.556 -0.015 0.000 0.301 582 H C 2.255 177.572 175.328 -0.018 0.000 1.081 582 H CA 1.909 57.966 56.048 0.016 0.000 1.334 582 H CB 0.285 29.997 29.762 -0.082 0.000 1.385 582 H HN 0.085 nan 8.280 nan 0.000 0.504 583 V N 1.643 121.491 119.914 -0.109 0.000 2.282 583 V HA -0.291 3.820 4.120 -0.015 0.000 0.249 583 V C 2.890 178.924 176.094 -0.099 0.000 1.057 583 V CA 2.012 64.207 62.300 -0.175 0.000 1.032 583 V CB -0.581 31.186 31.823 -0.093 0.000 0.645 583 V HN 0.390 nan 8.190 nan 0.000 0.447 584 I N -0.200 120.352 120.570 -0.030 0.000 2.208 584 I HA -0.257 3.904 4.170 -0.015 0.000 0.245 584 I C 2.535 178.727 176.117 0.126 0.000 1.097 584 I CA 1.900 63.258 61.300 0.096 0.000 1.363 584 I CB -0.649 37.392 38.000 0.069 0.000 1.051 584 I HN 0.345 nan 8.210 nan 0.000 0.413 585 T N 1.124 115.700 114.554 0.038 0.000 2.684 585 T HA -0.176 4.165 4.350 -0.015 0.000 0.267 585 T C 1.857 176.515 174.700 -0.070 0.000 1.036 585 T CA 1.241 63.347 62.100 0.011 0.000 1.148 585 T CB -0.276 68.602 68.868 0.017 0.000 0.863 585 T HN 0.076 nan 8.240 nan 0.000 0.436 586 L N 0.104 121.212 121.223 -0.192 0.000 2.012 586 L HA -0.044 4.287 4.340 -0.015 0.000 0.210 586 L C 2.075 178.906 176.870 -0.064 0.000 1.073 586 L CA 1.607 56.329 54.840 -0.197 0.000 0.748 586 L CB -1.151 40.724 42.059 -0.306 0.000 0.891 586 L HN 0.364 nan 8.230 nan 0.000 0.431 587 Y N 0.483 120.722 120.300 -0.102 0.000 2.053 587 Y HA -0.353 4.188 4.550 -0.015 0.000 0.277 587 Y C 2.500 178.380 175.900 -0.032 0.000 1.159 587 Y CA 2.056 60.136 58.100 -0.033 0.000 1.125 587 Y CB -0.173 38.319 38.460 0.053 0.000 0.969 587 Y HN 0.299 nan 8.280 nan 0.000 0.492 588 N N 0.469 119.131 118.700 -0.065 0.000 2.149 588 N HA -0.174 4.557 4.740 -0.015 0.000 0.188 588 N C 1.797 177.197 175.510 -0.183 0.000 1.019 588 N CA 1.712 54.657 53.050 -0.176 0.000 0.857 588 N CB -0.396 38.055 38.487 -0.060 0.000 0.997 588 N HN 0.479 nan 8.380 nan 0.000 0.426 589 R N 0.295 120.714 120.500 -0.135 0.000 2.092 589 R HA 0.087 4.418 4.340 -0.015 0.000 0.231 589 R C 2.224 178.438 176.300 -0.143 0.000 1.119 589 R CA 0.678 56.705 56.100 -0.122 0.000 0.970 589 R CB -0.219 30.019 30.300 -0.103 0.000 0.864 589 R HN 0.241 nan 8.270 nan 0.000 0.440 590 I N 0.957 121.422 120.570 -0.175 0.000 2.252 590 I HA -0.243 3.918 4.170 -0.015 0.000 0.245 590 I C 1.970 177.968 176.117 -0.199 0.000 1.102 590 I CA 1.157 62.354 61.300 -0.172 0.000 1.385 590 I CB -0.095 37.805 38.000 -0.166 0.000 1.064 590 I HN -0.001 nan 8.210 nan 0.000 0.414 591 K N 0.722 120.939 120.400 -0.305 0.000 2.362 591 K HA -0.175 4.136 4.320 -0.015 0.000 0.200 591 K C 1.932 178.425 176.600 -0.179 0.000 1.046 591 K CA 0.896 57.011 56.287 -0.286 0.000 0.952 591 K CB -0.161 32.077 32.500 -0.436 0.000 0.753 591 K HN 0.157 nan 8.250 nan 0.000 0.466 592 K N 1.774 122.080 120.400 -0.156 0.000 2.098 592 K HA -0.035 4.276 4.320 -0.015 0.000 0.203 592 K C 0.098 176.648 176.600 -0.083 0.000 1.051 592 K CA 1.090 57.311 56.287 -0.110 0.000 0.957 592 K CB 0.447 32.887 32.500 -0.100 0.000 0.738 592 K HN 0.039 nan 8.250 nan 0.000 0.447 593 E N 0.795 120.946 120.200 -0.082 0.000 3.037 593 E HA 0.185 4.526 4.350 -0.015 0.000 0.220 593 E C -2.366 174.198 176.600 -0.060 0.000 1.142 593 E CA -1.782 54.583 56.400 -0.058 0.000 0.888 593 E CB 1.588 31.261 29.700 -0.046 0.000 1.329 593 E HN 0.067 nan 8.360 nan 0.000 0.409 594 P HA -0.177 nan 4.420 nan 0.000 0.215 594 P C 0.321 177.603 177.300 -0.029 0.000 1.157 594 P CA 1.314 64.382 63.100 -0.052 0.000 0.874 594 P CB 0.143 31.817 31.700 -0.044 0.000 0.790 595 N N -0.953 117.739 118.700 -0.014 0.000 2.375 595 N HA 0.016 4.747 4.740 -0.015 0.000 0.220 595 N C 0.383 175.909 175.510 0.026 0.000 1.170 595 N CA 0.065 53.120 53.050 0.008 0.000 0.833 595 N CB -0.131 38.361 38.487 0.009 0.000 1.069 595 N HN 0.086 nan 8.380 nan 0.000 0.479 596 K N 1.017 121.425 120.400 0.014 0.000 2.159 596 K HA 0.183 4.495 4.320 -0.015 0.000 0.266 596 K C -1.029 175.606 176.600 0.058 0.000 0.975 596 K CA -0.648 55.661 56.287 0.038 0.000 0.865 596 K CB 0.786 33.289 32.500 0.004 0.000 1.087 596 K HN -0.040 nan 8.250 nan 0.000 0.446 597 F N 4.589 124.526 119.950 -0.021 0.000 2.443 597 F HA 0.268 4.786 4.527 -0.015 0.000 0.353 597 F C -0.499 175.287 175.800 -0.022 0.000 1.101 597 F CA -0.085 57.904 58.000 -0.019 0.000 1.226 597 F CB 0.724 39.715 39.000 -0.014 0.000 1.140 597 F HN 0.197 nan 8.300 nan 0.000 0.557 598 V N 3.879 123.128 119.914 -1.109 0.000 2.888 598 V HA 0.504 4.615 4.120 -0.015 0.000 0.309 598 V C -0.819 174.638 176.094 -1.063 0.000 1.114 598 V CA -1.261 60.570 62.300 -0.782 0.000 0.940 598 V CB 0.881 32.468 31.823 -0.392 0.000 1.021 598 V HN 0.591 nan 8.190 nan 0.000 0.426 599 V N 4.545 124.129 119.914 -0.550 0.000 2.493 599 V HA 0.178 4.289 4.120 -0.015 0.000 0.292 599 V C -1.815 174.123 176.094 -0.260 0.000 1.016 599 V CA -0.333 61.796 62.300 -0.285 0.000 1.097 599 V CB 0.308 32.082 31.823 -0.081 0.000 0.947 599 V HN 0.903 nan 8.190 nan 0.000 0.479 600 P HA 0.370 nan 4.420 nan 0.000 0.268 600 P C -0.428 176.791 177.300 -0.135 0.000 1.205 600 P CA -0.096 62.925 63.100 -0.132 0.000 0.771 600 P CB 0.570 32.242 31.700 -0.047 0.000 0.858 601 R N 0.837 121.269 120.500 -0.114 0.000 2.725 601 R HA 0.637 4.969 4.340 -0.015 0.000 0.277 601 R C -0.873 175.393 176.300 -0.056 0.000 0.987 601 R CA -0.610 55.424 56.100 -0.109 0.000 0.901 601 R CB 1.996 32.212 30.300 -0.139 0.000 1.207 601 R HN 0.275 nan 8.270 nan 0.000 0.463 602 T N 1.861 116.396 114.554 -0.031 0.000 2.864 602 T HA 0.223 4.564 4.350 -0.015 0.000 0.310 602 T C -0.860 173.756 174.700 -0.139 0.000 1.040 602 T CA -0.586 61.461 62.100 -0.087 0.000 0.977 602 T CB 1.136 69.917 68.868 -0.146 0.000 0.976 602 T HN 0.361 nan 8.240 nan 0.000 0.459 603 V N 4.486 124.326 119.914 -0.124 0.000 2.407 603 V HA 0.722 4.833 4.120 -0.015 0.000 0.278 603 V C -0.555 175.455 176.094 -0.140 0.000 1.037 603 V CA -0.643 61.586 62.300 -0.119 0.000 0.900 603 V CB 0.802 32.576 31.823 -0.080 0.000 0.983 603 V HN 0.864 nan 8.190 nan 0.000 0.459 604 M N 7.347 126.849 119.600 -0.164 0.000 2.181 604 M HA 0.601 5.072 4.480 -0.015 0.000 0.323 604 M C -0.951 175.237 176.300 -0.186 0.000 1.004 604 M CA -0.213 54.982 55.300 -0.176 0.000 0.941 604 M CB 2.002 34.486 32.600 -0.193 0.000 1.579 604 M HN 0.536 nan 8.290 nan 0.000 0.427 605 I N 2.000 122.455 120.570 -0.192 0.000 2.433 605 I HA 0.835 4.996 4.170 -0.015 0.000 0.292 605 I C 0.176 176.000 176.117 -0.488 0.000 1.001 605 I CA -0.600 60.570 61.300 -0.216 0.000 1.119 605 I CB 2.171 40.140 38.000 -0.053 0.000 1.289 605 I HN 0.806 nan 8.210 nan 0.000 0.438 606 G N 3.030 111.502 108.800 -0.546 0.000 2.690 606 G HA2 0.816 4.767 3.960 -0.015 0.000 0.293 606 G HA3 0.816 4.767 3.960 -0.015 0.000 0.293 606 G C -1.011 173.608 174.900 -0.468 0.000 1.399 606 G CA -0.687 43.935 45.100 -0.797 0.000 0.890 606 G HN 0.981 nan 8.290 nan 0.000 0.485 607 G N -0.428 108.231 108.800 -0.235 0.000 2.350 607 G HA2 0.418 4.369 3.960 -0.015 0.000 0.305 607 G HA3 0.418 4.369 3.960 -0.015 0.000 0.305 607 G C -1.490 173.532 174.900 0.202 0.000 1.479 607 G CA -1.020 44.111 45.100 0.053 0.000 0.949 607 G HN 0.596 nan 8.290 nan 0.000 0.651 608 K N -0.165 120.351 120.400 0.193 0.000 2.138 608 K HA 0.756 5.067 4.320 -0.015 0.000 0.263 608 K C 0.215 176.936 176.600 0.202 0.000 0.965 608 K CA -0.201 56.218 56.287 0.221 0.000 0.868 608 K CB 1.980 34.525 32.500 0.076 0.000 1.083 608 K HN 0.896 nan 8.250 nan 0.000 0.443 609 A N 1.729 124.699 122.820 0.250 0.000 2.305 609 A HA 0.652 4.963 4.320 -0.015 0.000 0.322 609 A C -0.449 177.289 177.584 0.257 0.000 1.187 609 A CA -0.694 51.422 52.037 0.132 0.000 0.825 609 A CB 0.990 19.994 19.000 0.007 0.000 1.164 609 A HN 0.787 nan 8.150 nan 0.000 0.498 610 A N 3.716 126.662 122.820 0.209 0.000 2.511 610 A HA 0.481 4.792 4.320 -0.015 0.000 0.242 610 A C -1.347 176.303 177.584 0.111 0.000 1.069 610 A CA -0.855 51.320 52.037 0.229 0.000 0.763 610 A CB -0.337 18.768 19.000 0.174 0.000 1.001 610 A HN 0.604 nan 8.150 nan 0.000 0.498 611 P HA -0.152 nan 4.420 nan 0.000 0.217 611 P C 1.336 178.617 177.300 -0.031 0.000 1.148 611 P CA 2.009 65.039 63.100 -0.116 0.000 0.834 611 P CB 0.181 31.751 31.700 -0.215 0.000 0.783 612 G N -3.036 105.771 108.800 0.011 0.000 3.042 612 G HA2 -0.103 3.848 3.960 -0.015 0.000 0.212 612 G HA3 -0.103 3.848 3.960 -0.015 0.000 0.212 612 G C -0.048 174.891 174.900 0.064 0.000 1.166 612 G CA -0.154 44.957 45.100 0.018 0.000 0.767 612 G HN 0.309 nan 8.290 nan 0.000 0.546 613 Y N 1.940 122.179 120.300 -0.102 0.000 2.627 613 Y HA 0.139 4.680 4.550 -0.015 0.000 0.347 613 Y C 1.716 177.597 175.900 -0.032 0.000 1.099 613 Y CA -0.985 57.044 58.100 -0.118 0.000 1.408 613 Y CB 0.076 38.429 38.460 -0.178 0.000 1.247 613 Y HN 0.298 nan 8.280 nan 0.000 0.506 614 H N 4.002 123.173 119.070 0.169 0.000 2.289 614 H HA -0.228 4.319 4.556 -0.015 0.000 0.296 614 H C 1.804 177.142 175.328 0.016 0.000 1.091 614 H CA 2.296 58.387 56.048 0.073 0.000 1.274 614 H CB 0.378 30.183 29.762 0.073 0.000 1.364 614 H HN 0.684 nan 8.280 nan 0.000 0.490 615 M N 1.161 120.707 119.600 -0.089 0.000 2.065 615 M HA -0.112 4.359 4.480 -0.015 0.000 0.259 615 M C 2.695 178.722 176.300 -0.454 0.000 1.069 615 M CA 2.008 57.178 55.300 -0.217 0.000 1.110 615 M CB -1.171 31.456 32.600 0.047 0.000 1.328 615 M HN 0.359 nan 8.290 nan 0.000 0.405 616 A N -0.482 121.772 122.820 -0.942 0.000 1.948 616 A HA -0.246 4.065 4.320 -0.015 0.000 0.220 616 A C 2.199 179.549 177.584 -0.391 0.000 1.177 616 A CA 2.160 53.711 52.037 -0.809 0.000 0.636 616 A CB -0.764 17.535 19.000 -1.168 0.000 0.815 616 A HN 0.633 nan 8.150 nan 0.000 0.449 617 K N -1.459 118.766 120.400 -0.293 0.000 2.228 617 K HA 0.028 4.339 4.320 -0.015 0.000 0.202 617 K C 1.836 178.381 176.600 -0.092 0.000 1.051 617 K CA 0.923 57.139 56.287 -0.119 0.000 0.960 617 K CB -0.150 32.344 32.500 -0.010 0.000 0.743 617 K HN 0.329 nan 8.250 nan 0.000 0.458 618 M N 0.604 120.099 119.600 -0.176 0.000 2.200 618 M HA -0.049 4.422 4.480 -0.015 0.000 0.265 618 M C 2.037 178.275 176.300 -0.103 0.000 1.066 618 M CA 1.370 56.609 55.300 -0.101 0.000 1.127 618 M CB -0.493 32.015 32.600 -0.154 0.000 1.379 618 M HN 0.106 nan 8.290 nan 0.000 0.420 619 I N -0.458 120.011 120.570 -0.168 0.000 2.315 619 I HA -0.294 3.867 4.170 -0.015 0.000 0.248 619 I C 2.257 178.236 176.117 -0.230 0.000 1.117 619 I CA 0.963 62.154 61.300 -0.182 0.000 1.404 619 I CB -0.262 37.628 38.000 -0.182 0.000 1.071 619 I HN 0.174 nan 8.210 nan 0.000 0.419 620 I N 0.644 121.053 120.570 -0.267 0.000 2.286 620 I HA -0.283 3.878 4.170 -0.015 0.000 0.248 620 I C 2.552 178.366 176.117 -0.504 0.000 1.115 620 I CA 1.151 62.190 61.300 -0.434 0.000 1.392 620 I CB -0.219 37.523 38.000 -0.431 0.000 1.065 620 I HN 0.151 nan 8.210 nan 0.000 0.418 621 K N 1.424 121.552 120.400 -0.455 0.000 2.148 621 K HA -0.123 4.188 4.320 -0.015 0.000 0.204 621 K C 1.982 178.422 176.600 -0.266 0.000 1.050 621 K CA 1.339 57.274 56.287 -0.587 0.000 0.942 621 K CB -0.451 31.423 32.500 -1.043 0.000 0.724 621 K HN 0.224 nan 8.250 nan 0.000 0.446 622 L N 0.350 121.451 121.223 -0.202 0.000 2.005 622 L HA -0.133 4.198 4.340 -0.015 0.000 0.207 622 L C 2.128 178.756 176.870 -0.405 0.000 1.072 622 L CA 1.661 56.224 54.840 -0.461 0.000 0.744 622 L CB -0.348 41.374 42.059 -0.562 0.000 0.895 622 L HN 0.226 nan 8.230 nan 0.000 0.433 623 I N 0.114 120.489 120.570 -0.325 0.000 2.118 623 I HA -0.372 3.789 4.170 -0.015 0.000 0.241 623 I C 2.619 178.603 176.117 -0.223 0.000 1.070 623 I CA 2.084 63.238 61.300 -0.244 0.000 1.327 623 I CB -0.817 37.104 38.000 -0.132 0.000 1.034 623 I HN 0.435 nan 8.210 nan 0.000 0.405 624 T N -0.649 113.741 114.554 -0.273 0.000 2.833 624 T HA -0.103 4.238 4.350 -0.015 0.000 0.269 624 T C 1.959 176.571 174.700 -0.146 0.000 1.054 624 T CA 1.007 62.984 62.100 -0.205 0.000 1.135 624 T CB -0.519 68.183 68.868 -0.276 0.000 0.869 624 T HN 0.384 nan 8.240 nan 0.000 0.466 625 A N 1.436 124.163 122.820 -0.154 0.000 1.930 625 A HA 0.151 4.462 4.320 -0.015 0.000 0.217 625 A C 2.349 179.911 177.584 -0.036 0.000 1.175 625 A CA 1.209 53.219 52.037 -0.044 0.000 0.627 625 A CB -0.793 18.252 19.000 0.074 0.000 0.815 625 A HN 0.567 nan 8.150 nan 0.000 0.443 626 I N -0.226 120.216 120.570 -0.213 0.000 2.226 626 I HA -0.190 3.971 4.170 -0.015 0.000 0.245 626 I C 2.657 178.707 176.117 -0.111 0.000 1.100 626 I CA 1.211 62.364 61.300 -0.245 0.000 1.374 626 I CB -0.455 37.297 38.000 -0.414 0.000 1.057 626 I HN 0.380 nan 8.210 nan 0.000 0.413 627 G N -0.010 108.719 108.800 -0.118 0.000 2.432 627 G HA2 -0.227 3.724 3.960 -0.015 0.000 0.219 627 G HA3 -0.227 3.724 3.960 -0.015 0.000 0.219 627 G C 1.271 176.112 174.900 -0.098 0.000 1.135 627 G CA 0.739 45.773 45.100 -0.110 0.000 0.767 627 G HN 0.266 nan 8.290 nan 0.000 0.550 628 D N 0.129 120.519 120.400 -0.016 0.000 2.117 628 D HA -0.082 4.549 4.640 -0.015 0.000 0.197 628 D C 2.724 179.093 176.300 0.115 0.000 0.987 628 D CA 0.660 54.721 54.000 0.103 0.000 0.829 628 D CB -0.181 40.665 40.800 0.077 0.000 0.961 628 D HN 0.227 nan 8.370 nan 0.000 0.460 629 V N 0.253 120.166 119.914 -0.001 0.000 2.273 629 V HA -0.157 3.954 4.120 -0.015 0.000 0.242 629 V C 2.647 178.658 176.094 -0.139 0.000 1.035 629 V CA 0.843 63.087 62.300 -0.093 0.000 1.013 629 V CB -0.461 31.239 31.823 -0.206 0.000 0.652 629 V HN 0.017 nan 8.190 nan 0.000 0.452 630 V N 1.095 120.862 119.914 -0.245 0.000 2.282 630 V HA -0.267 3.844 4.120 -0.015 0.000 0.249 630 V C 2.148 178.178 176.094 -0.107 0.000 1.057 630 V CA 2.280 64.446 62.300 -0.223 0.000 1.032 630 V CB -0.970 30.728 31.823 -0.209 0.000 0.645 630 V HN 0.588 nan 8.190 nan 0.000 0.447 631 N N -0.489 118.073 118.700 -0.231 0.000 2.573 631 N HA -0.093 4.638 4.740 -0.015 0.000 0.187 631 N C 1.125 176.346 175.510 -0.481 0.000 1.107 631 N CA 0.929 53.759 53.050 -0.367 0.000 0.918 631 N CB -0.326 37.854 38.487 -0.512 0.000 0.966 631 N HN 0.719 nan 8.380 nan 0.000 0.448 632 H N -1.696 117.382 119.070 0.015 0.000 2.785 632 H HA 0.205 4.753 4.556 -0.015 0.000 0.268 632 H C -0.599 174.752 175.328 0.039 0.000 1.153 632 H CA -0.502 55.557 56.048 0.019 0.000 1.111 632 H CB 0.732 30.493 29.762 -0.002 0.000 1.633 632 H HN -0.034 nan 8.280 nan 0.000 0.576 633 D N 1.639 122.120 120.400 0.135 0.000 2.347 633 D HA 0.064 4.695 4.640 -0.015 0.000 0.235 633 D C -1.691 174.676 176.300 0.111 0.000 1.149 633 D CA -2.152 51.941 54.000 0.156 0.000 0.850 633 D CB 1.789 42.757 40.800 0.280 0.000 1.061 633 D HN 0.101 nan 8.370 nan 0.000 0.487 634 P HA -0.115 nan 4.420 nan 0.000 0.218 634 P C 1.573 178.900 177.300 0.045 0.000 1.149 634 P CA 0.369 63.505 63.100 0.060 0.000 0.817 634 P CB 0.454 32.184 31.700 0.049 0.000 0.785 635 V N -0.589 119.350 119.914 0.042 0.000 2.515 635 V HA -0.161 3.950 4.120 -0.015 0.000 0.250 635 V C 2.413 178.514 176.094 0.012 0.000 1.058 635 V CA 1.476 63.786 62.300 0.016 0.000 1.064 635 V CB -0.967 30.852 31.823 -0.006 0.000 0.675 635 V HN -0.017 nan 8.190 nan 0.000 0.461 636 V N -0.190 119.748 119.914 0.041 0.000 2.453 636 V HA 0.098 4.209 4.120 -0.015 0.000 0.247 636 V C 1.786 177.895 176.094 0.025 0.000 1.048 636 V CA 1.429 63.753 62.300 0.039 0.000 1.049 636 V CB -1.201 30.689 31.823 0.112 0.000 0.672 636 V HN 0.731 nan 8.190 nan 0.000 0.457 637 G N 1.530 110.351 108.800 0.035 0.000 2.574 637 G HA2 -0.408 3.543 3.960 -0.015 0.000 0.286 637 G HA3 -0.408 3.543 3.960 -0.015 0.000 0.286 637 G C 0.264 175.183 174.900 0.031 0.000 1.212 637 G CA 0.615 45.734 45.100 0.032 0.000 0.979 637 G HN 0.735 nan 8.290 nan 0.000 0.557 638 D N -0.209 120.210 120.400 0.032 0.000 2.358 638 D HA 0.324 4.955 4.640 -0.015 0.000 0.224 638 D C 1.867 178.174 176.300 0.012 0.000 1.123 638 D CA 0.230 54.252 54.000 0.036 0.000 0.833 638 D CB 0.129 40.967 40.800 0.063 0.000 0.946 638 D HN 0.572 nan 8.370 nan 0.000 0.505 639 R N -0.575 119.918 120.500 -0.012 0.000 2.193 639 R HA 0.253 4.584 4.340 -0.015 0.000 0.213 639 R C -0.174 176.090 176.300 -0.060 0.000 1.055 639 R CA 0.347 56.414 56.100 -0.055 0.000 0.995 639 R CB 0.155 30.400 30.300 -0.092 0.000 0.893 639 R HN 0.173 nan 8.270 nan 0.000 0.459 640 L N 0.821 122.025 121.223 -0.030 0.000 2.580 640 L HA 0.362 4.693 4.340 -0.015 0.000 0.266 640 L C -1.561 175.290 176.870 -0.032 0.000 0.955 640 L CA -0.489 54.330 54.840 -0.034 0.000 0.886 640 L CB 1.547 43.597 42.059 -0.015 0.000 1.263 640 L HN -0.121 nan 8.230 nan 0.000 0.406 641 R N 3.997 124.466 120.500 -0.052 0.000 2.670 641 R HA 0.777 5.108 4.340 -0.015 0.000 0.289 641 R C -1.423 174.824 176.300 -0.088 0.000 0.965 641 R CA -0.875 55.182 56.100 -0.070 0.000 0.899 641 R CB 2.401 32.661 30.300 -0.066 0.000 1.173 641 R HN 0.377 nan 8.270 nan 0.000 0.456 642 V N 4.595 124.451 119.914 -0.097 0.000 2.378 642 V HA 0.483 4.594 4.120 -0.015 0.000 0.288 642 V C -0.218 175.829 176.094 -0.078 0.000 1.016 642 V CA -0.643 61.601 62.300 -0.093 0.000 0.840 642 V CB 1.605 33.366 31.823 -0.102 0.000 0.994 642 V HN 0.582 nan 8.190 nan 0.000 0.431 643 I N 4.612 125.137 120.570 -0.074 0.000 2.498 643 I HA 0.449 4.610 4.170 -0.015 0.000 0.290 643 I C -0.945 175.156 176.117 -0.026 0.000 1.032 643 I CA -0.390 60.878 61.300 -0.054 0.000 1.073 643 I CB 2.233 40.174 38.000 -0.098 0.000 1.251 643 I HN 0.581 nan 8.210 nan 0.000 0.426 644 F N 7.559 127.438 119.950 -0.118 0.000 2.350 644 F HA 0.452 4.970 4.527 -0.015 0.000 0.365 644 F C -0.688 175.038 175.800 -0.123 0.000 1.122 644 F CA -0.782 57.148 58.000 -0.116 0.000 1.139 644 F CB 0.557 39.493 39.000 -0.106 0.000 1.220 644 F HN 0.137 nan 8.300 nan 0.000 0.499 645 L N 5.681 126.479 121.223 -0.708 0.000 2.433 645 L HA 0.106 4.437 4.340 -0.015 0.000 0.275 645 L C 0.373 176.885 176.870 -0.596 0.000 1.128 645 L CA 0.273 54.801 54.840 -0.520 0.000 0.875 645 L CB 0.045 41.898 42.059 -0.344 0.000 1.171 645 L HN 0.612 nan 8.230 nan 0.000 0.463 646 E N 3.164 123.146 120.200 -0.363 0.000 2.338 646 E HA 0.018 4.359 4.350 -0.015 0.000 0.272 646 E C 0.447 177.057 176.600 0.017 0.000 1.029 646 E CA -0.245 56.093 56.400 -0.104 0.000 0.872 646 E CB 0.300 29.941 29.700 -0.097 0.000 1.015 646 E HN 0.531 nan 8.360 nan 0.000 0.417 647 N N 2.595 121.381 118.700 0.143 0.000 2.725 647 N HA -0.285 4.446 4.740 -0.015 0.000 0.251 647 N C -1.490 174.106 175.510 0.143 0.000 1.031 647 N CA 0.479 53.626 53.050 0.163 0.000 0.720 647 N CB -1.387 37.222 38.487 0.203 0.000 0.930 647 N HN 0.448 nan 8.380 nan 0.000 0.543 648 Y N 1.432 121.719 120.300 -0.022 0.000 2.721 648 Y HA 0.126 4.667 4.550 -0.015 0.000 0.329 648 Y C 1.116 177.022 175.900 0.011 0.000 1.211 648 Y CA 0.566 58.644 58.100 -0.037 0.000 1.512 648 Y CB 0.276 38.685 38.460 -0.085 0.000 1.249 648 Y HN 0.372 nan 8.280 nan 0.000 0.549 649 R N 2.508 122.677 120.500 -0.552 0.000 2.762 649 R HA 0.490 4.821 4.340 -0.015 0.000 0.271 649 R C -0.219 175.734 176.300 -0.579 0.000 1.038 649 R CA -0.647 55.174 56.100 -0.466 0.000 0.906 649 R CB 0.344 30.571 30.300 -0.122 0.000 1.259 649 R HN 0.349 nan 8.270 nan 0.000 0.457 650 V N 1.123 120.723 119.914 -0.523 0.000 2.231 650 V HA -0.326 3.785 4.120 -0.015 0.000 0.248 650 V C 2.585 178.552 176.094 -0.211 0.000 1.054 650 V CA 2.983 65.055 62.300 -0.380 0.000 1.015 650 V CB -0.892 30.665 31.823 -0.444 0.000 0.638 650 V HN 0.964 nan 8.190 nan 0.000 0.444 651 S N 0.176 115.769 115.700 -0.178 0.000 2.387 651 S HA -0.232 4.229 4.470 -0.015 0.000 0.230 651 S C 1.933 176.485 174.600 -0.081 0.000 1.035 651 S CA 1.912 60.043 58.200 -0.115 0.000 1.014 651 S CB -0.651 62.513 63.200 -0.061 0.000 0.836 651 S HN 0.381 nan 8.310 nan 0.000 0.466 652 L N 2.010 123.189 121.223 -0.074 0.000 2.156 652 L HA 0.327 4.658 4.340 -0.015 0.000 0.208 652 L C 2.646 179.515 176.870 -0.003 0.000 1.095 652 L CA 1.342 56.177 54.840 -0.008 0.000 0.770 652 L CB -1.443 40.666 42.059 0.084 0.000 0.914 652 L HN 0.359 nan 8.230 nan 0.000 0.439 653 A N -0.664 122.133 122.820 -0.038 0.000 1.933 653 A HA -0.215 4.096 4.320 -0.015 0.000 0.218 653 A C 2.093 179.721 177.584 0.073 0.000 1.175 653 A CA 1.687 53.774 52.037 0.083 0.000 0.628 653 A CB -0.580 18.444 19.000 0.040 0.000 0.814 653 A HN 0.595 nan 8.150 nan 0.000 0.444 654 E N -0.469 119.765 120.200 0.058 0.000 2.409 654 E HA -0.137 4.204 4.350 -0.015 0.000 0.198 654 E C 1.733 178.294 176.600 -0.065 0.000 1.024 654 E CA 1.028 57.431 56.400 0.005 0.000 0.861 654 E CB -0.023 29.597 29.700 -0.134 0.000 0.788 654 E HN 0.627 nan 8.360 nan 0.000 0.521 655 K N -0.160 120.173 120.400 -0.112 0.000 2.214 655 K HA -0.007 4.304 4.320 -0.015 0.000 0.201 655 K C 2.137 178.497 176.600 -0.401 0.000 1.049 655 K CA 0.762 56.950 56.287 -0.164 0.000 0.978 655 K CB 0.425 32.831 32.500 -0.157 0.000 0.842 655 K HN -0.014 nan 8.250 nan 0.000 0.474 656 V N 0.704 120.298 119.914 -0.534 0.000 2.346 656 V HA -0.144 3.967 4.120 -0.015 0.000 0.244 656 V C 2.179 178.010 176.094 -0.439 0.000 1.037 656 V CA 1.147 62.953 62.300 -0.823 0.000 1.029 656 V CB -0.752 30.724 31.823 -0.579 0.000 0.663 656 V HN 0.171 nan 8.190 nan 0.000 0.454 657 I N 1.064 121.412 120.570 -0.369 0.000 2.145 657 I HA -0.179 3.982 4.170 -0.015 0.000 0.244 657 I C -0.027 175.953 176.117 -0.229 0.000 1.075 657 I CA 2.053 63.059 61.300 -0.490 0.000 1.332 657 I CB -1.765 35.851 38.000 -0.640 0.000 1.033 657 I HN 0.371 nan 8.210 nan 0.000 0.410 658 P HA -0.095 nan 4.420 nan 0.000 0.222 658 P C 0.900 178.193 177.300 -0.013 0.000 1.147 658 P CA 1.256 64.324 63.100 -0.054 0.000 0.790 658 P CB 0.017 31.696 31.700 -0.035 0.000 0.780 659 A N -1.270 121.523 122.820 -0.045 0.000 2.345 659 A HA 0.519 4.830 4.320 -0.015 0.000 0.225 659 A C 1.083 178.786 177.584 0.200 0.000 1.243 659 A CA 0.001 52.079 52.037 0.068 0.000 0.875 659 A CB -0.633 18.414 19.000 0.078 0.000 0.929 659 A HN 0.192 nan 8.150 nan 0.000 0.502 660 A N -0.231 122.691 122.820 0.170 0.000 2.327 660 A HA 0.520 4.831 4.320 -0.015 0.000 0.283 660 A C 0.298 178.041 177.584 0.265 0.000 1.127 660 A CA -0.318 51.887 52.037 0.279 0.000 0.810 660 A CB 0.445 19.704 19.000 0.432 0.000 1.066 660 A HN 0.250 nan 8.150 nan 0.000 0.492 661 D N 0.669 121.224 120.400 0.259 0.000 2.369 661 D HA 0.115 4.746 4.640 -0.015 0.000 0.231 661 D C 0.095 176.585 176.300 0.316 0.000 0.967 661 D CA 0.768 54.960 54.000 0.320 0.000 0.905 661 D CB 0.252 41.175 40.800 0.207 0.000 1.044 661 D HN 0.371 nan 8.370 nan 0.000 0.487 662 L N 1.158 122.461 121.223 0.133 0.000 2.333 662 L HA 0.299 4.630 4.340 -0.015 0.000 0.280 662 L C -0.682 176.056 176.870 -0.221 0.000 1.004 662 L CA -0.296 54.540 54.840 -0.007 0.000 0.820 662 L CB 2.010 44.038 42.059 -0.052 0.000 1.247 662 L HN -0.144 nan 8.230 nan 0.000 0.416 663 S N 4.245 119.720 115.700 -0.375 0.000 2.442 663 S HA 0.363 4.824 4.470 -0.015 0.000 0.297 663 S C -0.497 173.814 174.600 -0.483 0.000 1.131 663 S CA -0.675 57.039 58.200 -0.810 0.000 1.092 663 S CB 0.888 63.534 63.200 -0.923 0.000 0.998 663 S HN 0.568 nan 8.310 nan 0.000 0.478 664 E N 3.998 123.928 120.200 -0.451 0.000 2.081 664 E HA 0.240 4.581 4.350 -0.015 0.000 0.276 664 E C -0.637 175.855 176.600 -0.181 0.000 0.950 664 E CA -0.493 55.776 56.400 -0.217 0.000 0.776 664 E CB 1.198 30.802 29.700 -0.160 0.000 1.094 664 E HN 0.605 nan 8.360 nan 0.000 0.402 665 Q N 2.880 122.625 119.800 -0.092 0.000 2.965 665 Q HA 0.263 4.594 4.340 -0.015 0.000 0.288 665 Q C 0.596 176.575 176.000 -0.035 0.000 0.974 665 Q CA -0.137 55.624 55.803 -0.071 0.000 0.849 665 Q CB 0.358 29.067 28.738 -0.048 0.000 1.280 665 Q HN 0.619 nan 8.270 nan 0.000 0.441 666 I N -1.298 119.240 120.570 -0.053 0.000 3.626 666 I HA 0.280 4.441 4.170 -0.015 0.000 0.345 666 I C 0.275 176.331 176.117 -0.101 0.000 1.502 666 I CA -0.553 60.719 61.300 -0.048 0.000 1.135 666 I CB 0.160 38.141 38.000 -0.032 0.000 1.456 666 I HN -0.000 nan 8.210 nan 0.000 0.460 667 S N 0.559 116.202 115.700 -0.095 0.000 2.600 667 S HA 0.261 4.722 4.470 -0.015 0.000 0.265 667 S C 0.507 175.077 174.600 -0.050 0.000 1.325 667 S CA -0.312 57.848 58.200 -0.067 0.000 1.002 667 S CB 0.759 63.972 63.200 0.022 0.000 0.921 667 S HN 0.410 nan 8.310 nan 0.000 0.554 668 T N 2.492 117.045 114.554 -0.001 0.000 2.853 668 T HA 0.423 4.764 4.350 -0.015 0.000 0.298 668 T C 0.678 175.379 174.700 0.001 0.000 0.978 668 T CA 0.193 62.303 62.100 0.016 0.000 1.152 668 T CB 0.049 68.993 68.868 0.128 0.000 0.914 668 T HN 0.995 nan 8.240 nan 0.000 0.539 669 A N 2.986 125.780 122.820 -0.043 0.000 2.583 669 A HA 0.412 4.723 4.320 -0.015 0.000 0.249 669 A C 1.647 179.218 177.584 -0.023 0.000 1.035 669 A CA 0.439 52.447 52.037 -0.049 0.000 0.777 669 A CB -0.988 17.974 19.000 -0.063 0.000 0.942 669 A HN 1.628 nan 8.150 nan 0.000 0.516 670 G N 1.489 110.274 108.800 -0.026 0.000 2.179 670 G HA2 -0.231 3.720 3.960 -0.015 0.000 0.220 670 G HA3 -0.231 3.720 3.960 -0.015 0.000 0.220 670 G C 0.938 175.814 174.900 -0.040 0.000 0.990 670 G CA 0.984 46.069 45.100 -0.024 0.000 0.646 670 G HN 1.989 nan 8.290 nan 0.000 0.517 671 T N -2.219 112.305 114.554 -0.049 0.000 3.034 671 T HA 0.399 4.740 4.350 -0.015 0.000 0.248 671 T C 0.768 175.294 174.700 -0.290 0.000 1.040 671 T CA 1.123 63.123 62.100 -0.165 0.000 1.107 671 T CB 0.551 69.351 68.868 -0.112 0.000 0.932 671 T HN 0.286 nan 8.240 nan 0.000 0.474 672 E N 1.421 121.575 120.200 -0.078 0.000 2.044 672 E HA 0.660 5.001 4.350 -0.015 0.000 0.282 672 E C 1.224 177.764 176.600 -0.100 0.000 1.031 672 E CA 0.081 56.475 56.400 -0.010 0.000 0.824 672 E CB 0.749 30.518 29.700 0.116 0.000 1.076 672 E HN 0.328 nan 8.360 nan 0.000 0.395 673 A N 3.465 126.156 122.820 -0.216 0.000 1.915 673 A HA -0.271 4.040 4.320 -0.015 0.000 0.220 673 A C 1.931 179.399 177.584 -0.194 0.000 1.198 673 A CA 2.477 54.275 52.037 -0.399 0.000 0.647 673 A CB -0.301 18.339 19.000 -0.600 0.000 0.825 673 A HN 0.640 nan 8.150 nan 0.000 0.456 674 S N -4.617 111.029 115.700 -0.090 0.000 5.096 674 S HA 0.439 4.900 4.470 -0.015 0.000 0.162 674 S C 0.622 175.214 174.600 -0.014 0.000 1.106 674 S CA 1.316 59.503 58.200 -0.021 0.000 1.330 674 S CB -0.261 62.949 63.200 0.017 0.000 1.881 674 S HN 2.394 nan 8.310 nan 0.000 0.584 675 G N 0.288 109.087 108.800 -0.001 0.000 2.705 675 G HA2 0.019 3.970 3.960 -0.015 0.000 0.686 675 G HA3 0.019 3.970 3.960 -0.015 0.000 0.686 675 G C 0.218 175.102 174.900 -0.027 0.000 1.285 675 G CA 0.460 45.557 45.100 -0.005 0.000 0.800 675 G HN 1.451 nan 8.290 nan 0.000 0.611 676 T N -1.846 112.679 114.554 -0.048 0.000 2.992 676 T HA 0.393 4.734 4.350 -0.015 0.000 0.255 676 T C 2.341 176.943 174.700 -0.162 0.000 0.938 676 T CA 1.232 63.274 62.100 -0.098 0.000 0.895 676 T CB 0.378 69.186 68.868 -0.100 0.000 1.221 676 T HN 1.859 nan 8.240 nan 0.000 0.512 677 G N 3.299 112.034 108.800 -0.109 0.000 2.446 677 G HA2 -0.283 3.668 3.960 -0.015 0.000 0.217 677 G HA3 -0.283 3.668 3.960 -0.015 0.000 0.217 677 G C 1.457 176.397 174.900 0.067 0.000 1.168 677 G CA 1.234 46.287 45.100 -0.078 0.000 0.771 677 G HN 0.810 nan 8.290 nan 0.000 0.551 678 N N 0.360 119.093 118.700 0.055 0.000 2.060 678 N HA -0.219 4.512 4.740 -0.015 0.000 0.195 678 N C 2.253 177.773 175.510 0.016 0.000 1.028 678 N CA 1.665 54.749 53.050 0.058 0.000 0.861 678 N CB -0.422 38.047 38.487 -0.029 0.000 1.029 678 N HN 0.366 nan 8.380 nan 0.000 0.428 679 M N 0.780 120.314 119.600 -0.110 0.000 2.117 679 M HA -0.066 4.405 4.480 -0.015 0.000 0.262 679 M C 2.097 178.344 176.300 -0.088 0.000 1.065 679 M CA 1.554 56.764 55.300 -0.150 0.000 1.114 679 M CB -0.238 32.263 32.600 -0.164 0.000 1.361 679 M HN 0.116 nan 8.290 nan 0.000 0.408 680 K N 0.081 120.364 120.400 -0.195 0.000 2.103 680 K HA -0.135 4.176 4.320 -0.015 0.000 0.207 680 K C 1.679 178.164 176.600 -0.192 0.000 1.048 680 K CA 1.470 57.574 56.287 -0.306 0.000 0.930 680 K CB -0.250 31.849 32.500 -0.669 0.000 0.716 680 K HN 0.171 nan 8.250 nan 0.000 0.444 681 F N 0.729 120.605 119.950 -0.123 0.000 2.206 681 F HA -0.079 4.439 4.527 -0.016 0.000 0.298 681 F C 2.494 178.264 175.800 -0.050 0.000 1.090 681 F CA 1.015 58.968 58.000 -0.079 0.000 1.323 681 F CB -0.239 38.705 39.000 -0.093 0.000 1.028 681 F HN -0.009 nan 8.300 nan 0.000 0.492 682 M N -0.363 119.320 119.600 0.139 0.000 2.159 682 M HA -0.192 4.279 4.480 -0.015 0.000 0.263 682 M C 2.023 178.377 176.300 0.090 0.000 1.063 682 M CA 1.608 56.961 55.300 0.087 0.000 1.110 682 M CB -0.191 32.454 32.600 0.076 0.000 1.374 682 M HN 0.286 nan 8.290 nan 0.000 0.411 683 L N 0.438 121.713 121.223 0.086 0.000 2.395 683 L HA 0.003 4.334 4.340 -0.015 0.000 0.218 683 L C 1.099 178.016 176.870 0.077 0.000 1.130 683 L CA 1.331 56.228 54.840 0.096 0.000 0.826 683 L CB -0.378 41.748 42.059 0.112 0.000 0.941 683 L HN 0.292 nan 8.230 nan 0.000 0.451 684 N N 0.181 118.917 118.700 0.060 0.000 2.279 684 N HA 0.183 4.914 4.740 -0.015 0.000 0.226 684 N C 0.694 176.240 175.510 0.060 0.000 1.126 684 N CA 0.737 53.815 53.050 0.048 0.000 0.846 684 N CB 0.480 38.972 38.487 0.009 0.000 1.050 684 N HN 0.374 nan 8.380 nan 0.000 0.502 685 G N 0.720 109.558 108.800 0.064 0.000 2.212 685 G HA2 -0.201 3.750 3.960 -0.015 0.000 0.255 685 G HA3 -0.201 3.750 3.960 -0.015 0.000 0.255 685 G C -0.094 174.868 174.900 0.104 0.000 1.062 685 G CA 0.250 45.388 45.100 0.063 0.000 0.815 685 G HN 0.522 nan 8.290 nan 0.000 0.497 686 A N -0.571 122.316 122.820 0.112 0.000 2.355 686 A HA 0.887 5.198 4.320 -0.015 0.000 0.324 686 A C -0.249 177.335 177.584 -0.000 0.000 1.117 686 A CA -0.740 51.381 52.037 0.140 0.000 0.785 686 A CB 1.524 20.680 19.000 0.261 0.000 1.254 686 A HN 0.752 nan 8.150 nan 0.000 0.453 687 L N 0.919 122.107 121.223 -0.059 0.000 2.379 687 L HA 0.563 4.894 4.340 -0.015 0.000 0.269 687 L C 0.535 177.276 176.870 -0.215 0.000 1.084 687 L CA 0.508 55.216 54.840 -0.220 0.000 0.802 687 L CB 1.534 43.378 42.059 -0.358 0.000 1.175 687 L HN 0.739 nan 8.230 nan 0.000 0.448 688 T N 3.991 118.303 114.554 -0.403 0.000 2.779 688 T HA 0.504 4.845 4.350 -0.015 0.000 0.280 688 T C -0.230 174.354 174.700 -0.193 0.000 0.987 688 T CA -0.179 61.672 62.100 -0.414 0.000 0.966 688 T CB 0.881 69.339 68.868 -0.682 0.000 0.933 688 T HN 0.444 nan 8.240 nan 0.000 0.442 689 I N 3.147 123.695 120.570 -0.037 0.000 2.330 689 I HA 0.709 4.870 4.170 -0.015 0.000 0.289 689 I C 0.117 176.395 176.117 0.267 0.000 1.001 689 I CA 0.069 61.468 61.300 0.165 0.000 1.193 689 I CB 0.130 38.149 38.000 0.031 0.000 1.345 689 I HN 0.779 nan 8.210 nan 0.000 0.461 690 G N 4.044 113.063 108.800 0.366 0.000 2.663 690 G HA2 0.511 4.462 3.960 -0.015 0.000 0.299 690 G HA3 0.511 4.462 3.960 -0.015 0.000 0.299 690 G C -1.013 173.796 174.900 -0.152 0.000 1.372 690 G CA -0.373 44.844 45.100 0.195 0.000 0.781 690 G HN 0.544 nan 8.290 nan 0.000 0.491 691 T N -1.772 112.590 114.554 -0.320 0.000 2.943 691 T HA 0.518 4.859 4.350 -0.015 0.000 0.284 691 T C 0.629 175.210 174.700 -0.199 0.000 1.015 691 T CA -0.764 61.070 62.100 -0.443 0.000 1.042 691 T CB 1.398 69.997 68.868 -0.448 0.000 1.055 691 T HN 0.244 nan 8.240 nan 0.000 0.500 692 M N 3.065 122.559 119.600 -0.177 0.000 3.593 692 M HA 0.294 4.765 4.480 -0.015 0.000 0.204 692 M C -0.347 175.896 176.300 -0.095 0.000 1.569 692 M CA 0.044 55.274 55.300 -0.116 0.000 1.694 692 M CB -2.142 30.399 32.600 -0.099 0.000 1.149 692 M HN 0.730 nan 8.290 nan 0.000 0.552 693 D N -0.316 120.032 120.400 -0.086 0.000 2.671 693 D HA 0.673 5.304 4.640 -0.015 0.000 0.232 693 D C 0.718 176.992 176.300 -0.044 0.000 1.114 693 D CA 0.695 54.659 54.000 -0.060 0.000 0.858 693 D CB 1.675 42.439 40.800 -0.059 0.000 1.544 693 D HN 0.565 nan 8.370 nan 0.000 0.471 694 G N 1.624 110.408 108.800 -0.027 0.000 2.602 694 G HA2 -0.248 3.703 3.960 -0.015 0.000 0.306 694 G HA3 -0.248 3.703 3.960 -0.015 0.000 0.306 694 G C 1.055 175.946 174.900 -0.015 0.000 1.301 694 G CA 1.012 46.103 45.100 -0.015 0.000 0.974 694 G HN 1.077 nan 8.290 nan 0.000 0.547 695 A N -0.363 122.446 122.820 -0.018 0.000 2.216 695 A HA 0.025 4.336 4.320 -0.015 0.000 0.214 695 A C 2.117 179.645 177.584 -0.094 0.000 1.160 695 A CA 2.013 54.034 52.037 -0.027 0.000 0.725 695 A CB -0.495 18.471 19.000 -0.056 0.000 0.784 695 A HN 0.631 nan 8.150 nan 0.000 0.472 696 N N 0.318 118.966 118.700 -0.087 0.000 2.205 696 N HA -0.134 4.597 4.740 -0.015 0.000 0.186 696 N C 1.562 176.942 175.510 -0.218 0.000 1.015 696 N CA 1.526 54.510 53.050 -0.110 0.000 0.862 696 N CB -0.553 37.912 38.487 -0.037 0.000 0.986 696 N HN 0.305 nan 8.380 nan 0.000 0.429 697 V N 1.213 121.044 119.914 -0.138 0.000 2.343 697 V HA -0.195 3.916 4.120 -0.015 0.000 0.247 697 V C 1.917 177.937 176.094 -0.124 0.000 1.051 697 V CA 1.625 63.841 62.300 -0.140 0.000 1.036 697 V CB -0.468 31.309 31.823 -0.077 0.000 0.654 697 V HN 0.336 nan 8.190 nan 0.000 0.451 698 E N -0.674 119.513 120.200 -0.023 0.000 2.274 698 E HA -0.108 4.233 4.350 -0.015 0.000 0.194 698 E C 2.172 178.899 176.600 0.211 0.000 0.996 698 E CA 0.907 57.370 56.400 0.106 0.000 0.840 698 E CB -0.129 29.712 29.700 0.235 0.000 0.772 698 E HN 0.558 nan 8.360 nan 0.000 0.491 699 M N 0.283 119.899 119.600 0.027 0.000 2.098 699 M HA -0.086 4.385 4.480 -0.015 0.000 0.262 699 M C 2.498 178.605 176.300 -0.321 0.000 1.072 699 M CA 1.477 56.751 55.300 -0.044 0.000 1.133 699 M CB -0.141 32.321 32.600 -0.229 0.000 1.344 699 M HN 0.124 nan 8.290 nan 0.000 0.414 700 A N 0.093 122.375 122.820 -0.897 0.000 1.933 700 A HA -0.230 4.081 4.320 -0.015 0.000 0.218 700 A C 1.984 179.375 177.584 -0.321 0.000 1.175 700 A CA 2.039 53.510 52.037 -0.944 0.000 0.628 700 A CB -0.887 17.537 19.000 -0.959 0.000 0.814 700 A HN 0.614 nan 8.150 nan 0.000 0.444 701 E N -0.424 119.650 120.200 -0.210 0.000 2.110 701 E HA -0.215 4.126 4.350 -0.015 0.000 0.193 701 E C 1.690 178.261 176.600 -0.048 0.000 0.988 701 E CA 1.269 57.609 56.400 -0.099 0.000 0.804 701 E CB -0.088 29.572 29.700 -0.067 0.000 0.745 701 E HN 0.571 nan 8.360 nan 0.000 0.458 702 E N -0.097 120.100 120.200 -0.005 0.000 2.112 702 E HA -0.071 4.270 4.350 -0.015 0.000 0.190 702 E C 1.686 178.313 176.600 0.044 0.000 0.979 702 E CA 1.032 57.450 56.400 0.031 0.000 0.814 702 E CB 0.116 29.875 29.700 0.099 0.000 0.762 702 E HN 0.368 nan 8.360 nan 0.000 0.460 703 A N 0.318 123.175 122.820 0.060 0.000 2.267 703 A HA 0.404 4.715 4.320 -0.015 0.000 0.213 703 A C 0.929 178.541 177.584 0.047 0.000 1.192 703 A CA 0.825 52.915 52.037 0.087 0.000 0.851 703 A CB 0.221 19.335 19.000 0.191 0.000 0.881 703 A HN 0.190 nan 8.150 nan 0.000 0.494 704 G N -0.181 108.619 108.800 0.001 0.000 3.190 704 G HA2 -0.124 3.827 3.960 -0.015 0.000 0.686 704 G HA3 -0.124 3.827 3.960 -0.015 0.000 0.686 704 G C -0.016 174.879 174.900 -0.009 0.000 1.033 704 G CA -0.015 45.077 45.100 -0.014 0.000 0.797 704 G HN 0.295 nan 8.290 nan 0.000 0.567 705 E N 0.963 121.140 120.200 -0.037 0.000 2.331 705 E HA -0.148 4.193 4.350 -0.015 0.000 0.199 705 E C 2.033 178.625 176.600 -0.013 0.000 1.008 705 E CA 1.685 58.071 56.400 -0.024 0.000 0.843 705 E CB 0.089 29.767 29.700 -0.038 0.000 0.761 705 E HN 0.801 nan 8.360 nan 0.000 0.507 706 E N 0.510 120.689 120.200 -0.034 0.000 2.208 706 E HA -0.064 4.277 4.350 -0.015 0.000 0.193 706 E C 0.894 177.413 176.600 -0.136 0.000 0.988 706 E CA 0.626 56.982 56.400 -0.073 0.000 0.828 706 E CB 0.086 29.755 29.700 -0.052 0.000 0.763 706 E HN 0.160 nan 8.360 nan 0.000 0.478 707 N N -0.145 118.507 118.700 -0.080 0.000 2.279 707 N HA 0.146 4.878 4.740 -0.015 0.000 0.226 707 N C -0.971 174.463 175.510 -0.126 0.000 1.126 707 N CA 0.107 53.077 53.050 -0.133 0.000 0.846 707 N CB 0.405 38.866 38.487 -0.043 0.000 1.050 707 N HN 0.033 nan 8.380 nan 0.000 0.502 708 F N -0.355 119.390 119.950 -0.342 0.000 2.588 708 F HA 0.409 4.926 4.527 -0.016 0.000 0.310 708 F C -0.860 174.728 175.800 -0.352 0.000 1.082 708 F CA -1.066 56.775 58.000 -0.265 0.000 0.929 708 F CB 1.441 40.373 39.000 -0.114 0.000 1.254 708 F HN -0.210 nan 8.300 nan 0.000 0.455 709 F N 5.116 125.083 119.950 0.028 0.000 2.318 709 F HA 0.439 4.957 4.527 -0.015 0.000 0.356 709 F C -0.382 175.563 175.800 0.242 0.000 1.109 709 F CA -0.476 57.580 58.000 0.094 0.000 1.234 709 F CB 0.037 39.039 39.000 0.003 0.000 1.545 709 F HN 0.048 nan 8.300 nan 0.000 0.534 710 I N 3.512 124.295 120.570 0.355 0.000 2.499 710 I HA 0.463 4.624 4.170 -0.015 0.000 0.296 710 I C -0.114 176.196 176.117 0.321 0.000 0.992 710 I CA -0.460 61.006 61.300 0.277 0.000 1.297 710 I CB 0.776 38.855 38.000 0.132 0.000 1.410 710 I HN 0.383 nan 8.210 nan 0.000 0.507 711 F N 2.458 122.477 119.950 0.116 0.000 2.831 711 F HA 0.885 5.403 4.527 -0.015 0.000 0.318 711 F C 0.060 175.904 175.800 0.074 0.000 1.174 711 F CA -0.548 57.511 58.000 0.099 0.000 0.918 711 F CB 0.598 39.674 39.000 0.126 0.000 1.364 711 F HN 0.875 nan 8.300 nan 0.000 0.475 712 G N 0.881 109.780 108.800 0.166 0.000 2.855 712 G HA2 -0.134 3.817 3.960 -0.015 0.000 0.352 712 G HA3 -0.134 3.817 3.960 -0.015 0.000 0.352 712 G C -0.767 174.114 174.900 -0.033 0.000 1.415 712 G CA -0.451 44.663 45.100 0.023 0.000 0.871 712 G HN 0.969 nan 8.290 nan 0.000 0.543 713 M N 0.663 120.253 119.600 -0.017 0.000 2.252 713 M HA 0.246 4.717 4.480 -0.015 0.000 0.333 713 M C 1.198 177.468 176.300 -0.050 0.000 1.111 713 M CA 0.084 55.378 55.300 -0.009 0.000 1.140 713 M CB 0.378 32.980 32.600 0.003 0.000 1.538 713 M HN 0.561 nan 8.290 nan 0.000 0.448 714 R N 1.493 121.976 120.500 -0.028 0.000 2.608 714 R HA 0.323 4.654 4.340 -0.015 0.000 0.255 714 R C 1.138 177.420 176.300 -0.030 0.000 1.086 714 R CA -0.681 55.395 56.100 -0.040 0.000 1.125 714 R CB -0.108 30.175 30.300 -0.028 0.000 1.193 714 R HN 0.563 nan 8.270 nan 0.000 0.553 715 V N 1.883 121.777 119.914 -0.033 0.000 2.282 715 V HA -0.275 3.836 4.120 -0.015 0.000 0.249 715 V C 2.153 178.237 176.094 -0.016 0.000 1.057 715 V CA 2.198 64.482 62.300 -0.027 0.000 1.032 715 V CB -0.460 31.345 31.823 -0.031 0.000 0.645 715 V HN 0.653 nan 8.190 nan 0.000 0.447 716 E N 0.014 120.206 120.200 -0.013 0.000 2.085 716 E HA -0.254 4.087 4.350 -0.015 0.000 0.194 716 E C 1.809 178.414 176.600 0.008 0.000 0.994 716 E CA 1.642 58.040 56.400 -0.004 0.000 0.801 716 E CB -0.838 28.860 29.700 -0.003 0.000 0.743 716 E HN 0.634 nan 8.360 nan 0.000 0.453 717 D N 1.154 121.561 120.400 0.012 0.000 2.117 717 D HA -0.098 4.533 4.640 -0.015 0.000 0.197 717 D C 2.243 178.562 176.300 0.032 0.000 0.987 717 D CA 1.209 55.227 54.000 0.030 0.000 0.829 717 D CB -0.061 40.760 40.800 0.036 0.000 0.961 717 D HN 0.062 nan 8.370 nan 0.000 0.460 718 V N 2.050 121.970 119.914 0.011 0.000 2.255 718 V HA -0.241 3.870 4.120 -0.015 0.000 0.247 718 V C 2.067 178.167 176.094 0.009 0.000 1.051 718 V CA 1.844 64.145 62.300 0.001 0.000 1.018 718 V CB -0.464 31.350 31.823 -0.016 0.000 0.641 718 V HN 0.056 nan 8.190 nan 0.000 0.445 719 D N -0.397 120.007 120.400 0.007 0.000 2.097 719 D HA -0.169 4.462 4.640 -0.015 0.000 0.195 719 D C 2.351 178.666 176.300 0.025 0.000 0.989 719 D CA 1.323 55.329 54.000 0.010 0.000 0.827 719 D CB -0.293 40.508 40.800 0.002 0.000 0.966 719 D HN 0.307 nan 8.370 nan 0.000 0.456 720 R N 0.267 120.786 120.500 0.032 0.000 2.096 720 R HA -0.103 4.228 4.340 -0.015 0.000 0.240 720 R C 2.521 178.859 176.300 0.063 0.000 1.139 720 R CA 0.800 56.926 56.100 0.043 0.000 0.952 720 R CB -0.476 29.853 30.300 0.047 0.000 0.854 720 R HN 0.186 nan 8.270 nan 0.000 0.436 721 L N 0.451 121.722 121.223 0.080 0.000 2.079 721 L HA -0.238 4.093 4.340 -0.015 0.000 0.210 721 L C 1.522 178.462 176.870 0.117 0.000 1.081 721 L CA 1.471 56.386 54.840 0.125 0.000 0.752 721 L CB -0.311 41.838 42.059 0.150 0.000 0.896 721 L HN 0.303 nan 8.230 nan 0.000 0.433 722 D N -0.952 119.492 120.400 0.074 0.000 2.178 722 D HA -0.158 4.473 4.640 -0.015 0.000 0.202 722 D C 2.293 178.628 176.300 0.057 0.000 0.974 722 D CA 0.753 54.791 54.000 0.062 0.000 0.841 722 D CB 0.072 40.888 40.800 0.027 0.000 0.953 722 D HN 0.382 nan 8.370 nan 0.000 0.478 723 Q N 0.532 120.361 119.800 0.048 0.000 2.020 723 Q HA -0.104 4.227 4.340 -0.015 0.000 0.202 723 Q C 2.286 178.316 176.000 0.049 0.000 0.982 723 Q CA 0.818 56.645 55.803 0.040 0.000 0.838 723 Q CB -0.453 28.305 28.738 0.034 0.000 0.899 723 Q HN 0.297 nan 8.270 nan 0.000 0.423 724 R N 0.252 120.788 120.500 0.060 0.000 2.083 724 R HA -0.079 4.252 4.340 -0.015 0.000 0.237 724 R C 0.241 176.584 176.300 0.072 0.000 1.137 724 R CA 1.295 57.434 56.100 0.064 0.000 0.951 724 R CB -0.184 30.164 30.300 0.079 0.000 0.851 724 R HN 0.427 nan 8.270 nan 0.000 0.434 725 G N -0.640 108.220 108.800 0.099 0.000 3.226 725 G HA2 -0.224 3.727 3.960 -0.015 0.000 0.685 725 G HA3 -0.224 3.727 3.960 -0.015 0.000 0.685 725 G C -1.437 173.562 174.900 0.166 0.000 1.207 725 G CA -0.478 44.688 45.100 0.111 0.000 0.877 725 G HN 0.303 nan 8.290 nan 0.000 0.585 726 Y N 3.818 124.157 120.300 0.064 0.000 2.404 726 Y HA 0.594 5.135 4.550 -0.015 0.000 0.344 726 Y C 0.303 176.266 175.900 0.105 0.000 0.995 726 Y CA -0.931 57.226 58.100 0.095 0.000 1.201 726 Y CB 0.988 39.483 38.460 0.059 0.000 1.151 726 Y HN 0.568 nan 8.280 nan 0.000 0.517 727 N N 5.220 123.684 118.700 -0.392 0.000 2.569 727 N HA 0.265 4.996 4.740 -0.015 0.000 0.254 727 N C 0.131 175.398 175.510 -0.405 0.000 1.004 727 N CA 0.316 53.163 53.050 -0.339 0.000 0.904 727 N CB 1.591 40.011 38.487 -0.112 0.000 1.165 727 N HN 0.887 nan 8.380 nan 0.000 0.513 728 A N 3.062 125.573 122.820 -0.514 0.000 1.972 728 A HA -0.213 4.098 4.320 -0.015 0.000 0.219 728 A C 1.941 179.680 177.584 0.258 0.000 1.169 728 A CA 1.406 53.419 52.037 -0.040 0.000 0.635 728 A CB -0.322 18.649 19.000 -0.048 0.000 0.810 728 A HN 0.756 nan 8.150 nan 0.000 0.446 729 Q N 0.165 120.006 119.800 0.069 0.000 2.112 729 Q HA -0.243 4.088 4.340 -0.015 0.000 0.206 729 Q C 1.905 177.974 176.000 0.115 0.000 0.987 729 Q CA 2.320 58.171 55.803 0.080 0.000 0.858 729 Q CB -0.345 28.398 28.738 0.009 0.000 0.905 729 Q HN 0.764 nan 8.270 nan 0.000 0.420 730 E N -1.318 118.892 120.200 0.017 0.000 2.070 730 E HA -0.246 4.095 4.350 -0.015 0.000 0.197 730 E C 1.676 178.193 176.600 -0.139 0.000 1.004 730 E CA 1.634 57.967 56.400 -0.113 0.000 0.805 730 E CB -0.219 29.316 29.700 -0.276 0.000 0.744 730 E HN 0.575 nan 8.360 nan 0.000 0.451 731 Y N -1.306 119.025 120.300 0.051 0.000 2.293 731 Y HA -0.203 4.338 4.550 -0.015 0.000 0.291 731 Y C 2.113 177.948 175.900 -0.108 0.000 1.137 731 Y CA 1.385 59.487 58.100 0.003 0.000 1.202 731 Y CB -0.484 38.017 38.460 0.069 0.000 0.990 731 Y HN 0.258 nan 8.280 nan 0.000 0.537 732 Y N 0.998 121.261 120.300 -0.062 0.000 2.242 732 Y HA -0.215 4.326 4.550 -0.015 0.000 0.291 732 Y C 1.818 177.651 175.900 -0.112 0.000 1.137 732 Y CA 1.590 59.586 58.100 -0.173 0.000 1.181 732 Y CB -0.250 38.161 38.460 -0.081 0.000 0.989 732 Y HN 0.044 nan 8.280 nan 0.000 0.527 733 D N -0.136 120.316 120.400 0.086 0.000 2.123 733 D HA -0.105 4.526 4.640 -0.015 0.000 0.200 733 D C 1.938 178.188 176.300 -0.083 0.000 0.976 733 D CA 1.209 55.215 54.000 0.009 0.000 0.831 733 D CB -0.087 40.741 40.800 0.047 0.000 0.974 733 D HN 0.459 nan 8.370 nan 0.000 0.469 734 R N 0.058 120.508 120.500 -0.083 0.000 2.276 734 R HA 0.184 4.515 4.340 -0.015 0.000 0.196 734 R C 0.416 176.671 176.300 -0.075 0.000 0.961 734 R CA 0.184 56.238 56.100 -0.077 0.000 1.024 734 R CB 0.571 30.826 30.300 -0.076 0.000 0.940 734 R HN 0.183 nan 8.270 nan 0.000 0.480 735 I N 2.342 122.841 120.570 -0.117 0.000 2.437 735 I HA 0.208 4.369 4.170 -0.015 0.000 0.279 735 I C -1.852 174.146 176.117 -0.199 0.000 1.028 735 I CA -2.456 58.778 61.300 -0.110 0.000 1.142 735 I CB 2.237 40.191 38.000 -0.077 0.000 1.266 735 I HN -0.259 nan 8.210 nan 0.000 0.461 736 P HA -0.167 nan 4.420 nan 0.000 0.215 736 P C 1.248 178.444 177.300 -0.174 0.000 1.157 736 P CA 1.363 64.359 63.100 -0.174 0.000 0.868 736 P CB 0.288 31.923 31.700 -0.109 0.000 0.788 737 E N -0.816 119.323 120.200 -0.101 0.000 2.070 737 E HA -0.209 4.132 4.350 -0.015 0.000 0.197 737 E C 1.920 178.435 176.600 -0.143 0.000 1.004 737 E CA 1.008 57.372 56.400 -0.060 0.000 0.805 737 E CB -0.742 28.993 29.700 0.059 0.000 0.744 737 E HN 0.091 nan 8.360 nan 0.000 0.451 738 L N 1.463 122.512 121.223 -0.291 0.000 2.046 738 L HA -0.176 4.155 4.340 -0.015 0.000 0.208 738 L C 2.381 178.991 176.870 -0.434 0.000 1.077 738 L CA 1.748 56.256 54.840 -0.553 0.000 0.747 738 L CB -0.493 41.072 42.059 -0.824 0.000 0.896 738 L HN -0.048 nan 8.230 nan 0.000 0.432 739 R N -0.799 119.406 120.500 -0.492 0.000 2.083 739 R HA -0.246 4.085 4.340 -0.015 0.000 0.237 739 R C 2.415 178.553 176.300 -0.270 0.000 1.137 739 R CA 2.020 57.741 56.100 -0.632 0.000 0.951 739 R CB -0.440 29.400 30.300 -0.766 0.000 0.851 739 R HN 0.631 nan 8.270 nan 0.000 0.434 740 Q N 0.397 120.074 119.800 -0.205 0.000 2.152 740 Q HA -0.202 4.129 4.340 -0.015 0.000 0.206 740 Q C 2.044 178.007 176.000 -0.062 0.000 0.985 740 Q CA 2.019 57.751 55.803 -0.119 0.000 0.863 740 Q CB -0.110 28.559 28.738 -0.115 0.000 0.904 740 Q HN 0.503 nan 8.270 nan 0.000 0.422 741 I N -0.089 120.450 120.570 -0.051 0.000 2.202 741 I HA -0.267 3.894 4.170 -0.015 0.000 0.242 741 I C 2.123 178.292 176.117 0.086 0.000 1.091 741 I CA 0.684 62.004 61.300 0.033 0.000 1.368 741 I CB -0.173 37.837 38.000 0.016 0.000 1.058 741 I HN 0.215 nan 8.210 nan 0.000 0.410 742 I N 0.874 121.488 120.570 0.075 0.000 2.208 742 I HA -0.286 3.875 4.170 -0.015 0.000 0.245 742 I C 2.413 178.639 176.117 0.182 0.000 1.097 742 I CA 1.675 63.079 61.300 0.173 0.000 1.363 742 I CB -0.365 37.818 38.000 0.304 0.000 1.051 742 I HN 0.198 nan 8.210 nan 0.000 0.413 743 E N -0.402 119.888 120.200 0.150 0.000 2.274 743 E HA -0.235 4.106 4.350 -0.015 0.000 0.194 743 E C 2.104 178.777 176.600 0.121 0.000 0.996 743 E CA 0.641 57.120 56.400 0.133 0.000 0.840 743 E CB -0.124 29.632 29.700 0.094 0.000 0.772 743 E HN 0.596 nan 8.360 nan 0.000 0.491 744 Q N 0.461 120.329 119.800 0.114 0.000 2.083 744 Q HA -0.063 4.268 4.340 -0.015 0.000 0.198 744 Q C 2.242 178.439 176.000 0.328 0.000 0.969 744 Q CA 0.809 56.699 55.803 0.146 0.000 0.838 744 Q CB 0.135 28.919 28.738 0.078 0.000 0.900 744 Q HN 0.281 nan 8.270 nan 0.000 0.436 745 L N -0.520 120.900 121.223 0.328 0.000 2.056 745 L HA -0.138 4.193 4.340 -0.015 0.000 0.207 745 L C 2.362 179.414 176.870 0.303 0.000 1.078 745 L CA 0.799 55.845 54.840 0.343 0.000 0.749 745 L CB -0.292 41.891 42.059 0.206 0.000 0.901 745 L HN 0.117 nan 8.230 nan 0.000 0.433 746 S N -0.344 115.493 115.700 0.227 0.000 2.423 746 S HA -0.121 4.340 4.470 -0.015 0.000 0.231 746 S C 1.985 176.687 174.600 0.170 0.000 1.014 746 S CA 1.471 59.782 58.200 0.186 0.000 0.965 746 S CB -0.096 63.193 63.200 0.148 0.000 0.785 746 S HN 0.591 nan 8.310 nan 0.000 0.495 747 S N -0.251 115.555 115.700 0.176 0.000 2.556 747 S HA 0.421 4.883 4.470 -0.015 0.000 0.216 747 S C 1.320 176.015 174.600 0.158 0.000 0.970 747 S CA 0.520 58.808 58.200 0.148 0.000 0.912 747 S CB 0.372 63.647 63.200 0.126 0.000 0.790 747 S HN 0.674 nan 8.310 nan 0.000 0.504 748 G N 1.052 109.978 108.800 0.210 0.000 2.141 748 G HA2 -0.313 3.638 3.960 -0.015 0.000 0.231 748 G HA3 -0.313 3.638 3.960 -0.015 0.000 0.231 748 G C 0.234 175.224 174.900 0.149 0.000 0.984 748 G CA 0.107 45.318 45.100 0.185 0.000 0.660 748 G HN 0.552 nan 8.290 nan 0.000 0.525 749 F N 0.227 120.189 119.950 0.019 0.000 2.202 749 F HA 0.153 4.671 4.527 -0.015 0.000 0.301 749 F C 1.855 177.479 175.800 -0.294 0.000 1.082 749 F CA 2.058 59.954 58.000 -0.173 0.000 1.313 749 F CB -0.050 38.772 39.000 -0.296 0.000 1.024 749 F HN 0.163 nan 8.300 nan 0.000 0.495 750 F N -0.220 119.766 119.950 0.060 0.000 2.695 750 F HA 0.204 4.722 4.527 -0.015 0.000 0.303 750 F C 0.614 176.472 175.800 0.098 0.000 1.091 750 F CA 0.219 58.210 58.000 -0.016 0.000 1.300 750 F CB 0.013 39.037 39.000 0.041 0.000 1.071 750 F HN -0.038 nan 8.300 nan 0.000 0.578 751 S N -1.695 114.143 115.700 0.231 0.000 2.440 751 S HA 0.319 4.780 4.470 -0.015 0.000 0.142 751 S C -2.476 172.155 174.600 0.052 0.000 1.578 751 S CA -1.085 57.201 58.200 0.143 0.000 1.260 751 S CB 1.016 64.289 63.200 0.122 0.000 1.407 751 S HN -0.193 nan 8.310 nan 0.000 0.392 752 P HA -0.158 nan 4.420 nan 0.000 0.212 752 P C 1.268 178.568 177.300 0.001 0.000 1.178 752 P CA 1.547 64.638 63.100 -0.014 0.000 0.915 752 P CB 0.068 31.739 31.700 -0.048 0.000 0.788 753 K N -0.839 119.560 120.400 -0.002 0.000 2.152 753 K HA -0.127 4.184 4.320 -0.015 0.000 0.206 753 K C 0.700 177.303 176.600 0.005 0.000 1.048 753 K CA 1.144 57.433 56.287 0.002 0.000 0.933 753 K CB -0.338 32.164 32.500 0.003 0.000 0.721 753 K HN 0.363 nan 8.250 nan 0.000 0.447 754 Q N -0.192 119.609 119.800 0.002 0.000 2.788 754 Q HA 0.156 4.487 4.340 -0.015 0.000 0.261 754 Q C -2.314 173.684 176.000 -0.003 0.000 1.029 754 Q CA -1.635 54.164 55.803 -0.007 0.000 0.848 754 Q CB 1.543 30.268 28.738 -0.022 0.000 1.185 754 Q HN -0.067 nan 8.270 nan 0.000 0.482 755 P HA -0.226 nan 4.420 nan 0.000 0.218 755 P C 0.579 177.921 177.300 0.069 0.000 1.146 755 P CA 1.391 64.526 63.100 0.058 0.000 0.813 755 P CB 0.226 31.959 31.700 0.056 0.000 0.778 756 D N -1.160 119.262 120.400 0.038 0.000 2.368 756 D HA -0.009 4.622 4.640 -0.015 0.000 0.218 756 D C 1.611 177.916 176.300 0.007 0.000 1.112 756 D CA -0.237 53.792 54.000 0.049 0.000 0.834 756 D CB -0.477 40.350 40.800 0.046 0.000 0.953 756 D HN 0.010 nan 8.370 nan 0.000 0.505 757 L N 0.102 121.269 121.223 -0.093 0.000 2.089 757 L HA -0.094 4.237 4.340 -0.015 0.000 0.213 757 L C 1.011 177.658 176.870 -0.372 0.000 1.079 757 L CA 1.676 56.338 54.840 -0.296 0.000 0.758 757 L CB -0.631 41.075 42.059 -0.588 0.000 0.891 757 L HN -0.003 nan 8.230 nan 0.000 0.433 758 F N -0.833 119.171 119.950 0.091 0.000 2.750 758 F HA 0.155 4.673 4.527 -0.015 0.000 0.297 758 F C 1.734 177.586 175.800 0.087 0.000 1.138 758 F CA -0.238 57.807 58.000 0.075 0.000 1.346 758 F CB -0.243 38.790 39.000 0.054 0.000 0.965 758 F HN 0.086 nan 8.300 nan 0.000 0.514 759 K N -0.669 119.850 120.400 0.198 0.000 2.097 759 K HA -0.148 4.163 4.320 -0.015 0.000 0.206 759 K C 0.998 177.702 176.600 0.174 0.000 1.049 759 K CA 1.810 58.198 56.287 0.168 0.000 0.933 759 K CB -0.205 32.369 32.500 0.125 0.000 0.717 759 K HN 0.036 nan 8.250 nan 0.000 0.442 760 D N 1.255 121.769 120.400 0.190 0.000 2.117 760 D HA -0.099 4.532 4.640 -0.015 0.000 0.197 760 D C 2.003 178.416 176.300 0.188 0.000 0.987 760 D CA 1.148 55.273 54.000 0.207 0.000 0.829 760 D CB -0.143 40.815 40.800 0.263 0.000 0.961 760 D HN 0.293 nan 8.370 nan 0.000 0.460 761 I N 0.360 121.040 120.570 0.183 0.000 2.163 761 I HA -0.221 3.940 4.170 -0.015 0.000 0.240 761 I C 2.469 178.641 176.117 0.092 0.000 1.081 761 I CA 0.602 61.978 61.300 0.128 0.000 1.353 761 I CB -0.213 37.858 38.000 0.118 0.000 1.054 761 I HN -0.127 nan 8.210 nan 0.000 0.407 762 V N 0.950 120.934 119.914 0.117 0.000 2.287 762 V HA -0.341 3.770 4.120 -0.015 0.000 0.248 762 V C 2.167 178.270 176.094 0.015 0.000 1.053 762 V CA 2.563 64.913 62.300 0.084 0.000 1.027 762 V CB -1.040 30.855 31.823 0.119 0.000 0.646 762 V HN 0.503 nan 8.190 nan 0.000 0.447 763 N N -0.415 118.327 118.700 0.069 0.000 2.043 763 N HA -0.259 4.472 4.740 -0.015 0.000 0.193 763 N C 2.014 177.489 175.510 -0.058 0.000 1.037 763 N CA 2.006 55.104 53.050 0.080 0.000 0.851 763 N CB -0.199 38.412 38.487 0.206 0.000 1.027 763 N HN 0.384 nan 8.380 nan 0.000 0.422 764 M N 0.152 119.786 119.600 0.056 0.000 2.080 764 M HA -0.164 4.307 4.480 -0.015 0.000 0.260 764 M C 1.596 177.817 176.300 -0.131 0.000 1.068 764 M CA 1.410 56.751 55.300 0.069 0.000 1.109 764 M CB -0.416 32.291 32.600 0.178 0.000 1.342 764 M HN 0.261 nan 8.290 nan 0.000 0.405 765 L N 0.783 121.908 121.223 -0.164 0.000 2.042 765 L HA -0.217 4.114 4.340 -0.015 0.000 0.210 765 L C 2.438 179.007 176.870 -0.502 0.000 1.076 765 L CA 1.724 56.349 54.840 -0.359 0.000 0.749 765 L CB -1.066 40.810 42.059 -0.305 0.000 0.893 765 L HN 0.400 nan 8.230 nan 0.000 0.432 766 M N -2.027 117.311 119.600 -0.437 0.000 2.334 766 M HA -0.053 4.418 4.480 -0.015 0.000 0.266 766 M C 1.798 177.636 176.300 -0.769 0.000 1.082 766 M CA 1.254 56.206 55.300 -0.581 0.000 1.141 766 M CB -0.735 31.412 32.600 -0.755 0.000 1.380 766 M HN 0.331 nan 8.290 nan 0.000 0.440 767 H N -1.708 117.146 119.070 -0.360 0.000 2.927 767 H HA 0.210 4.757 4.556 -0.015 0.000 0.255 767 H C 0.118 175.167 175.328 -0.465 0.000 0.974 767 H CA 0.611 56.383 56.048 -0.460 0.000 1.199 767 H CB 0.226 29.657 29.762 -0.552 0.000 1.447 767 H HN 0.551 nan 8.280 nan 0.000 0.467 768 H N -0.354 118.770 119.070 0.089 0.000 2.716 768 H HA 0.211 4.758 4.556 -0.015 0.000 0.230 768 H C -0.873 174.460 175.328 0.009 0.000 1.401 768 H CA -0.518 55.566 56.048 0.060 0.000 1.168 768 H CB 0.453 30.254 29.762 0.065 0.000 1.935 768 H HN -0.070 nan 8.280 nan 0.000 0.538 769 D N 1.394 121.814 120.400 0.033 0.000 2.393 769 D HA 0.105 4.736 4.640 -0.015 0.000 0.232 769 D C 0.956 177.168 176.300 -0.148 0.000 1.192 769 D CA -0.249 53.732 54.000 -0.033 0.000 0.882 769 D CB 0.623 41.380 40.800 -0.072 0.000 1.038 769 D HN 0.380 nan 8.370 nan 0.000 0.499 770 R N 2.316 122.621 120.500 -0.326 0.000 2.235 770 R HA -0.041 4.290 4.340 -0.015 0.000 0.213 770 R C 0.514 176.275 176.300 -0.899 0.000 1.059 770 R CA 0.824 56.521 56.100 -0.671 0.000 0.997 770 R CB 0.156 29.834 30.300 -1.036 0.000 0.884 770 R HN 0.405 nan 8.270 nan 0.000 0.462 771 F N 1.360 121.255 119.950 -0.093 0.000 2.708 771 F HA 0.198 4.716 4.527 -0.015 0.000 0.300 771 F C 0.014 175.671 175.800 -0.238 0.000 1.118 771 F CA -0.865 57.063 58.000 -0.121 0.000 1.307 771 F CB 0.098 39.085 39.000 -0.021 0.000 0.986 771 F HN -0.180 nan 8.300 nan 0.000 0.522 772 K N -0.692 119.472 120.400 -0.393 0.000 4.166 772 K HA -0.207 4.104 4.320 -0.015 0.000 0.276 772 K C 0.698 177.152 176.600 -0.243 0.000 0.808 772 K CA 0.262 56.129 56.287 -0.701 0.000 0.717 772 K CB -1.889 29.948 32.500 -1.107 0.000 1.774 772 K HN 0.285 nan 8.250 nan 0.000 0.427 773 V N 0.938 120.786 119.914 -0.111 0.000 2.295 773 V HA -0.255 3.856 4.120 -0.015 0.000 0.246 773 V C 2.234 178.438 176.094 0.183 0.000 1.049 773 V CA 2.170 64.485 62.300 0.025 0.000 1.024 773 V CB -0.625 31.206 31.823 0.013 0.000 0.648 773 V HN 0.625 nan 8.190 nan 0.000 0.447 774 F N 0.420 120.378 119.950 0.013 0.000 2.126 774 F HA -0.257 4.261 4.527 -0.015 0.000 0.299 774 F C 2.573 178.195 175.800 -0.297 0.000 1.096 774 F CA 0.811 58.767 58.000 -0.073 0.000 1.255 774 F CB -0.473 38.493 39.000 -0.057 0.000 0.997 774 F HN 0.204 nan 8.300 nan 0.000 0.479 775 A N -0.454 122.225 122.820 -0.234 0.000 2.032 775 A HA -0.227 4.084 4.320 -0.015 0.000 0.221 775 A C 1.381 178.976 177.584 0.018 0.000 1.165 775 A CA 2.113 53.944 52.037 -0.343 0.000 0.645 775 A CB -0.515 18.409 19.000 -0.128 0.000 0.807 775 A HN 0.274 nan 8.150 nan 0.000 0.453 776 D N -3.004 117.465 120.400 0.115 0.000 2.395 776 D HA 0.126 4.758 4.640 -0.015 0.000 0.213 776 D C 1.051 177.534 176.300 0.304 0.000 1.110 776 D CA -0.133 54.009 54.000 0.237 0.000 0.835 776 D CB -0.131 40.819 40.800 0.250 0.000 0.965 776 D HN 0.588 nan 8.370 nan 0.000 0.505 777 Y N 2.038 122.432 120.300 0.157 0.000 2.070 777 Y HA -0.212 4.329 4.550 -0.014 0.000 0.279 777 Y C 2.120 178.114 175.900 0.157 0.000 1.134 777 Y CA 1.863 60.067 58.100 0.174 0.000 1.113 777 Y CB 0.165 38.706 38.460 0.136 0.000 0.981 777 Y HN -0.126 nan 8.280 nan 0.000 0.487 778 E N 0.067 120.444 120.200 0.295 0.000 2.065 778 E HA -0.308 4.033 4.350 -0.015 0.000 0.201 778 E C 2.192 178.805 176.600 0.022 0.000 1.016 778 E CA 1.898 58.376 56.400 0.130 0.000 0.818 778 E CB -0.266 29.573 29.700 0.231 0.000 0.749 778 E HN 0.630 nan 8.360 nan 0.000 0.453 779 E N -0.564 119.710 120.200 0.122 0.000 2.204 779 E HA -0.184 4.157 4.350 -0.015 0.000 0.194 779 E C 1.830 178.431 176.600 0.002 0.000 0.989 779 E CA 0.503 56.983 56.400 0.133 0.000 0.824 779 E CB -0.027 29.840 29.700 0.277 0.000 0.756 779 E HN 0.258 nan 8.360 nan 0.000 0.477 780 Y N 0.616 120.722 120.300 -0.323 0.000 2.153 780 Y HA -0.183 4.358 4.550 -0.015 0.000 0.289 780 Y C 2.172 177.674 175.900 -0.664 0.000 1.127 780 Y CA 1.476 59.048 58.100 -0.880 0.000 1.131 780 Y CB -0.604 37.380 38.460 -0.794 0.000 0.995 780 Y HN -0.038 nan 8.280 nan 0.000 0.505 781 V N -0.329 119.216 119.914 -0.615 0.000 2.427 781 V HA -0.165 3.946 4.120 -0.015 0.000 0.248 781 V C 2.211 178.078 176.094 -0.378 0.000 1.051 781 V CA 2.250 64.202 62.300 -0.580 0.000 1.048 781 V CB -0.658 30.898 31.823 -0.446 0.000 0.666 781 V HN 0.231 nan 8.190 nan 0.000 0.456 782 K N 0.061 120.306 120.400 -0.259 0.000 2.009 782 K HA -0.135 4.176 4.320 -0.015 0.000 0.210 782 K C 2.309 178.821 176.600 -0.147 0.000 1.049 782 K CA 2.101 58.305 56.287 -0.139 0.000 0.929 782 K CB -1.379 31.088 32.500 -0.055 0.000 0.714 782 K HN 0.671 nan 8.250 nan 0.000 0.440 783 C N 0.889 120.077 119.300 -0.187 0.000 2.425 783 C HA -0.086 4.365 4.460 -0.015 0.000 0.277 783 C C 2.440 177.263 174.990 -0.278 0.000 1.280 783 C CA 0.720 59.657 59.018 -0.135 0.000 1.744 783 C CB -0.743 26.943 27.740 -0.090 0.000 1.989 783 C HN 0.455 nan 8.230 nan 0.000 0.491 784 Q N 0.364 119.857 119.800 -0.513 0.000 2.170 784 Q HA -0.175 4.156 4.340 -0.015 0.000 0.203 784 Q C 1.968 177.779 176.000 -0.315 0.000 0.976 784 Q CA 1.582 57.043 55.803 -0.570 0.000 0.858 784 Q CB -0.365 27.828 28.738 -0.909 0.000 0.907 784 Q HN 0.756 nan 8.270 nan 0.000 0.433 785 E N 0.145 120.219 120.200 -0.211 0.000 2.110 785 E HA -0.136 4.205 4.350 -0.015 0.000 0.193 785 E C 2.078 178.647 176.600 -0.052 0.000 0.988 785 E CA 0.618 56.955 56.400 -0.106 0.000 0.804 785 E CB 0.065 29.721 29.700 -0.073 0.000 0.745 785 E HN 0.247 nan 8.360 nan 0.000 0.458 786 R N 0.366 120.849 120.500 -0.028 0.000 2.096 786 R HA -0.115 4.216 4.340 -0.015 0.000 0.235 786 R C 2.687 179.058 176.300 0.117 0.000 1.127 786 R CA 1.491 57.653 56.100 0.103 0.000 0.968 786 R CB -0.647 29.787 30.300 0.224 0.000 0.861 786 R HN 0.238 nan 8.270 nan 0.000 0.440 787 V N -1.193 118.591 119.914 -0.216 0.000 2.453 787 V HA -0.130 3.981 4.120 -0.015 0.000 0.247 787 V C 1.999 178.124 176.094 0.052 0.000 1.048 787 V CA 1.911 64.008 62.300 -0.340 0.000 1.049 787 V CB -0.250 31.070 31.823 -0.839 0.000 0.672 787 V HN 0.081 nan 8.190 nan 0.000 0.457 788 S N 0.920 116.589 115.700 -0.052 0.000 2.382 788 S HA -0.053 4.408 4.470 -0.015 0.000 0.228 788 S C 2.271 176.927 174.600 0.092 0.000 1.027 788 S CA 1.663 59.852 58.200 -0.017 0.000 0.991 788 S CB -0.677 62.486 63.200 -0.062 0.000 0.823 788 S HN 0.983 nan 8.310 nan 0.000 0.469 789 A N 1.602 124.488 122.820 0.109 0.000 1.865 789 A HA -0.036 4.275 4.320 -0.015 0.000 0.217 789 A C 2.088 179.791 177.584 0.197 0.000 1.191 789 A CA 1.217 53.337 52.037 0.138 0.000 0.623 789 A CB -0.899 18.178 19.000 0.128 0.000 0.826 789 A HN 0.457 nan 8.150 nan 0.000 0.444 790 L N -1.885 119.524 121.223 0.310 0.000 2.131 790 L HA -0.187 4.144 4.340 -0.015 0.000 0.210 790 L C 2.466 179.622 176.870 0.477 0.000 1.092 790 L CA 1.876 56.981 54.840 0.441 0.000 0.759 790 L CB -0.422 42.029 42.059 0.653 0.000 0.903 790 L HN 0.631 nan 8.230 nan 0.000 0.435 791 Y N 0.855 121.230 120.300 0.124 0.000 2.293 791 Y HA -0.255 4.287 4.550 -0.014 0.000 0.291 791 Y C 2.438 178.231 175.900 -0.179 0.000 1.137 791 Y CA 1.568 59.425 58.100 -0.406 0.000 1.202 791 Y CB -0.050 37.980 38.460 -0.716 0.000 0.990 791 Y HN 0.031 nan 8.280 nan 0.000 0.537 792 K N 0.071 120.479 120.400 0.015 0.000 2.442 792 K HA -0.138 4.173 4.320 -0.015 0.000 0.198 792 K C 0.340 176.912 176.600 -0.047 0.000 1.044 792 K CA 0.757 57.044 56.287 -0.001 0.000 0.948 792 K CB -0.126 32.425 32.500 0.085 0.000 0.762 792 K HN 0.063 nan 8.250 nan 0.000 0.472 793 N N 0.216 118.905 118.700 -0.018 0.000 3.012 793 N HA 0.136 4.867 4.740 -0.015 0.000 0.270 793 N C -2.441 173.071 175.510 0.003 0.000 1.469 793 N CA -2.198 50.857 53.050 0.008 0.000 0.928 793 N CB 0.987 39.517 38.487 0.071 0.000 1.219 793 N HN -0.190 nan 8.380 nan 0.000 0.492 794 P HA -0.252 nan 4.420 nan 0.000 0.219 794 P C 1.406 178.723 177.300 0.028 0.000 1.161 794 P CA 1.446 64.477 63.100 -0.116 0.000 0.909 794 P CB 0.307 31.914 31.700 -0.155 0.000 0.793 795 R N -0.463 120.050 120.500 0.022 0.000 2.105 795 R HA -0.169 4.162 4.340 -0.015 0.000 0.239 795 R C 2.003 178.348 176.300 0.076 0.000 1.135 795 R CA 1.414 57.540 56.100 0.043 0.000 0.967 795 R CB -0.276 30.040 30.300 0.026 0.000 0.861 795 R HN 0.143 nan 8.270 nan 0.000 0.442 796 E N -0.317 119.941 120.200 0.096 0.000 2.112 796 E HA -0.194 4.147 4.350 -0.015 0.000 0.190 796 E C 1.562 178.250 176.600 0.147 0.000 0.979 796 E CA 0.520 56.981 56.400 0.102 0.000 0.814 796 E CB -0.433 29.325 29.700 0.097 0.000 0.762 796 E HN 0.484 nan 8.360 nan 0.000 0.460 797 W N 2.237 123.539 121.300 0.004 0.000 2.333 797 W HA -0.206 4.444 4.660 -0.016 0.000 0.316 797 W C 1.609 178.141 176.519 0.023 0.000 1.215 797 W CA 2.224 59.587 57.345 0.031 0.000 1.278 797 W CB -0.372 29.080 29.460 -0.013 0.000 1.154 797 W HN 0.044 nan 8.180 nan 0.000 0.486 798 T N 1.040 115.739 114.554 0.242 0.000 2.833 798 T HA -0.176 4.165 4.350 -0.015 0.000 0.269 798 T C 1.822 176.543 174.700 0.034 0.000 1.054 798 T CA 1.583 63.755 62.100 0.120 0.000 1.135 798 T CB -0.310 68.612 68.868 0.091 0.000 0.869 798 T HN 0.195 nan 8.240 nan 0.000 0.466 799 R N 0.284 120.808 120.500 0.040 0.000 2.090 799 R HA 0.162 4.493 4.340 -0.015 0.000 0.228 799 R C 2.491 178.786 176.300 -0.009 0.000 1.110 799 R CA 0.992 57.112 56.100 0.033 0.000 0.973 799 R CB -0.300 30.024 30.300 0.040 0.000 0.869 799 R HN 0.363 nan 8.270 nan 0.000 0.440 800 M N 0.497 120.055 119.600 -0.069 0.000 2.175 800 M HA -0.126 4.345 4.480 -0.015 0.000 0.264 800 M C 1.911 178.126 176.300 -0.143 0.000 1.063 800 M CA 1.307 56.528 55.300 -0.132 0.000 1.119 800 M CB 0.209 32.666 32.600 -0.237 0.000 1.377 800 M HN -0.034 nan 8.290 nan 0.000 0.415 801 V N 0.859 120.672 119.914 -0.168 0.000 2.287 801 V HA -0.311 3.800 4.120 -0.015 0.000 0.248 801 V C 2.187 178.266 176.094 -0.024 0.000 1.053 801 V CA 2.001 64.231 62.300 -0.118 0.000 1.027 801 V CB -0.624 31.154 31.823 -0.074 0.000 0.646 801 V HN 0.503 nan 8.190 nan 0.000 0.447 802 I N -0.594 119.985 120.570 0.015 0.000 2.335 802 I HA -0.264 3.897 4.170 -0.015 0.000 0.251 802 I C 2.653 178.816 176.117 0.077 0.000 1.129 802 I CA 1.400 62.753 61.300 0.088 0.000 1.402 802 I CB -0.280 37.819 38.000 0.165 0.000 1.069 802 I HN 0.175 nan 8.210 nan 0.000 0.424 803 R N 0.720 121.242 120.500 0.037 0.000 2.115 803 R HA -0.058 4.273 4.340 -0.015 0.000 0.226 803 R C 2.035 178.366 176.300 0.052 0.000 1.100 803 R CA 1.123 57.245 56.100 0.036 0.000 0.980 803 R CB -0.201 30.104 30.300 0.009 0.000 0.875 803 R HN 0.424 nan 8.270 nan 0.000 0.445 804 N N -0.142 118.582 118.700 0.040 0.000 2.132 804 N HA -0.083 4.648 4.740 -0.015 0.000 0.187 804 N C 1.820 177.388 175.510 0.097 0.000 1.038 804 N CA 1.462 54.559 53.050 0.077 0.000 0.846 804 N CB -0.061 38.441 38.487 0.025 0.000 1.012 804 N HN 0.121 nan 8.380 nan 0.000 0.429 805 I N 1.841 122.456 120.570 0.074 0.000 2.113 805 I HA -0.290 3.871 4.170 -0.015 0.000 0.242 805 I C 2.400 178.566 176.117 0.083 0.000 1.064 805 I CA 1.272 62.622 61.300 0.082 0.000 1.320 805 I CB -0.392 37.649 38.000 0.070 0.000 1.028 805 I HN 0.112 nan 8.210 nan 0.000 0.406 806 A N -1.164 121.703 122.820 0.079 0.000 2.125 806 A HA -0.178 4.133 4.320 -0.015 0.000 0.219 806 A C 2.190 179.810 177.584 0.059 0.000 1.156 806 A CA 2.091 54.165 52.037 0.061 0.000 0.671 806 A CB -0.564 18.477 19.000 0.067 0.000 0.794 806 A HN 0.414 nan 8.150 nan 0.000 0.459 807 T N -0.994 113.611 114.554 0.084 0.000 3.129 807 T HA 0.141 4.482 4.350 -0.015 0.000 0.267 807 T C 1.432 176.217 174.700 0.142 0.000 1.018 807 T CA 0.698 62.852 62.100 0.089 0.000 0.903 807 T CB -0.417 68.504 68.868 0.088 0.000 1.067 807 T HN 0.598 nan 8.240 nan 0.000 0.549 808 S N -0.938 114.867 115.700 0.176 0.000 2.558 808 S HA 0.196 4.657 4.470 -0.015 0.000 0.217 808 S C 2.297 177.024 174.600 0.212 0.000 0.975 808 S CA 0.510 58.894 58.200 0.308 0.000 0.912 808 S CB -0.292 63.073 63.200 0.276 0.000 0.776 808 S HN 0.431 nan 8.310 nan 0.000 0.526 809 G N 3.028 111.879 108.800 0.086 0.000 2.547 809 G HA2 -0.355 3.596 3.960 -0.015 0.000 0.221 809 G HA3 -0.355 3.596 3.960 -0.015 0.000 0.221 809 G C 1.333 176.195 174.900 -0.063 0.000 1.140 809 G CA 1.215 46.335 45.100 0.033 0.000 0.760 809 G HN 0.576 nan 8.290 nan 0.000 0.583 810 K N 0.016 120.268 120.400 -0.247 0.000 2.281 810 K HA -0.056 4.255 4.320 -0.015 0.000 0.203 810 K C 1.213 177.511 176.600 -0.503 0.000 1.046 810 K CA 0.697 56.713 56.287 -0.452 0.000 0.938 810 K CB -0.291 31.785 32.500 -0.708 0.000 0.737 810 K HN 0.449 nan 8.250 nan 0.000 0.458 811 F N 0.982 120.963 119.950 0.052 0.000 2.663 811 F HA 0.095 4.612 4.527 -0.016 0.000 0.299 811 F C 0.872 176.719 175.800 0.078 0.000 1.143 811 F CA -0.603 57.435 58.000 0.062 0.000 1.387 811 F CB 0.415 39.449 39.000 0.058 0.000 1.019 811 F HN -0.117 nan 8.300 nan 0.000 0.523 812 S N 0.073 115.871 115.700 0.164 0.000 2.562 812 S HA 0.112 4.573 4.470 -0.015 0.000 0.275 812 S C 1.388 176.076 174.600 0.146 0.000 1.281 812 S CA -0.279 58.009 58.200 0.147 0.000 1.045 812 S CB 1.073 64.327 63.200 0.090 0.000 0.962 812 S HN 0.305 nan 8.310 nan 0.000 0.503 813 S N 3.083 118.891 115.700 0.179 0.000 2.474 813 S HA -0.082 4.379 4.470 -0.015 0.000 0.235 813 S C 0.986 175.637 174.600 0.086 0.000 0.997 813 S CA 0.732 59.053 58.200 0.202 0.000 0.949 813 S CB -0.406 62.978 63.200 0.307 0.000 0.766 813 S HN 0.794 nan 8.310 nan 0.000 0.517 814 D N 1.848 122.286 120.400 0.063 0.000 2.117 814 D HA -0.084 4.547 4.640 -0.015 0.000 0.197 814 D C 2.114 178.420 176.300 0.010 0.000 0.987 814 D CA 0.804 54.819 54.000 0.026 0.000 0.829 814 D CB -0.305 40.509 40.800 0.023 0.000 0.961 814 D HN 0.290 nan 8.370 nan 0.000 0.460 815 R N 0.686 121.195 120.500 0.016 0.000 2.066 815 R HA -0.084 4.248 4.340 -0.015 0.000 0.232 815 R C 1.933 178.228 176.300 -0.009 0.000 1.131 815 R CA 1.364 57.460 56.100 -0.007 0.000 0.955 815 R CB -0.697 29.589 30.300 -0.023 0.000 0.851 815 R HN 0.127 nan 8.270 nan 0.000 0.432 816 T N 2.114 116.685 114.554 0.029 0.000 2.684 816 T HA -0.116 4.225 4.350 -0.015 0.000 0.267 816 T C 1.910 176.621 174.700 0.018 0.000 1.036 816 T CA 1.310 63.445 62.100 0.059 0.000 1.148 816 T CB -0.119 68.857 68.868 0.179 0.000 0.863 816 T HN 0.096 nan 8.240 nan 0.000 0.436 817 I N 1.753 122.255 120.570 -0.112 0.000 2.315 817 I HA -0.070 4.091 4.170 -0.015 0.000 0.248 817 I C 2.895 178.980 176.117 -0.054 0.000 1.117 817 I CA 0.776 61.977 61.300 -0.164 0.000 1.404 817 I CB -1.686 36.217 38.000 -0.163 0.000 1.071 817 I HN 0.189 nan 8.210 nan 0.000 0.419 818 A N 0.038 122.838 122.820 -0.032 0.000 1.940 818 A HA -0.241 4.070 4.320 -0.015 0.000 0.219 818 A C 2.272 179.820 177.584 -0.059 0.000 1.176 818 A CA 1.486 53.510 52.037 -0.021 0.000 0.631 818 A CB -0.561 18.429 19.000 -0.017 0.000 0.814 818 A HN 0.499 nan 8.150 nan 0.000 0.446 819 Q N -2.026 117.718 119.800 -0.093 0.000 2.083 819 Q HA -0.142 4.189 4.340 -0.015 0.000 0.198 819 Q C 1.908 177.742 176.000 -0.276 0.000 0.969 819 Q CA 1.499 57.204 55.803 -0.164 0.000 0.838 819 Q CB -0.240 28.386 28.738 -0.187 0.000 0.900 819 Q HN 0.827 nan 8.270 nan 0.000 0.436 820 Y N 0.433 120.455 120.300 -0.463 0.000 2.145 820 Y HA -0.277 4.264 4.550 -0.015 0.000 0.286 820 Y C 2.441 177.808 175.900 -0.888 0.000 1.145 820 Y CA 1.260 58.843 58.100 -0.861 0.000 1.148 820 Y CB -0.466 37.178 38.460 -1.359 0.000 0.981 820 Y HN 0.154 nan 8.280 nan 0.000 0.507 821 A N 0.477 123.096 122.820 -0.335 0.000 1.873 821 A HA -0.275 4.036 4.320 -0.015 0.000 0.218 821 A C 2.262 179.866 177.584 0.033 0.000 1.193 821 A CA 2.380 54.455 52.037 0.064 0.000 0.629 821 A CB -0.640 18.452 19.000 0.155 0.000 0.826 821 A HN 0.450 nan 8.150 nan 0.000 0.447 822 R N -0.742 119.738 120.500 -0.034 0.000 2.062 822 R HA -0.031 4.300 4.340 -0.015 0.000 0.226 822 R C 1.903 178.180 176.300 -0.038 0.000 1.125 822 R CA 1.423 57.513 56.100 -0.018 0.000 0.966 822 R CB -0.313 29.971 30.300 -0.026 0.000 0.861 822 R HN 0.652 nan 8.270 nan 0.000 0.433 823 E N -0.138 119.999 120.200 -0.104 0.000 2.481 823 E HA 0.047 4.388 4.350 -0.015 0.000 0.195 823 E C 1.345 177.888 176.600 -0.095 0.000 1.047 823 E CA 0.558 56.897 56.400 -0.101 0.000 0.867 823 E CB 0.417 30.029 29.700 -0.146 0.000 0.858 823 E HN 0.384 nan 8.360 nan 0.000 0.513 824 I N -1.835 118.653 120.570 -0.136 0.000 4.193 824 I HA 0.020 4.181 4.170 -0.015 0.000 0.287 824 I C 1.208 177.436 176.117 0.184 0.000 1.175 824 I CA -0.114 61.154 61.300 -0.054 0.000 1.320 824 I CB 0.144 37.968 38.000 -0.294 0.000 1.523 824 I HN 0.110 nan 8.210 nan 0.000 0.450 825 W N 1.895 123.288 121.300 0.155 0.000 2.576 825 W HA 0.306 4.957 4.660 -0.015 0.000 0.270 825 W C 1.564 178.125 176.519 0.070 0.000 1.255 825 W CA 1.009 58.428 57.345 0.123 0.000 1.314 825 W CB -0.940 28.577 29.460 0.096 0.000 1.101 825 W HN 0.340 nan 8.180 nan 0.000 0.595 826 G N 0.994 109.929 108.800 0.225 0.000 2.212 826 G HA2 -0.108 3.843 3.960 -0.015 0.000 0.255 826 G HA3 -0.108 3.843 3.960 -0.015 0.000 0.255 826 G C -0.303 174.673 174.900 0.127 0.000 1.062 826 G CA 0.208 45.388 45.100 0.134 0.000 0.815 826 G HN 0.412 nan 8.290 nan 0.000 0.497 827 V N -4.340 115.667 119.914 0.154 0.000 2.962 827 V HA 0.932 5.043 4.120 -0.015 0.000 0.313 827 V C -0.421 175.731 176.094 0.097 0.000 1.099 827 V CA -1.644 60.728 62.300 0.119 0.000 0.971 827 V CB 2.376 34.279 31.823 0.134 0.000 1.028 827 V HN 0.115 nan 8.190 nan 0.000 0.430 828 E N 3.575 123.816 120.200 0.069 0.000 2.133 828 E HA 0.527 4.868 4.350 -0.015 0.000 0.274 828 E C -2.520 174.113 176.600 0.055 0.000 0.930 828 E CA -1.788 54.644 56.400 0.054 0.000 0.770 828 E CB 1.847 31.572 29.700 0.041 0.000 1.104 828 E HN 0.761 nan 8.360 nan 0.000 0.403 829 P HA 0.066 nan 4.420 nan 0.000 0.270 829 P C -0.494 176.831 177.300 0.041 0.000 1.223 829 P CA -0.247 62.883 63.100 0.050 0.000 0.785 829 P CB 0.793 32.519 31.700 0.043 0.000 0.923 830 S N 0.797 116.522 115.700 0.042 0.000 2.566 830 S HA 0.333 4.794 4.470 -0.015 0.000 0.273 830 S C -0.006 174.614 174.600 0.035 0.000 1.157 830 S CA -0.888 57.335 58.200 0.038 0.000 0.938 830 S CB 1.188 64.415 63.200 0.045 0.000 1.087 830 S HN 0.301 nan 8.310 nan 0.000 0.474 831 R N 2.651 123.169 120.500 0.030 0.000 2.978 831 R HA 0.209 4.540 4.340 -0.015 0.000 0.298 831 R C -0.200 176.111 176.300 0.018 0.000 1.296 831 R CA -0.087 56.030 56.100 0.028 0.000 1.181 831 R CB 0.148 30.467 30.300 0.030 0.000 1.348 831 R HN 0.660 nan 8.270 nan 0.000 0.585 832 Q N 1.006 120.815 119.800 0.016 0.000 2.279 832 Q HA 0.190 4.521 4.340 -0.015 0.000 0.256 832 Q C -0.382 175.609 176.000 -0.014 0.000 0.937 832 Q CA -0.401 55.404 55.803 0.004 0.000 0.933 832 Q CB 1.307 30.051 28.738 0.011 0.000 1.189 832 Q HN -0.106 nan 8.270 nan 0.000 0.417 833 R N 1.770 122.256 120.500 -0.024 0.000 2.484 833 R HA 0.037 4.368 4.340 -0.015 0.000 0.293 833 R C -0.534 175.730 176.300 -0.060 0.000 1.023 833 R CA -0.142 55.932 56.100 -0.043 0.000 1.037 833 R CB 0.103 30.377 30.300 -0.043 0.000 0.951 833 R HN 0.414 nan 8.270 nan 0.000 0.418 834 L N 6.708 127.879 121.223 -0.086 0.000 2.426 834 L HA 0.202 4.533 4.340 -0.015 0.000 0.271 834 L C -1.667 175.144 176.870 -0.097 0.000 1.169 834 L CA -1.863 52.896 54.840 -0.135 0.000 0.836 834 L CB 0.516 42.470 42.059 -0.175 0.000 1.112 834 L HN 0.612 nan 8.230 nan 0.000 0.465 835 P HA 0.002 nan 4.420 nan 0.000 0.208 835 P C 0.040 177.317 177.300 -0.039 0.000 1.341 835 P CA 0.724 63.793 63.100 -0.052 0.000 1.235 835 P CB -0.725 30.954 31.700 -0.036 0.000 1.764 836 A N 4.409 127.207 122.820 -0.037 0.000 6.759 836 A HA -0.176 4.135 4.320 -0.015 0.000 0.308 836 A C -1.338 176.235 177.584 -0.018 0.000 2.086 836 A CA 0.498 52.520 52.037 -0.025 0.000 1.123 836 A CB -1.857 17.134 19.000 -0.014 0.000 1.078 836 A HN 0.364 nan 8.150 nan 0.000 0.457 837 P HA 0.180 nan 4.420 nan 0.000 0.244 837 P C 0.101 177.411 177.300 0.016 0.000 1.191 837 P CA 0.560 63.668 63.100 0.012 0.000 0.829 837 P CB -0.361 31.358 31.700 0.032 0.000 1.008 838 D N 1.795 122.203 120.400 0.013 0.000 6.363 838 D HA -0.192 4.439 4.640 -0.015 0.000 0.146 838 D C 1.463 177.770 176.300 0.011 0.000 1.113 838 D CA 0.774 54.781 54.000 0.012 0.000 0.737 838 D CB 0.195 40.999 40.800 0.007 0.000 1.417 838 D HN 0.094 nan 8.370 nan 0.000 0.812 839 E N 2.945 123.151 120.200 0.011 0.000 2.840 839 E HA -0.442 3.899 4.350 -0.015 0.000 0.222 839 E C 0.175 176.778 176.600 0.005 0.000 0.868 839 E CA 2.751 59.155 56.400 0.006 0.000 1.266 839 E CB -0.237 29.465 29.700 0.003 0.000 1.318 839 E HN 0.888 nan 8.360 nan 0.000 0.486 840 K N -0.549 119.853 120.400 0.003 0.000 7.396 840 K HA -0.166 4.145 4.320 -0.015 0.000 0.647 840 K C -0.650 175.950 176.600 -0.000 0.000 2.584 840 K CA 1.236 57.524 56.287 0.003 0.000 1.938 840 K CB -0.657 31.847 32.500 0.007 0.000 1.962 840 K HN 0.326 nan 8.250 nan 0.000 0.295 841 I N 3.503 124.072 120.570 -0.002 0.000 2.700 841 I HA 0.302 4.463 4.170 -0.015 0.000 0.272 841 I C -1.975 174.139 176.117 -0.005 0.000 1.293 841 I CA -1.573 59.723 61.300 -0.006 0.000 0.989 841 I CB 0.389 38.383 38.000 -0.010 0.000 1.301 841 I HN 0.938 nan 8.210 nan 0.000 0.525 842 P HA 0.000 nan 4.420 nan 0.000 0.216 842 P CA 0.000 63.099 63.100 -0.001 0.000 0.800 842 P CB 0.000 31.703 31.700 0.005 0.000 0.726