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 1hlf_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 0.000 176.105 176.117 -0.020 0.000 1.063 13 I CA 0.000 61.279 61.300 -0.035 0.000 1.566 13 I CB 0.000 37.970 38.000 -0.050 0.000 1.214 14 S N -0.400 115.293 115.700 -0.011 0.000 2.630 14 S HA 0.141 4.604 4.470 -0.012 0.000 0.274 14 S C -1.556 173.046 174.600 0.003 0.000 0.915 14 S CA 0.051 58.251 58.200 0.001 0.000 1.079 14 S CB 0.828 64.029 63.200 0.002 0.000 1.360 14 S HN 0.168 nan 8.310 nan 0.000 0.455 15 V N 4.269 124.191 119.914 0.014 0.000 2.836 15 V HA 0.391 4.504 4.120 -0.012 0.000 0.368 15 V C 0.899 176.999 176.094 0.010 0.000 1.452 15 V CA -0.013 62.295 62.300 0.013 0.000 1.586 15 V CB -0.884 30.954 31.823 0.026 0.000 1.436 15 V HN 0.589 nan 8.190 nan 0.000 0.541 16 R N 2.132 122.632 120.500 -0.001 0.000 2.449 16 R HA 0.417 4.750 4.340 -0.012 0.000 0.262 16 R C 0.910 177.199 176.300 -0.019 0.000 1.006 16 R CA 0.567 56.664 56.100 -0.006 0.000 1.104 16 R CB 0.087 30.380 30.300 -0.011 0.000 1.206 16 R HN 0.712 nan 8.270 nan 0.000 0.538 17 G N 0.675 109.463 108.800 -0.019 0.000 2.631 17 G HA2 -0.197 3.755 3.960 -0.012 0.000 0.504 17 G HA3 -0.197 3.755 3.960 -0.012 0.000 0.504 17 G C -1.162 173.721 174.900 -0.029 0.000 1.306 17 G CA -1.061 44.020 45.100 -0.032 0.000 0.897 17 G HN 0.022 nan 8.290 nan 0.000 0.520 18 L N 0.553 121.757 121.223 -0.032 0.000 2.357 18 L HA 0.732 5.065 4.340 -0.012 0.000 0.273 18 L C 1.273 178.126 176.870 -0.028 0.000 1.080 18 L CA 0.104 54.928 54.840 -0.026 0.000 0.803 18 L CB 1.226 43.271 42.059 -0.024 0.000 1.174 18 L HN 1.558 nan 8.230 nan 0.000 0.443 19 A N 2.441 125.248 122.820 -0.023 0.000 3.173 19 A HA 0.561 4.874 4.320 -0.012 0.000 0.304 19 A C 0.783 178.360 177.584 -0.012 0.000 1.318 19 A CA -0.295 51.730 52.037 -0.020 0.000 1.069 19 A CB -0.713 18.273 19.000 -0.023 0.000 1.147 19 A HN 0.782 nan 8.150 nan 0.000 0.547 20 G N -0.260 108.534 108.800 -0.011 0.000 2.474 20 G HA2 0.290 4.242 3.960 -0.012 0.000 0.233 20 G HA3 0.290 4.242 3.960 -0.012 0.000 0.233 20 G C 1.031 175.933 174.900 0.004 0.000 1.278 20 G CA 0.092 45.190 45.100 -0.003 0.000 0.861 20 G HN 0.426 nan 8.290 nan 0.000 0.567 21 V N 2.062 121.980 119.914 0.007 0.000 2.255 21 V HA -0.177 3.935 4.120 -0.012 0.000 0.247 21 V C 2.695 178.799 176.094 0.017 0.000 1.051 21 V CA 2.429 64.736 62.300 0.011 0.000 1.018 21 V CB -0.717 31.112 31.823 0.010 0.000 0.641 21 V HN 0.773 nan 8.190 nan 0.000 0.445 22 E N 0.255 120.466 120.200 0.018 0.000 2.110 22 E HA -0.177 4.165 4.350 -0.012 0.000 0.193 22 E C 2.051 178.672 176.600 0.035 0.000 0.988 22 E CA 1.468 57.883 56.400 0.025 0.000 0.804 22 E CB -0.286 29.428 29.700 0.023 0.000 0.745 22 E HN 0.644 nan 8.360 nan 0.000 0.458 23 N N -1.232 117.487 118.700 0.032 0.000 2.354 23 N HA -0.072 4.660 4.740 -0.012 0.000 0.179 23 N C 1.358 176.895 175.510 0.045 0.000 1.021 23 N CA 0.452 53.528 53.050 0.044 0.000 0.887 23 N CB 0.326 38.827 38.487 0.023 0.000 0.974 23 N HN -0.045 nan 8.380 nan 0.000 0.437 24 V N -0.089 119.843 119.914 0.030 0.000 2.548 24 V HA -0.156 3.956 4.120 -0.012 0.000 0.249 24 V C 1.901 178.019 176.094 0.040 0.000 1.055 24 V CA 1.589 63.906 62.300 0.030 0.000 1.065 24 V CB -0.561 31.274 31.823 0.020 0.000 0.681 24 V HN 0.389 nan 8.190 nan 0.000 0.462 25 T N -0.390 114.188 114.554 0.040 0.000 2.737 25 T HA -0.192 4.150 4.350 -0.012 0.000 0.265 25 T C 1.903 176.640 174.700 0.062 0.000 1.038 25 T CA 1.685 63.811 62.100 0.043 0.000 1.144 25 T CB -0.153 68.736 68.868 0.035 0.000 0.866 25 T HN 0.488 nan 8.240 nan 0.000 0.434 26 E N 0.847 121.090 120.200 0.071 0.000 2.077 26 E HA -0.105 4.238 4.350 -0.012 0.000 0.193 26 E C 1.929 178.607 176.600 0.130 0.000 0.989 26 E CA 0.823 57.278 56.400 0.092 0.000 0.800 26 E CB -0.512 29.248 29.700 0.100 0.000 0.746 26 E HN 0.161 nan 8.360 nan 0.000 0.452 27 L N 0.861 122.170 121.223 0.143 0.000 2.017 27 L HA -0.123 4.209 4.340 -0.012 0.000 0.208 27 L C 2.149 179.133 176.870 0.191 0.000 1.073 27 L CA 1.838 56.790 54.840 0.186 0.000 0.745 27 L CB -0.769 41.370 42.059 0.133 0.000 0.894 27 L HN 0.097 nan 8.230 nan 0.000 0.432 28 K N -0.237 120.238 120.400 0.124 0.000 2.063 28 K HA -0.209 4.104 4.320 -0.012 0.000 0.208 28 K C 1.968 178.681 176.600 0.188 0.000 1.048 28 K CA 1.814 58.172 56.287 0.117 0.000 0.928 28 K CB -0.079 32.448 32.500 0.045 0.000 0.713 28 K HN 0.424 nan 8.250 nan 0.000 0.442 29 K N 0.174 120.659 120.400 0.142 0.000 2.148 29 K HA -0.028 4.285 4.320 -0.012 0.000 0.204 29 K C 1.619 178.308 176.600 0.147 0.000 1.050 29 K CA 1.212 57.576 56.287 0.128 0.000 0.942 29 K CB -0.121 32.427 32.500 0.081 0.000 0.724 29 K HN 0.042 nan 8.250 nan 0.000 0.446 30 N N 0.530 119.329 118.700 0.166 0.000 2.331 30 N HA -0.094 4.638 4.740 -0.012 0.000 0.180 30 N C 1.553 177.221 175.510 0.264 0.000 1.019 30 N CA 0.864 54.005 53.050 0.152 0.000 0.881 30 N CB -0.140 38.450 38.487 0.170 0.000 0.972 30 N HN 0.194 nan 8.380 nan 0.000 0.435 31 F N 2.492 122.547 119.950 0.176 0.000 2.146 31 F HA -0.036 4.483 4.527 -0.012 0.000 0.298 31 F C 1.982 177.897 175.800 0.190 0.000 1.096 31 F CA 1.168 59.291 58.000 0.204 0.000 1.275 31 F CB -0.119 38.970 39.000 0.148 0.000 1.008 31 F HN -0.055 nan 8.300 nan 0.000 0.480 32 N N 0.407 119.312 118.700 0.341 0.000 2.216 32 N HA -0.134 4.599 4.740 -0.012 0.000 0.183 32 N C 2.084 177.670 175.510 0.126 0.000 1.017 32 N CA 0.664 53.842 53.050 0.214 0.000 0.861 32 N CB -0.449 38.160 38.487 0.204 0.000 0.986 32 N HN 0.314 nan 8.380 nan 0.000 0.428 33 R N 0.623 121.196 120.500 0.121 0.000 2.080 33 R HA -0.113 4.220 4.340 -0.012 0.000 0.236 33 R C 1.755 178.125 176.300 0.115 0.000 1.137 33 R CA 1.506 57.696 56.100 0.150 0.000 0.943 33 R CB -0.436 29.844 30.300 -0.034 0.000 0.846 33 R HN 0.453 nan 8.270 nan 0.000 0.431 34 H N -0.323 118.786 119.070 0.065 0.000 2.389 34 H HA -0.128 4.421 4.556 -0.012 0.000 0.299 34 H C 1.856 177.120 175.328 -0.107 0.000 1.081 34 H CA 1.336 57.359 56.048 -0.042 0.000 1.345 34 H CB 0.012 29.718 29.762 -0.094 0.000 1.393 34 H HN 0.078 nan 8.280 nan 0.000 0.520 35 L N -0.026 121.171 121.223 -0.043 0.000 2.083 35 L HA -0.186 4.147 4.340 -0.012 0.000 0.209 35 L C 2.173 179.021 176.870 -0.035 0.000 1.083 35 L CA 1.848 56.631 54.840 -0.095 0.000 0.752 35 L CB -0.439 41.557 42.059 -0.104 0.000 0.899 35 L HN 0.291 nan 8.230 nan 0.000 0.433 36 H N -1.648 117.345 119.070 -0.128 0.000 2.273 36 H HA -0.043 4.505 4.556 -0.012 0.000 0.311 36 H C 1.834 176.968 175.328 -0.324 0.000 1.057 36 H CA 2.228 58.112 56.048 -0.274 0.000 1.360 36 H CB -0.369 29.134 29.762 -0.431 0.000 1.414 36 H HN 0.269 nan 8.280 nan 0.000 0.516 37 F N -0.235 119.686 119.950 -0.050 0.000 2.206 37 F HA -0.060 4.459 4.527 -0.013 0.000 0.298 37 F C 2.581 178.296 175.800 -0.143 0.000 1.090 37 F CA 1.518 59.441 58.000 -0.128 0.000 1.323 37 F CB -0.413 38.547 39.000 -0.066 0.000 1.028 37 F HN 0.202 nan 8.300 nan 0.000 0.492 38 T N -0.545 114.035 114.554 0.043 0.000 2.939 38 T HA 0.030 4.372 4.350 -0.012 0.000 0.254 38 T C 1.662 176.270 174.700 -0.154 0.000 1.041 38 T CA 0.648 62.703 62.100 -0.076 0.000 1.142 38 T CB -0.132 68.664 68.868 -0.120 0.000 0.874 38 T HN -0.050 nan 8.240 nan 0.000 0.452 39 L N 1.042 122.179 121.223 -0.143 0.000 2.529 39 L HA 0.295 4.627 4.340 -0.012 0.000 0.223 39 L C 0.648 177.423 176.870 -0.158 0.000 1.113 39 L CA 0.250 54.995 54.840 -0.159 0.000 0.861 39 L CB -0.654 41.324 42.059 -0.135 0.000 1.012 39 L HN 0.038 nan 8.230 nan 0.000 0.461 40 V N 0.276 120.077 119.914 -0.188 0.000 5.949 40 V HA -0.299 3.813 4.120 -0.012 0.000 0.287 40 V C 0.488 176.469 176.094 -0.187 0.000 0.603 40 V CA 0.857 63.012 62.300 -0.241 0.000 0.608 40 V CB -2.085 29.622 31.823 -0.193 0.000 0.259 40 V HN 0.395 nan 8.190 nan 0.000 0.742 41 K N 1.438 121.741 120.400 -0.161 0.000 2.480 41 K HA 0.674 4.986 4.320 -0.012 0.000 0.258 41 K C -0.615 175.961 176.600 -0.040 0.000 0.990 41 K CA -0.583 55.644 56.287 -0.100 0.000 0.857 41 K CB 2.896 35.333 32.500 -0.105 0.000 1.384 41 K HN 0.624 nan 8.250 nan 0.000 0.446 42 D N 0.338 120.733 120.400 -0.009 0.000 2.575 42 D HA 0.271 4.903 4.640 -0.012 0.000 0.236 42 D C 0.526 176.860 176.300 0.056 0.000 1.075 42 D CA -0.594 53.433 54.000 0.044 0.000 0.860 42 D CB 1.543 42.367 40.800 0.040 0.000 1.475 42 D HN 0.171 nan 8.370 nan 0.000 0.474 43 R N 1.043 121.608 120.500 0.108 0.000 2.228 43 R HA -0.152 4.181 4.340 -0.012 0.000 0.259 43 R C 1.059 177.438 176.300 0.132 0.000 1.183 43 R CA 0.968 57.170 56.100 0.171 0.000 1.002 43 R CB -0.725 29.673 30.300 0.163 0.000 0.879 43 R HN 0.587 nan 8.270 nan 0.000 0.467 44 N N 0.374 119.119 118.700 0.074 0.000 2.463 44 N HA -0.049 4.684 4.740 -0.012 0.000 0.181 44 N C 1.219 176.751 175.510 0.036 0.000 1.078 44 N CA 1.135 54.218 53.050 0.055 0.000 0.902 44 N CB 0.566 39.075 38.487 0.036 0.000 0.970 44 N HN 0.191 nan 8.380 nan 0.000 0.451 45 V N -3.280 116.644 119.914 0.016 0.000 3.382 45 V HA 0.468 4.581 4.120 -0.012 0.000 0.296 45 V C 0.631 176.694 176.094 -0.052 0.000 1.529 45 V CA -0.648 61.646 62.300 -0.009 0.000 1.048 45 V CB -0.121 31.692 31.823 -0.017 0.000 0.878 45 V HN 0.009 nan 8.190 nan 0.000 0.442 46 A N 2.104 124.869 122.820 -0.092 0.000 2.440 46 A HA 0.631 4.944 4.320 -0.012 0.000 0.251 46 A C 0.693 178.083 177.584 -0.322 0.000 1.089 46 A CA 0.807 52.663 52.037 -0.300 0.000 0.779 46 A CB 0.035 18.721 19.000 -0.524 0.000 1.022 46 A HN 0.780 nan 8.150 nan 0.000 0.492 47 T N 0.087 114.460 114.554 -0.302 0.000 2.948 47 T HA 0.593 4.936 4.350 -0.012 0.000 0.285 47 T C -2.161 172.472 174.700 -0.112 0.000 1.019 47 T CA -1.848 60.181 62.100 -0.119 0.000 1.013 47 T CB 1.338 70.191 68.868 -0.024 0.000 1.117 47 T HN 0.234 nan 8.240 nan 0.000 0.533 48 P HA -0.118 nan 4.420 nan 0.000 0.217 48 P C 1.551 178.974 177.300 0.205 0.000 1.148 48 P CA 1.012 64.264 63.100 0.254 0.000 0.834 48 P CB 0.052 31.860 31.700 0.181 0.000 0.783 49 R N -0.113 120.460 120.500 0.121 0.000 2.092 49 R HA -0.127 4.206 4.340 -0.012 0.000 0.231 49 R C 1.683 178.164 176.300 0.303 0.000 1.119 49 R CA 1.668 57.879 56.100 0.185 0.000 0.970 49 R CB -0.608 29.759 30.300 0.112 0.000 0.864 49 R HN 0.096 nan 8.270 nan 0.000 0.440 50 D N -0.370 120.094 120.400 0.106 0.000 2.117 50 D HA -0.177 4.455 4.640 -0.012 0.000 0.198 50 D C 1.690 178.020 176.300 0.050 0.000 0.982 50 D CA 1.253 55.272 54.000 0.031 0.000 0.828 50 D CB -0.278 40.389 40.800 -0.221 0.000 0.967 50 D HN 0.285 nan 8.370 nan 0.000 0.464 51 Y N 0.196 120.610 120.300 0.190 0.000 2.224 51 Y HA -0.215 4.328 4.550 -0.012 0.000 0.289 51 Y C 2.327 178.372 175.900 0.242 0.000 1.146 51 Y CA 0.355 58.613 58.100 0.264 0.000 1.182 51 Y CB -1.120 37.549 38.460 0.349 0.000 0.983 51 Y HN 0.102 nan 8.280 nan 0.000 0.524 52 Y N -0.649 119.797 120.300 0.244 0.000 2.181 52 Y HA -0.251 4.291 4.550 -0.013 0.000 0.288 52 Y C 1.909 177.773 175.900 -0.060 0.000 1.146 52 Y CA 1.118 59.252 58.100 0.056 0.000 1.164 52 Y CB -1.104 37.280 38.460 -0.126 0.000 0.982 52 Y HN 0.058 nan 8.280 nan 0.000 0.515 53 F N 0.139 119.829 119.950 -0.432 0.000 2.146 53 F HA -0.083 4.437 4.527 -0.012 0.000 0.298 53 F C 2.657 178.283 175.800 -0.290 0.000 1.096 53 F CA 1.225 58.925 58.000 -0.501 0.000 1.275 53 F CB -0.753 38.143 39.000 -0.174 0.000 1.008 53 F HN 0.177 nan 8.300 nan 0.000 0.480 54 A N -0.092 122.689 122.820 -0.066 0.000 1.908 54 A HA -0.209 4.104 4.320 -0.012 0.000 0.218 54 A C 2.050 179.551 177.584 -0.138 0.000 1.181 54 A CA 1.707 53.595 52.037 -0.248 0.000 0.627 54 A CB -1.042 17.460 19.000 -0.830 0.000 0.818 54 A HN 0.358 nan 8.150 nan 0.000 0.445 55 L N -0.303 120.951 121.223 0.052 0.000 2.027 55 L HA -0.009 4.324 4.340 -0.012 0.000 0.206 55 L C 2.692 179.557 176.870 -0.009 0.000 1.074 55 L CA 2.192 57.168 54.840 0.227 0.000 0.745 55 L CB -0.935 41.316 42.059 0.320 0.000 0.898 55 L HN 0.341 nan 8.230 nan 0.000 0.433 56 A N -1.261 121.373 122.820 -0.311 0.000 1.908 56 A HA -0.296 4.017 4.320 -0.012 0.000 0.218 56 A C 2.153 179.386 177.584 -0.586 0.000 1.181 56 A CA 2.109 53.842 52.037 -0.507 0.000 0.627 56 A CB -1.107 17.265 19.000 -1.047 0.000 0.818 56 A HN 0.691 nan 8.150 nan 0.000 0.445 57 H N -0.923 117.846 119.070 -0.502 0.000 2.389 57 H HA -0.049 4.500 4.556 -0.012 0.000 0.299 57 H C 2.356 177.401 175.328 -0.473 0.000 1.081 57 H CA 1.958 57.634 56.048 -0.621 0.000 1.345 57 H CB -0.093 29.079 29.762 -0.984 0.000 1.393 57 H HN 0.474 nan 8.280 nan 0.000 0.520 58 T N -0.306 114.173 114.554 -0.125 0.000 2.746 58 T HA -0.133 4.210 4.350 -0.012 0.000 0.267 58 T C 2.240 177.098 174.700 0.262 0.000 1.039 58 T CA 1.288 63.505 62.100 0.196 0.000 1.142 58 T CB -0.373 68.696 68.868 0.335 0.000 0.866 58 T HN 0.091 nan 8.240 nan 0.000 0.444 59 V N 1.626 121.676 119.914 0.227 0.000 2.358 59 V HA -0.123 3.989 4.120 -0.012 0.000 0.246 59 V C 2.640 178.925 176.094 0.317 0.000 1.047 59 V CA 1.585 64.073 62.300 0.314 0.000 1.035 59 V CB -0.626 31.378 31.823 0.302 0.000 0.658 59 V HN 0.383 nan 8.190 nan 0.000 0.452 60 R N 0.144 120.777 120.500 0.222 0.000 2.127 60 R HA -0.219 4.113 4.340 -0.012 0.000 0.238 60 R C 1.938 178.342 176.300 0.173 0.000 1.134 60 R CA 2.014 58.248 56.100 0.224 0.000 0.975 60 R CB -0.428 29.853 30.300 -0.033 0.000 0.865 60 R HN 0.465 nan 8.270 nan 0.000 0.447 61 D N 0.028 120.504 120.400 0.126 0.000 2.123 61 D HA -0.174 4.459 4.640 -0.012 0.000 0.196 61 D C 1.755 178.059 176.300 0.007 0.000 0.992 61 D CA 1.161 55.200 54.000 0.065 0.000 0.833 61 D CB -0.403 40.413 40.800 0.027 0.000 0.954 61 D HN 0.443 nan 8.370 nan 0.000 0.455 62 H N -0.152 118.986 119.070 0.114 0.000 2.489 62 H HA -0.034 4.514 4.556 -0.012 0.000 0.293 62 H C 2.021 177.394 175.328 0.074 0.000 1.066 62 H CA 0.733 56.831 56.048 0.084 0.000 1.305 62 H CB 0.227 30.030 29.762 0.068 0.000 1.386 62 H HN 0.285 nan 8.280 nan 0.000 0.551 63 L N -1.108 120.225 121.223 0.182 0.000 2.693 63 L HA 0.154 4.487 4.340 -0.012 0.000 0.235 63 L C 2.013 178.995 176.870 0.188 0.000 1.127 63 L CA 0.049 54.967 54.840 0.130 0.000 0.914 63 L CB -0.076 42.013 42.059 0.050 0.000 1.193 63 L HN -0.101 nan 8.230 nan 0.000 0.502 64 V N -2.109 117.936 119.914 0.218 0.000 2.453 64 V HA 0.076 4.189 4.120 -0.012 0.000 0.247 64 V C 2.486 178.703 176.094 0.204 0.000 1.048 64 V CA 1.545 64.023 62.300 0.296 0.000 1.049 64 V CB -1.665 30.293 31.823 0.224 0.000 0.672 64 V HN 0.358 nan 8.190 nan 0.000 0.457 65 G N 0.149 109.025 108.800 0.126 0.000 2.418 65 G HA2 -0.216 3.736 3.960 -0.012 0.000 0.217 65 G HA3 -0.216 3.736 3.960 -0.012 0.000 0.217 65 G C 1.810 176.761 174.900 0.085 0.000 1.158 65 G CA 0.929 46.076 45.100 0.079 0.000 0.771 65 G HN 0.492 nan 8.290 nan 0.000 0.545 66 R N -1.464 119.097 120.500 0.101 0.000 2.090 66 R HA -0.044 4.289 4.340 -0.012 0.000 0.228 66 R C 2.249 178.631 176.300 0.138 0.000 1.110 66 R CA 0.934 57.080 56.100 0.076 0.000 0.973 66 R CB -0.338 29.990 30.300 0.047 0.000 0.869 66 R HN 0.463 nan 8.270 nan 0.000 0.440 67 W N 1.508 122.789 121.300 -0.032 0.000 2.335 67 W HA -0.134 4.519 4.660 -0.012 0.000 0.311 67 W C 1.681 178.171 176.519 -0.048 0.000 1.213 67 W CA 1.109 58.430 57.345 -0.040 0.000 1.274 67 W CB -0.648 28.809 29.460 -0.006 0.000 1.148 67 W HN -0.010 nan 8.180 nan 0.000 0.498 68 I N 0.799 121.417 120.570 0.080 0.000 2.226 68 I HA -0.343 3.819 4.170 -0.012 0.000 0.245 68 I C 2.623 178.723 176.117 -0.029 0.000 1.100 68 I CA 1.826 63.094 61.300 -0.054 0.000 1.374 68 I CB -0.462 37.514 38.000 -0.039 0.000 1.057 68 I HN -0.041 nan 8.210 nan 0.000 0.413 69 R N -0.281 120.219 120.500 0.001 0.000 2.115 69 R HA -0.039 4.294 4.340 -0.012 0.000 0.226 69 R C 2.052 178.326 176.300 -0.043 0.000 1.100 69 R CA 1.536 57.632 56.100 -0.007 0.000 0.980 69 R CB -1.159 29.138 30.300 -0.005 0.000 0.875 69 R HN 0.241 nan 8.270 nan 0.000 0.445 70 T N 1.536 116.034 114.554 -0.092 0.000 2.701 70 T HA -0.105 4.238 4.350 -0.012 0.000 0.263 70 T C 1.862 176.302 174.700 -0.433 0.000 1.040 70 T CA 1.174 63.104 62.100 -0.284 0.000 1.147 70 T CB -0.094 68.633 68.868 -0.234 0.000 0.865 70 T HN 0.165 nan 8.240 nan 0.000 0.426 71 Q N 0.861 120.541 119.800 -0.200 0.000 2.084 71 Q HA -0.096 4.237 4.340 -0.012 0.000 0.202 71 Q C 2.388 178.396 176.000 0.014 0.000 0.978 71 Q CA 1.415 57.168 55.803 -0.084 0.000 0.844 71 Q CB -0.662 28.046 28.738 -0.050 0.000 0.898 71 Q HN 0.449 nan 8.270 nan 0.000 0.426 72 Q N 0.076 119.882 119.800 0.009 0.000 2.096 72 Q HA -0.194 4.139 4.340 -0.012 0.000 0.204 72 Q C 1.910 178.002 176.000 0.153 0.000 0.982 72 Q CA 2.077 57.933 55.803 0.089 0.000 0.850 72 Q CB -0.489 28.282 28.738 0.054 0.000 0.901 72 Q HN 0.579 nan 8.270 nan 0.000 0.422 73 H N -0.986 118.072 119.070 -0.020 0.000 2.289 73 H HA -0.195 4.354 4.556 -0.012 0.000 0.296 73 H C 1.267 176.677 175.328 0.138 0.000 1.091 73 H CA 2.392 58.442 56.048 0.002 0.000 1.274 73 H CB -0.369 29.328 29.762 -0.109 0.000 1.364 73 H HN 0.355 nan 8.280 nan 0.000 0.490 74 Y N -0.982 119.393 120.300 0.126 0.000 2.315 74 Y HA -0.209 4.333 4.550 -0.013 0.000 0.288 74 Y C 2.413 178.357 175.900 0.073 0.000 1.154 74 Y CA 1.040 59.185 58.100 0.076 0.000 1.229 74 Y CB -1.279 37.276 38.460 0.158 0.000 0.980 74 Y HN 0.401 nan 8.280 nan 0.000 0.540 75 Y N 1.132 121.523 120.300 0.150 0.000 2.220 75 Y HA -0.140 4.402 4.550 -0.013 0.000 0.291 75 Y C 2.068 177.985 175.900 0.028 0.000 1.129 75 Y CA 1.549 59.701 58.100 0.086 0.000 1.161 75 Y CB -0.070 38.426 38.460 0.061 0.000 0.997 75 Y HN 0.047 nan 8.280 nan 0.000 0.522 76 E N 0.169 120.315 120.200 -0.089 0.000 2.028 76 E HA -0.142 4.201 4.350 -0.012 0.000 0.190 76 E C 1.960 178.439 176.600 -0.203 0.000 0.984 76 E CA 1.072 57.358 56.400 -0.190 0.000 0.800 76 E CB -0.155 29.497 29.700 -0.081 0.000 0.758 76 E HN 0.351 nan 8.360 nan 0.000 0.448 77 K N 0.829 121.104 120.400 -0.209 0.000 2.155 77 K HA -0.085 4.228 4.320 -0.012 0.000 0.203 77 K C 0.227 176.770 176.600 -0.095 0.000 1.052 77 K CA 0.602 56.788 56.287 -0.168 0.000 0.948 77 K CB -0.476 31.881 32.500 -0.239 0.000 0.728 77 K HN 0.099 nan 8.250 nan 0.000 0.448 78 D N 0.534 120.895 120.400 -0.064 0.000 2.828 78 D HA -0.101 4.532 4.640 -0.012 0.000 0.241 78 D C -2.395 173.908 176.300 0.005 0.000 1.142 78 D CA 0.097 54.086 54.000 -0.017 0.000 0.755 78 D CB -0.237 40.534 40.800 -0.048 0.000 1.014 78 D HN 0.165 nan 8.370 nan 0.000 0.420 79 P HA 0.187 nan 4.420 nan 0.000 0.281 79 P C -0.294 176.982 177.300 -0.040 0.000 1.281 79 P CA -0.754 62.330 63.100 -0.026 0.000 0.811 79 P CB 0.660 32.328 31.700 -0.054 0.000 1.154 80 K N 0.999 121.374 120.400 -0.042 0.000 2.451 80 K HA 0.065 4.378 4.320 -0.012 0.000 0.280 80 K C -0.154 176.362 176.600 -0.140 0.000 1.020 80 K CA -0.023 56.226 56.287 -0.062 0.000 1.008 80 K CB 0.217 32.694 32.500 -0.038 0.000 0.917 80 K HN 0.241 nan 8.250 nan 0.000 0.478 81 R N 3.678 124.071 120.500 -0.179 0.000 2.368 81 R HA 0.351 4.684 4.340 -0.012 0.000 0.302 81 R C -0.563 175.437 176.300 -0.500 0.000 1.002 81 R CA -0.463 55.445 56.100 -0.321 0.000 0.929 81 R CB 0.867 30.968 30.300 -0.331 0.000 1.073 81 R HN 0.510 nan 8.270 nan 0.000 0.464 82 I N 4.561 124.801 120.570 -0.550 0.000 2.339 82 I HA 0.221 4.383 4.170 -0.012 0.000 0.290 82 I C -0.688 175.122 176.117 -0.511 0.000 0.994 82 I CA -0.740 60.188 61.300 -0.620 0.000 1.191 82 I CB 0.843 38.374 38.000 -0.781 0.000 1.343 82 I HN 0.527 nan 8.210 nan 0.000 0.458 83 Y N 5.856 126.118 120.300 -0.063 0.000 2.356 83 Y HA 0.284 4.827 4.550 -0.012 0.000 0.334 83 Y C -0.259 175.744 175.900 0.171 0.000 0.958 83 Y CA -0.765 57.424 58.100 0.149 0.000 1.196 83 Y CB 1.075 39.584 38.460 0.081 0.000 1.137 83 Y HN 0.398 nan 8.280 nan 0.000 0.485 84 Y N 4.614 125.098 120.300 0.306 0.000 2.518 84 Y HA 0.467 5.009 4.550 -0.012 0.000 0.344 84 Y C -1.169 175.000 175.900 0.448 0.000 0.982 84 Y CA -0.971 57.317 58.100 0.313 0.000 1.234 84 Y CB 0.211 38.856 38.460 0.308 0.000 1.114 84 Y HN 0.518 nan 8.280 nan 0.000 0.515 85 L N 4.948 126.235 121.223 0.106 0.000 2.265 85 L HA 0.474 4.806 4.340 -0.012 0.000 0.288 85 L C -0.122 176.751 176.870 0.004 0.000 1.058 85 L CA 0.205 55.146 54.840 0.169 0.000 0.809 85 L CB 1.239 43.363 42.059 0.109 0.000 1.179 85 L HN 0.577 nan 8.230 nan 0.000 0.429 86 S N 2.604 118.391 115.700 0.145 0.000 2.537 86 S HA 0.494 4.957 4.470 -0.012 0.000 0.270 86 S C -0.030 174.654 174.600 0.140 0.000 1.142 86 S CA -0.541 57.648 58.200 -0.019 0.000 0.870 86 S CB 0.991 63.954 63.200 -0.394 0.000 1.112 86 S HN 0.454 nan 8.310 nan 0.000 0.466 87 L N 2.708 124.049 121.223 0.197 0.000 2.611 87 L HA 0.503 4.836 4.340 -0.012 0.000 0.229 87 L C 0.152 177.200 176.870 0.297 0.000 1.137 87 L CA 0.828 55.847 54.840 0.299 0.000 0.901 87 L CB -0.150 42.092 42.059 0.306 0.000 1.098 87 L HN 0.655 nan 8.230 nan 0.000 0.456 88 E N -1.177 119.070 120.200 0.078 0.000 2.304 88 E HA 0.372 4.715 4.350 -0.012 0.000 0.277 88 E C -1.438 175.024 176.600 -0.231 0.000 0.898 88 E CA -0.387 56.041 56.400 0.047 0.000 0.764 88 E CB 1.818 31.531 29.700 0.022 0.000 1.216 88 E HN -0.158 nan 8.360 nan 0.000 0.419 89 F N 2.340 122.393 119.950 0.171 0.000 2.902 89 F HA 0.190 4.709 4.527 -0.013 0.000 0.368 89 F C -0.902 174.985 175.800 0.144 0.000 1.202 89 F CA -0.711 57.383 58.000 0.156 0.000 1.109 89 F CB 0.973 40.059 39.000 0.144 0.000 1.418 89 F HN 0.475 nan 8.300 nan 0.000 0.527 90 Y N 5.365 125.742 120.300 0.128 0.000 2.632 90 Y HA 0.211 4.754 4.550 -0.012 0.000 0.336 90 Y C 1.017 176.938 175.900 0.035 0.000 1.237 90 Y CA -1.089 57.036 58.100 0.041 0.000 1.595 90 Y CB 0.335 38.801 38.460 0.009 0.000 1.508 90 Y HN 0.539 nan 8.280 nan 0.000 0.480 91 M N 1.411 121.147 119.600 0.226 0.000 2.236 91 M HA 0.116 4.588 4.480 -0.012 0.000 0.266 91 M C 1.528 177.799 176.300 -0.047 0.000 1.070 91 M CA 1.120 56.455 55.300 0.058 0.000 1.137 91 M CB -1.241 31.372 32.600 0.022 0.000 1.378 91 M HN 0.652 nan 8.290 nan 0.000 0.426 92 G N 1.123 109.908 108.800 -0.024 0.000 2.598 92 G HA2 -0.263 3.690 3.960 -0.012 0.000 0.244 92 G HA3 -0.263 3.690 3.960 -0.012 0.000 0.244 92 G C -0.455 174.400 174.900 -0.075 0.000 1.302 92 G CA -0.344 44.701 45.100 -0.092 0.000 0.903 92 G HN 0.455 nan 8.290 nan 0.000 0.575 93 R N -0.524 119.917 120.500 -0.100 0.000 2.641 93 R HA 0.530 4.862 4.340 -0.012 0.000 0.269 93 R C 1.582 177.777 176.300 -0.176 0.000 1.074 93 R CA 0.508 56.562 56.100 -0.078 0.000 1.133 93 R CB 0.694 30.948 30.300 -0.076 0.000 1.029 93 R HN 0.898 nan 8.270 nan 0.000 0.488 94 T N -0.139 114.266 114.554 -0.248 0.000 3.043 94 T HA 0.040 4.383 4.350 -0.012 0.000 0.272 94 T C 1.199 175.531 174.700 -0.614 0.000 0.990 94 T CA -0.259 61.513 62.100 -0.548 0.000 0.897 94 T CB 0.196 68.499 68.868 -0.942 0.000 1.111 94 T HN 0.335 nan 8.240 nan 0.000 0.529 95 L N 1.795 122.901 121.223 -0.195 0.000 1.988 95 L HA 0.161 4.493 4.340 -0.012 0.000 0.207 95 L C 2.610 179.457 176.870 -0.038 0.000 1.071 95 L CA 2.196 57.069 54.840 0.055 0.000 0.744 95 L CB -0.938 41.350 42.059 0.382 0.000 0.893 95 L HN 0.379 nan 8.230 nan 0.000 0.433 96 Q N -0.666 119.107 119.800 -0.046 0.000 2.050 96 Q HA -0.259 4.073 4.340 -0.012 0.000 0.202 96 Q C 2.234 178.167 176.000 -0.112 0.000 0.980 96 Q CA 1.920 57.686 55.803 -0.061 0.000 0.840 96 Q CB -0.339 28.359 28.738 -0.068 0.000 0.898 96 Q HN 0.687 nan 8.270 nan 0.000 0.424 97 N N -0.981 117.613 118.700 -0.176 0.000 2.149 97 N HA -0.154 4.579 4.740 -0.012 0.000 0.188 97 N C 1.355 176.761 175.510 -0.173 0.000 1.019 97 N CA 1.803 54.738 53.050 -0.191 0.000 0.857 97 N CB 0.046 38.383 38.487 -0.249 0.000 0.997 97 N HN 0.232 nan 8.380 nan 0.000 0.426 98 T N 1.114 115.533 114.554 -0.225 0.000 2.821 98 T HA -0.019 4.323 4.350 -0.012 0.000 0.267 98 T C 2.048 176.687 174.700 -0.102 0.000 1.046 98 T CA 0.902 62.884 62.100 -0.197 0.000 1.139 98 T CB -0.022 68.680 68.868 -0.276 0.000 0.871 98 T HN 0.263 nan 8.240 nan 0.000 0.454 99 M N 0.507 120.065 119.600 -0.070 0.000 2.117 99 M HA -0.075 4.397 4.480 -0.012 0.000 0.262 99 M C 2.444 178.711 176.300 -0.055 0.000 1.065 99 M CA 1.206 56.478 55.300 -0.046 0.000 1.114 99 M CB -0.541 32.048 32.600 -0.018 0.000 1.361 99 M HN 0.101 nan 8.290 nan 0.000 0.408 100 V N 0.882 120.769 119.914 -0.046 0.000 2.295 100 V HA -0.259 3.853 4.120 -0.012 0.000 0.246 100 V C 1.733 177.834 176.094 0.011 0.000 1.049 100 V CA 1.828 64.125 62.300 -0.005 0.000 1.024 100 V CB -0.800 31.023 31.823 0.001 0.000 0.648 100 V HN 0.468 nan 8.190 nan 0.000 0.447 101 N N -0.401 118.291 118.700 -0.013 0.000 2.512 101 N HA -0.026 4.706 4.740 -0.012 0.000 0.183 101 N C 1.028 176.430 175.510 -0.181 0.000 1.073 101 N CA 0.650 53.667 53.050 -0.055 0.000 0.911 101 N CB 0.020 38.491 38.487 -0.026 0.000 0.964 101 N HN 0.276 nan 8.380 nan 0.000 0.447 102 L N -0.386 120.755 121.223 -0.137 0.000 2.693 102 L HA 0.415 4.747 4.340 -0.012 0.000 0.235 102 L C 0.544 177.328 176.870 -0.144 0.000 1.127 102 L CA -0.248 54.511 54.840 -0.135 0.000 0.914 102 L CB -0.688 41.317 42.059 -0.089 0.000 1.193 102 L HN 0.081 nan 8.230 nan 0.000 0.502 103 A N -0.479 122.255 122.820 -0.144 0.000 2.869 103 A HA -0.221 4.092 4.320 -0.012 0.000 0.280 103 A C 1.087 178.611 177.584 -0.099 0.000 1.458 103 A CA 0.977 52.943 52.037 -0.118 0.000 0.776 103 A CB -1.965 16.953 19.000 -0.136 0.000 1.028 103 A HN 0.224 nan 8.150 nan 0.000 0.547 104 L N -0.877 120.288 121.223 -0.096 0.000 2.664 104 L HA 0.249 4.581 4.340 -0.012 0.000 0.233 104 L C 1.846 178.679 176.870 -0.061 0.000 1.113 104 L CA 1.600 56.378 54.840 -0.103 0.000 0.896 104 L CB -0.262 41.714 42.059 -0.139 0.000 1.163 104 L HN 0.615 nan 8.230 nan 0.000 0.497 105 E N -0.194 119.980 120.200 -0.044 0.000 2.070 105 E HA -0.256 4.086 4.350 -0.012 0.000 0.197 105 E C 1.634 178.221 176.600 -0.022 0.000 1.004 105 E CA 1.626 58.011 56.400 -0.025 0.000 0.805 105 E CB 0.240 29.927 29.700 -0.020 0.000 0.744 105 E HN 0.399 nan 8.360 nan 0.000 0.451 106 N N -0.265 118.418 118.700 -0.029 0.000 2.171 106 N HA -0.063 4.670 4.740 -0.012 0.000 0.184 106 N C 1.526 177.020 175.510 -0.027 0.000 1.021 106 N CA 1.191 54.223 53.050 -0.029 0.000 0.854 106 N CB -0.407 38.062 38.487 -0.031 0.000 0.994 106 N HN 0.226 nan 8.380 nan 0.000 0.426 107 A N 0.434 123.236 122.820 -0.031 0.000 1.883 107 A HA -0.169 4.143 4.320 -0.012 0.000 0.217 107 A C 2.636 180.213 177.584 -0.013 0.000 1.186 107 A CA 1.459 53.481 52.037 -0.025 0.000 0.624 107 A CB -1.091 17.884 19.000 -0.041 0.000 0.822 107 A HN 0.441 nan 8.150 nan 0.000 0.444 108 C N -0.947 118.345 119.300 -0.013 0.000 2.440 108 C HA -0.065 4.388 4.460 -0.012 0.000 0.278 108 C C 2.480 177.473 174.990 0.004 0.000 1.295 108 C CA 1.071 60.093 59.018 0.007 0.000 1.738 108 C CB -1.095 26.660 27.740 0.024 0.000 1.987 108 C HN 0.663 nan 8.230 nan 0.000 0.492 109 D N 0.592 120.993 120.400 0.002 0.000 2.097 109 D HA -0.132 4.501 4.640 -0.012 0.000 0.195 109 D C 2.134 178.447 176.300 0.021 0.000 0.989 109 D CA 1.474 55.478 54.000 0.006 0.000 0.827 109 D CB -0.262 40.530 40.800 -0.014 0.000 0.966 109 D HN 0.467 nan 8.370 nan 0.000 0.456 110 E N 0.578 120.780 120.200 0.004 0.000 2.031 110 E HA -0.105 4.237 4.350 -0.012 0.000 0.193 110 E C 1.908 178.550 176.600 0.071 0.000 0.994 110 E CA 1.807 58.224 56.400 0.029 0.000 0.800 110 E CB -0.619 29.082 29.700 0.003 0.000 0.752 110 E HN 0.187 nan 8.360 nan 0.000 0.447 111 A N -0.128 122.702 122.820 0.017 0.000 1.892 111 A HA -0.246 4.067 4.320 -0.012 0.000 0.218 111 A C 2.520 180.044 177.584 -0.100 0.000 1.188 111 A CA 3.154 55.177 52.037 -0.024 0.000 0.631 111 A CB -1.597 17.390 19.000 -0.023 0.000 0.822 111 A HN 0.543 nan 8.150 nan 0.000 0.447 112 T N -3.838 110.646 114.554 -0.118 0.000 2.915 112 T HA -0.193 4.150 4.350 -0.012 0.000 0.269 112 T C 1.783 176.403 174.700 -0.133 0.000 1.071 112 T CA 1.498 63.465 62.100 -0.223 0.000 1.132 112 T CB -0.517 68.255 68.868 -0.159 0.000 0.878 112 T HN 0.504 nan 8.240 nan 0.000 0.479 113 Y N 2.059 122.280 120.300 -0.132 0.000 2.163 113 Y HA -0.034 4.509 4.550 -0.012 0.000 0.288 113 Y C 2.636 178.475 175.900 -0.101 0.000 1.136 113 Y CA 1.455 59.497 58.100 -0.097 0.000 1.147 113 Y CB -0.469 37.953 38.460 -0.064 0.000 0.987 113 Y HN 0.207 nan 8.280 nan 0.000 0.509 114 Q N -0.765 118.986 119.800 -0.082 0.000 2.291 114 Q HA -0.128 4.204 4.340 -0.012 0.000 0.206 114 Q C 1.458 177.337 176.000 -0.202 0.000 0.976 114 Q CA 0.838 56.553 55.803 -0.147 0.000 0.875 114 Q CB -0.060 28.667 28.738 -0.018 0.000 0.927 114 Q HN 0.353 nan 8.270 nan 0.000 0.450 115 L N -0.776 120.308 121.223 -0.233 0.000 2.591 115 L HA 0.138 4.471 4.340 -0.012 0.000 0.228 115 L C 1.103 177.805 176.870 -0.279 0.000 1.133 115 L CA 1.176 55.860 54.840 -0.261 0.000 0.880 115 L CB -0.474 41.336 42.059 -0.415 0.000 1.033 115 L HN 0.321 nan 8.230 nan 0.000 0.450 116 G N -0.080 108.535 108.800 -0.308 0.000 2.176 116 G HA2 -0.262 3.690 3.960 -0.012 0.000 0.252 116 G HA3 -0.262 3.690 3.960 -0.012 0.000 0.252 116 G C 0.103 174.854 174.900 -0.248 0.000 1.024 116 G CA 0.481 45.404 45.100 -0.295 0.000 0.755 116 G HN 0.321 nan 8.290 nan 0.000 0.507 117 L N -0.490 120.586 121.223 -0.245 0.000 2.341 117 L HA 0.631 4.964 4.340 -0.012 0.000 0.267 117 L C -0.449 176.380 176.870 -0.068 0.000 1.009 117 L CA -1.225 53.505 54.840 -0.182 0.000 0.819 117 L CB 1.812 43.705 42.059 -0.278 0.000 1.323 117 L HN 0.053 nan 8.230 nan 0.000 0.425 118 D N 1.836 122.229 120.400 -0.012 0.000 2.396 118 D HA 0.167 4.799 4.640 -0.012 0.000 0.225 118 D C 0.694 177.023 176.300 0.047 0.000 1.121 118 D CA -0.260 53.763 54.000 0.038 0.000 0.853 118 D CB 1.434 42.262 40.800 0.046 0.000 1.043 118 D HN 0.534 nan 8.370 nan 0.000 0.500 119 M N 3.184 122.813 119.600 0.048 0.000 2.144 119 M HA -0.196 4.277 4.480 -0.012 0.000 0.260 119 M C 1.444 177.786 176.300 0.069 0.000 1.067 119 M CA 1.669 57.006 55.300 0.062 0.000 1.095 119 M CB 0.162 32.792 32.600 0.050 0.000 1.365 119 M HN 0.414 nan 8.290 nan 0.000 0.406 120 E N -0.347 119.886 120.200 0.055 0.000 2.110 120 E HA -0.261 4.082 4.350 -0.012 0.000 0.193 120 E C 1.893 178.525 176.600 0.054 0.000 0.988 120 E CA 1.472 57.902 56.400 0.050 0.000 0.804 120 E CB -0.168 29.559 29.700 0.046 0.000 0.745 120 E HN 0.643 nan 8.360 nan 0.000 0.458 121 E N 0.236 120.472 120.200 0.059 0.000 2.153 121 E HA -0.194 4.149 4.350 -0.012 0.000 0.194 121 E C 1.817 178.456 176.600 0.064 0.000 0.988 121 E CA 0.562 56.996 56.400 0.058 0.000 0.811 121 E CB 0.205 29.942 29.700 0.061 0.000 0.746 121 E HN 0.082 nan 8.360 nan 0.000 0.466 122 L N 0.986 122.266 121.223 0.096 0.000 2.179 122 L HA -0.051 4.281 4.340 -0.012 0.000 0.208 122 L C 2.007 178.922 176.870 0.074 0.000 1.096 122 L CA 1.463 56.389 54.840 0.143 0.000 0.779 122 L CB -0.468 41.733 42.059 0.237 0.000 0.922 122 L HN 0.086 nan 8.230 nan 0.000 0.443 123 E N -0.627 119.609 120.200 0.061 0.000 2.153 123 E HA -0.185 4.157 4.350 -0.012 0.000 0.194 123 E C 1.761 178.311 176.600 -0.083 0.000 0.988 123 E CA 0.632 57.038 56.400 0.009 0.000 0.811 123 E CB 0.142 29.861 29.700 0.031 0.000 0.746 123 E HN 0.340 nan 8.360 nan 0.000 0.466 124 E N 0.102 120.271 120.200 -0.050 0.000 2.347 124 E HA -0.104 4.239 4.350 -0.012 0.000 0.196 124 E C 1.764 178.293 176.600 -0.118 0.000 1.008 124 E CA 0.525 56.897 56.400 -0.048 0.000 0.852 124 E CB 0.089 29.794 29.700 0.010 0.000 0.783 124 E HN 0.399 nan 8.360 nan 0.000 0.505 125 I N 0.769 121.207 120.570 -0.220 0.000 2.716 125 I HA -0.098 4.065 4.170 -0.012 0.000 0.259 125 I C 1.297 177.105 176.117 -0.516 0.000 1.172 125 I CA 0.169 61.278 61.300 -0.319 0.000 1.478 125 I CB 0.145 37.967 38.000 -0.297 0.000 1.104 125 I HN -0.034 nan 8.210 nan 0.000 0.439 126 E N 2.385 122.163 120.200 -0.704 0.000 2.415 126 E HA -0.072 4.271 4.350 -0.012 0.000 0.263 126 E C 0.037 176.524 176.600 -0.188 0.000 0.995 126 E CA -0.108 55.927 56.400 -0.609 0.000 0.915 126 E CB 0.589 30.037 29.700 -0.420 0.000 0.951 126 E HN 0.105 nan 8.360 nan 0.000 0.449 127 E N 2.994 123.171 120.200 -0.038 0.000 2.343 127 E HA 0.079 4.422 4.350 -0.012 0.000 0.269 127 E C -1.111 175.580 176.600 0.152 0.000 1.047 127 E CA -0.376 56.087 56.400 0.106 0.000 0.874 127 E CB 0.838 30.679 29.700 0.235 0.000 1.033 127 E HN 0.394 nan 8.360 nan 0.000 0.409 128 D N 1.394 121.869 120.400 0.125 0.000 2.345 128 D HA 0.308 4.941 4.640 -0.012 0.000 0.247 128 D C -0.922 175.425 176.300 0.078 0.000 1.108 128 D CA 0.156 54.206 54.000 0.084 0.000 0.894 128 D CB 1.097 41.931 40.800 0.057 0.000 1.203 128 D HN 0.433 nan 8.370 nan 0.000 0.430 129 A N 2.224 125.044 122.820 0.001 0.000 2.798 129 A HA 0.479 4.791 4.320 -0.012 0.000 0.316 129 A C 0.917 178.377 177.584 -0.206 0.000 1.506 129 A CA -0.516 51.351 52.037 -0.283 0.000 1.162 129 A CB -0.248 18.659 19.000 -0.156 0.000 1.138 129 A HN 0.533 nan 8.150 nan 0.000 0.532 130 G N 1.710 110.345 108.800 -0.276 0.000 3.581 130 G HA2 0.386 4.338 3.960 -0.012 0.000 0.255 130 G HA3 0.386 4.338 3.960 -0.012 0.000 0.255 130 G C 0.365 175.010 174.900 -0.424 0.000 1.121 130 G CA -0.276 44.707 45.100 -0.194 0.000 1.739 130 G HN 0.684 nan 8.290 nan 0.000 0.646 131 L N 1.361 122.397 121.223 -0.313 0.000 2.855 131 L HA 0.336 4.669 4.340 -0.012 0.000 0.245 131 L C 1.092 177.880 176.870 -0.136 0.000 1.276 131 L CA -0.163 54.598 54.840 -0.131 0.000 1.118 131 L CB -0.504 41.606 42.059 0.085 0.000 1.444 131 L HN 0.327 nan 8.230 nan 0.000 0.440 132 G N -1.284 107.209 108.800 -0.512 0.000 2.649 132 G HA2 0.209 4.161 3.960 -0.012 0.000 0.290 132 G HA3 0.209 4.161 3.960 -0.012 0.000 0.290 132 G C -0.102 174.401 174.900 -0.661 0.000 1.426 132 G CA -0.448 44.361 45.100 -0.485 0.000 0.794 132 G HN -0.066 nan 8.290 nan 0.000 0.483 133 N N -0.907 117.611 118.700 -0.303 0.000 2.432 133 N HA 0.216 4.948 4.740 -0.012 0.000 0.174 133 N C 1.127 176.632 175.510 -0.009 0.000 1.037 133 N CA 1.214 54.162 53.050 -0.169 0.000 0.892 133 N CB 1.442 39.919 38.487 -0.017 0.000 1.049 133 N HN 0.815 nan 8.380 nan 0.000 0.442 134 G N -0.523 108.347 108.800 0.117 0.000 2.927 134 G HA2 0.128 4.080 3.960 -0.012 0.000 0.111 134 G HA3 0.128 4.080 3.960 -0.012 0.000 0.111 134 G C 0.735 175.754 174.900 0.197 0.000 1.198 134 G CA 0.255 45.501 45.100 0.243 0.000 1.382 134 G HN 0.154 nan 8.290 nan 0.000 0.663 135 G N 0.449 109.311 108.800 0.102 0.000 2.418 135 G HA2 -0.024 3.929 3.960 -0.012 0.000 0.217 135 G HA3 -0.024 3.929 3.960 -0.012 0.000 0.217 135 G C 1.883 176.776 174.900 -0.010 0.000 1.158 135 G CA 1.483 46.606 45.100 0.038 0.000 0.771 135 G HN 0.733 nan 8.290 nan 0.000 0.545 136 L N 0.617 121.818 121.223 -0.037 0.000 2.046 136 L HA 0.119 4.451 4.340 -0.012 0.000 0.208 136 L C 2.822 179.624 176.870 -0.114 0.000 1.077 136 L CA 1.919 56.658 54.840 -0.169 0.000 0.747 136 L CB -0.489 41.461 42.059 -0.181 0.000 0.896 136 L HN 0.224 nan 8.230 nan 0.000 0.432 137 G N -0.926 107.868 108.800 -0.008 0.000 2.403 137 G HA2 -0.226 3.727 3.960 -0.012 0.000 0.216 137 G HA3 -0.226 3.727 3.960 -0.012 0.000 0.216 137 G C 1.693 176.665 174.900 0.120 0.000 1.154 137 G CA 0.171 45.292 45.100 0.035 0.000 0.784 137 G HN 0.159 nan 8.290 nan 0.000 0.538 138 R N 0.044 120.638 120.500 0.157 0.000 2.115 138 R HA 0.116 4.449 4.340 -0.012 0.000 0.226 138 R C 2.429 178.741 176.300 0.020 0.000 1.100 138 R CA 0.606 56.775 56.100 0.115 0.000 0.980 138 R CB -0.874 29.460 30.300 0.057 0.000 0.875 138 R HN 0.410 nan 8.270 nan 0.000 0.445 139 L N 0.606 121.769 121.223 -0.100 0.000 2.017 139 L HA -0.071 4.262 4.340 -0.012 0.000 0.208 139 L C 2.194 178.794 176.870 -0.450 0.000 1.073 139 L CA 2.184 56.829 54.840 -0.326 0.000 0.745 139 L CB -0.745 41.060 42.059 -0.424 0.000 0.894 139 L HN 0.167 nan 8.230 nan 0.000 0.432 140 A N -0.515 122.158 122.820 -0.245 0.000 1.908 140 A HA -0.182 4.131 4.320 -0.012 0.000 0.218 140 A C 2.445 180.101 177.584 0.120 0.000 1.181 140 A CA 1.965 53.949 52.037 -0.089 0.000 0.627 140 A CB -1.204 17.723 19.000 -0.121 0.000 0.818 140 A HN 0.583 nan 8.150 nan 0.000 0.445 141 A N -1.263 121.657 122.820 0.166 0.000 1.902 141 A HA -0.156 4.156 4.320 -0.012 0.000 0.217 141 A C 2.309 179.973 177.584 0.133 0.000 1.181 141 A CA 1.668 53.822 52.037 0.195 0.000 0.623 141 A CB -1.195 17.905 19.000 0.167 0.000 0.818 141 A HN 0.596 nan 8.150 nan 0.000 0.443 142 C N -1.697 117.682 119.300 0.132 0.000 2.446 142 C HA -0.007 4.446 4.460 -0.012 0.000 0.277 142 C C 2.404 177.559 174.990 0.274 0.000 1.275 142 C CA 0.492 59.625 59.018 0.191 0.000 1.727 142 C CB -1.535 26.340 27.740 0.226 0.000 2.010 142 C HN 0.614 nan 8.230 nan 0.000 0.486 143 F N 0.615 120.551 119.950 -0.023 0.000 2.126 143 F HA -0.098 4.422 4.527 -0.013 0.000 0.299 143 F C 2.116 177.855 175.800 -0.102 0.000 1.096 143 F CA 1.142 59.075 58.000 -0.112 0.000 1.255 143 F CB -1.352 37.447 39.000 -0.336 0.000 0.997 143 F HN 0.092 nan 8.300 nan 0.000 0.479 144 L N 0.311 121.610 121.223 0.127 0.000 2.042 144 L HA -0.228 4.104 4.340 -0.012 0.000 0.210 144 L C 2.402 179.281 176.870 0.015 0.000 1.076 144 L CA 1.893 56.761 54.840 0.046 0.000 0.749 144 L CB -1.228 40.865 42.059 0.058 0.000 0.893 144 L HN 0.180 nan 8.230 nan 0.000 0.432 145 D N -1.322 119.097 120.400 0.031 0.000 2.117 145 D HA -0.165 4.467 4.640 -0.012 0.000 0.197 145 D C 1.910 178.223 176.300 0.022 0.000 0.987 145 D CA 1.498 55.502 54.000 0.007 0.000 0.829 145 D CB 0.432 41.233 40.800 0.003 0.000 0.961 145 D HN 0.299 nan 8.370 nan 0.000 0.460 146 S N -0.201 115.527 115.700 0.047 0.000 2.387 146 S HA -0.046 4.417 4.470 -0.012 0.000 0.226 146 S C 2.116 176.723 174.600 0.012 0.000 1.026 146 S CA 0.671 58.891 58.200 0.033 0.000 0.972 146 S CB -0.086 63.138 63.200 0.039 0.000 0.814 146 S HN 0.331 nan 8.310 nan 0.000 0.477 147 M N 0.891 120.490 119.600 -0.001 0.000 2.159 147 M HA -0.082 4.390 4.480 -0.012 0.000 0.263 147 M C 2.368 178.667 176.300 -0.003 0.000 1.063 147 M CA 1.353 56.649 55.300 -0.006 0.000 1.110 147 M CB -0.407 32.170 32.600 -0.038 0.000 1.374 147 M HN 0.395 nan 8.290 nan 0.000 0.411 148 A N -0.524 122.292 122.820 -0.007 0.000 1.897 148 A HA -0.099 4.214 4.320 -0.012 0.000 0.215 148 A C 2.140 179.736 177.584 0.019 0.000 1.181 148 A CA 1.835 53.871 52.037 -0.001 0.000 0.620 148 A CB -0.977 18.005 19.000 -0.029 0.000 0.821 148 A HN 0.390 nan 8.150 nan 0.000 0.443 149 T N 0.281 114.852 114.554 0.028 0.000 2.881 149 T HA 0.010 4.353 4.350 -0.012 0.000 0.270 149 T C 1.292 176.019 174.700 0.046 0.000 1.068 149 T CA 1.017 63.148 62.100 0.053 0.000 1.131 149 T CB -0.258 68.650 68.868 0.066 0.000 0.871 149 T HN 0.327 nan 8.240 nan 0.000 0.479 150 L N 0.487 121.732 121.223 0.037 0.000 2.653 150 L HA 0.295 4.628 4.340 -0.012 0.000 0.231 150 L C 1.515 178.411 176.870 0.044 0.000 1.153 150 L CA -0.158 54.705 54.840 0.038 0.000 0.933 150 L CB -0.408 41.673 42.059 0.036 0.000 1.175 150 L HN 0.370 nan 8.230 nan 0.000 0.473 151 G N 1.439 110.268 108.800 0.048 0.000 2.323 151 G HA2 -0.285 3.668 3.960 -0.012 0.000 0.292 151 G HA3 -0.285 3.668 3.960 -0.012 0.000 0.292 151 G C -0.021 174.918 174.900 0.066 0.000 1.040 151 G CA 0.129 45.272 45.100 0.072 0.000 0.942 151 G HN 0.290 nan 8.290 nan 0.000 0.506 152 L N -0.343 120.892 121.223 0.020 0.000 2.325 152 L HA 0.651 4.983 4.340 -0.012 0.000 0.279 152 L C 1.129 177.875 176.870 -0.208 0.000 1.054 152 L CA -0.575 54.227 54.840 -0.062 0.000 0.804 152 L CB 1.827 43.866 42.059 -0.033 0.000 1.200 152 L HN 0.266 nan 8.230 nan 0.000 0.436 153 A N 2.996 125.545 122.820 -0.453 0.000 3.026 153 A HA 0.561 4.873 4.320 -0.012 0.000 0.272 153 A C 0.306 177.568 177.584 -0.538 0.000 1.782 153 A CA -0.151 51.357 52.037 -0.883 0.000 1.451 153 A CB -0.681 17.697 19.000 -1.037 0.000 1.081 153 A HN 0.677 nan 8.150 nan 0.000 0.611 154 A N 1.338 123.888 122.820 -0.450 0.000 2.337 154 A HA 0.779 5.092 4.320 -0.012 0.000 0.329 154 A C -0.978 176.366 177.584 -0.401 0.000 1.146 154 A CA -0.454 51.376 52.037 -0.345 0.000 0.800 154 A CB 0.708 19.567 19.000 -0.235 0.000 1.220 154 A HN 0.601 nan 8.150 nan 0.000 0.472 155 Y N 0.387 120.644 120.300 -0.071 0.000 2.391 155 Y HA 0.543 5.086 4.550 -0.012 0.000 0.341 155 Y C 0.885 176.876 175.900 0.152 0.000 0.965 155 Y CA -0.553 57.574 58.100 0.045 0.000 1.067 155 Y CB 2.390 40.968 38.460 0.196 0.000 1.199 155 Y HN 0.818 nan 8.280 nan 0.000 0.450 156 G N 2.151 111.023 108.800 0.121 0.000 2.338 156 G HA2 0.445 4.398 3.960 -0.012 0.000 0.298 156 G HA3 0.445 4.398 3.960 -0.012 0.000 0.298 156 G C -1.788 173.126 174.900 0.023 0.000 1.140 156 G CA -0.249 44.949 45.100 0.163 0.000 0.860 156 G HN 0.522 nan 8.290 nan 0.000 0.470 157 Y N 1.086 121.609 120.300 0.371 0.000 2.350 157 Y HA 0.626 5.169 4.550 -0.012 0.000 0.338 157 Y C 0.741 176.934 175.900 0.488 0.000 0.961 157 Y CA 0.223 58.507 58.100 0.307 0.000 1.100 157 Y CB 2.629 41.293 38.460 0.340 0.000 1.179 157 Y HN 0.877 nan 8.280 nan 0.000 0.454 158 G N 2.438 111.551 108.800 0.521 0.000 2.772 158 G HA2 0.569 4.521 3.960 -0.012 0.000 0.284 158 G HA3 0.569 4.521 3.960 -0.012 0.000 0.284 158 G C -1.732 173.408 174.900 0.400 0.000 1.217 158 G CA -0.799 44.638 45.100 0.562 0.000 0.831 158 G HN 0.414 nan 8.290 nan 0.000 0.523 159 I N 0.623 121.329 120.570 0.226 0.000 2.474 159 I HA 0.435 4.597 4.170 -0.012 0.000 0.294 159 I C 0.133 176.152 176.117 -0.164 0.000 1.005 159 I CA -0.724 60.594 61.300 0.031 0.000 1.113 159 I CB 2.237 40.068 38.000 -0.281 0.000 1.289 159 I HN 0.358 nan 8.210 nan 0.000 0.436 160 R N 6.186 126.693 120.500 0.011 0.000 2.593 160 R HA 0.259 4.591 4.340 -0.012 0.000 0.282 160 R C -1.300 175.049 176.300 0.082 0.000 1.300 160 R CA -0.442 55.697 56.100 0.065 0.000 1.221 160 R CB 0.015 30.337 30.300 0.036 0.000 1.157 160 R HN 0.393 nan 8.270 nan 0.000 0.555 161 Y N 1.705 122.164 120.300 0.266 0.000 2.411 161 Y HA -0.029 4.514 4.550 -0.013 0.000 0.333 161 Y C 1.516 177.592 175.900 0.294 0.000 1.186 161 Y CA -0.117 58.127 58.100 0.241 0.000 1.381 161 Y CB 0.941 39.523 38.460 0.203 0.000 1.273 161 Y HN 0.563 nan 8.280 nan 0.000 0.546 162 E N 1.168 121.544 120.200 0.294 0.000 2.442 162 E HA 0.042 4.385 4.350 -0.012 0.000 0.195 162 E C -0.775 175.724 176.600 -0.168 0.000 1.030 162 E CA 0.476 56.877 56.400 0.002 0.000 0.869 162 E CB 0.112 29.629 29.700 -0.305 0.000 0.857 162 E HN 0.430 nan 8.360 nan 0.000 0.505 163 F N 1.162 121.349 119.950 0.395 0.000 2.496 163 F HA 0.475 4.995 4.527 -0.013 0.000 0.341 163 F C 0.843 176.731 175.800 0.147 0.000 1.134 163 F CA -1.068 57.105 58.000 0.288 0.000 0.968 163 F CB 2.087 41.188 39.000 0.169 0.000 1.205 163 F HN -0.062 nan 8.300 nan 0.000 0.436 164 G N 1.967 110.872 108.800 0.176 0.000 2.582 164 G HA2 0.332 4.285 3.960 -0.012 0.000 0.232 164 G HA3 0.332 4.285 3.960 -0.012 0.000 0.232 164 G C -0.533 174.322 174.900 -0.076 0.000 1.458 164 G CA -0.679 44.368 45.100 -0.087 0.000 1.062 164 G HN 0.511 nan 8.290 nan 0.000 0.566 165 I N 1.089 121.535 120.570 -0.207 0.000 2.683 165 I HA 0.215 4.377 4.170 -0.012 0.000 0.286 165 I C 0.563 176.587 176.117 -0.155 0.000 1.175 165 I CA -1.153 60.006 61.300 -0.235 0.000 1.429 165 I CB -0.349 37.410 38.000 -0.401 0.000 1.371 165 I HN 0.332 nan 8.210 nan 0.000 0.569 166 F N 6.419 126.378 119.950 0.015 0.000 2.626 166 F HA 0.220 4.740 4.527 -0.012 0.000 0.354 166 F C 0.462 176.312 175.800 0.083 0.000 1.168 166 F CA -0.450 57.583 58.000 0.054 0.000 1.368 166 F CB -0.246 38.775 39.000 0.034 0.000 1.092 166 F HN 0.437 nan 8.300 nan 0.000 0.612 167 N N 2.352 121.234 118.700 0.304 0.000 2.444 167 N HA 0.063 4.796 4.740 -0.012 0.000 0.271 167 N C -0.836 174.911 175.510 0.395 0.000 1.069 167 N CA -0.318 52.875 53.050 0.238 0.000 0.965 167 N CB 1.252 39.870 38.487 0.219 0.000 1.092 167 N HN 0.763 nan 8.380 nan 0.000 0.476 168 Q N 2.409 122.408 119.800 0.331 0.000 2.256 168 Q HA 0.204 4.536 4.340 -0.012 0.000 0.254 168 Q C -0.967 175.210 176.000 0.296 0.000 0.916 168 Q CA -0.207 55.838 55.803 0.404 0.000 0.932 168 Q CB 0.787 29.759 28.738 0.390 0.000 1.207 168 Q HN 0.272 nan 8.270 nan 0.000 0.426 169 K N 4.359 124.912 120.400 0.256 0.000 2.378 169 K HA 0.436 4.748 4.320 -0.012 0.000 0.252 169 K C -0.958 175.750 176.600 0.180 0.000 0.931 169 K CA -0.924 55.486 56.287 0.206 0.000 0.794 169 K CB 1.607 34.205 32.500 0.164 0.000 1.181 169 K HN 0.626 nan 8.250 nan 0.000 0.425 170 I N 2.700 123.370 120.570 0.167 0.000 2.307 170 I HA 0.181 4.344 4.170 -0.012 0.000 0.289 170 I C -0.102 176.079 176.117 0.107 0.000 1.021 170 I CA -0.690 60.678 61.300 0.114 0.000 1.224 170 I CB 0.514 38.564 38.000 0.083 0.000 1.376 170 I HN 0.454 nan 8.210 nan 0.000 0.470 171 C N 4.376 123.751 119.300 0.126 0.000 2.281 171 C HA 0.576 5.028 4.460 -0.012 0.000 0.323 171 C C 1.258 176.355 174.990 0.178 0.000 1.270 171 C CA -0.119 58.977 59.018 0.130 0.000 1.559 171 C CB 0.302 28.112 27.740 0.117 0.000 2.239 171 C HN 1.081 nan 8.230 nan 0.000 0.488 172 G N 2.962 111.838 108.800 0.127 0.000 2.225 172 G HA2 0.056 4.009 3.960 -0.012 0.000 0.267 172 G HA3 0.056 4.009 3.960 -0.012 0.000 0.267 172 G C 1.070 175.993 174.900 0.038 0.000 1.024 172 G CA 0.973 46.155 45.100 0.137 0.000 0.784 172 G HN 2.305 nan 8.290 nan 0.000 0.507 173 G N -3.023 105.742 108.800 -0.058 0.000 2.176 173 G HA2 -0.280 3.672 3.960 -0.012 0.000 0.253 173 G HA3 -0.280 3.672 3.960 -0.012 0.000 0.253 173 G C 0.335 174.990 174.900 -0.408 0.000 0.979 173 G CA 0.601 45.537 45.100 -0.273 0.000 0.641 173 G HN 1.174 nan 8.290 nan 0.000 0.530 174 W N 0.744 121.994 121.300 -0.084 0.000 2.516 174 W HA 0.671 5.324 4.660 -0.012 0.000 0.343 174 W C 0.599 177.074 176.519 -0.074 0.000 1.094 174 W CA -0.893 56.397 57.345 -0.091 0.000 1.250 174 W CB 0.871 30.293 29.460 -0.063 0.000 1.308 174 W HN 0.247 nan 8.180 nan 0.000 0.588 175 Q N 2.864 122.776 119.800 0.186 0.000 2.304 175 Q HA 0.297 4.630 4.340 -0.012 0.000 0.260 175 Q C -0.668 175.400 176.000 0.113 0.000 0.965 175 Q CA 0.023 55.904 55.803 0.131 0.000 0.898 175 Q CB 0.622 29.433 28.738 0.121 0.000 1.196 175 Q HN 0.307 nan 8.270 nan 0.000 0.402 176 M N 3.144 122.807 119.600 0.105 0.000 2.393 176 M HA 0.387 4.860 4.480 -0.012 0.000 0.316 176 M C -1.141 175.181 176.300 0.037 0.000 1.087 176 M CA -0.641 54.688 55.300 0.048 0.000 0.937 176 M CB 1.756 34.396 32.600 0.067 0.000 1.668 176 M HN 0.636 nan 8.290 nan 0.000 0.438 177 E N 1.779 121.926 120.200 -0.090 0.000 2.204 177 E HA 0.527 4.869 4.350 -0.012 0.000 0.276 177 E C -0.648 175.944 176.600 -0.012 0.000 0.974 177 E CA -0.567 55.740 56.400 -0.155 0.000 0.815 177 E CB 1.786 31.109 29.700 -0.628 0.000 1.119 177 E HN 0.533 nan 8.360 nan 0.000 0.393 178 E N 1.250 121.524 120.200 0.123 0.000 2.321 178 E HA 0.607 4.949 4.350 -0.012 0.000 0.278 178 E C -1.238 175.455 176.600 0.155 0.000 0.902 178 E CA -1.279 55.182 56.400 0.102 0.000 0.758 178 E CB 1.310 31.077 29.700 0.111 0.000 1.213 178 E HN 0.530 nan 8.360 nan 0.000 0.426 179 A N 3.024 125.889 122.820 0.076 0.000 2.584 179 A HA -0.002 4.310 4.320 -0.012 0.000 0.239 179 A C 0.049 177.796 177.584 0.272 0.000 1.043 179 A CA 0.808 52.898 52.037 0.088 0.000 0.756 179 A CB -0.069 18.835 19.000 -0.159 0.000 0.963 179 A HN 0.690 nan 8.150 nan 0.000 0.511 180 D N 1.687 122.322 120.400 0.392 0.000 2.500 180 D HA 0.208 4.840 4.640 -0.012 0.000 0.219 180 D C -0.532 176.119 176.300 0.584 0.000 1.137 180 D CA -0.243 54.001 54.000 0.406 0.000 0.946 180 D CB 0.427 41.397 40.800 0.283 0.000 1.022 180 D HN 0.355 nan 8.370 nan 0.000 0.518 181 D N 4.137 124.843 120.400 0.511 0.000 2.713 181 D HA -0.012 4.620 4.640 -0.012 0.000 0.229 181 D C 1.108 177.577 176.300 0.282 0.000 1.136 181 D CA -0.557 53.665 54.000 0.370 0.000 1.010 181 D CB -0.148 40.866 40.800 0.356 0.000 1.084 181 D HN 0.583 nan 8.370 nan 0.000 0.495 182 W N 1.934 123.290 121.300 0.093 0.000 2.468 182 W HA -0.062 4.590 4.660 -0.012 0.000 0.262 182 W C 0.212 176.798 176.519 0.112 0.000 1.241 182 W CA 0.113 57.526 57.345 0.114 0.000 1.232 182 W CB -0.818 28.706 29.460 0.107 0.000 1.124 182 W HN 0.185 nan 8.180 nan 0.000 0.597 183 L N 0.931 121.811 121.223 -0.572 0.000 2.607 183 L HA 0.168 4.501 4.340 -0.012 0.000 0.228 183 L C 2.772 179.513 176.870 -0.215 0.000 1.123 183 L CA 0.045 54.538 54.840 -0.580 0.000 0.890 183 L CB -0.669 40.920 42.059 -0.783 0.000 1.103 183 L HN -0.110 nan 8.230 nan 0.000 0.468 184 R N 0.826 121.273 120.500 -0.088 0.000 2.159 184 R HA -0.255 4.078 4.340 -0.012 0.000 0.252 184 R C 1.249 177.446 176.300 -0.172 0.000 1.144 184 R CA 2.229 58.270 56.100 -0.098 0.000 0.961 184 R CB -0.262 30.027 30.300 -0.018 0.000 0.877 184 R HN 0.351 nan 8.270 nan 0.000 0.444 185 Y N -0.500 119.817 120.300 0.029 0.000 2.485 185 Y HA 0.330 4.872 4.550 -0.012 0.000 0.260 185 Y C 0.739 176.639 175.900 -0.000 0.000 1.173 185 Y CA 0.255 58.383 58.100 0.047 0.000 1.252 185 Y CB 1.173 39.762 38.460 0.215 0.000 1.123 185 Y HN 0.460 nan 8.280 nan 0.000 0.524 186 G N 1.481 110.329 108.800 0.080 0.000 2.690 186 G HA2 -0.236 3.717 3.960 -0.012 0.000 0.686 186 G HA3 -0.236 3.717 3.960 -0.012 0.000 0.686 186 G C -1.254 173.712 174.900 0.110 0.000 1.277 186 G CA -0.870 44.239 45.100 0.014 0.000 0.799 186 G HN 0.221 nan 8.290 nan 0.000 0.613 187 N N 1.466 120.177 118.700 0.018 0.000 2.569 187 N HA 0.547 5.280 4.740 -0.012 0.000 0.254 187 N C -0.722 174.792 175.510 0.007 0.000 1.004 187 N CA -2.095 50.989 53.050 0.057 0.000 0.904 187 N CB 1.908 40.374 38.487 -0.035 0.000 1.165 187 N HN 0.244 nan 8.380 nan 0.000 0.513 188 P HA 0.016 nan 4.420 nan 0.000 0.234 188 P C 0.523 177.499 177.300 -0.541 0.000 1.167 188 P CA 0.724 63.519 63.100 -0.509 0.000 0.763 188 P CB 0.080 31.191 31.700 -0.981 0.000 0.835 189 W N 1.612 122.928 121.300 0.027 0.000 2.630 189 W HA 0.084 4.737 4.660 -0.012 0.000 0.271 189 W C 1.294 177.858 176.519 0.075 0.000 1.244 189 W CA -0.371 56.986 57.345 0.019 0.000 1.353 189 W CB -0.228 29.242 29.460 0.016 0.000 1.080 189 W HN -0.043 nan 8.180 nan 0.000 0.594 190 E N 1.855 122.238 120.200 0.304 0.000 2.349 190 E HA 0.285 4.627 4.350 -0.012 0.000 0.262 190 E C -0.586 176.192 176.600 0.296 0.000 1.088 190 E CA -0.596 55.991 56.400 0.311 0.000 0.899 190 E CB 1.210 31.103 29.700 0.322 0.000 1.044 190 E HN -0.318 nan 8.360 nan 0.000 0.420 191 K N 1.504 122.096 120.400 0.319 0.000 2.559 191 K HA 0.395 4.708 4.320 -0.012 0.000 0.249 191 K C -1.196 175.445 176.600 0.069 0.000 0.958 191 K CA -0.426 55.985 56.287 0.207 0.000 0.901 191 K CB 1.395 34.030 32.500 0.225 0.000 1.124 191 K HN 0.663 nan 8.250 nan 0.000 0.437 192 A N 3.986 126.762 122.820 -0.074 0.000 2.511 192 A HA 0.319 4.631 4.320 -0.012 0.000 0.242 192 A C -0.226 177.175 177.584 -0.304 0.000 1.069 192 A CA -0.025 51.695 52.037 -0.530 0.000 0.763 192 A CB 0.216 18.911 19.000 -0.508 0.000 1.001 192 A HN 0.654 nan 8.150 nan 0.000 0.498 193 R N 3.223 123.535 120.500 -0.314 0.000 2.748 193 R HA 0.209 4.542 4.340 -0.012 0.000 0.283 193 R C -2.322 173.861 176.300 -0.196 0.000 1.507 193 R CA -1.825 54.182 56.100 -0.155 0.000 1.666 193 R CB 0.659 31.055 30.300 0.160 0.000 1.237 193 R HN 0.567 nan 8.270 nan 0.000 0.633 194 P HA -0.198 nan 4.420 nan 0.000 0.219 194 P C 0.897 178.091 177.300 -0.177 0.000 1.146 194 P CA 1.182 64.191 63.100 -0.151 0.000 0.808 194 P CB 0.362 31.986 31.700 -0.127 0.000 0.779 195 E N 0.034 120.010 120.200 -0.373 0.000 2.409 195 E HA -0.135 4.207 4.350 -0.012 0.000 0.198 195 E C 0.827 177.156 176.600 -0.452 0.000 1.024 195 E CA 0.756 56.868 56.400 -0.480 0.000 0.861 195 E CB -0.992 28.278 29.700 -0.717 0.000 0.788 195 E HN 0.381 nan 8.360 nan 0.000 0.521 196 F N 1.608 121.572 119.950 0.023 0.000 2.708 196 F HA 0.238 4.758 4.527 -0.012 0.000 0.300 196 F C 0.522 176.413 175.800 0.151 0.000 1.118 196 F CA -0.696 57.347 58.000 0.073 0.000 1.307 196 F CB 0.599 39.635 39.000 0.061 0.000 0.986 196 F HN -0.285 nan 8.300 nan 0.000 0.522 197 T N 2.873 117.560 114.554 0.221 0.000 2.940 197 T HA 0.226 4.569 4.350 -0.012 0.000 0.309 197 T C -0.262 174.545 174.700 0.178 0.000 1.056 197 T CA 0.359 62.593 62.100 0.223 0.000 1.137 197 T CB 0.850 69.799 68.868 0.135 0.000 0.976 197 T HN -0.118 nan 8.240 nan 0.000 0.547 198 L N 4.978 126.278 121.223 0.127 0.000 2.371 198 L HA 0.597 4.930 4.340 -0.012 0.000 0.262 198 L C -2.289 174.545 176.870 -0.060 0.000 1.006 198 L CA -2.575 52.266 54.840 0.002 0.000 0.818 198 L CB 2.047 44.038 42.059 -0.113 0.000 1.354 198 L HN 0.389 nan 8.230 nan 0.000 0.415 199 P HA 0.414 nan 4.420 nan 0.000 0.294 199 P C -1.236 175.925 177.300 -0.232 0.000 1.294 199 P CA -0.449 62.568 63.100 -0.138 0.000 0.827 199 P CB 1.977 33.595 31.700 -0.138 0.000 0.992 200 V N 4.155 123.920 119.914 -0.247 0.000 2.604 200 V HA 0.343 4.455 4.120 -0.012 0.000 0.305 200 V C 0.135 175.992 176.094 -0.395 0.000 1.043 200 V CA -0.605 61.538 62.300 -0.260 0.000 0.888 200 V CB 1.545 33.297 31.823 -0.118 0.000 0.995 200 V HN 0.611 nan 8.190 nan 0.000 0.429 201 H N 3.898 122.781 119.070 -0.312 0.000 2.499 201 H HA 0.619 5.167 4.556 -0.012 0.000 0.340 201 H C -1.342 173.574 175.328 -0.688 0.000 1.148 201 H CA -0.208 55.547 56.048 -0.487 0.000 1.215 201 H CB 1.945 31.194 29.762 -0.856 0.000 1.529 201 H HN 0.462 nan 8.280 nan 0.000 0.510 202 F N 0.190 120.135 119.950 -0.007 0.000 2.599 202 F HA 0.211 4.730 4.527 -0.013 0.000 0.311 202 F C -0.232 175.633 175.800 0.109 0.000 1.076 202 F CA -0.538 57.460 58.000 -0.003 0.000 0.937 202 F CB 1.077 40.009 39.000 -0.113 0.000 1.282 202 F HN 0.576 nan 8.300 nan 0.000 0.460 203 Y N 0.294 120.837 120.300 0.405 0.000 2.887 203 Y HA -0.045 4.498 4.550 -0.012 0.000 0.467 203 Y C 1.445 177.556 175.900 0.352 0.000 1.191 203 Y CA 0.682 58.955 58.100 0.288 0.000 2.537 203 Y CB -1.951 36.608 38.460 0.164 0.000 1.225 203 Y HN 1.282 nan 8.280 nan 0.000 0.630 204 G N 0.847 109.879 108.800 0.387 0.000 2.598 204 G HA2 0.083 4.035 3.960 -0.012 0.000 0.244 204 G HA3 0.083 4.035 3.960 -0.012 0.000 0.244 204 G C -0.466 174.625 174.900 0.318 0.000 1.302 204 G CA 1.132 46.385 45.100 0.255 0.000 0.903 204 G HN 1.385 nan 8.290 nan 0.000 0.575 205 R N -2.640 118.048 120.500 0.314 0.000 2.747 205 R HA 0.690 5.023 4.340 -0.012 0.000 0.272 205 R C -1.581 174.847 176.300 0.212 0.000 1.032 205 R CA -0.856 55.377 56.100 0.221 0.000 0.896 205 R CB 1.176 31.554 30.300 0.130 0.000 1.253 205 R HN 0.968 nan 8.270 nan 0.000 0.461 206 V N 0.987 120.945 119.914 0.072 0.000 2.398 206 V HA 0.369 4.482 4.120 -0.012 0.000 0.286 206 V C -0.272 175.762 176.094 -0.101 0.000 1.026 206 V CA -0.572 61.702 62.300 -0.044 0.000 0.868 206 V CB 1.426 33.149 31.823 -0.166 0.000 0.982 206 V HN 0.667 nan 8.190 nan 0.000 0.443 207 E N 3.105 123.230 120.200 -0.125 0.000 2.166 207 E HA 0.401 4.743 4.350 -0.012 0.000 0.275 207 E C -1.003 175.476 176.600 -0.201 0.000 0.941 207 E CA -0.699 55.647 56.400 -0.089 0.000 0.784 207 E CB 1.046 30.737 29.700 -0.016 0.000 1.115 207 E HN 0.652 nan 8.360 nan 0.000 0.399 208 H N 2.508 121.592 119.070 0.022 0.000 2.724 208 H HA 0.179 4.727 4.556 -0.012 0.000 0.278 208 H C -0.371 174.966 175.328 0.014 0.000 1.159 208 H CA -0.213 55.843 56.048 0.014 0.000 1.254 208 H CB 0.704 30.470 29.762 0.006 0.000 1.412 208 H HN 0.423 nan 8.280 nan 0.000 0.488 209 T N 0.030 114.637 114.554 0.088 0.000 2.824 209 T HA 0.290 4.633 4.350 -0.012 0.000 0.282 209 T C 1.147 175.880 174.700 0.054 0.000 0.993 209 T CA -0.218 61.919 62.100 0.062 0.000 0.967 209 T CB 1.921 70.812 68.868 0.038 0.000 0.960 209 T HN 0.532 nan 8.240 nan 0.000 0.441 210 S N 2.749 118.477 115.700 0.046 0.000 2.746 210 S HA -0.377 4.086 4.470 -0.012 0.000 0.526 210 S C 0.929 175.551 174.600 0.037 0.000 0.959 210 S CA 1.891 60.112 58.200 0.036 0.000 3.281 210 S CB -1.409 61.808 63.200 0.028 0.000 2.286 210 S HN 0.845 nan 8.310 nan 0.000 0.525 211 Q N 3.014 122.835 119.800 0.035 0.000 2.923 211 Q HA 0.569 4.902 4.340 -0.012 0.000 0.363 211 Q C 0.293 176.315 176.000 0.038 0.000 1.159 211 Q CA 0.825 56.649 55.803 0.034 0.000 1.073 211 Q CB 0.386 29.141 28.738 0.027 0.000 1.364 211 Q HN 1.001 nan 8.270 nan 0.000 0.466 212 G N -0.364 108.468 108.800 0.053 0.000 2.440 212 G HA2 0.250 4.202 3.960 -0.012 0.000 0.684 212 G HA3 0.250 4.202 3.960 -0.012 0.000 0.684 212 G C -1.081 173.847 174.900 0.047 0.000 1.309 212 G CA -0.653 44.480 45.100 0.056 0.000 0.931 212 G HN 0.483 nan 8.290 nan 0.000 0.612 213 A N 0.265 123.098 122.820 0.021 0.000 2.286 213 A HA 0.846 5.159 4.320 -0.012 0.000 0.286 213 A C 0.347 177.884 177.584 -0.079 0.000 1.097 213 A CA -0.029 51.944 52.037 -0.106 0.000 0.821 213 A CB 0.917 19.805 19.000 -0.187 0.000 1.076 213 A HN 0.782 nan 8.150 nan 0.000 0.490 214 K N 0.528 120.870 120.400 -0.097 0.000 2.507 214 K HA 0.194 4.506 4.320 -0.012 0.000 0.251 214 K C -1.821 174.813 176.600 0.057 0.000 0.943 214 K CA -0.388 55.891 56.287 -0.014 0.000 0.794 214 K CB 1.893 34.388 32.500 -0.009 0.000 1.188 214 K HN 0.726 nan 8.250 nan 0.000 0.428 215 W N 4.999 126.213 121.300 -0.143 0.000 2.358 215 W HA 0.361 5.013 4.660 -0.013 0.000 0.307 215 W C -1.021 175.424 176.519 -0.123 0.000 1.203 215 W CA -0.594 56.668 57.345 -0.138 0.000 1.279 215 W CB 0.445 29.810 29.460 -0.159 0.000 1.264 215 W HN 0.191 nan 8.180 nan 0.000 0.474 216 V N 6.514 126.513 119.914 0.141 0.000 3.074 216 V HA 0.332 4.445 4.120 -0.012 0.000 0.314 216 V C -0.481 175.587 176.094 -0.042 0.000 1.117 216 V CA -0.619 61.670 62.300 -0.018 0.000 1.014 216 V CB 2.108 33.945 31.823 0.023 0.000 1.057 216 V HN 0.459 nan 8.190 nan 0.000 0.438 217 D N 1.468 121.830 120.400 -0.063 0.000 2.689 217 D HA -0.129 4.503 4.640 -0.012 0.000 0.237 217 D C 0.410 176.661 176.300 -0.082 0.000 1.148 217 D CA 1.369 55.334 54.000 -0.058 0.000 0.656 217 D CB -1.165 39.629 40.800 -0.009 0.000 1.050 217 D HN 0.848 nan 8.370 nan 0.000 0.426 218 T N -3.077 111.381 114.554 -0.160 0.000 2.902 218 T HA 0.411 4.753 4.350 -0.012 0.000 0.280 218 T C 0.238 174.911 174.700 -0.046 0.000 0.992 218 T CA -0.893 61.119 62.100 -0.146 0.000 1.015 218 T CB 2.668 71.271 68.868 -0.441 0.000 1.044 218 T HN 0.206 nan 8.240 nan 0.000 0.520 219 Q N 1.171 121.017 119.800 0.077 0.000 2.257 219 Q HA 0.514 4.847 4.340 -0.012 0.000 0.255 219 Q C -1.452 174.610 176.000 0.104 0.000 0.920 219 Q CA -0.821 55.030 55.803 0.079 0.000 0.927 219 Q CB 1.273 30.134 28.738 0.204 0.000 1.229 219 Q HN 0.622 nan 8.270 nan 0.000 0.433 220 V N 4.370 124.299 119.914 0.026 0.000 2.427 220 V HA 0.443 4.556 4.120 -0.012 0.000 0.286 220 V C -0.333 175.806 176.094 0.075 0.000 1.034 220 V CA -0.591 61.679 62.300 -0.049 0.000 0.893 220 V CB 1.677 33.427 31.823 -0.122 0.000 0.982 220 V HN 0.639 nan 8.190 nan 0.000 0.452 221 V N 5.856 125.848 119.914 0.130 0.000 2.656 221 V HA 0.510 4.622 4.120 -0.012 0.000 0.307 221 V C -0.249 175.955 176.094 0.183 0.000 1.051 221 V CA -0.637 61.782 62.300 0.197 0.000 0.893 221 V CB 1.986 33.999 31.823 0.316 0.000 0.999 221 V HN 0.638 nan 8.190 nan 0.000 0.426 222 L N 3.254 124.588 121.223 0.184 0.000 2.357 222 L HA 0.822 5.155 4.340 -0.012 0.000 0.273 222 L C 0.338 177.399 176.870 0.320 0.000 1.080 222 L CA -0.504 54.441 54.840 0.176 0.000 0.803 222 L CB 1.451 43.592 42.059 0.137 0.000 1.174 222 L HN 0.739 nan 8.230 nan 0.000 0.443 223 A N 4.236 127.187 122.820 0.218 0.000 2.285 223 A HA 0.619 4.932 4.320 -0.012 0.000 0.310 223 A C -0.553 177.293 177.584 0.436 0.000 1.266 223 A CA -0.462 51.732 52.037 0.261 0.000 0.832 223 A CB 1.023 19.729 19.000 -0.489 0.000 1.163 223 A HN 0.791 nan 8.150 nan 0.000 0.499 224 M N 5.893 125.814 119.600 0.534 0.000 2.180 224 M HA 0.503 4.976 4.480 -0.012 0.000 0.350 224 M C -2.620 173.962 176.300 0.469 0.000 1.125 224 M CA -2.032 53.526 55.300 0.430 0.000 1.031 224 M CB 2.004 34.781 32.600 0.295 0.000 1.623 224 M HN 0.346 nan 8.290 nan 0.000 0.451 225 P HA 0.290 nan 4.420 nan 0.000 0.286 225 P C -1.957 175.290 177.300 -0.089 0.000 1.261 225 P CA -0.056 62.983 63.100 -0.102 0.000 0.821 225 P CB 0.591 32.025 31.700 -0.443 0.000 1.013 226 Y N 0.331 120.579 120.300 -0.086 0.000 2.361 226 Y HA 0.332 4.874 4.550 -0.013 0.000 0.337 226 Y C 0.040 175.935 175.900 -0.008 0.000 0.965 226 Y CA -0.310 57.796 58.100 0.011 0.000 1.091 226 Y CB 1.507 40.002 38.460 0.057 0.000 1.182 226 Y HN 0.212 nan 8.280 nan 0.000 0.450 227 D N 1.938 122.456 120.400 0.197 0.000 2.193 227 D HA 0.418 5.051 4.640 -0.012 0.000 0.244 227 D C -0.630 175.897 176.300 0.378 0.000 1.064 227 D CA -0.234 53.918 54.000 0.254 0.000 0.845 227 D CB 1.840 42.824 40.800 0.306 0.000 1.148 227 D HN 0.364 nan 8.370 nan 0.000 0.464 228 T N 3.136 117.813 114.554 0.204 0.000 2.824 228 T HA 0.472 4.814 4.350 -0.012 0.000 0.282 228 T C -2.519 172.014 174.700 -0.279 0.000 0.993 228 T CA -1.472 60.648 62.100 0.033 0.000 0.967 228 T CB 2.037 70.918 68.868 0.023 0.000 0.960 228 T HN 0.168 nan 8.240 nan 0.000 0.441 229 P HA 0.331 nan 4.420 nan 0.000 0.275 229 P C -1.023 175.929 177.300 -0.579 0.000 1.227 229 P CA -0.401 61.992 63.100 -1.179 0.000 0.781 229 P CB 0.841 31.610 31.700 -1.551 0.000 0.906 230 V N 5.059 124.696 119.914 -0.461 0.000 2.340 230 V HA 0.261 4.374 4.120 -0.012 0.000 0.277 230 V C -2.103 173.853 176.094 -0.231 0.000 1.017 230 V CA -1.866 60.265 62.300 -0.281 0.000 0.820 230 V CB 1.452 33.159 31.823 -0.193 0.000 1.028 230 V HN 0.551 nan 8.190 nan 0.000 0.436 231 P HA 0.269 nan 4.420 nan 0.000 0.280 231 P C 0.365 177.612 177.300 -0.089 0.000 1.244 231 P CA 0.309 63.318 63.100 -0.153 0.000 0.784 231 P CB 1.664 33.271 31.700 -0.155 0.000 0.913 232 G N 2.295 111.060 108.800 -0.058 0.000 2.599 232 G HA2 0.143 4.096 3.960 -0.012 0.000 0.264 232 G HA3 0.143 4.096 3.960 -0.012 0.000 0.264 232 G C -1.210 173.701 174.900 0.018 0.000 1.200 232 G CA -0.569 44.526 45.100 -0.008 0.000 0.896 232 G HN 0.521 nan 8.290 nan 0.000 0.536 233 Y N 0.356 120.617 120.300 -0.064 0.000 2.539 233 Y HA 0.305 4.847 4.550 -0.013 0.000 0.352 233 Y C 1.251 177.114 175.900 -0.063 0.000 1.004 233 Y CA -0.269 57.789 58.100 -0.070 0.000 1.278 233 Y CB 0.209 38.627 38.460 -0.071 0.000 1.136 233 Y HN 0.710 nan 8.280 nan 0.000 0.528 234 R N 2.822 122.968 120.500 -0.590 0.000 3.610 234 R HA -0.320 4.013 4.340 -0.012 0.000 0.274 234 R C 0.029 176.181 176.300 -0.246 0.000 1.123 234 R CA 1.532 57.330 56.100 -0.504 0.000 0.747 234 R CB -1.865 27.959 30.300 -0.794 0.000 1.149 234 R HN 0.949 nan 8.270 nan 0.000 0.471 235 N N -1.509 117.101 118.700 -0.149 0.000 2.177 235 N HA 0.072 4.805 4.740 -0.012 0.000 0.218 235 N C -0.189 175.274 175.510 -0.078 0.000 1.182 235 N CA -0.314 52.684 53.050 -0.086 0.000 0.882 235 N CB 0.543 39.006 38.487 -0.040 0.000 1.052 235 N HN 0.082 nan 8.380 nan 0.000 0.519 236 N N -0.286 118.362 118.700 -0.086 0.000 2.800 236 N HA -0.132 4.601 4.740 -0.012 0.000 0.250 236 N C -1.121 174.349 175.510 -0.068 0.000 1.078 236 N CA 0.559 53.567 53.050 -0.070 0.000 0.804 236 N CB -1.319 37.129 38.487 -0.066 0.000 1.135 236 N HN 0.204 nan 8.380 nan 0.000 0.565 237 V N 1.109 120.986 119.914 -0.062 0.000 2.427 237 V HA 0.478 4.591 4.120 -0.012 0.000 0.286 237 V C 0.435 176.497 176.094 -0.053 0.000 1.034 237 V CA -0.551 61.718 62.300 -0.052 0.000 0.893 237 V CB 2.172 33.988 31.823 -0.012 0.000 0.982 237 V HN -0.042 nan 8.190 nan 0.000 0.452 238 V N 5.534 125.421 119.914 -0.046 0.000 2.419 238 V HA 0.447 4.560 4.120 -0.012 0.000 0.287 238 V C -0.067 176.008 176.094 -0.031 0.000 1.017 238 V CA -0.841 61.405 62.300 -0.090 0.000 0.844 238 V CB 1.464 33.221 31.823 -0.110 0.000 1.011 238 V HN 0.825 nan 8.190 nan 0.000 0.429 239 N N 1.978 120.632 118.700 -0.076 0.000 2.405 239 N HA 0.576 5.308 4.740 -0.012 0.000 0.269 239 N C -0.025 175.463 175.510 -0.036 0.000 1.249 239 N CA -0.267 52.764 53.050 -0.032 0.000 0.974 239 N CB 1.247 39.684 38.487 -0.084 0.000 1.204 239 N HN 0.594 nan 8.380 nan 0.000 0.565 240 T N 0.711 115.262 114.554 -0.005 0.000 2.863 240 T HA 0.436 4.778 4.350 -0.012 0.000 0.285 240 T C -0.302 174.372 174.700 -0.043 0.000 1.009 240 T CA -0.519 61.645 62.100 0.107 0.000 0.989 240 T CB 1.142 70.206 68.868 0.328 0.000 1.004 240 T HN 0.314 nan 8.240 nan 0.000 0.455 241 M N 3.492 123.037 119.600 -0.093 0.000 2.114 241 M HA 0.510 4.983 4.480 -0.012 0.000 0.332 241 M C -0.607 175.553 176.300 -0.233 0.000 1.014 241 M CA -0.753 54.404 55.300 -0.239 0.000 0.956 241 M CB 0.837 33.247 32.600 -0.316 0.000 1.551 241 M HN 0.474 nan 8.290 nan 0.000 0.427 242 R N 4.729 124.981 120.500 -0.414 0.000 2.246 242 R HA 0.526 4.859 4.340 -0.012 0.000 0.332 242 R C -1.918 174.107 176.300 -0.458 0.000 0.974 242 R CA -0.580 55.226 56.100 -0.490 0.000 0.837 242 R CB 0.824 30.637 30.300 -0.812 0.000 1.145 242 R HN 0.638 nan 8.270 nan 0.000 0.467 243 L N 5.566 126.629 121.223 -0.266 0.000 2.296 243 L HA 0.449 4.781 4.340 -0.012 0.000 0.286 243 L C -0.958 175.886 176.870 -0.044 0.000 1.023 243 L CA -0.446 54.336 54.840 -0.096 0.000 0.812 243 L CB 1.054 43.136 42.059 0.039 0.000 1.223 243 L HN 0.605 nan 8.230 nan 0.000 0.421 244 W N 2.405 123.829 121.300 0.206 0.000 2.316 244 W HA 0.592 5.244 4.660 -0.012 0.000 0.321 244 W C 0.560 177.307 176.519 0.379 0.000 1.203 244 W CA -0.258 57.226 57.345 0.231 0.000 1.214 244 W CB 1.415 30.855 29.460 -0.033 0.000 1.169 244 W HN 0.413 nan 8.180 nan 0.000 0.561 245 S N 1.558 117.688 115.700 0.718 0.000 2.513 245 S HA 0.767 5.230 4.470 -0.012 0.000 0.299 245 S C -0.530 174.451 174.600 0.634 0.000 1.087 245 S CA -0.721 57.811 58.200 0.553 0.000 1.012 245 S CB 0.721 64.193 63.200 0.453 0.000 1.044 245 S HN 0.510 nan 8.310 nan 0.000 0.485 246 A N 4.592 127.622 122.820 0.349 0.000 2.328 246 A HA 0.658 4.971 4.320 -0.012 0.000 0.284 246 A C -0.111 177.576 177.584 0.172 0.000 1.160 246 A CA -0.286 51.853 52.037 0.170 0.000 0.818 246 A CB 0.384 19.206 19.000 -0.297 0.000 1.087 246 A HN 0.643 nan 8.150 nan 0.000 0.504 247 K N 1.044 121.563 120.400 0.199 0.000 2.422 247 K HA 0.634 4.946 4.320 -0.012 0.000 0.251 247 K C -0.632 176.040 176.600 0.119 0.000 0.933 247 K CA -0.477 55.900 56.287 0.149 0.000 0.798 247 K CB 2.331 34.931 32.500 0.167 0.000 1.238 247 K HN 0.825 nan 8.250 nan 0.000 0.428 248 A N 3.988 126.861 122.820 0.088 0.000 2.327 248 A HA 0.509 4.822 4.320 -0.012 0.000 0.283 248 A C -2.210 175.422 177.584 0.081 0.000 1.127 248 A CA -1.227 50.857 52.037 0.078 0.000 0.810 248 A CB -0.071 18.964 19.000 0.058 0.000 1.066 248 A HN 0.339 nan 8.150 nan 0.000 0.492 249 P HA 0.097 nan 4.420 nan 0.000 0.274 249 P C 0.013 177.358 177.300 0.076 0.000 1.231 249 P CA -0.381 62.769 63.100 0.084 0.000 0.790 249 P CB 0.651 32.411 31.700 0.101 0.000 0.951 250 N N 0.984 119.719 118.700 0.059 0.000 2.398 250 N HA -0.085 4.647 4.740 -0.012 0.000 0.188 250 N C 0.530 176.066 175.510 0.044 0.000 1.122 250 N CA 0.370 53.450 53.050 0.050 0.000 0.866 250 N CB -0.391 38.120 38.487 0.040 0.000 0.970 250 N HN 0.420 nan 8.380 nan 0.000 0.462 251 D N 0.721 121.146 120.400 0.041 0.000 2.237 251 D HA -0.090 4.542 4.640 -0.012 0.000 0.267 251 D C 1.581 177.897 176.300 0.027 0.000 1.226 251 D CA -0.013 53.981 54.000 -0.010 0.000 0.947 251 D CB -1.041 39.719 40.800 -0.066 0.000 0.941 251 D HN 0.061 nan 8.370 nan 0.000 0.333 252 F N 0.789 120.760 119.950 0.034 0.000 2.141 252 F HA -0.207 4.313 4.527 -0.012 0.000 0.300 252 F C 1.560 177.387 175.800 0.044 0.000 1.079 252 F CA 1.234 59.261 58.000 0.044 0.000 1.264 252 F CB -0.411 38.615 39.000 0.043 0.000 1.011 252 F HN 0.044 nan 8.300 nan 0.000 0.487 253 N N 0.670 119.505 118.700 0.226 0.000 3.115 253 N HA 0.057 4.790 4.740 -0.012 0.000 0.305 253 N C 0.595 176.162 175.510 0.095 0.000 1.305 253 N CA 0.125 53.255 53.050 0.135 0.000 1.154 253 N CB 0.034 38.578 38.487 0.095 0.000 1.454 253 N HN 0.135 nan 8.380 nan 0.000 0.551 254 L N -0.789 120.504 121.223 0.117 0.000 1.433 254 L HA -0.102 4.231 4.340 -0.012 0.000 0.146 254 L C 1.321 178.259 176.870 0.115 0.000 1.334 254 L CA 0.846 55.743 54.840 0.095 0.000 1.267 254 L CB -0.932 41.173 42.059 0.077 0.000 2.547 254 L HN 0.262 nan 8.230 nan 0.000 0.476 255 K N 0.225 120.671 120.400 0.077 0.000 2.366 255 K HA -0.028 4.285 4.320 -0.012 0.000 0.198 255 K C 0.499 177.157 176.600 0.096 0.000 1.044 255 K CA 0.978 57.263 56.287 -0.003 0.000 0.973 255 K CB -0.025 32.352 32.500 -0.204 0.000 0.767 255 K HN 0.137 nan 8.250 nan 0.000 0.475 256 D N 2.156 122.725 120.400 0.282 0.000 2.441 256 D HA -0.020 4.612 4.640 -0.012 0.000 0.243 256 D C -0.196 176.328 176.300 0.373 0.000 1.257 256 D CA -0.172 54.092 54.000 0.440 0.000 1.027 256 D CB -0.129 40.951 40.800 0.466 0.000 1.084 256 D HN 0.201 nan 8.370 nan 0.000 0.514 257 F N 1.422 121.421 119.950 0.081 0.000 2.331 257 F HA 0.308 4.827 4.527 -0.012 0.000 0.293 257 F C 0.562 176.394 175.800 0.053 0.000 1.277 257 F CA -1.884 56.150 58.000 0.057 0.000 1.204 257 F CB -0.333 38.687 39.000 0.034 0.000 1.374 257 F HN 0.353 nan 8.300 nan 0.000 0.520 258 N N -0.501 118.061 118.700 -0.231 0.000 3.251 258 N HA 0.058 4.791 4.740 -0.012 0.000 0.258 258 N C -1.643 173.799 175.510 -0.113 0.000 1.076 258 N CA 0.492 53.351 53.050 -0.318 0.000 0.671 258 N CB -0.927 37.230 38.487 -0.551 0.000 1.089 258 N HN 0.842 nan 8.380 nan 0.000 0.583 259 V N -1.531 118.367 119.914 -0.026 0.000 3.648 259 V HA -0.040 4.072 4.120 -0.012 0.000 0.521 259 V C 1.369 177.470 176.094 0.011 0.000 0.682 259 V CA 1.611 63.912 62.300 0.002 0.000 2.077 259 V CB -0.882 30.932 31.823 -0.015 0.000 2.491 259 V HN 1.033 nan 8.190 nan 0.000 0.514 260 G N 0.822 109.638 108.800 0.026 0.000 3.685 260 G HA2 0.658 4.610 3.960 -0.012 0.000 0.215 260 G HA3 0.658 4.610 3.960 -0.012 0.000 0.215 260 G C 0.943 175.862 174.900 0.032 0.000 0.987 260 G CA 1.171 46.285 45.100 0.023 0.000 0.884 260 G HN 3.046 nan 8.290 nan 0.000 0.406 261 G N -1.047 107.786 108.800 0.056 0.000 3.014 261 G HA2 0.273 4.226 3.960 -0.012 0.000 0.683 261 G HA3 0.273 4.226 3.960 -0.012 0.000 0.683 261 G C -0.086 174.869 174.900 0.092 0.000 1.271 261 G CA 0.205 45.349 45.100 0.072 0.000 0.843 261 G HN 1.458 nan 8.290 nan 0.000 0.612 262 Y N 3.325 123.641 120.300 0.027 0.000 2.200 262 Y HA 0.019 4.562 4.550 -0.012 0.000 0.290 262 Y C 2.477 178.392 175.900 0.025 0.000 1.137 262 Y CA 2.119 60.237 58.100 0.029 0.000 1.163 262 Y CB -0.001 38.474 38.460 0.025 0.000 0.988 262 Y HN 0.489 nan 8.280 nan 0.000 0.518 263 I N 0.583 121.075 120.570 -0.129 0.000 2.127 263 I HA -0.295 3.867 4.170 -0.012 0.000 0.241 263 I C 2.393 178.401 176.117 -0.180 0.000 1.075 263 I CA 1.468 62.649 61.300 -0.198 0.000 1.334 263 I CB -1.391 36.607 38.000 -0.003 0.000 1.040 263 I HN 0.342 nan 8.210 nan 0.000 0.405 264 Q N 0.612 120.360 119.800 -0.086 0.000 2.135 264 Q HA -0.154 4.179 4.340 -0.012 0.000 0.204 264 Q C 2.325 178.280 176.000 -0.075 0.000 0.981 264 Q CA 2.014 57.782 55.803 -0.059 0.000 0.856 264 Q CB -0.392 28.333 28.738 -0.021 0.000 0.902 264 Q HN 0.555 nan 8.270 nan 0.000 0.425 265 A N -0.417 122.345 122.820 -0.096 0.000 1.902 265 A HA -0.118 4.194 4.320 -0.012 0.000 0.217 265 A C 2.386 179.902 177.584 -0.113 0.000 1.181 265 A CA 1.566 53.558 52.037 -0.075 0.000 0.623 265 A CB -0.557 18.415 19.000 -0.046 0.000 0.818 265 A HN 0.232 nan 8.150 nan 0.000 0.443 266 V N 0.136 119.915 119.914 -0.225 0.000 2.358 266 V HA -0.200 3.912 4.120 -0.012 0.000 0.246 266 V C 2.478 178.508 176.094 -0.107 0.000 1.047 266 V CA 1.734 63.915 62.300 -0.198 0.000 1.035 266 V CB -0.670 30.954 31.823 -0.331 0.000 0.658 266 V HN 0.565 nan 8.190 nan 0.000 0.452 267 L N -0.299 120.865 121.223 -0.098 0.000 2.201 267 L HA -0.120 4.213 4.340 -0.012 0.000 0.212 267 L C 1.897 178.748 176.870 -0.032 0.000 1.105 267 L CA 1.099 55.907 54.840 -0.052 0.000 0.775 267 L CB -0.590 41.442 42.059 -0.044 0.000 0.913 267 L HN 0.320 nan 8.230 nan 0.000 0.440 268 D N -0.021 120.359 120.400 -0.034 0.000 2.363 268 D HA -0.053 4.580 4.640 -0.012 0.000 0.226 268 D C 2.123 178.419 176.300 -0.007 0.000 1.020 268 D CA 0.399 54.389 54.000 -0.017 0.000 0.892 268 D CB 0.076 40.867 40.800 -0.015 0.000 0.900 268 D HN 0.207 nan 8.370 nan 0.000 0.531 269 R N 0.417 120.913 120.500 -0.008 0.000 2.152 269 R HA 0.005 4.338 4.340 -0.012 0.000 0.232 269 R C 0.380 176.687 176.300 0.012 0.000 1.117 269 R CA 0.540 56.644 56.100 0.008 0.000 0.981 269 R CB -0.056 30.249 30.300 0.008 0.000 0.870 269 R HN 0.065 nan 8.270 nan 0.000 0.451 270 N N 1.084 119.789 118.700 0.008 0.000 3.050 270 N HA 0.014 4.746 4.740 -0.012 0.000 0.289 270 N C 0.037 175.552 175.510 0.008 0.000 1.209 270 N CA 0.474 53.533 53.050 0.015 0.000 1.154 270 N CB 1.111 39.609 38.487 0.019 0.000 1.444 270 N HN 0.110 nan 8.380 nan 0.000 0.529 271 L N -0.401 120.822 121.223 0.001 0.000 3.188 271 L HA 0.204 4.536 4.340 -0.012 0.000 0.327 271 L C 1.619 178.473 176.870 -0.027 0.000 1.009 271 L CA 0.457 55.292 54.840 -0.009 0.000 1.373 271 L CB -0.262 41.793 42.059 -0.008 0.000 2.331 271 L HN 0.248 nan 8.230 nan 0.000 0.594 272 A N -0.748 122.059 122.820 -0.021 0.000 2.044 272 A HA 0.093 4.406 4.320 -0.012 0.000 0.213 272 A C 1.695 179.243 177.584 -0.060 0.000 1.169 272 A CA 0.883 52.896 52.037 -0.041 0.000 0.724 272 A CB -0.121 18.883 19.000 0.007 0.000 0.840 272 A HN 0.413 nan 8.150 nan 0.000 0.463 273 E N 0.121 120.308 120.200 -0.021 0.000 2.478 273 E HA -0.023 4.320 4.350 -0.012 0.000 0.194 273 E C 0.782 177.377 176.600 -0.008 0.000 1.045 273 E CA -0.073 56.322 56.400 -0.008 0.000 0.868 273 E CB -0.028 29.692 29.700 0.033 0.000 0.885 273 E HN 0.386 nan 8.360 nan 0.000 0.505 274 N N 0.912 119.605 118.700 -0.012 0.000 2.512 274 N HA -0.029 4.703 4.740 -0.012 0.000 0.183 274 N C 1.506 177.018 175.510 0.004 0.000 1.073 274 N CA 0.487 53.548 53.050 0.017 0.000 0.911 274 N CB 0.078 38.573 38.487 0.013 0.000 0.964 274 N HN 0.245 nan 8.380 nan 0.000 0.447 275 I N 0.094 120.609 120.570 -0.092 0.000 2.286 275 I HA -0.217 3.946 4.170 -0.012 0.000 0.248 275 I C 1.320 177.405 176.117 -0.053 0.000 1.115 275 I CA 1.117 62.327 61.300 -0.149 0.000 1.392 275 I CB -0.094 37.643 38.000 -0.438 0.000 1.065 275 I HN 0.112 nan 8.210 nan 0.000 0.418 276 S N -0.515 115.155 115.700 -0.049 0.000 2.583 276 S HA 0.181 4.644 4.470 -0.012 0.000 0.239 276 S C 1.450 176.189 174.600 0.232 0.000 0.966 276 S CA -0.549 57.710 58.200 0.098 0.000 0.973 276 S CB 0.209 63.455 63.200 0.077 0.000 0.794 276 S HN 0.223 nan 8.310 nan 0.000 0.463 277 R N 1.055 121.695 120.500 0.233 0.000 2.075 277 R HA 0.292 4.624 4.340 -0.012 0.000 0.226 277 R C 0.389 176.943 176.300 0.423 0.000 1.114 277 R CA 1.077 57.358 56.100 0.301 0.000 0.972 277 R CB -0.102 30.344 30.300 0.244 0.000 0.869 277 R HN 0.389 nan 8.270 nan 0.000 0.437 278 V N 0.405 120.520 119.914 0.335 0.000 2.888 278 V HA 0.372 4.484 4.120 -0.012 0.000 0.309 278 V C -1.523 174.523 176.094 -0.079 0.000 1.114 278 V CA -1.351 61.066 62.300 0.195 0.000 0.940 278 V CB 1.808 33.677 31.823 0.077 0.000 1.021 278 V HN 0.172 nan 8.190 nan 0.000 0.426 279 L N 6.210 127.167 121.223 -0.444 0.000 2.380 279 L HA 0.502 4.834 4.340 -0.012 0.000 0.273 279 L C -0.945 175.762 176.870 -0.272 0.000 1.138 279 L CA 0.384 54.764 54.840 -0.767 0.000 0.832 279 L CB 0.714 42.241 42.059 -0.887 0.000 1.124 279 L HN 0.690 nan 8.230 nan 0.000 0.454 280 Y N 6.166 126.376 120.300 -0.150 0.000 2.496 280 Y HA 0.245 4.788 4.550 -0.013 0.000 0.334 280 Y C -1.452 174.441 175.900 -0.011 0.000 1.080 280 Y CA -1.403 56.685 58.100 -0.021 0.000 1.355 280 Y CB 0.502 38.978 38.460 0.026 0.000 1.193 280 Y HN 0.559 nan 8.280 nan 0.000 0.523 281 P HA 0.017 nan 4.420 nan 0.000 0.249 281 P C -0.912 176.517 177.300 0.214 0.000 1.593 281 P CA 0.159 63.364 63.100 0.174 0.000 0.896 281 P CB 0.001 31.890 31.700 0.315 0.000 1.581 282 N N 1.145 119.979 118.700 0.224 0.000 2.438 282 N HA 0.173 4.906 4.740 -0.012 0.000 0.282 282 N C -0.571 175.082 175.510 0.238 0.000 1.037 282 N CA 0.117 53.321 53.050 0.257 0.000 0.942 282 N CB 1.386 40.066 38.487 0.321 0.000 1.136 282 N HN 0.127 nan 8.380 nan 0.000 0.481 283 D N 1.642 122.208 120.400 0.277 0.000 2.391 283 D HA 0.154 4.787 4.640 -0.012 0.000 0.245 283 D C -0.306 176.212 176.300 0.364 0.000 1.069 283 D CA -0.215 53.949 54.000 0.274 0.000 0.831 283 D CB 0.646 41.599 40.800 0.255 0.000 1.204 283 D HN 0.368 nan 8.370 nan 0.000 0.503 284 N N 2.521 121.402 118.700 0.302 0.000 2.727 284 N HA -0.255 4.477 4.740 -0.012 0.000 0.249 284 N C -1.200 174.560 175.510 0.418 0.000 1.048 284 N CA 0.777 54.002 53.050 0.292 0.000 0.714 284 N CB -0.949 37.679 38.487 0.235 0.000 0.959 284 N HN 0.409 nan 8.380 nan 0.000 0.544 285 F N 0.492 120.550 119.950 0.179 0.000 2.604 285 F HA 0.421 4.940 4.527 -0.013 0.000 0.316 285 F C -1.249 174.636 175.800 0.142 0.000 1.136 285 F CA -1.060 57.019 58.000 0.132 0.000 0.989 285 F CB 0.955 39.991 39.000 0.060 0.000 1.258 285 F HN -0.030 nan 8.300 nan 0.000 0.451 286 F N 5.829 125.363 119.950 -0.694 0.000 2.410 286 F HA 0.508 5.027 4.527 -0.013 0.000 0.349 286 F C -0.481 174.944 175.800 -0.625 0.000 1.117 286 F CA -0.128 57.551 58.000 -0.535 0.000 1.104 286 F CB 0.779 39.492 39.000 -0.478 0.000 1.122 286 F HN 0.490 nan 8.300 nan 0.000 0.483 287 E N 3.922 123.520 120.200 -1.004 0.000 2.155 287 E HA 0.255 4.598 4.350 -0.012 0.000 0.264 287 E C -0.291 175.551 176.600 -1.263 0.000 0.886 287 E CA -0.727 55.162 56.400 -0.853 0.000 0.752 287 E CB 1.634 31.199 29.700 -0.225 0.000 1.133 287 E HN 0.932 nan 8.360 nan 0.000 0.414 288 G N 4.623 112.657 108.800 -1.276 0.000 3.343 288 G HA2 0.051 4.004 3.960 -0.012 0.000 0.264 288 G HA3 0.051 4.004 3.960 -0.012 0.000 0.264 288 G C 0.044 174.902 174.900 -0.070 0.000 0.884 288 G CA -0.229 44.345 45.100 -0.878 0.000 1.916 288 G HN 0.128 nan 8.290 nan 0.000 0.618 289 K N 0.405 120.829 120.400 0.039 0.000 2.110 289 K HA 0.222 4.534 4.320 -0.012 0.000 0.263 289 K C 0.951 177.694 176.600 0.237 0.000 0.975 289 K CA -0.816 55.561 56.287 0.150 0.000 0.895 289 K CB 2.235 34.822 32.500 0.145 0.000 1.060 289 K HN 0.423 nan 8.250 nan 0.000 0.448 290 E N 1.318 121.615 120.200 0.162 0.000 2.110 290 E HA -0.190 4.152 4.350 -0.012 0.000 0.193 290 E C 1.449 178.075 176.600 0.043 0.000 0.988 290 E CA 0.840 57.282 56.400 0.071 0.000 0.804 290 E CB 0.180 29.924 29.700 0.074 0.000 0.745 290 E HN 0.374 nan 8.360 nan 0.000 0.458 291 L N 1.318 122.616 121.223 0.125 0.000 2.083 291 L HA -0.158 4.175 4.340 -0.012 0.000 0.209 291 L C 2.346 179.329 176.870 0.188 0.000 1.083 291 L CA 1.555 56.492 54.840 0.162 0.000 0.752 291 L CB -0.522 41.702 42.059 0.276 0.000 0.899 291 L HN 0.018 nan 8.230 nan 0.000 0.433 292 R N -0.471 120.097 120.500 0.113 0.000 2.066 292 R HA -0.104 4.228 4.340 -0.012 0.000 0.232 292 R C 2.207 178.555 176.300 0.081 0.000 1.131 292 R CA 1.679 57.776 56.100 -0.004 0.000 0.955 292 R CB -1.257 28.896 30.300 -0.245 0.000 0.851 292 R HN 0.422 nan 8.270 nan 0.000 0.432 293 L N 1.321 122.483 121.223 -0.103 0.000 2.131 293 L HA -0.107 4.226 4.340 -0.012 0.000 0.210 293 L C 1.854 178.655 176.870 -0.115 0.000 1.092 293 L CA 1.859 56.431 54.840 -0.447 0.000 0.759 293 L CB -0.304 41.140 42.059 -1.025 0.000 0.903 293 L HN 0.048 nan 8.230 nan 0.000 0.435 294 K N -1.139 119.248 120.400 -0.021 0.000 2.097 294 K HA -0.140 4.172 4.320 -0.012 0.000 0.205 294 K C 2.102 178.848 176.600 0.244 0.000 1.050 294 K CA 1.477 57.819 56.287 0.092 0.000 0.938 294 K CB -0.101 32.292 32.500 -0.178 0.000 0.718 294 K HN 0.482 nan 8.250 nan 0.000 0.442 295 Q N 0.554 120.471 119.800 0.195 0.000 2.050 295 Q HA -0.191 4.141 4.340 -0.012 0.000 0.202 295 Q C 1.913 178.110 176.000 0.329 0.000 0.980 295 Q CA 1.452 57.428 55.803 0.288 0.000 0.840 295 Q CB -0.007 28.926 28.738 0.325 0.000 0.898 295 Q HN 0.367 nan 8.270 nan 0.000 0.424 296 E N -0.153 120.195 120.200 0.247 0.000 2.077 296 E HA -0.219 4.123 4.350 -0.012 0.000 0.193 296 E C 1.747 178.459 176.600 0.186 0.000 0.989 296 E CA 1.122 57.650 56.400 0.213 0.000 0.800 296 E CB -0.144 29.659 29.700 0.172 0.000 0.746 296 E HN 0.323 nan 8.360 nan 0.000 0.452 297 Y N 0.282 120.632 120.300 0.082 0.000 2.263 297 Y HA -0.200 4.343 4.550 -0.012 0.000 0.292 297 Y C 1.939 177.886 175.900 0.078 0.000 1.130 297 Y CA 1.010 59.116 58.100 0.010 0.000 1.179 297 Y CB -0.322 38.103 38.460 -0.058 0.000 0.998 297 Y HN 0.022 nan 8.280 nan 0.000 0.532 298 F N -0.290 119.667 119.950 0.011 0.000 2.065 298 F HA -0.252 4.268 4.527 -0.012 0.000 0.298 298 F C 2.494 178.155 175.800 -0.232 0.000 1.112 298 F CA 2.082 60.049 58.000 -0.055 0.000 1.212 298 F CB -1.122 37.985 39.000 0.178 0.000 0.975 298 F HN -0.070 nan 8.300 nan 0.000 0.476 299 V N -0.360 119.523 119.914 -0.050 0.000 2.407 299 V HA -0.210 3.902 4.120 -0.012 0.000 0.248 299 V C 2.175 178.118 176.094 -0.252 0.000 1.055 299 V CA 1.977 64.200 62.300 -0.129 0.000 1.049 299 V CB -0.408 31.542 31.823 0.211 0.000 0.662 299 V HN 0.280 nan 8.190 nan 0.000 0.455 300 V N 0.408 120.180 119.914 -0.236 0.000 2.307 300 V HA -0.160 3.952 4.120 -0.012 0.000 0.245 300 V C 2.821 178.653 176.094 -0.438 0.000 1.045 300 V CA 2.068 64.210 62.300 -0.263 0.000 1.024 300 V CB -1.143 30.575 31.823 -0.175 0.000 0.651 300 V HN 0.641 nan 8.190 nan 0.000 0.449 301 A N -0.035 122.360 122.820 -0.708 0.000 1.883 301 A HA -0.154 4.159 4.320 -0.012 0.000 0.217 301 A C 2.402 179.622 177.584 -0.607 0.000 1.186 301 A CA 2.323 53.931 52.037 -0.715 0.000 0.624 301 A CB -0.849 17.503 19.000 -1.080 0.000 0.822 301 A HN 0.572 nan 8.150 nan 0.000 0.444 302 A N -1.193 121.112 122.820 -0.857 0.000 1.873 302 A HA -0.051 4.262 4.320 -0.012 0.000 0.215 302 A C 2.309 179.415 177.584 -0.796 0.000 1.186 302 A CA 2.229 53.580 52.037 -1.143 0.000 0.616 302 A CB -1.319 16.347 19.000 -2.223 0.000 0.823 302 A HN 0.427 nan 8.150 nan 0.000 0.442 303 T N 0.492 114.704 114.554 -0.569 0.000 2.720 303 T HA -0.120 4.223 4.350 -0.012 0.000 0.268 303 T C 1.799 176.231 174.700 -0.448 0.000 1.037 303 T CA 1.506 63.382 62.100 -0.373 0.000 1.144 303 T CB -0.376 68.255 68.868 -0.395 0.000 0.864 303 T HN 0.334 nan 8.240 nan 0.000 0.444 304 L N 0.552 121.559 121.223 -0.360 0.000 2.093 304 L HA -0.130 4.203 4.340 -0.012 0.000 0.208 304 L C 2.898 179.652 176.870 -0.193 0.000 1.085 304 L CA 1.313 55.992 54.840 -0.268 0.000 0.755 304 L CB -0.432 41.506 42.059 -0.201 0.000 0.904 304 L HN 0.338 nan 8.230 nan 0.000 0.435 305 Q N -0.677 119.011 119.800 -0.186 0.000 2.119 305 Q HA -0.235 4.097 4.340 -0.012 0.000 0.201 305 Q C 1.711 177.679 176.000 -0.053 0.000 0.972 305 Q CA 1.573 57.316 55.803 -0.100 0.000 0.847 305 Q CB -0.083 28.588 28.738 -0.111 0.000 0.903 305 Q HN 0.390 nan 8.270 nan 0.000 0.433 306 D N 0.590 120.954 120.400 -0.060 0.000 2.117 306 D HA -0.098 4.534 4.640 -0.012 0.000 0.197 306 D C 1.651 177.897 176.300 -0.090 0.000 0.987 306 D CA 0.871 54.877 54.000 0.011 0.000 0.829 306 D CB 0.011 40.923 40.800 0.186 0.000 0.961 306 D HN 0.163 nan 8.370 nan 0.000 0.460 307 I N -0.002 120.412 120.570 -0.260 0.000 2.202 307 I HA -0.213 3.949 4.170 -0.012 0.000 0.242 307 I C 2.274 178.396 176.117 0.009 0.000 1.091 307 I CA 0.678 61.768 61.300 -0.351 0.000 1.368 307 I CB -0.089 37.542 38.000 -0.615 0.000 1.058 307 I HN 0.023 nan 8.210 nan 0.000 0.410 308 I N 0.344 120.970 120.570 0.093 0.000 2.252 308 I HA -0.289 3.873 4.170 -0.012 0.000 0.245 308 I C 2.784 179.040 176.117 0.232 0.000 1.102 308 I CA 1.138 62.603 61.300 0.275 0.000 1.385 308 I CB -0.373 37.743 38.000 0.194 0.000 1.064 308 I HN 0.195 nan 8.210 nan 0.000 0.414 309 R N 1.157 121.728 120.500 0.118 0.000 2.091 309 R HA -0.219 4.113 4.340 -0.012 0.000 0.238 309 R C 2.450 178.804 176.300 0.090 0.000 1.136 309 R CA 1.670 57.824 56.100 0.090 0.000 0.959 309 R CB -0.259 30.077 30.300 0.059 0.000 0.856 309 R HN 0.222 nan 8.270 nan 0.000 0.437 310 R N -0.617 119.939 120.500 0.093 0.000 2.096 310 R HA -0.162 4.171 4.340 -0.012 0.000 0.235 310 R C 2.174 178.565 176.300 0.151 0.000 1.127 310 R CA 1.713 57.879 56.100 0.109 0.000 0.968 310 R CB -0.369 29.990 30.300 0.098 0.000 0.861 310 R HN 0.265 nan 8.270 nan 0.000 0.440 311 F N 1.718 121.685 119.950 0.029 0.000 2.113 311 F HA -0.128 4.391 4.527 -0.013 0.000 0.297 311 F C 1.679 177.430 175.800 -0.082 0.000 1.103 311 F CA 1.518 59.497 58.000 -0.036 0.000 1.248 311 F CB -0.084 38.936 39.000 0.032 0.000 0.999 311 F HN -0.156 nan 8.300 nan 0.000 0.475 312 K N -0.012 120.285 120.400 -0.172 0.000 2.281 312 K HA -0.114 4.199 4.320 -0.012 0.000 0.203 312 K C 2.106 178.605 176.600 -0.167 0.000 1.046 312 K CA 1.310 57.438 56.287 -0.264 0.000 0.938 312 K CB -0.235 32.237 32.500 -0.046 0.000 0.737 312 K HN 0.294 nan 8.250 nan 0.000 0.458 313 S N 0.173 115.837 115.700 -0.060 0.000 2.310 313 S HA -0.037 4.426 4.470 -0.012 0.000 0.205 313 S C 1.303 175.923 174.600 0.033 0.000 1.020 313 S CA 0.230 58.451 58.200 0.035 0.000 0.939 313 S CB -0.073 63.206 63.200 0.131 0.000 0.919 313 S HN 0.261 nan 8.310 nan 0.000 0.501 314 S N 0.790 116.524 115.700 0.056 0.000 4.103 314 S HA -0.296 4.167 4.470 -0.012 0.000 0.538 314 S C 0.964 175.580 174.600 0.027 0.000 1.351 314 S CA 2.121 60.365 58.200 0.073 0.000 3.695 314 S CB -0.641 62.638 63.200 0.132 0.000 1.942 314 S HN 0.485 nan 8.310 nan 0.000 0.539 315 K N -0.501 119.962 120.400 0.105 0.000 2.483 315 K HA 0.467 4.779 4.320 -0.012 0.000 0.206 315 K C 0.930 177.418 176.600 -0.187 0.000 1.086 315 K CA 0.020 56.253 56.287 -0.090 0.000 1.052 315 K CB 0.216 32.611 32.500 -0.175 0.000 0.904 315 K HN 0.408 nan 8.250 nan 0.000 0.557 316 F N -1.231 118.594 119.950 -0.208 0.000 2.505 316 F HA 0.201 4.720 4.527 -0.013 0.000 0.289 316 F C 1.792 177.479 175.800 -0.188 0.000 1.101 316 F CA -0.057 57.805 58.000 -0.230 0.000 1.446 316 F CB 0.480 39.234 39.000 -0.410 0.000 1.123 316 F HN 0.035 nan 8.300 nan 0.000 0.564 317 G N -1.349 107.469 108.800 0.030 0.000 3.452 317 G HA2 0.202 4.155 3.960 -0.012 0.000 0.258 317 G HA3 0.202 4.155 3.960 -0.012 0.000 0.258 317 G C 0.192 175.094 174.900 0.003 0.000 1.305 317 G CA 0.280 45.380 45.100 0.001 0.000 1.514 317 G HN 0.424 nan 8.290 nan 0.000 0.593 318 C N -1.432 117.855 119.300 -0.021 0.000 3.478 318 C HA 0.358 4.810 4.460 -0.012 0.000 0.456 318 C C 1.310 176.270 174.990 -0.050 0.000 1.344 318 C CA 0.773 59.772 59.018 -0.032 0.000 2.265 318 C CB 0.506 28.216 27.740 -0.050 0.000 2.855 318 C HN 0.586 nan 8.230 nan 0.000 0.464 319 R N 0.988 121.435 120.500 -0.088 0.000 3.039 319 R HA 0.371 4.704 4.340 -0.012 0.000 0.092 319 R C -0.313 175.892 176.300 -0.159 0.000 0.608 319 R CA 0.974 57.014 56.100 -0.099 0.000 0.426 319 R CB -1.014 29.232 30.300 -0.091 0.000 0.385 319 R HN 0.273 nan 8.270 nan 0.000 0.326 320 D N -0.269 120.002 120.400 -0.215 0.000 3.455 320 D HA -0.137 4.496 4.640 -0.012 0.000 0.216 320 D C -1.602 174.601 176.300 -0.161 0.000 1.510 320 D CA 1.500 55.321 54.000 -0.299 0.000 1.128 320 D CB -1.287 39.132 40.800 -0.636 0.000 0.680 320 D HN 0.417 nan 8.370 nan 0.000 0.828 321 P HA 0.058 nan 4.420 nan 0.000 0.226 321 P C 0.352 177.641 177.300 -0.017 0.000 1.153 321 P CA 0.826 63.901 63.100 -0.040 0.000 0.777 321 P CB 0.257 31.961 31.700 0.008 0.000 0.794 322 V N -0.494 119.410 119.914 -0.017 0.000 3.559 322 V HA -0.212 3.900 4.120 -0.012 0.000 0.476 322 V C -0.262 175.849 176.094 0.027 0.000 0.682 322 V CA 1.168 63.468 62.300 0.001 0.000 1.988 322 V CB -1.268 30.549 31.823 -0.010 0.000 2.423 322 V HN 0.574 nan 8.190 nan 0.000 0.500 323 R N 2.821 123.346 120.500 0.042 0.000 7.363 323 R HA 0.022 4.354 4.340 -0.012 0.000 0.261 323 R C 0.029 176.371 176.300 0.071 0.000 0.794 323 R CA 0.489 56.623 56.100 0.057 0.000 1.826 323 R CB -0.210 30.127 30.300 0.062 0.000 1.258 323 R HN 0.799 nan 8.270 nan 0.000 0.877 324 T N 2.802 117.389 114.554 0.056 0.000 3.354 324 T HA -0.046 4.297 4.350 -0.012 0.000 0.222 324 T C 0.255 174.990 174.700 0.058 0.000 0.997 324 T CA 0.381 62.482 62.100 0.002 0.000 1.742 324 T CB -0.824 68.068 68.868 0.039 0.000 1.109 324 T HN 0.352 nan 8.240 nan 0.000 0.657 325 N N 1.274 120.022 118.700 0.081 0.000 2.420 325 N HA 0.282 5.014 4.740 -0.012 0.000 0.249 325 N C 0.170 175.765 175.510 0.141 0.000 1.033 325 N CA -0.508 52.639 53.050 0.161 0.000 0.944 325 N CB 0.400 38.995 38.487 0.181 0.000 1.113 325 N HN 0.390 nan 8.380 nan 0.000 0.502 326 F N 0.694 120.733 119.950 0.147 0.000 2.795 326 F HA 0.029 4.549 4.527 -0.013 0.000 0.303 326 F C 1.532 177.381 175.800 0.082 0.000 1.186 326 F CA 0.166 58.223 58.000 0.095 0.000 1.415 326 F CB 0.180 39.119 39.000 -0.102 0.000 1.106 326 F HN 0.563 nan 8.300 nan 0.000 0.558 327 D N 0.231 120.772 120.400 0.235 0.000 2.219 327 D HA -0.117 4.515 4.640 -0.012 0.000 0.205 327 D C 2.130 178.534 176.300 0.173 0.000 0.970 327 D CA 1.141 55.247 54.000 0.177 0.000 0.851 327 D CB 0.129 41.022 40.800 0.155 0.000 0.943 327 D HN 0.330 nan 8.370 nan 0.000 0.488 328 A N -0.118 122.839 122.820 0.229 0.000 2.275 328 A HA 0.068 4.381 4.320 -0.012 0.000 0.212 328 A C 1.613 179.244 177.584 0.078 0.000 1.201 328 A CA -0.345 51.835 52.037 0.238 0.000 0.843 328 A CB -0.600 18.705 19.000 0.508 0.000 0.873 328 A HN 0.128 nan 8.150 nan 0.000 0.492 329 F N 1.987 121.779 119.950 -0.264 0.000 2.065 329 F HA -0.142 4.378 4.527 -0.012 0.000 0.298 329 F C -0.742 174.862 175.800 -0.327 0.000 1.112 329 F CA 2.517 60.118 58.000 -0.666 0.000 1.212 329 F CB -0.449 38.245 39.000 -0.509 0.000 0.975 329 F HN 0.206 nan 8.300 nan 0.000 0.476 330 P HA -0.090 nan 4.420 nan 0.000 0.226 330 P C 0.560 177.791 177.300 -0.115 0.000 1.153 330 P CA 1.373 64.400 63.100 -0.122 0.000 0.777 330 P CB -0.074 31.607 31.700 -0.032 0.000 0.794 331 D N -0.954 119.405 120.400 -0.068 0.000 2.323 331 D HA -0.014 4.618 4.640 -0.012 0.000 0.209 331 D C 1.566 177.854 176.300 -0.020 0.000 0.973 331 D CA 0.836 54.831 54.000 -0.008 0.000 0.874 331 D CB 0.115 40.956 40.800 0.069 0.000 0.930 331 D HN 0.110 nan 8.370 nan 0.000 0.521 332 K N -0.147 120.192 120.400 -0.102 0.000 2.391 332 K HA 0.218 4.530 4.320 -0.012 0.000 0.197 332 K C -0.008 176.468 176.600 -0.207 0.000 1.087 332 K CA 0.107 56.345 56.287 -0.081 0.000 1.012 332 K CB 2.190 34.726 32.500 0.060 0.000 0.925 332 K HN -0.060 nan 8.250 nan 0.000 0.547 333 V N 0.959 120.637 119.914 -0.393 0.000 2.709 333 V HA 0.673 4.785 4.120 -0.012 0.000 0.308 333 V C -1.135 174.821 176.094 -0.231 0.000 1.062 333 V CA -1.230 60.839 62.300 -0.384 0.000 0.901 333 V CB 1.869 33.156 31.823 -0.894 0.000 1.003 333 V HN 0.119 nan 8.190 nan 0.000 0.425 334 A N 5.091 127.843 122.820 -0.113 0.000 2.381 334 A HA 0.906 5.218 4.320 -0.012 0.000 0.299 334 A C -1.062 176.520 177.584 -0.003 0.000 1.049 334 A CA -0.457 51.554 52.037 -0.044 0.000 0.715 334 A CB 1.286 20.226 19.000 -0.100 0.000 1.222 334 A HN 1.244 nan 8.150 nan 0.000 0.428 335 I N 0.735 121.358 120.570 0.087 0.000 2.418 335 I HA 0.691 4.854 4.170 -0.012 0.000 0.287 335 I C -0.634 175.569 176.117 0.143 0.000 1.008 335 I CA -0.430 60.942 61.300 0.120 0.000 1.104 335 I CB 1.843 39.903 38.000 0.101 0.000 1.264 335 I HN 0.526 nan 8.210 nan 0.000 0.438 336 Q N 6.000 125.891 119.800 0.152 0.000 2.303 336 Q HA 0.504 4.837 4.340 -0.012 0.000 0.257 336 Q C -1.581 174.447 176.000 0.046 0.000 0.941 336 Q CA -0.431 55.506 55.803 0.222 0.000 0.931 336 Q CB 1.405 30.402 28.738 0.433 0.000 1.215 336 Q HN 0.754 nan 8.270 nan 0.000 0.437 337 L N 4.340 125.620 121.223 0.095 0.000 2.261 337 L HA 0.307 4.640 4.340 -0.012 0.000 0.289 337 L C -0.185 176.722 176.870 0.061 0.000 1.059 337 L CA -0.170 54.710 54.840 0.066 0.000 0.816 337 L CB 0.443 42.589 42.059 0.146 0.000 1.191 337 L HN 0.602 nan 8.230 nan 0.000 0.431 338 N N 3.902 122.545 118.700 -0.094 0.000 2.605 338 N HA 0.136 4.868 4.740 -0.012 0.000 0.258 338 N C -0.109 175.405 175.510 0.007 0.000 1.156 338 N CA 0.546 53.575 53.050 -0.034 0.000 1.008 338 N CB -0.208 38.135 38.487 -0.240 0.000 1.354 338 N HN 0.562 nan 8.380 nan 0.000 0.509 339 D N -0.618 119.890 120.400 0.181 0.000 3.944 339 D HA -0.216 4.417 4.640 -0.012 0.000 0.273 339 D C 0.452 176.839 176.300 0.145 0.000 2.008 339 D CA 1.568 55.657 54.000 0.148 0.000 1.187 339 D CB -0.721 39.886 40.800 -0.321 0.000 0.906 339 D HN 0.443 nan 8.370 nan 0.000 1.112 340 T N -2.621 111.929 114.554 -0.008 0.000 3.107 340 T HA 0.134 4.477 4.350 -0.012 0.000 0.249 340 T C 1.640 176.384 174.700 0.073 0.000 1.096 340 T CA 1.488 63.571 62.100 -0.027 0.000 1.012 340 T CB -0.509 68.316 68.868 -0.072 0.000 0.977 340 T HN 0.517 nan 8.240 nan 0.000 0.527 341 H N 2.680 121.828 119.070 0.130 0.000 2.353 341 H HA -0.013 4.536 4.556 -0.012 0.000 0.298 341 H C -0.880 174.530 175.328 0.136 0.000 1.103 341 H CA 1.141 57.283 56.048 0.156 0.000 1.293 341 H CB -0.912 28.943 29.762 0.155 0.000 1.372 341 H HN 0.443 nan 8.280 nan 0.000 0.501 342 P HA 0.073 nan 4.420 nan 0.000 0.259 342 P C 0.763 178.102 177.300 0.065 0.000 1.530 342 P CA 0.358 63.531 63.100 0.122 0.000 1.022 342 P CB 0.336 32.095 31.700 0.099 0.000 1.514 343 S N -0.369 115.362 115.700 0.053 0.000 2.469 343 S HA -0.108 4.355 4.470 -0.012 0.000 0.238 343 S C 1.649 176.252 174.600 0.004 0.000 0.998 343 S CA 0.759 58.952 58.200 -0.010 0.000 0.957 343 S CB -1.402 61.765 63.200 -0.055 0.000 0.764 343 S HN 0.153 nan 8.310 nan 0.000 0.514 344 L N 0.799 122.042 121.223 0.033 0.000 2.551 344 L HA 0.132 4.465 4.340 -0.012 0.000 0.228 344 L C 2.852 179.765 176.870 0.072 0.000 1.153 344 L CA 0.544 55.414 54.840 0.050 0.000 0.851 344 L CB -0.631 41.463 42.059 0.058 0.000 0.959 344 L HN 0.466 nan 8.230 nan 0.000 0.451 345 A N 0.467 123.304 122.820 0.028 0.000 1.972 345 A HA -0.182 4.130 4.320 -0.012 0.000 0.219 345 A C 2.165 179.749 177.584 -0.001 0.000 1.169 345 A CA 1.438 53.475 52.037 0.001 0.000 0.635 345 A CB -0.411 18.579 19.000 -0.016 0.000 0.810 345 A HN 0.356 nan 8.150 nan 0.000 0.446 346 I N 0.288 120.860 120.570 0.003 0.000 2.133 346 I HA -0.131 4.032 4.170 -0.012 0.000 0.238 346 I C -0.371 175.763 176.117 0.028 0.000 1.074 346 I CA 1.524 62.823 61.300 -0.001 0.000 1.342 346 I CB -0.820 37.184 38.000 0.007 0.000 1.053 346 I HN 0.236 nan 8.210 nan 0.000 0.404 347 P HA -0.166 nan 4.420 nan 0.000 0.223 347 P C 1.233 178.527 177.300 -0.009 0.000 1.151 347 P CA 1.449 64.573 63.100 0.041 0.000 0.787 347 P CB 0.039 31.786 31.700 0.079 0.000 0.788 348 E N 0.147 120.410 120.200 0.105 0.000 2.107 348 E HA -0.124 4.218 4.350 -0.012 0.000 0.191 348 E C 1.880 178.451 176.600 -0.049 0.000 0.982 348 E CA 0.509 56.980 56.400 0.117 0.000 0.809 348 E CB -1.096 28.753 29.700 0.249 0.000 0.756 348 E HN -0.016 nan 8.360 nan 0.000 0.459 349 L N 0.026 121.198 121.223 -0.084 0.000 2.093 349 L HA -0.030 4.303 4.340 -0.012 0.000 0.208 349 L C 1.963 178.689 176.870 -0.240 0.000 1.085 349 L CA 1.641 56.380 54.840 -0.169 0.000 0.755 349 L CB -0.516 41.453 42.059 -0.149 0.000 0.904 349 L HN 0.240 nan 8.230 nan 0.000 0.435 350 M N -0.815 118.654 119.600 -0.217 0.000 2.132 350 M HA -0.173 4.299 4.480 -0.012 0.000 0.263 350 M C 2.406 178.531 176.300 -0.293 0.000 1.065 350 M CA 1.430 56.545 55.300 -0.307 0.000 1.122 350 M CB -1.113 31.286 32.600 -0.335 0.000 1.365 350 M HN 0.310 nan 8.290 nan 0.000 0.411 351 R N -0.001 120.349 120.500 -0.250 0.000 2.080 351 R HA -0.148 4.185 4.340 -0.012 0.000 0.236 351 R C 2.095 178.283 176.300 -0.187 0.000 1.137 351 R CA 1.836 57.794 56.100 -0.237 0.000 0.943 351 R CB -0.280 29.824 30.300 -0.326 0.000 0.846 351 R HN 0.186 nan 8.270 nan 0.000 0.431 352 V N 1.432 121.236 119.914 -0.184 0.000 2.261 352 V HA -0.268 3.844 4.120 -0.012 0.000 0.246 352 V C 2.454 178.387 176.094 -0.267 0.000 1.047 352 V CA 1.881 64.070 62.300 -0.185 0.000 1.015 352 V CB -0.439 31.271 31.823 -0.188 0.000 0.642 352 V HN 0.360 nan 8.190 nan 0.000 0.446 353 L N -0.664 120.336 121.223 -0.371 0.000 2.042 353 L HA -0.171 4.162 4.340 -0.012 0.000 0.210 353 L C 2.377 179.060 176.870 -0.312 0.000 1.076 353 L CA 1.283 55.839 54.840 -0.473 0.000 0.749 353 L CB -0.581 41.158 42.059 -0.532 0.000 0.893 353 L HN 0.217 nan 8.230 nan 0.000 0.432 354 V N -0.738 119.033 119.914 -0.239 0.000 2.300 354 V HA -0.176 3.936 4.120 -0.012 0.000 0.241 354 V C 2.008 178.055 176.094 -0.078 0.000 1.034 354 V CA 1.608 63.828 62.300 -0.134 0.000 1.021 354 V CB -0.298 31.466 31.823 -0.099 0.000 0.662 354 V HN 0.338 nan 8.190 nan 0.000 0.458 355 D N 0.122 120.472 120.400 -0.085 0.000 2.097 355 D HA -0.060 4.573 4.640 -0.012 0.000 0.197 355 D C 2.092 178.362 176.300 -0.050 0.000 0.984 355 D CA 1.326 55.294 54.000 -0.053 0.000 0.826 355 D CB -0.076 40.688 40.800 -0.060 0.000 0.973 355 D HN 0.301 nan 8.370 nan 0.000 0.460 356 L N 0.382 121.560 121.223 -0.074 0.000 2.130 356 L HA 0.052 4.384 4.340 -0.012 0.000 0.200 356 L C 2.032 178.867 176.870 -0.058 0.000 1.075 356 L CA 0.655 55.460 54.840 -0.057 0.000 0.768 356 L CB -0.292 41.733 42.059 -0.058 0.000 0.933 356 L HN -0.140 nan 8.230 nan 0.000 0.451 357 E N 0.701 120.831 120.200 -0.116 0.000 2.427 357 E HA -0.031 4.311 4.350 -0.012 0.000 0.196 357 E C 0.182 176.742 176.600 -0.066 0.000 1.028 357 E CA 0.043 56.382 56.400 -0.102 0.000 0.864 357 E CB 0.131 29.662 29.700 -0.281 0.000 0.813 357 E HN 0.273 nan 8.360 nan 0.000 0.514 358 R N -0.199 120.258 120.500 -0.073 0.000 3.532 358 R HA -0.190 4.143 4.340 -0.012 0.000 0.284 358 R C -0.447 175.836 176.300 -0.028 0.000 1.140 358 R CA 0.230 56.310 56.100 -0.032 0.000 0.768 358 R CB -2.539 27.761 30.300 0.000 0.000 1.252 358 R HN 0.057 nan 8.270 nan 0.000 0.454 359 L N 2.041 123.218 121.223 -0.076 0.000 2.418 359 L HA 0.151 4.483 4.340 -0.012 0.000 0.265 359 L C 1.313 178.177 176.870 -0.011 0.000 1.143 359 L CA 0.195 55.002 54.840 -0.055 0.000 0.809 359 L CB 0.444 42.421 42.059 -0.137 0.000 1.124 359 L HN 0.124 nan 8.230 nan 0.000 0.456 360 D N 0.783 121.202 120.400 0.032 0.000 2.362 360 D HA -0.132 4.500 4.640 -0.012 0.000 0.242 360 D C 0.988 177.357 176.300 0.115 0.000 1.132 360 D CA -0.508 53.546 54.000 0.089 0.000 0.907 360 D CB 0.686 41.544 40.800 0.097 0.000 1.195 360 D HN 0.602 nan 8.370 nan 0.000 0.429 361 W N 2.125 123.429 121.300 0.008 0.000 2.298 361 W HA -0.257 4.396 4.660 -0.012 0.000 0.328 361 W C 1.213 177.780 176.519 0.080 0.000 1.259 361 W CA 2.064 59.421 57.345 0.020 0.000 1.251 361 W CB -0.337 29.114 29.460 -0.014 0.000 1.161 361 W HN 0.497 nan 8.180 nan 0.000 0.466 362 D N 0.065 120.673 120.400 0.347 0.000 2.158 362 D HA -0.209 4.423 4.640 -0.012 0.000 0.197 362 D C 2.035 178.438 176.300 0.171 0.000 0.995 362 D CA 1.371 55.543 54.000 0.287 0.000 0.846 362 D CB -0.389 40.557 40.800 0.244 0.000 0.941 362 D HN 0.130 nan 8.370 nan 0.000 0.456 363 K N 0.955 121.414 120.400 0.098 0.000 2.103 363 K HA 0.008 4.320 4.320 -0.012 0.000 0.204 363 K C 1.988 178.582 176.600 -0.011 0.000 1.052 363 K CA 0.745 57.064 56.287 0.052 0.000 0.945 363 K CB -0.150 32.377 32.500 0.045 0.000 0.722 363 K HN 0.016 nan 8.250 nan 0.000 0.443 364 A N 0.729 123.502 122.820 -0.077 0.000 1.902 364 A HA -0.182 4.131 4.320 -0.012 0.000 0.217 364 A C 2.098 179.589 177.584 -0.155 0.000 1.181 364 A CA 1.184 53.104 52.037 -0.194 0.000 0.623 364 A CB -1.004 17.810 19.000 -0.310 0.000 0.818 364 A HN 0.632 nan 8.150 nan 0.000 0.443 365 W N 0.654 121.751 121.300 -0.339 0.000 2.388 365 W HA -0.141 4.512 4.660 -0.012 0.000 0.294 365 W C 1.951 178.415 176.519 -0.092 0.000 1.212 365 W CA 1.700 58.895 57.345 -0.250 0.000 1.271 365 W CB -0.021 29.339 29.460 -0.167 0.000 1.126 365 W HN 0.599 nan 8.180 nan 0.000 0.535 366 E N 0.109 120.296 120.200 -0.022 0.000 2.072 366 E HA -0.199 4.144 4.350 -0.012 0.000 0.191 366 E C 2.039 178.562 176.600 -0.129 0.000 0.985 366 E CA 1.594 57.947 56.400 -0.079 0.000 0.801 366 E CB -0.224 29.491 29.700 0.025 0.000 0.750 366 E HN 0.062 nan 8.360 nan 0.000 0.452 367 V N 0.751 120.605 119.914 -0.100 0.000 2.261 367 V HA -0.250 3.862 4.120 -0.012 0.000 0.246 367 V C 2.421 178.454 176.094 -0.103 0.000 1.047 367 V CA 2.175 64.436 62.300 -0.065 0.000 1.015 367 V CB -0.831 30.949 31.823 -0.071 0.000 0.642 367 V HN 0.358 nan 8.190 nan 0.000 0.446 368 T N 0.163 114.589 114.554 -0.214 0.000 2.635 368 T HA -0.203 4.139 4.350 -0.012 0.000 0.267 368 T C 1.933 176.457 174.700 -0.293 0.000 1.040 368 T CA 1.886 63.834 62.100 -0.253 0.000 1.156 368 T CB -0.336 68.325 68.868 -0.346 0.000 0.863 368 T HN 0.268 nan 8.240 nan 0.000 0.430 369 V N 1.111 120.729 119.914 -0.494 0.000 2.407 369 V HA -0.145 3.967 4.120 -0.012 0.000 0.248 369 V C 2.379 178.417 176.094 -0.093 0.000 1.055 369 V CA 1.579 63.644 62.300 -0.392 0.000 1.049 369 V CB -0.460 31.046 31.823 -0.528 0.000 0.662 369 V HN 0.436 nan 8.190 nan 0.000 0.455 370 K N -0.301 120.034 120.400 -0.109 0.000 2.288 370 K HA -0.099 4.214 4.320 -0.012 0.000 0.201 370 K C 2.175 178.757 176.600 -0.031 0.000 1.048 370 K CA 1.528 57.751 56.287 -0.107 0.000 0.956 370 K CB -0.116 32.316 32.500 -0.114 0.000 0.746 370 K HN 0.627 nan 8.250 nan 0.000 0.461 371 T N -1.869 112.716 114.554 0.051 0.000 3.014 371 T HA 0.089 4.431 4.350 -0.012 0.000 0.250 371 T C 0.631 175.430 174.700 0.166 0.000 1.060 371 T CA -0.282 61.874 62.100 0.094 0.000 1.040 371 T CB -0.023 68.890 68.868 0.076 0.000 0.971 371 T HN 0.008 nan 8.240 nan 0.000 0.497 372 C N 2.633 122.017 119.300 0.140 0.000 2.401 372 C HA 0.911 5.364 4.460 -0.012 0.000 0.365 372 C C 0.551 175.587 174.990 0.076 0.000 1.250 372 C CA -0.776 58.300 59.018 0.098 0.000 2.131 372 C CB 0.152 27.892 27.740 0.000 0.000 2.445 372 C HN 0.741 nan 8.230 nan 0.000 0.550 373 A N 2.491 125.352 122.820 0.067 0.000 2.455 373 A HA 0.716 5.028 4.320 -0.012 0.000 0.300 373 A C -1.496 176.158 177.584 0.117 0.000 1.040 373 A CA -0.402 51.625 52.037 -0.017 0.000 0.697 373 A CB 0.930 19.935 19.000 0.009 0.000 1.265 373 A HN 0.928 nan 8.150 nan 0.000 0.407 374 Y N 1.425 121.673 120.300 -0.086 0.000 2.364 374 Y HA 0.660 5.202 4.550 -0.012 0.000 0.340 374 Y C -0.418 175.465 175.900 -0.028 0.000 0.975 374 Y CA -0.305 57.760 58.100 -0.059 0.000 1.089 374 Y CB 1.995 40.376 38.460 -0.132 0.000 1.192 374 Y HN 0.571 nan 8.280 nan 0.000 0.454 375 T N 6.459 120.794 114.554 -0.365 0.000 2.779 375 T HA 0.196 4.539 4.350 -0.012 0.000 0.280 375 T C -0.889 173.344 174.700 -0.779 0.000 0.987 375 T CA -0.851 60.969 62.100 -0.467 0.000 0.966 375 T CB 0.574 69.413 68.868 -0.047 0.000 0.933 375 T HN 0.647 nan 8.240 nan 0.000 0.442 376 N N 1.658 119.916 118.700 -0.737 0.000 2.456 376 N HA 0.139 4.872 4.740 -0.012 0.000 0.288 376 N C -0.070 175.292 175.510 -0.246 0.000 1.059 376 N CA -0.338 52.509 53.050 -0.338 0.000 0.946 376 N CB 0.776 39.247 38.487 -0.026 0.000 1.150 376 N HN 0.676 nan 8.380 nan 0.000 0.479 377 H N 1.159 120.243 119.070 0.023 0.000 2.784 377 H HA 0.176 4.725 4.556 -0.013 0.000 0.273 377 H C -0.244 174.997 175.328 -0.146 0.000 1.112 377 H CA -0.045 55.960 56.048 -0.071 0.000 1.162 377 H CB 1.076 30.813 29.762 -0.041 0.000 1.586 377 H HN 0.537 nan 8.280 nan 0.000 0.548 378 T N 0.105 114.672 114.554 0.022 0.000 2.907 378 T HA 0.207 4.549 4.350 -0.012 0.000 0.344 378 T C 0.315 175.040 174.700 0.042 0.000 1.675 378 T CA -0.321 61.757 62.100 -0.038 0.000 1.076 378 T CB 1.112 69.963 68.868 -0.028 0.000 1.483 378 T HN -0.046 nan 8.240 nan 0.000 0.487 379 V N 1.716 121.619 119.914 -0.018 0.000 3.556 379 V HA 0.503 4.616 4.120 -0.012 0.000 0.287 379 V C 0.968 177.031 176.094 -0.052 0.000 1.422 379 V CA -0.001 62.281 62.300 -0.030 0.000 1.038 379 V CB -0.611 31.195 31.823 -0.028 0.000 0.850 379 V HN 0.819 nan 8.190 nan 0.000 0.437 380 I N 0.044 120.574 120.570 -0.066 0.000 2.618 380 I HA 0.279 4.442 4.170 -0.012 0.000 0.284 380 I C -0.693 175.426 176.117 0.003 0.000 1.146 380 I CA -1.577 59.709 61.300 -0.022 0.000 1.425 380 I CB 0.435 38.422 38.000 -0.022 0.000 1.383 380 I HN -0.024 nan 8.210 nan 0.000 0.562 381 P HA -0.247 nan 4.420 nan 0.000 0.216 381 P C 1.107 178.403 177.300 -0.006 0.000 1.153 381 P CA 1.612 64.712 63.100 0.000 0.000 0.858 381 P CB -0.103 31.602 31.700 0.009 0.000 0.789 382 E N 0.220 120.438 120.200 0.031 0.000 2.478 382 E HA -0.039 4.303 4.350 -0.012 0.000 0.198 382 E C 1.561 178.109 176.600 -0.087 0.000 1.046 382 E CA 1.009 57.398 56.400 -0.018 0.000 0.870 382 E CB -0.654 29.120 29.700 0.124 0.000 0.818 382 E HN 0.215 nan 8.360 nan 0.000 0.527 383 A N 0.993 123.815 122.820 0.002 0.000 2.220 383 A HA 0.205 4.517 4.320 -0.012 0.000 0.211 383 A C 1.130 178.700 177.584 -0.024 0.000 1.176 383 A CA -0.304 51.752 52.037 0.032 0.000 0.834 383 A CB 0.143 19.188 19.000 0.075 0.000 0.868 383 A HN 0.142 nan 8.150 nan 0.000 0.488 384 L N 1.799 122.967 121.223 -0.090 0.000 2.410 384 L HA 0.147 4.479 4.340 -0.012 0.000 0.273 384 L C -0.041 176.510 176.870 -0.533 0.000 1.152 384 L CA 0.433 55.158 54.840 -0.191 0.000 0.855 384 L CB 0.405 42.386 42.059 -0.129 0.000 1.129 384 L HN 0.398 nan 8.230 nan 0.000 0.463 385 E N 4.904 124.679 120.200 -0.709 0.000 2.180 385 E HA 0.188 4.531 4.350 -0.012 0.000 0.283 385 E C -0.459 175.531 176.600 -1.017 0.000 1.061 385 E CA -0.162 55.368 56.400 -1.448 0.000 0.861 385 E CB 0.687 29.884 29.700 -0.838 0.000 1.056 385 E HN 0.362 nan 8.360 nan 0.000 0.407 386 R N 3.810 123.618 120.500 -1.153 0.000 2.472 386 R HA 0.195 4.528 4.340 -0.012 0.000 0.294 386 R C -1.239 174.903 176.300 -0.263 0.000 1.243 386 R CA -0.557 55.275 56.100 -0.447 0.000 1.023 386 R CB 0.889 31.052 30.300 -0.228 0.000 1.157 386 R HN 0.433 nan 8.270 nan 0.000 0.530 387 W N 4.620 125.878 121.300 -0.069 0.000 2.322 387 W HA 0.275 4.927 4.660 -0.013 0.000 0.307 387 W C -1.904 174.595 176.519 -0.033 0.000 1.220 387 W CA -2.135 55.226 57.345 0.027 0.000 1.210 387 W CB 0.793 30.243 29.460 -0.016 0.000 1.223 387 W HN 0.257 nan 8.180 nan 0.000 0.511 388 P HA -0.086 nan 4.420 nan 0.000 0.265 388 P C 0.779 178.028 177.300 -0.086 0.000 1.193 388 P CA 0.177 63.277 63.100 0.000 0.000 0.765 388 P CB 0.791 32.379 31.700 -0.187 0.000 0.823 389 V N 3.181 123.100 119.914 0.008 0.000 2.392 389 V HA -0.285 3.828 4.120 -0.012 0.000 0.249 389 V C 2.130 178.228 176.094 0.008 0.000 1.059 389 V CA 2.532 64.847 62.300 0.026 0.000 1.051 389 V CB -1.768 30.133 31.823 0.130 0.000 0.658 389 V HN 0.764 nan 8.190 nan 0.000 0.455 390 H N -1.151 117.973 119.070 0.090 0.000 2.456 390 H HA -0.101 4.447 4.556 -0.012 0.000 0.296 390 H C 2.027 177.398 175.328 0.071 0.000 1.079 390 H CA 1.657 57.753 56.048 0.079 0.000 1.322 390 H CB -0.482 29.328 29.762 0.080 0.000 1.388 390 H HN 0.373 nan 8.280 nan 0.000 0.538 391 L N -0.070 120.961 121.223 -0.319 0.000 2.023 391 L HA -0.060 4.272 4.340 -0.012 0.000 0.205 391 L C 2.401 179.203 176.870 -0.113 0.000 1.073 391 L CA 0.884 55.637 54.840 -0.145 0.000 0.745 391 L CB -0.234 41.730 42.059 -0.158 0.000 0.900 391 L HN 0.315 nan 8.230 nan 0.000 0.435 392 L N -0.403 120.729 121.223 -0.150 0.000 2.079 392 L HA -0.272 4.061 4.340 -0.012 0.000 0.210 392 L C 2.537 179.327 176.870 -0.134 0.000 1.081 392 L CA 1.330 56.057 54.840 -0.188 0.000 0.752 392 L CB -0.439 41.506 42.059 -0.191 0.000 0.896 392 L HN 0.365 nan 8.230 nan 0.000 0.433 393 E N -0.535 119.629 120.200 -0.059 0.000 2.085 393 E HA -0.228 4.115 4.350 -0.012 0.000 0.194 393 E C 1.933 178.555 176.600 0.037 0.000 0.994 393 E CA 1.942 58.342 56.400 0.000 0.000 0.801 393 E CB 0.122 29.864 29.700 0.070 0.000 0.743 393 E HN 0.421 nan 8.360 nan 0.000 0.453 394 T N 0.721 115.318 114.554 0.071 0.000 2.809 394 T HA -0.073 4.269 4.350 -0.012 0.000 0.260 394 T C 1.696 176.486 174.700 0.151 0.000 1.039 394 T CA 0.675 62.866 62.100 0.153 0.000 1.141 394 T CB -0.111 68.881 68.868 0.208 0.000 0.869 394 T HN 0.059 nan 8.240 nan 0.000 0.437 395 L N 0.158 121.365 121.223 -0.026 0.000 2.095 395 L HA 0.329 4.662 4.340 -0.012 0.000 0.204 395 L C 0.397 177.170 176.870 -0.162 0.000 1.080 395 L CA 1.617 56.310 54.840 -0.245 0.000 0.759 395 L CB -0.025 41.857 42.059 -0.296 0.000 0.914 395 L HN 0.179 nan 8.230 nan 0.000 0.439 396 L N 0.655 121.747 121.223 -0.218 0.000 2.594 396 L HA 0.288 4.621 4.340 -0.012 0.000 0.245 396 L C -1.639 175.030 176.870 -0.335 0.000 1.460 396 L CA -1.043 53.577 54.840 -0.368 0.000 0.865 396 L CB 0.858 42.520 42.059 -0.660 0.000 1.131 396 L HN -0.059 nan 8.230 nan 0.000 0.506 397 P HA -0.235 nan 4.420 nan 0.000 0.216 397 P C 1.509 178.612 177.300 -0.329 0.000 1.153 397 P CA 1.354 64.325 63.100 -0.216 0.000 0.858 397 P CB 0.350 32.000 31.700 -0.082 0.000 0.789 398 R N -0.525 119.600 120.500 -0.626 0.000 2.092 398 R HA -0.150 4.183 4.340 -0.012 0.000 0.231 398 R C 2.374 178.394 176.300 -0.467 0.000 1.119 398 R CA 1.549 57.303 56.100 -0.576 0.000 0.970 398 R CB -1.345 28.450 30.300 -0.841 0.000 0.864 398 R HN 0.220 nan 8.270 nan 0.000 0.440 399 H N -0.203 118.546 119.070 -0.535 0.000 2.387 399 H HA -0.070 4.479 4.556 -0.012 0.000 0.299 399 H C 1.773 176.925 175.328 -0.294 0.000 1.090 399 H CA 1.668 57.491 56.048 -0.374 0.000 1.332 399 H CB -0.073 29.435 29.762 -0.423 0.000 1.386 399 H HN 0.110 nan 8.280 nan 0.000 0.516 400 L N 0.437 121.533 121.223 -0.212 0.000 2.046 400 L HA -0.231 4.102 4.340 -0.012 0.000 0.208 400 L C 1.818 178.486 176.870 -0.336 0.000 1.077 400 L CA 1.586 56.228 54.840 -0.330 0.000 0.747 400 L CB -0.292 41.587 42.059 -0.300 0.000 0.896 400 L HN 0.438 nan 8.230 nan 0.000 0.432 401 Q N -0.368 119.345 119.800 -0.144 0.000 2.124 401 Q HA -0.213 4.119 4.340 -0.012 0.000 0.202 401 Q C 2.178 178.194 176.000 0.027 0.000 0.977 401 Q CA 1.510 57.320 55.803 0.011 0.000 0.850 401 Q CB -0.010 28.741 28.738 0.022 0.000 0.901 401 Q HN 0.551 nan 8.270 nan 0.000 0.429 402 I N 0.289 120.852 120.570 -0.011 0.000 2.315 402 I HA -0.260 3.903 4.170 -0.012 0.000 0.248 402 I C 2.084 178.271 176.117 0.117 0.000 1.117 402 I CA 0.957 62.332 61.300 0.124 0.000 1.404 402 I CB -0.101 37.916 38.000 0.029 0.000 1.071 402 I HN 0.200 nan 8.210 nan 0.000 0.419 403 I N -0.432 120.127 120.570 -0.018 0.000 2.286 403 I HA -0.316 3.846 4.170 -0.012 0.000 0.248 403 I C 2.368 178.507 176.117 0.037 0.000 1.115 403 I CA 1.415 62.696 61.300 -0.031 0.000 1.392 403 I CB -0.360 37.549 38.000 -0.151 0.000 1.065 403 I HN 0.174 nan 8.210 nan 0.000 0.418 404 Y N 0.853 121.159 120.300 0.010 0.000 2.242 404 Y HA -0.252 4.290 4.550 -0.012 0.000 0.291 404 Y C 2.587 178.455 175.900 -0.054 0.000 1.137 404 Y CA 1.503 59.596 58.100 -0.012 0.000 1.181 404 Y CB -0.729 37.716 38.460 -0.025 0.000 0.989 404 Y HN 0.230 nan 8.280 nan 0.000 0.527 405 E N 0.375 120.620 120.200 0.074 0.000 2.072 405 E HA -0.128 4.215 4.350 -0.012 0.000 0.190 405 E C 2.011 178.527 176.600 -0.141 0.000 0.982 405 E CA 1.224 57.529 56.400 -0.159 0.000 0.803 405 E CB -0.570 28.887 29.700 -0.404 0.000 0.755 405 E HN 0.464 nan 8.360 nan 0.000 0.453 406 I N 0.772 121.358 120.570 0.027 0.000 2.179 406 I HA -0.265 3.897 4.170 -0.012 0.000 0.242 406 I C 2.290 178.409 176.117 0.003 0.000 1.088 406 I CA 1.408 62.677 61.300 -0.052 0.000 1.357 406 I CB -0.376 37.605 38.000 -0.033 0.000 1.051 406 I HN 0.223 nan 8.210 nan 0.000 0.409 407 N N 0.637 119.393 118.700 0.092 0.000 2.120 407 N HA -0.261 4.471 4.740 -0.012 0.000 0.188 407 N C 1.872 177.470 175.510 0.146 0.000 1.024 407 N CA 1.571 54.731 53.050 0.183 0.000 0.852 407 N CB -0.107 38.505 38.487 0.209 0.000 1.003 407 N HN 0.283 nan 8.380 nan 0.000 0.424 408 Q N -0.217 119.612 119.800 0.048 0.000 2.061 408 Q HA -0.103 4.230 4.340 -0.012 0.000 0.204 408 Q C 1.994 177.974 176.000 -0.033 0.000 0.984 408 Q CA 1.547 57.339 55.803 -0.018 0.000 0.846 408 Q CB 0.029 28.713 28.738 -0.090 0.000 0.902 408 Q HN 0.422 nan 8.270 nan 0.000 0.421 409 R N -0.859 119.602 120.500 -0.066 0.000 2.115 409 R HA -0.104 4.228 4.340 -0.012 0.000 0.226 409 R C 2.115 178.441 176.300 0.044 0.000 1.100 409 R CA 1.012 57.074 56.100 -0.064 0.000 0.980 409 R CB -0.311 29.898 30.300 -0.153 0.000 0.875 409 R HN 0.257 nan 8.270 nan 0.000 0.445 410 F N 1.768 121.697 119.950 -0.036 0.000 2.084 410 F HA -0.059 4.460 4.527 -0.012 0.000 0.296 410 F C 1.911 177.739 175.800 0.045 0.000 1.111 410 F CA 1.203 59.231 58.000 0.046 0.000 1.224 410 F CB -0.306 38.754 39.000 0.099 0.000 0.991 410 F HN -0.149 nan 8.300 nan 0.000 0.471 411 L N 0.212 121.407 121.223 -0.047 0.000 2.127 411 L HA -0.268 4.065 4.340 -0.012 0.000 0.211 411 L C 1.989 178.769 176.870 -0.150 0.000 1.089 411 L CA 1.717 56.466 54.840 -0.152 0.000 0.757 411 L CB -0.902 41.152 42.059 -0.010 0.000 0.899 411 L HN 0.290 nan 8.230 nan 0.000 0.434 412 N N -0.417 118.225 118.700 -0.097 0.000 2.244 412 N HA -0.167 4.565 4.740 -0.012 0.000 0.183 412 N C 1.937 177.388 175.510 -0.097 0.000 1.016 412 N CA 0.630 53.632 53.050 -0.081 0.000 0.866 412 N CB 0.024 38.474 38.487 -0.061 0.000 0.980 412 N HN 0.238 nan 8.380 nan 0.000 0.430 413 R N 0.593 121.017 120.500 -0.127 0.000 2.066 413 R HA -0.052 4.280 4.340 -0.012 0.000 0.232 413 R C 2.147 178.346 176.300 -0.167 0.000 1.131 413 R CA 0.864 56.892 56.100 -0.120 0.000 0.955 413 R CB -0.239 30.006 30.300 -0.091 0.000 0.851 413 R HN 0.036 nan 8.270 nan 0.000 0.432 414 V N 0.748 120.501 119.914 -0.268 0.000 2.255 414 V HA -0.279 3.833 4.120 -0.012 0.000 0.247 414 V C 2.379 178.465 176.094 -0.014 0.000 1.051 414 V CA 2.052 64.265 62.300 -0.145 0.000 1.018 414 V CB -0.847 30.814 31.823 -0.269 0.000 0.641 414 V HN 0.476 nan 8.190 nan 0.000 0.445 415 A N 0.067 122.852 122.820 -0.058 0.000 1.917 415 A HA -0.201 4.111 4.320 -0.012 0.000 0.219 415 A C 2.396 179.955 177.584 -0.041 0.000 1.182 415 A CA 2.419 54.440 52.037 -0.026 0.000 0.633 415 A CB -0.866 18.109 19.000 -0.042 0.000 0.819 415 A HN 0.630 nan 8.150 nan 0.000 0.448 416 A N -0.702 122.074 122.820 -0.074 0.000 1.969 416 A HA 0.242 4.555 4.320 -0.012 0.000 0.218 416 A C 2.376 179.870 177.584 -0.149 0.000 1.169 416 A CA 1.901 53.884 52.037 -0.090 0.000 0.635 416 A CB -0.681 18.271 19.000 -0.080 0.000 0.810 416 A HN 1.020 nan 8.150 nan 0.000 0.445 417 A N -1.543 121.141 122.820 -0.227 0.000 1.935 417 A HA 0.389 4.702 4.320 -0.012 0.000 0.214 417 A C 0.461 177.613 177.584 -0.720 0.000 1.178 417 A CA 0.473 52.204 52.037 -0.510 0.000 0.640 417 A CB -0.110 18.485 19.000 -0.676 0.000 0.825 417 A HN 0.418 nan 8.150 nan 0.000 0.447 418 F N 0.246 120.147 119.950 -0.082 0.000 2.531 418 F HA 0.353 4.873 4.527 -0.013 0.000 0.333 418 F C -2.750 173.011 175.800 -0.065 0.000 1.292 418 F CA -2.909 55.047 58.000 -0.073 0.000 1.184 418 F CB 0.724 39.672 39.000 -0.087 0.000 1.426 418 F HN -0.065 nan 8.300 nan 0.000 0.559 419 P HA 0.153 nan 4.420 nan 0.000 0.261 419 P C 1.034 178.353 177.300 0.031 0.000 1.183 419 P CA 1.143 64.254 63.100 0.018 0.000 0.761 419 P CB 0.771 32.464 31.700 -0.011 0.000 0.785 420 G N 2.914 111.725 108.800 0.018 0.000 2.253 420 G HA2 -0.250 3.702 3.960 -0.012 0.000 0.251 420 G HA3 -0.250 3.702 3.960 -0.012 0.000 0.251 420 G C 0.391 175.298 174.900 0.011 0.000 0.998 420 G CA -0.018 45.089 45.100 0.011 0.000 0.621 420 G HN 0.578 nan 8.290 nan 0.000 0.524 421 D N 1.145 121.561 120.400 0.027 0.000 2.541 421 D HA 0.371 5.004 4.640 -0.012 0.000 0.231 421 D C 1.568 177.855 176.300 -0.022 0.000 1.163 421 D CA 0.501 54.500 54.000 -0.001 0.000 1.077 421 D CB 0.611 41.408 40.800 -0.006 0.000 1.110 421 D HN 0.149 nan 8.370 nan 0.000 0.499 422 V N 2.805 122.708 119.914 -0.019 0.000 2.626 422 V HA -0.184 3.928 4.120 -0.012 0.000 0.252 422 V C 1.644 177.723 176.094 -0.025 0.000 1.067 422 V CA 1.721 64.010 62.300 -0.019 0.000 1.081 422 V CB 0.052 31.868 31.823 -0.012 0.000 0.686 422 V HN 0.372 nan 8.190 nan 0.000 0.468 423 D N -0.418 119.963 120.400 -0.032 0.000 2.194 423 D HA -0.151 4.482 4.640 -0.012 0.000 0.204 423 D C 2.306 178.575 176.300 -0.051 0.000 0.964 423 D CA 0.974 54.956 54.000 -0.031 0.000 0.846 423 D CB -0.151 40.631 40.800 -0.030 0.000 0.962 423 D HN 0.394 nan 8.370 nan 0.000 0.490 424 R N -0.315 120.129 120.500 -0.093 0.000 2.096 424 R HA -0.110 4.223 4.340 -0.012 0.000 0.235 424 R C 1.769 177.995 176.300 -0.124 0.000 1.127 424 R CA 0.767 56.772 56.100 -0.157 0.000 0.968 424 R CB -0.221 29.918 30.300 -0.267 0.000 0.861 424 R HN 0.149 nan 8.270 nan 0.000 0.440 425 L N 1.429 122.605 121.223 -0.078 0.000 2.012 425 L HA -0.175 4.158 4.340 -0.012 0.000 0.210 425 L C 2.532 179.403 176.870 0.003 0.000 1.073 425 L CA 2.110 56.922 54.840 -0.047 0.000 0.748 425 L CB -0.763 41.278 42.059 -0.030 0.000 0.891 425 L HN 0.299 nan 8.230 nan 0.000 0.431 426 R N -1.253 119.257 120.500 0.016 0.000 2.148 426 R HA -0.055 4.277 4.340 -0.012 0.000 0.223 426 R C 2.173 178.529 176.300 0.093 0.000 1.088 426 R CA 1.002 57.136 56.100 0.055 0.000 0.985 426 R CB -0.609 29.716 30.300 0.041 0.000 0.880 426 R HN 0.162 nan 8.270 nan 0.000 0.451 427 R N 0.159 120.696 120.500 0.063 0.000 2.090 427 R HA 0.121 4.453 4.340 -0.012 0.000 0.228 427 R C 1.985 178.390 176.300 0.175 0.000 1.110 427 R CA 1.701 57.865 56.100 0.107 0.000 0.973 427 R CB -0.131 30.189 30.300 0.033 0.000 0.869 427 R HN 0.322 nan 8.270 nan 0.000 0.440 428 M N 0.004 119.634 119.600 0.050 0.000 2.541 428 M HA 0.031 4.504 4.480 -0.012 0.000 0.252 428 M C 0.846 177.342 176.300 0.326 0.000 1.125 428 M CA 0.035 55.340 55.300 0.008 0.000 1.091 428 M CB 0.441 32.875 32.600 -0.278 0.000 1.420 428 M HN -0.088 nan 8.290 nan 0.000 0.486 429 S N 1.086 116.970 115.700 0.306 0.000 2.558 429 S HA 0.043 4.505 4.470 -0.012 0.000 0.291 429 S C 1.129 176.004 174.600 0.458 0.000 1.306 429 S CA -0.219 58.185 58.200 0.340 0.000 1.056 429 S CB 0.534 63.867 63.200 0.220 0.000 0.836 429 S HN 0.365 nan 8.310 nan 0.000 0.504 430 L N 4.107 125.551 121.223 0.368 0.000 2.395 430 L HA 0.115 4.448 4.340 -0.012 0.000 0.218 430 L C 0.210 177.192 176.870 0.187 0.000 1.130 430 L CA 0.281 55.289 54.840 0.280 0.000 0.826 430 L CB -0.423 41.744 42.059 0.181 0.000 0.941 430 L HN 0.394 nan 8.230 nan 0.000 0.451 431 V N 0.736 120.775 119.914 0.209 0.000 2.350 431 V HA 0.197 4.310 4.120 -0.012 0.000 0.276 431 V C 0.019 176.203 176.094 0.150 0.000 1.028 431 V CA -0.613 61.797 62.300 0.182 0.000 0.860 431 V CB 1.515 33.484 31.823 0.242 0.000 0.990 431 V HN 0.164 nan 8.190 nan 0.000 0.453 432 E N 3.211 123.479 120.200 0.112 0.000 2.146 432 E HA 0.409 4.752 4.350 -0.012 0.000 0.282 432 E C -0.651 176.000 176.600 0.086 0.000 0.989 432 E CA -0.527 55.928 56.400 0.092 0.000 0.799 432 E CB 1.893 31.627 29.700 0.058 0.000 1.088 432 E HN 0.607 nan 8.360 nan 0.000 0.397 433 E N 1.002 121.249 120.200 0.078 0.000 2.314 433 E HA 0.635 4.977 4.350 -0.012 0.000 0.262 433 E C 0.210 176.844 176.600 0.058 0.000 1.093 433 E CA 0.374 56.814 56.400 0.067 0.000 0.908 433 E CB 1.447 31.180 29.700 0.055 0.000 1.091 433 E HN 0.641 nan 8.360 nan 0.000 0.425 434 G N -0.142 108.690 108.800 0.054 0.000 2.260 434 G HA2 0.214 4.166 3.960 -0.012 0.000 0.250 434 G HA3 0.214 4.166 3.960 -0.012 0.000 0.250 434 G C 0.558 175.488 174.900 0.050 0.000 1.340 434 G CA 0.321 45.449 45.100 0.047 0.000 1.056 434 G HN 0.666 nan 8.290 nan 0.000 0.471 435 A N -0.810 122.038 122.820 0.046 0.000 1.879 435 A HA 0.230 4.543 4.320 -0.012 0.000 0.222 435 A C 1.858 179.479 177.584 0.062 0.000 1.368 435 A CA 4.715 56.781 52.037 0.047 0.000 0.707 435 A CB -1.298 17.730 19.000 0.046 0.000 0.846 435 A HN 2.447 nan 8.150 nan 0.000 0.468 436 V N -2.860 117.103 119.914 0.083 0.000 2.680 436 V HA 0.586 4.699 4.120 -0.012 0.000 0.309 436 V C -0.557 175.608 176.094 0.118 0.000 1.052 436 V CA -1.349 61.023 62.300 0.119 0.000 0.908 436 V CB 1.733 33.660 31.823 0.172 0.000 1.001 436 V HN 0.429 nan 8.190 nan 0.000 0.431 437 K N 3.995 124.474 120.400 0.132 0.000 2.295 437 K HA 0.529 4.841 4.320 -0.012 0.000 0.270 437 K C -0.442 176.231 176.600 0.122 0.000 1.011 437 K CA -0.291 56.071 56.287 0.124 0.000 0.953 437 K CB 0.998 33.584 32.500 0.143 0.000 0.956 437 K HN 0.733 nan 8.250 nan 0.000 0.477 438 R N 1.002 121.562 120.500 0.100 0.000 2.855 438 R HA 0.503 4.836 4.340 -0.012 0.000 0.266 438 R C -0.748 175.594 176.300 0.070 0.000 1.034 438 R CA -0.998 55.150 56.100 0.081 0.000 0.944 438 R CB 1.305 31.635 30.300 0.050 0.000 1.219 438 R HN 0.379 nan 8.270 nan 0.000 0.474 439 I N 1.701 122.305 120.570 0.057 0.000 2.378 439 I HA 0.190 4.353 4.170 -0.012 0.000 0.291 439 I C -0.403 175.698 176.117 -0.026 0.000 0.992 439 I CA -0.753 60.567 61.300 0.034 0.000 1.154 439 I CB 1.448 39.466 38.000 0.030 0.000 1.315 439 I HN 0.506 nan 8.210 nan 0.000 0.448 440 N N 7.062 125.715 118.700 -0.078 0.000 2.439 440 N HA 0.093 4.826 4.740 -0.012 0.000 0.243 440 N C 0.884 176.283 175.510 -0.184 0.000 1.088 440 N CA -0.366 52.554 53.050 -0.217 0.000 0.940 440 N CB 0.901 39.116 38.487 -0.453 0.000 1.180 440 N HN 0.381 nan 8.380 nan 0.000 0.505 441 M N 2.237 121.737 119.600 -0.166 0.000 2.202 441 M HA -0.110 4.362 4.480 -0.012 0.000 0.262 441 M C 1.979 178.129 176.300 -0.250 0.000 1.063 441 M CA 0.872 56.088 55.300 -0.141 0.000 1.097 441 M CB -1.624 30.933 32.600 -0.071 0.000 1.382 441 M HN 0.586 nan 8.290 nan 0.000 0.413 442 A N -0.622 122.040 122.820 -0.264 0.000 1.933 442 A HA -0.179 4.133 4.320 -0.012 0.000 0.218 442 A C 2.001 179.343 177.584 -0.404 0.000 1.175 442 A CA 1.532 53.365 52.037 -0.339 0.000 0.628 442 A CB -1.154 17.832 19.000 -0.023 0.000 0.814 442 A HN 0.616 nan 8.150 nan 0.000 0.444 443 H N -1.111 117.730 119.070 -0.381 0.000 2.387 443 H HA -0.027 4.521 4.556 -0.013 0.000 0.299 443 H C 2.116 177.209 175.328 -0.391 0.000 1.090 443 H CA 0.898 56.676 56.048 -0.451 0.000 1.332 443 H CB -0.033 29.672 29.762 -0.095 0.000 1.386 443 H HN 0.383 nan 8.280 nan 0.000 0.516 444 L N 0.329 121.459 121.223 -0.154 0.000 1.994 444 L HA -0.232 4.100 4.340 -0.012 0.000 0.208 444 L C 2.286 179.018 176.870 -0.231 0.000 1.071 444 L CA 1.365 56.119 54.840 -0.142 0.000 0.745 444 L CB -0.414 41.585 42.059 -0.099 0.000 0.892 444 L HN 0.446 nan 8.230 nan 0.000 0.431 445 C N 0.059 119.117 119.300 -0.403 0.000 2.413 445 C HA -0.189 4.264 4.460 -0.012 0.000 0.276 445 C C 2.666 177.410 174.990 -0.410 0.000 1.248 445 C CA 0.659 59.366 59.018 -0.518 0.000 1.742 445 C CB -0.815 26.230 27.740 -1.158 0.000 2.017 445 C HN 0.516 nan 8.230 nan 0.000 0.481 446 I N 1.396 121.678 120.570 -0.481 0.000 2.179 446 I HA -0.215 3.948 4.170 -0.012 0.000 0.242 446 I C 2.748 178.719 176.117 -0.245 0.000 1.088 446 I CA 1.698 62.768 61.300 -0.383 0.000 1.357 446 I CB -0.527 37.112 38.000 -0.601 0.000 1.051 446 I HN 0.277 nan 8.210 nan 0.000 0.409 447 A N 0.431 123.081 122.820 -0.283 0.000 1.933 447 A HA -0.102 4.210 4.320 -0.012 0.000 0.218 447 A C 2.203 179.814 177.584 0.045 0.000 1.175 447 A CA 1.872 53.786 52.037 -0.205 0.000 0.628 447 A CB -1.161 17.553 19.000 -0.477 0.000 0.814 447 A HN 0.482 nan 8.150 nan 0.000 0.444 448 G N -1.073 107.706 108.800 -0.035 0.000 3.284 448 G HA2 0.418 4.370 3.960 -0.012 0.000 0.236 448 G HA3 0.418 4.370 3.960 -0.012 0.000 0.236 448 G C 0.088 174.832 174.900 -0.260 0.000 1.158 448 G CA 0.485 45.449 45.100 -0.228 0.000 0.774 448 G HN 0.355 nan 8.290 nan 0.000 0.545 449 S N -0.416 115.186 115.700 -0.163 0.000 2.566 449 S HA 0.333 4.795 4.470 -0.012 0.000 0.298 449 S C 0.663 175.220 174.600 -0.072 0.000 1.083 449 S CA -0.720 57.411 58.200 -0.115 0.000 0.978 449 S CB 1.282 64.420 63.200 -0.103 0.000 1.073 449 S HN 0.503 nan 8.310 nan 0.000 0.491 450 H N -0.320 118.718 119.070 -0.053 0.000 2.553 450 H HA 0.547 5.095 4.556 -0.013 0.000 0.265 450 H C 0.041 175.365 175.328 -0.007 0.000 0.964 450 H CA 0.159 56.202 56.048 -0.009 0.000 1.156 450 H CB 0.151 29.917 29.762 0.007 0.000 1.411 450 H HN 0.527 nan 8.280 nan 0.000 0.558 451 A N 0.871 123.433 122.820 -0.430 0.000 2.517 451 A HA 0.550 4.862 4.320 -0.012 0.000 0.297 451 A C -1.513 175.881 177.584 -0.317 0.000 1.050 451 A CA -0.560 51.262 52.037 -0.359 0.000 0.694 451 A CB 2.130 20.883 19.000 -0.412 0.000 1.277 451 A HN 0.095 nan 8.150 nan 0.000 0.400 452 V N 4.026 123.715 119.914 -0.375 0.000 2.577 452 V HA 0.570 4.683 4.120 -0.012 0.000 0.303 452 V C -0.694 175.218 176.094 -0.303 0.000 1.042 452 V CA -0.737 61.330 62.300 -0.389 0.000 0.872 452 V CB 1.854 33.285 31.823 -0.653 0.000 0.998 452 V HN 1.042 nan 8.190 nan 0.000 0.423 453 N N 2.869 121.411 118.700 -0.263 0.000 2.321 453 N HA 0.647 5.380 4.740 -0.012 0.000 0.290 453 N C -0.361 175.062 175.510 -0.145 0.000 1.212 453 N CA -0.405 52.538 53.050 -0.179 0.000 0.767 453 N CB 2.941 41.299 38.487 -0.215 0.000 1.494 453 N HN 0.657 nan 8.380 nan 0.000 0.479 454 G N -0.930 107.825 108.800 -0.074 0.000 2.521 454 G HA2 0.440 4.392 3.960 -0.012 0.000 0.323 454 G HA3 0.440 4.392 3.960 -0.012 0.000 0.323 454 G C 0.716 175.688 174.900 0.119 0.000 1.211 454 G CA -0.578 44.546 45.100 0.040 0.000 0.979 454 G HN 0.604 nan 8.290 nan 0.000 0.490 455 V N -3.456 116.623 119.914 0.275 0.000 3.483 455 V HA 0.684 4.797 4.120 -0.012 0.000 0.301 455 V C 0.580 176.749 176.094 0.125 0.000 1.389 455 V CA 0.343 62.717 62.300 0.124 0.000 1.101 455 V CB -0.849 30.989 31.823 0.025 0.000 0.971 455 V HN 1.359 nan 8.190 nan 0.000 0.434 456 A N -0.289 122.618 122.820 0.145 0.000 2.599 456 A HA 0.613 4.926 4.320 -0.012 0.000 0.294 456 A C 0.674 178.308 177.584 0.084 0.000 1.055 456 A CA -0.157 51.944 52.037 0.108 0.000 0.683 456 A CB 1.107 20.160 19.000 0.088 0.000 1.278 456 A HN 0.003 nan 8.150 nan 0.000 0.412 457 R N 0.728 121.257 120.500 0.048 0.000 2.112 457 R HA -0.186 4.146 4.340 -0.012 0.000 0.242 457 R C 1.780 178.077 176.300 -0.006 0.000 1.137 457 R CA 2.388 58.493 56.100 0.010 0.000 0.944 457 R CB -0.251 30.050 30.300 0.002 0.000 0.857 457 R HN 0.838 nan 8.270 nan 0.000 0.435 458 I N 0.067 120.642 120.570 0.008 0.000 2.315 458 I HA -0.281 3.882 4.170 -0.012 0.000 0.248 458 I C 2.310 178.428 176.117 0.001 0.000 1.117 458 I CA 1.887 63.183 61.300 -0.008 0.000 1.404 458 I CB -0.238 37.758 38.000 -0.006 0.000 1.071 458 I HN 0.324 nan 8.210 nan 0.000 0.419 459 H N 0.320 119.360 119.070 -0.050 0.000 2.357 459 H HA -0.107 4.441 4.556 -0.013 0.000 0.301 459 H C 2.227 177.519 175.328 -0.061 0.000 1.082 459 H CA 2.162 58.175 56.048 -0.059 0.000 1.342 459 H CB -0.249 29.484 29.762 -0.049 0.000 1.389 459 H HN 0.262 nan 8.280 nan 0.000 0.511 460 S N 0.222 115.793 115.700 -0.215 0.000 2.382 460 S HA -0.120 4.342 4.470 -0.012 0.000 0.228 460 S C 1.900 176.368 174.600 -0.220 0.000 1.027 460 S CA 1.171 59.223 58.200 -0.246 0.000 0.991 460 S CB -0.079 63.058 63.200 -0.105 0.000 0.823 460 S HN 0.475 nan 8.310 nan 0.000 0.469 461 E N 1.114 121.211 120.200 -0.171 0.000 2.072 461 E HA -0.012 4.330 4.350 -0.012 0.000 0.191 461 E C 1.988 178.465 176.600 -0.204 0.000 0.985 461 E CA 0.639 56.930 56.400 -0.182 0.000 0.801 461 E CB -0.386 29.239 29.700 -0.124 0.000 0.750 461 E HN 0.494 nan 8.360 nan 0.000 0.452 462 I N 0.878 121.337 120.570 -0.185 0.000 2.264 462 I HA -0.277 3.885 4.170 -0.012 0.000 0.248 462 I C 2.310 178.286 176.117 -0.235 0.000 1.111 462 I CA 0.764 61.957 61.300 -0.177 0.000 1.382 462 I CB -0.129 37.794 38.000 -0.128 0.000 1.060 462 I HN 0.064 nan 8.210 nan 0.000 0.418 463 L N 0.082 121.125 121.223 -0.299 0.000 2.056 463 L HA -0.221 4.112 4.340 -0.012 0.000 0.207 463 L C 2.492 179.232 176.870 -0.215 0.000 1.078 463 L CA 1.490 56.164 54.840 -0.276 0.000 0.749 463 L CB -0.599 41.382 42.059 -0.131 0.000 0.901 463 L HN 0.184 nan 8.230 nan 0.000 0.433 464 K N 0.120 120.328 120.400 -0.320 0.000 2.103 464 K HA -0.131 4.182 4.320 -0.012 0.000 0.204 464 K C 2.127 178.529 176.600 -0.330 0.000 1.052 464 K CA 1.091 57.053 56.287 -0.542 0.000 0.945 464 K CB 0.024 31.969 32.500 -0.925 0.000 0.722 464 K HN 0.228 nan 8.250 nan 0.000 0.443 465 K N -0.223 120.032 120.400 -0.241 0.000 2.243 465 K HA -0.001 4.312 4.320 -0.012 0.000 0.201 465 K C 1.342 177.882 176.600 -0.100 0.000 1.051 465 K CA 1.042 57.243 56.287 -0.143 0.000 0.970 465 K CB 0.391 32.817 32.500 -0.123 0.000 0.755 465 K HN 0.100 nan 8.250 nan 0.000 0.465 466 T N 0.338 114.819 114.554 -0.123 0.000 3.066 466 T HA 0.056 4.399 4.350 -0.012 0.000 0.176 466 T C 1.489 176.125 174.700 -0.106 0.000 0.826 466 T CA -0.390 61.649 62.100 -0.101 0.000 1.280 466 T CB -0.472 68.329 68.868 -0.112 0.000 2.214 466 T HN -0.084 nan 8.240 nan 0.000 0.399 467 I N 1.072 121.512 120.570 -0.218 0.000 2.143 467 I HA -0.176 3.987 4.170 -0.012 0.000 0.245 467 I C 0.754 176.754 176.117 -0.194 0.000 1.068 467 I CA 1.889 62.981 61.300 -0.348 0.000 1.326 467 I CB -0.197 37.362 38.000 -0.736 0.000 1.028 467 I HN 0.384 nan 8.210 nan 0.000 0.412 468 F N -0.578 119.443 119.950 0.118 0.000 2.855 468 F HA 0.225 4.744 4.527 -0.013 0.000 0.317 468 F C 1.744 177.640 175.800 0.161 0.000 1.169 468 F CA -0.498 57.653 58.000 0.252 0.000 1.299 468 F CB -0.149 39.016 39.000 0.275 0.000 0.962 468 F HN -0.129 nan 8.300 nan 0.000 0.506 469 K N 1.005 121.518 120.400 0.188 0.000 2.044 469 K HA -0.217 4.095 4.320 -0.012 0.000 0.210 469 K C 1.251 177.900 176.600 0.082 0.000 1.049 469 K CA 2.159 58.498 56.287 0.086 0.000 0.927 469 K CB -0.029 32.486 32.500 0.026 0.000 0.713 469 K HN 0.235 nan 8.250 nan 0.000 0.443 470 D N -0.228 120.191 120.400 0.032 0.000 2.144 470 D HA -0.154 4.478 4.640 -0.012 0.000 0.199 470 D C 1.831 178.021 176.300 -0.184 0.000 0.984 470 D CA 1.157 55.046 54.000 -0.186 0.000 0.834 470 D CB -0.302 40.289 40.800 -0.348 0.000 0.955 470 D HN 0.221 nan 8.370 nan 0.000 0.465 471 F N -0.128 119.899 119.950 0.128 0.000 2.206 471 F HA -0.139 4.381 4.527 -0.012 0.000 0.298 471 F C 2.331 178.266 175.800 0.225 0.000 1.090 471 F CA 0.502 58.657 58.000 0.259 0.000 1.323 471 F CB -0.666 38.565 39.000 0.385 0.000 1.028 471 F HN -0.044 nan 8.300 nan 0.000 0.492 472 Y N 1.408 121.651 120.300 -0.094 0.000 2.224 472 Y HA -0.201 4.341 4.550 -0.012 0.000 0.289 472 Y C 2.104 177.971 175.900 -0.054 0.000 1.146 472 Y CA 1.629 59.479 58.100 -0.417 0.000 1.182 472 Y CB -0.633 37.425 38.460 -0.670 0.000 0.983 472 Y HN 0.151 nan 8.280 nan 0.000 0.524 473 E N -0.207 119.919 120.200 -0.124 0.000 2.150 473 E HA -0.183 4.159 4.350 -0.012 0.000 0.193 473 E C 2.254 178.903 176.600 0.083 0.000 0.985 473 E CA 0.912 57.261 56.400 -0.085 0.000 0.814 473 E CB -0.187 29.519 29.700 0.010 0.000 0.752 473 E HN 0.441 nan 8.360 nan 0.000 0.466 474 L N 0.856 122.172 121.223 0.156 0.000 2.023 474 L HA -0.079 4.253 4.340 -0.012 0.000 0.205 474 L C 0.173 177.118 176.870 0.124 0.000 1.073 474 L CA 1.494 56.461 54.840 0.212 0.000 0.745 474 L CB 0.115 42.309 42.059 0.226 0.000 0.900 474 L HN 0.069 nan 8.230 nan 0.000 0.435 475 E N 0.051 120.320 120.200 0.116 0.000 2.914 475 E HA 0.174 4.517 4.350 -0.012 0.000 0.246 475 E C -2.002 174.531 176.600 -0.111 0.000 1.146 475 E CA -1.459 54.899 56.400 -0.069 0.000 0.803 475 E CB 0.992 30.620 29.700 -0.119 0.000 1.409 475 E HN 0.193 nan 8.360 nan 0.000 0.392 476 P HA -0.251 nan 4.420 nan 0.000 0.219 476 P C 1.209 178.619 177.300 0.183 0.000 1.146 476 P CA 1.396 64.417 63.100 -0.132 0.000 0.808 476 P CB -0.089 31.393 31.700 -0.363 0.000 0.779 477 H N 0.330 119.514 119.070 0.191 0.000 2.456 477 H HA 0.036 4.584 4.556 -0.013 0.000 0.296 477 H C 1.545 176.972 175.328 0.164 0.000 1.079 477 H CA 0.876 57.022 56.048 0.163 0.000 1.322 477 H CB -0.700 29.125 29.762 0.106 0.000 1.388 477 H HN 0.143 nan 8.280 nan 0.000 0.538 478 K N 0.471 120.816 120.400 -0.092 0.000 2.097 478 K HA -0.003 4.310 4.320 -0.012 0.000 0.205 478 K C 0.030 176.503 176.600 -0.212 0.000 1.050 478 K CA 0.476 56.678 56.287 -0.141 0.000 0.938 478 K CB -0.022 32.258 32.500 -0.366 0.000 0.718 478 K HN 0.107 nan 8.250 nan 0.000 0.442 479 F N 1.889 121.884 119.950 0.075 0.000 2.467 479 F HA 0.105 4.624 4.527 -0.013 0.000 0.362 479 F C 0.611 176.421 175.800 0.017 0.000 1.090 479 F CA -0.008 58.030 58.000 0.063 0.000 1.202 479 F CB 0.708 39.792 39.000 0.140 0.000 1.113 479 F HN -0.024 nan 8.300 nan 0.000 0.541 480 Q N 1.804 121.638 119.800 0.057 0.000 2.857 480 Q HA 0.407 4.739 4.340 -0.012 0.000 0.319 480 Q C -1.296 174.668 176.000 -0.061 0.000 0.963 480 Q CA -1.341 54.451 55.803 -0.019 0.000 0.770 480 Q CB 2.892 31.568 28.738 -0.103 0.000 1.492 480 Q HN 0.636 nan 8.270 nan 0.000 0.493 481 N N 0.285 118.927 118.700 -0.097 0.000 2.229 481 N HA 0.297 5.030 4.740 -0.012 0.000 0.298 481 N C -1.644 173.772 175.510 -0.158 0.000 1.114 481 N CA -0.426 52.566 53.050 -0.097 0.000 0.776 481 N CB 1.469 39.922 38.487 -0.056 0.000 1.501 481 N HN 0.310 nan 8.380 nan 0.000 0.474 482 K N 2.456 122.772 120.400 -0.140 0.000 2.740 482 K HA 0.194 4.507 4.320 -0.012 0.000 0.246 482 K C -1.053 175.566 176.600 0.032 0.000 1.021 482 K CA -0.470 55.715 56.287 -0.171 0.000 1.021 482 K CB 1.229 33.422 32.500 -0.512 0.000 1.233 482 K HN 0.558 nan 8.250 nan 0.000 0.497 483 T N 2.037 116.626 114.554 0.059 0.000 2.928 483 T HA 0.089 4.432 4.350 -0.012 0.000 0.305 483 T C 0.819 175.652 174.700 0.222 0.000 1.035 483 T CA 0.254 62.437 62.100 0.138 0.000 1.145 483 T CB 0.387 69.342 68.868 0.145 0.000 0.963 483 T HN 0.351 nan 8.240 nan 0.000 0.545 484 N N 0.425 119.272 118.700 0.245 0.000 2.297 484 N HA 0.436 5.169 4.740 -0.012 0.000 0.232 484 N C 0.482 176.176 175.510 0.307 0.000 1.311 484 N CA -0.227 52.998 53.050 0.292 0.000 0.897 484 N CB 0.395 38.992 38.487 0.184 0.000 1.137 484 N HN 0.762 nan 8.380 nan 0.000 0.449 485 G N -0.777 108.207 108.800 0.307 0.000 2.663 485 G HA2 0.598 4.550 3.960 -0.012 0.000 0.299 485 G HA3 0.598 4.550 3.960 -0.012 0.000 0.299 485 G C -1.542 173.488 174.900 0.216 0.000 1.372 485 G CA -0.746 44.524 45.100 0.283 0.000 0.781 485 G HN 0.605 nan 8.290 nan 0.000 0.491 486 I N -2.542 118.147 120.570 0.198 0.000 2.865 486 I HA 0.742 4.905 4.170 -0.012 0.000 0.302 486 I C -0.270 176.008 176.117 0.269 0.000 1.140 486 I CA -0.960 60.454 61.300 0.191 0.000 1.021 486 I CB 2.433 40.439 38.000 0.011 0.000 1.233 486 I HN 0.501 nan 8.210 nan 0.000 0.427 487 T N 4.399 119.168 114.554 0.359 0.000 2.779 487 T HA 0.348 4.691 4.350 -0.012 0.000 0.296 487 T C -1.375 173.439 174.700 0.191 0.000 0.938 487 T CA -1.569 60.659 62.100 0.213 0.000 1.119 487 T CB 0.736 69.671 68.868 0.112 0.000 0.891 487 T HN 0.628 nan 8.240 nan 0.000 0.526 488 P HA -0.003 nan 4.420 nan 0.000 0.226 488 P C 1.210 178.482 177.300 -0.046 0.000 1.153 488 P CA 0.504 63.640 63.100 0.060 0.000 0.777 488 P CB 0.350 32.066 31.700 0.026 0.000 0.794 489 R N 0.351 120.772 120.500 -0.132 0.000 2.064 489 R HA -0.025 4.308 4.340 -0.012 0.000 0.228 489 R C 2.728 178.911 176.300 -0.196 0.000 1.144 489 R CA 1.663 57.644 56.100 -0.199 0.000 0.932 489 R CB -1.134 29.049 30.300 -0.194 0.000 0.833 489 R HN 0.052 nan 8.270 nan 0.000 0.429 490 R N -0.812 119.511 120.500 -0.296 0.000 2.092 490 R HA -0.103 4.230 4.340 -0.012 0.000 0.231 490 R C 1.053 177.006 176.300 -0.579 0.000 1.119 490 R CA 1.481 57.258 56.100 -0.540 0.000 0.970 490 R CB -0.160 29.627 30.300 -0.855 0.000 0.864 490 R HN 0.303 nan 8.270 nan 0.000 0.440 491 W N 0.149 121.404 121.300 -0.075 0.000 3.438 491 W HA 0.139 4.791 4.660 -0.013 0.000 0.322 491 W C 0.849 177.334 176.519 -0.055 0.000 1.261 491 W CA -0.692 56.607 57.345 -0.076 0.000 1.788 491 W CB 0.390 29.810 29.460 -0.067 0.000 1.065 491 W HN 0.241 nan 8.180 nan 0.000 0.715 492 L N -2.515 118.762 121.223 0.089 0.000 2.455 492 L HA 0.147 4.479 4.340 -0.012 0.000 0.138 492 L C 1.740 178.625 176.870 0.024 0.000 1.398 492 L CA 0.632 55.519 54.840 0.079 0.000 0.998 492 L CB -0.854 41.274 42.059 0.116 0.000 1.985 492 L HN -0.272 nan 8.230 nan 0.000 0.493 493 V N 1.400 121.309 119.914 -0.009 0.000 2.324 493 V HA -0.289 3.824 4.120 -0.012 0.000 0.250 493 V C 2.435 178.502 176.094 -0.045 0.000 1.060 493 V CA 2.571 64.855 62.300 -0.026 0.000 1.042 493 V CB -0.775 31.006 31.823 -0.071 0.000 0.650 493 V HN 0.527 nan 8.190 nan 0.000 0.450 494 L N 0.443 121.610 121.223 -0.093 0.000 2.023 494 L HA -0.173 4.160 4.340 -0.012 0.000 0.205 494 L C 2.544 179.354 176.870 -0.101 0.000 1.073 494 L CA 2.338 57.107 54.840 -0.118 0.000 0.745 494 L CB -0.297 41.640 42.059 -0.204 0.000 0.900 494 L HN 0.645 nan 8.230 nan 0.000 0.435 495 C N -1.637 117.598 119.300 -0.108 0.000 2.514 495 C HA 0.165 4.618 4.460 -0.012 0.000 0.271 495 C C 1.188 176.164 174.990 -0.022 0.000 1.399 495 C CA -0.241 58.735 59.018 -0.069 0.000 1.765 495 C CB -1.079 26.628 27.740 -0.056 0.000 1.893 495 C HN 0.589 nan 8.230 nan 0.000 0.531 496 N N 1.082 119.779 118.700 -0.006 0.000 2.733 496 N HA 0.291 5.024 4.740 -0.012 0.000 0.271 496 N C -1.817 173.705 175.510 0.019 0.000 1.720 496 N CA -1.579 51.478 53.050 0.012 0.000 0.803 496 N CB 0.840 39.342 38.487 0.024 0.000 1.208 496 N HN 0.237 nan 8.380 nan 0.000 0.498 497 P HA -0.038 nan 4.420 nan 0.000 0.217 497 P C 1.400 178.716 177.300 0.026 0.000 1.150 497 P CA 0.914 64.025 63.100 0.019 0.000 0.832 497 P CB 0.251 31.955 31.700 0.007 0.000 0.787 498 G N 0.629 109.440 108.800 0.017 0.000 2.440 498 G HA2 -0.248 3.704 3.960 -0.012 0.000 0.218 498 G HA3 -0.248 3.704 3.960 -0.012 0.000 0.218 498 G C 1.524 176.430 174.900 0.011 0.000 1.154 498 G CA 0.734 45.841 45.100 0.012 0.000 0.767 498 G HN 0.263 nan 8.290 nan 0.000 0.552 499 L N 1.202 122.433 121.223 0.013 0.000 2.072 499 L HA 0.296 4.629 4.340 -0.012 0.000 0.205 499 L C 3.014 179.911 176.870 0.046 0.000 1.079 499 L CA 1.988 56.832 54.840 0.007 0.000 0.752 499 L CB -0.702 41.362 42.059 0.008 0.000 0.906 499 L HN 0.214 nan 8.230 nan 0.000 0.436 500 A N -0.702 122.167 122.820 0.083 0.000 1.933 500 A HA -0.239 4.073 4.320 -0.012 0.000 0.218 500 A C 2.220 179.900 177.584 0.159 0.000 1.175 500 A CA 1.722 53.859 52.037 0.168 0.000 0.628 500 A CB -0.653 18.438 19.000 0.152 0.000 0.814 500 A HN 0.555 nan 8.150 nan 0.000 0.444 501 E N 0.859 121.113 120.200 0.091 0.000 2.031 501 E HA -0.179 4.163 4.350 -0.012 0.000 0.193 501 E C 1.862 178.505 176.600 0.072 0.000 0.994 501 E CA 1.723 58.168 56.400 0.075 0.000 0.800 501 E CB -0.548 29.177 29.700 0.043 0.000 0.752 501 E HN 0.730 nan 8.360 nan 0.000 0.447 502 I N -1.615 118.990 120.570 0.057 0.000 2.454 502 I HA -0.160 4.003 4.170 -0.012 0.000 0.254 502 I C 2.191 178.396 176.117 0.147 0.000 1.156 502 I CA 1.211 62.560 61.300 0.082 0.000 1.433 502 I CB -0.363 37.653 38.000 0.027 0.000 1.082 502 I HN 0.044 nan 8.210 nan 0.000 0.432 503 I N 1.879 122.509 120.570 0.100 0.000 2.286 503 I HA -0.171 3.991 4.170 -0.012 0.000 0.245 503 I C 2.988 179.072 176.117 -0.054 0.000 1.104 503 I CA 1.284 62.585 61.300 0.002 0.000 1.397 503 I CB -0.397 37.486 38.000 -0.196 0.000 1.072 503 I HN 0.299 nan 8.210 nan 0.000 0.417 504 A N 0.209 123.084 122.820 0.092 0.000 1.969 504 A HA -0.213 4.100 4.320 -0.012 0.000 0.218 504 A C 2.152 179.771 177.584 0.058 0.000 1.169 504 A CA 1.477 53.614 52.037 0.167 0.000 0.635 504 A CB -0.533 18.599 19.000 0.219 0.000 0.810 504 A HN 0.418 nan 8.150 nan 0.000 0.445 505 E N -0.598 119.618 120.200 0.028 0.000 2.153 505 E HA -0.189 4.154 4.350 -0.012 0.000 0.194 505 E C 2.256 178.820 176.600 -0.059 0.000 0.988 505 E CA 1.177 57.577 56.400 0.000 0.000 0.811 505 E CB -0.011 29.696 29.700 0.011 0.000 0.746 505 E HN 0.523 nan 8.360 nan 0.000 0.466 506 R N 0.042 120.448 120.500 -0.158 0.000 2.087 506 R HA 0.074 4.406 4.340 -0.012 0.000 0.216 506 R C 2.303 178.494 176.300 -0.182 0.000 1.114 506 R CA 0.848 56.762 56.100 -0.311 0.000 1.002 506 R CB -0.305 29.463 30.300 -0.887 0.000 0.903 506 R HN 0.291 nan 8.270 nan 0.000 0.445 507 I N -2.435 118.048 120.570 -0.145 0.000 4.025 507 I HA 0.445 4.608 4.170 -0.012 0.000 0.336 507 I C 0.471 176.623 176.117 0.059 0.000 1.390 507 I CA 0.071 61.349 61.300 -0.037 0.000 1.099 507 I CB 0.826 38.786 38.000 -0.067 0.000 1.049 507 I HN 0.207 nan 8.210 nan 0.000 0.394 508 G N 1.873 110.722 108.800 0.082 0.000 2.660 508 G HA2 -0.209 3.744 3.960 -0.012 0.000 0.247 508 G HA3 -0.209 3.744 3.960 -0.012 0.000 0.247 508 G C -0.050 174.994 174.900 0.240 0.000 1.328 508 G CA 0.151 45.327 45.100 0.126 0.000 0.884 508 G HN 0.411 nan 8.290 nan 0.000 0.531 509 E N -0.492 119.791 120.200 0.138 0.000 2.460 509 E HA 0.089 4.431 4.350 -0.012 0.000 0.200 509 E C 1.808 178.357 176.600 -0.086 0.000 1.011 509 E CA -0.051 56.361 56.400 0.019 0.000 0.912 509 E CB 0.269 29.972 29.700 0.005 0.000 0.953 509 E HN 0.456 nan 8.360 nan 0.000 0.494 510 E N 0.503 120.726 120.200 0.038 0.000 2.401 510 E HA -0.173 4.169 4.350 -0.012 0.000 0.199 510 E C 1.464 178.068 176.600 0.008 0.000 1.023 510 E CA 0.746 57.160 56.400 0.024 0.000 0.859 510 E CB 0.049 29.785 29.700 0.060 0.000 0.780 510 E HN 0.519 nan 8.360 nan 0.000 0.523 511 Y N -1.353 118.952 120.300 0.008 0.000 2.516 511 Y HA -0.008 4.536 4.550 -0.011 0.000 0.291 511 Y C 1.845 177.722 175.900 -0.038 0.000 1.131 511 Y CA 0.253 58.349 58.100 -0.006 0.000 1.281 511 Y CB -0.331 38.129 38.460 0.001 0.000 1.013 511 Y HN -0.101 nan 8.280 nan 0.000 0.554 512 I N 1.214 121.330 120.570 -0.756 0.000 2.361 512 I HA -0.209 3.954 4.170 -0.012 0.000 0.251 512 I C 1.557 177.431 176.117 -0.404 0.000 1.133 512 I CA 1.787 62.694 61.300 -0.655 0.000 1.413 512 I CB -1.255 36.272 38.000 -0.789 0.000 1.073 512 I HN 0.511 nan 8.210 nan 0.000 0.424 513 S N -1.416 114.143 115.700 -0.235 0.000 2.663 513 S HA 0.211 4.673 4.470 -0.012 0.000 0.243 513 S C 0.207 174.791 174.600 -0.027 0.000 1.009 513 S CA -0.429 57.708 58.200 -0.105 0.000 0.988 513 S CB 0.325 63.533 63.200 0.013 0.000 0.896 513 S HN 0.309 nan 8.310 nan 0.000 0.502 514 D N 0.835 121.229 120.400 -0.011 0.000 3.118 514 D HA 0.215 4.848 4.640 -0.012 0.000 0.259 514 D C 0.666 177.012 176.300 0.077 0.000 1.292 514 D CA -0.332 53.687 54.000 0.032 0.000 0.784 514 D CB -0.152 40.672 40.800 0.040 0.000 1.413 514 D HN 0.122 nan 8.370 nan 0.000 0.583 515 L N 0.366 121.636 121.223 0.077 0.000 2.263 515 L HA -0.146 4.186 4.340 -0.012 0.000 0.216 515 L C 1.105 178.027 176.870 0.087 0.000 1.111 515 L CA 1.219 56.132 54.840 0.122 0.000 0.773 515 L CB 0.051 42.170 42.059 0.101 0.000 0.906 515 L HN 0.296 nan 8.230 nan 0.000 0.439 516 D N -0.283 120.145 120.400 0.047 0.000 2.221 516 D HA -0.220 4.412 4.640 -0.012 0.000 0.204 516 D C 2.016 178.336 176.300 0.033 0.000 0.982 516 D CA 0.952 54.964 54.000 0.021 0.000 0.857 516 D CB -0.027 40.774 40.800 0.003 0.000 0.934 516 D HN 0.481 nan 8.370 nan 0.000 0.475 517 Q N -0.275 119.563 119.800 0.062 0.000 2.508 517 Q HA -0.097 4.235 4.340 -0.012 0.000 0.214 517 Q C 1.638 177.654 176.000 0.027 0.000 0.979 517 Q CA 0.063 55.903 55.803 0.061 0.000 0.911 517 Q CB 0.096 28.900 28.738 0.110 0.000 0.969 517 Q HN 0.181 nan 8.270 nan 0.000 0.504 518 L N 0.470 121.703 121.223 0.016 0.000 2.275 518 L HA -0.126 4.207 4.340 -0.012 0.000 0.215 518 L C 2.020 178.885 176.870 -0.010 0.000 1.119 518 L CA 1.400 56.216 54.840 -0.040 0.000 0.790 518 L CB -0.391 41.659 42.059 -0.016 0.000 0.919 518 L HN 0.122 nan 8.230 nan 0.000 0.443 519 R N -0.402 120.103 120.500 0.008 0.000 2.127 519 R HA -0.184 4.149 4.340 -0.012 0.000 0.238 519 R C 1.964 178.272 176.300 0.013 0.000 1.134 519 R CA 1.093 57.200 56.100 0.012 0.000 0.975 519 R CB -0.227 30.076 30.300 0.005 0.000 0.865 519 R HN 0.404 nan 8.270 nan 0.000 0.447 520 K N 0.609 121.016 120.400 0.013 0.000 2.281 520 K HA -0.120 4.193 4.320 -0.012 0.000 0.203 520 K C 1.897 178.543 176.600 0.076 0.000 1.046 520 K CA 0.825 57.130 56.287 0.029 0.000 0.938 520 K CB -0.102 32.420 32.500 0.037 0.000 0.737 520 K HN 0.254 nan 8.250 nan 0.000 0.458 521 L N 0.557 121.810 121.223 0.049 0.000 2.376 521 L HA -0.135 4.197 4.340 -0.012 0.000 0.219 521 L C 1.947 178.889 176.870 0.120 0.000 1.133 521 L CA 0.076 54.962 54.840 0.078 0.000 0.816 521 L CB -0.227 41.851 42.059 0.032 0.000 0.933 521 L HN 0.142 nan 8.230 nan 0.000 0.449 522 L N 0.216 121.476 121.223 0.061 0.000 2.079 522 L HA -0.219 4.113 4.340 -0.012 0.000 0.210 522 L C 2.740 179.602 176.870 -0.013 0.000 1.081 522 L CA 2.126 56.986 54.840 0.033 0.000 0.752 522 L CB -1.000 41.064 42.059 0.007 0.000 0.896 522 L HN 0.360 nan 8.230 nan 0.000 0.433 523 S N -2.547 113.096 115.700 -0.096 0.000 2.660 523 S HA -0.110 4.353 4.470 -0.012 0.000 0.228 523 S C 1.167 175.486 174.600 -0.469 0.000 0.966 523 S CA 0.392 58.428 58.200 -0.273 0.000 0.940 523 S CB -0.602 62.378 63.200 -0.367 0.000 0.773 523 S HN 0.492 nan 8.310 nan 0.000 0.535 524 Y N -0.756 119.471 120.300 -0.122 0.000 2.557 524 Y HA 0.425 4.972 4.550 -0.004 0.000 0.247 524 Y C 1.863 177.784 175.900 0.035 0.000 1.164 524 Y CA -0.572 57.445 58.100 -0.139 0.000 1.218 524 Y CB 0.236 38.390 38.460 -0.509 0.000 1.210 524 Y HN 0.255 nan 8.280 nan 0.000 0.529 525 V N 0.466 120.461 119.914 0.135 0.000 2.828 525 V HA -0.221 3.891 4.120 -0.012 0.000 0.260 525 V C 0.895 177.055 176.094 0.110 0.000 1.101 525 V CA 2.276 64.661 62.300 0.142 0.000 1.123 525 V CB -0.025 31.844 31.823 0.078 0.000 0.704 525 V HN 0.369 nan 8.190 nan 0.000 0.493 526 D N -1.090 119.355 120.400 0.075 0.000 2.433 526 D HA 0.115 4.748 4.640 -0.012 0.000 0.211 526 D C 0.396 176.741 176.300 0.076 0.000 1.114 526 D CA -0.089 53.945 54.000 0.057 0.000 0.837 526 D CB 0.140 40.950 40.800 0.017 0.000 0.984 526 D HN 0.427 nan 8.370 nan 0.000 0.505 527 D N 1.616 122.091 120.400 0.124 0.000 2.401 527 D HA -0.056 4.576 4.640 -0.012 0.000 0.254 527 D C 1.218 177.619 176.300 0.168 0.000 1.192 527 D CA 0.153 54.248 54.000 0.158 0.000 0.885 527 D CB 1.582 42.546 40.800 0.273 0.000 1.147 527 D HN -0.218 nan 8.370 nan 0.000 0.478 528 E N 3.380 123.649 120.200 0.114 0.000 2.106 528 E HA -0.106 4.236 4.350 -0.012 0.000 0.192 528 E C 1.674 178.335 176.600 0.101 0.000 0.984 528 E CA 1.311 57.766 56.400 0.090 0.000 0.806 528 E CB -0.197 29.538 29.700 0.059 0.000 0.750 528 E HN 0.589 nan 8.360 nan 0.000 0.458 529 A N -0.280 122.615 122.820 0.124 0.000 1.873 529 A HA -0.127 4.185 4.320 -0.012 0.000 0.215 529 A C 2.293 179.972 177.584 0.158 0.000 1.186 529 A CA 1.246 53.354 52.037 0.119 0.000 0.616 529 A CB -1.023 18.048 19.000 0.119 0.000 0.823 529 A HN 0.390 nan 8.150 nan 0.000 0.442 530 F N 0.336 120.307 119.950 0.034 0.000 2.095 530 F HA -0.197 4.324 4.527 -0.010 0.000 0.298 530 F C 2.092 177.904 175.800 0.018 0.000 1.104 530 F CA 1.737 59.744 58.000 0.012 0.000 1.232 530 F CB -0.133 38.889 39.000 0.037 0.000 0.987 530 F HN 0.166 nan 8.300 nan 0.000 0.475 531 I N 0.056 120.689 120.570 0.106 0.000 2.208 531 I HA -0.355 3.807 4.170 -0.012 0.000 0.245 531 I C 2.539 178.623 176.117 -0.054 0.000 1.097 531 I CA 1.616 62.918 61.300 0.002 0.000 1.363 531 I CB -0.441 37.596 38.000 0.062 0.000 1.051 531 I HN 0.093 nan 8.210 nan 0.000 0.413 532 R N 0.693 121.180 120.500 -0.022 0.000 2.092 532 R HA -0.173 4.159 4.340 -0.012 0.000 0.231 532 R C 1.854 178.113 176.300 -0.069 0.000 1.119 532 R CA 1.687 57.768 56.100 -0.031 0.000 0.970 532 R CB -0.077 30.221 30.300 -0.003 0.000 0.864 532 R HN 0.277 nan 8.270 nan 0.000 0.440 533 D N -0.351 119.987 120.400 -0.103 0.000 2.084 533 D HA -0.119 4.514 4.640 -0.012 0.000 0.196 533 D C 1.941 178.115 176.300 -0.209 0.000 0.985 533 D CA 1.314 55.231 54.000 -0.138 0.000 0.826 533 D CB -0.312 40.406 40.800 -0.136 0.000 0.978 533 D HN 0.036 nan 8.370 nan 0.000 0.456 534 V N 1.496 121.188 119.914 -0.369 0.000 2.324 534 V HA -0.286 3.827 4.120 -0.012 0.000 0.250 534 V C 2.454 178.456 176.094 -0.153 0.000 1.060 534 V CA 2.027 64.125 62.300 -0.337 0.000 1.042 534 V CB -0.789 30.779 31.823 -0.425 0.000 0.650 534 V HN 0.209 nan 8.190 nan 0.000 0.450 535 A N -0.862 121.890 122.820 -0.113 0.000 2.014 535 A HA -0.197 4.116 4.320 -0.012 0.000 0.218 535 A C 2.348 179.900 177.584 -0.054 0.000 1.163 535 A CA 1.833 53.837 52.037 -0.054 0.000 0.652 535 A CB -0.382 18.593 19.000 -0.042 0.000 0.808 535 A HN 0.538 nan 8.150 nan 0.000 0.449 536 K N 0.284 120.646 120.400 -0.064 0.000 2.031 536 K HA -0.094 4.218 4.320 -0.012 0.000 0.205 536 K C 1.994 178.570 176.600 -0.040 0.000 1.049 536 K CA 1.648 57.906 56.287 -0.047 0.000 0.939 536 K CB -0.342 32.132 32.500 -0.043 0.000 0.717 536 K HN 0.398 nan 8.250 nan 0.000 0.438 537 V N 0.076 119.961 119.914 -0.050 0.000 2.407 537 V HA -0.196 3.917 4.120 -0.012 0.000 0.248 537 V C 2.234 178.317 176.094 -0.019 0.000 1.055 537 V CA 2.078 64.359 62.300 -0.032 0.000 1.049 537 V CB -0.679 31.120 31.823 -0.041 0.000 0.662 537 V HN 0.210 nan 8.190 nan 0.000 0.455 538 K N 0.698 121.085 120.400 -0.022 0.000 2.097 538 K HA -0.205 4.108 4.320 -0.012 0.000 0.206 538 K C 2.280 178.865 176.600 -0.025 0.000 1.049 538 K CA 2.182 58.466 56.287 -0.005 0.000 0.933 538 K CB -0.680 31.831 32.500 0.018 0.000 0.717 538 K HN 0.579 nan 8.250 nan 0.000 0.442 539 Q N 0.986 120.763 119.800 -0.037 0.000 2.119 539 Q HA -0.076 4.257 4.340 -0.012 0.000 0.201 539 Q C 1.673 177.659 176.000 -0.025 0.000 0.972 539 Q CA 1.869 57.641 55.803 -0.053 0.000 0.847 539 Q CB -0.082 28.627 28.738 -0.049 0.000 0.903 539 Q HN 0.517 nan 8.270 nan 0.000 0.433 540 E N -0.558 119.638 120.200 -0.007 0.000 2.106 540 E HA -0.147 4.196 4.350 -0.012 0.000 0.192 540 E C 1.678 178.302 176.600 0.041 0.000 0.984 540 E CA 0.944 57.353 56.400 0.015 0.000 0.806 540 E CB 0.004 29.711 29.700 0.012 0.000 0.750 540 E HN 0.384 nan 8.360 nan 0.000 0.458 541 N N 0.865 119.588 118.700 0.038 0.000 2.120 541 N HA -0.136 4.597 4.740 -0.012 0.000 0.188 541 N C 1.437 177.027 175.510 0.134 0.000 1.024 541 N CA 1.075 54.168 53.050 0.072 0.000 0.852 541 N CB -0.070 38.445 38.487 0.048 0.000 1.003 541 N HN 0.116 nan 8.380 nan 0.000 0.424 542 K N 0.387 120.832 120.400 0.076 0.000 2.148 542 K HA 0.032 4.345 4.320 -0.012 0.000 0.204 542 K C 1.994 178.709 176.600 0.193 0.000 1.050 542 K CA 0.564 56.913 56.287 0.104 0.000 0.942 542 K CB -0.063 32.245 32.500 -0.321 0.000 0.724 542 K HN 0.119 nan 8.250 nan 0.000 0.446 543 L N 0.931 122.217 121.223 0.104 0.000 2.109 543 L HA -0.124 4.209 4.340 -0.012 0.000 0.207 543 L C 2.553 179.509 176.870 0.144 0.000 1.086 543 L CA 1.021 55.926 54.840 0.107 0.000 0.760 543 L CB -0.205 41.891 42.059 0.062 0.000 0.910 543 L HN 0.074 nan 8.230 nan 0.000 0.437 544 K N -0.291 120.203 120.400 0.157 0.000 2.057 544 K HA -0.189 4.123 4.320 -0.012 0.000 0.206 544 K C 2.187 178.930 176.600 0.239 0.000 1.050 544 K CA 1.523 57.912 56.287 0.170 0.000 0.935 544 K CB -0.217 32.373 32.500 0.150 0.000 0.715 544 K HN 0.109 nan 8.250 nan 0.000 0.439 545 F N 1.480 121.519 119.950 0.148 0.000 2.146 545 F HA -0.105 4.414 4.527 -0.012 0.000 0.298 545 F C 2.079 178.009 175.800 0.215 0.000 1.096 545 F CA 1.212 59.313 58.000 0.169 0.000 1.275 545 F CB -0.439 38.659 39.000 0.163 0.000 1.008 545 F HN 0.018 nan 8.300 nan 0.000 0.480 546 A N -0.001 122.931 122.820 0.188 0.000 2.019 546 A HA -0.028 4.284 4.320 -0.012 0.000 0.219 546 A C 2.366 179.947 177.584 -0.005 0.000 1.164 546 A CA 1.696 53.772 52.037 0.066 0.000 0.644 546 A CB -1.360 17.737 19.000 0.161 0.000 0.805 546 A HN 0.458 nan 8.150 nan 0.000 0.449 547 A N -1.266 121.586 122.820 0.054 0.000 1.855 547 A HA 0.007 4.319 4.320 -0.012 0.000 0.213 547 A C 2.092 179.693 177.584 0.028 0.000 1.195 547 A CA 1.402 53.470 52.037 0.052 0.000 0.610 547 A CB -0.981 18.068 19.000 0.081 0.000 0.837 547 A HN 0.747 nan 8.150 nan 0.000 0.444 548 Y N 0.289 120.538 120.300 -0.085 0.000 2.181 548 Y HA -0.259 4.283 4.550 -0.012 0.000 0.284 548 Y C 1.882 177.703 175.900 -0.131 0.000 1.179 548 Y CA 1.866 59.909 58.100 -0.095 0.000 1.179 548 Y CB -0.395 38.018 38.460 -0.078 0.000 0.973 548 Y HN 0.195 nan 8.280 nan 0.000 0.519 549 L N 0.856 122.027 121.223 -0.086 0.000 2.012 549 L HA -0.221 4.111 4.340 -0.012 0.000 0.210 549 L C 2.364 179.191 176.870 -0.071 0.000 1.073 549 L CA 2.130 56.904 54.840 -0.109 0.000 0.748 549 L CB -1.044 40.875 42.059 -0.234 0.000 0.891 549 L HN 0.363 nan 8.230 nan 0.000 0.431 550 E N -1.668 118.494 120.200 -0.064 0.000 2.158 550 E HA -0.134 4.208 4.350 -0.012 0.000 0.191 550 E C 2.259 178.813 176.600 -0.076 0.000 0.982 550 E CA 0.282 56.668 56.400 -0.024 0.000 0.823 550 E CB 0.110 29.831 29.700 0.034 0.000 0.766 550 E HN 0.358 nan 8.360 nan 0.000 0.468 551 R N 0.774 121.192 120.500 -0.136 0.000 2.109 551 R HA -0.165 4.168 4.340 -0.012 0.000 0.227 551 R C 2.025 178.160 176.300 -0.274 0.000 1.132 551 R CA 1.702 57.694 56.100 -0.179 0.000 0.907 551 R CB -0.072 30.110 30.300 -0.197 0.000 0.825 551 R HN -0.015 nan 8.270 nan 0.000 0.432 552 E N -1.580 118.319 120.200 -0.501 0.000 2.299 552 E HA -0.074 4.268 4.350 -0.012 0.000 0.193 552 E C 0.879 177.044 176.600 -0.726 0.000 0.998 552 E CA 0.866 56.856 56.400 -0.683 0.000 0.851 552 E CB 0.360 29.426 29.700 -1.056 0.000 0.795 552 E HN 0.384 nan 8.360 nan 0.000 0.492 553 Y N -0.103 120.069 120.300 -0.213 0.000 2.467 553 Y HA 0.280 4.823 4.550 -0.013 0.000 0.259 553 Y C -0.333 175.534 175.900 -0.055 0.000 1.084 553 Y CA -0.419 57.622 58.100 -0.097 0.000 1.275 553 Y CB 0.747 39.167 38.460 -0.065 0.000 1.208 553 Y HN -0.339 nan 8.280 nan 0.000 0.511 554 K N 1.036 121.469 120.400 0.054 0.000 6.236 554 K HA -0.079 4.234 4.320 -0.012 0.000 0.607 554 K C -0.611 176.029 176.600 0.066 0.000 1.570 554 K CA 0.962 57.275 56.287 0.042 0.000 1.551 554 K CB -1.472 31.041 32.500 0.021 0.000 1.812 554 K HN 0.428 nan 8.250 nan 0.000 0.338 555 V N -2.508 117.450 119.914 0.073 0.000 5.829 555 V HA -0.003 4.110 4.120 -0.012 0.000 0.697 555 V C -0.135 176.036 176.094 0.128 0.000 1.997 555 V CA -0.039 62.317 62.300 0.093 0.000 3.668 555 V CB -1.166 30.708 31.823 0.085 0.000 0.116 555 V HN 1.008 nan 8.190 nan 0.000 0.567 556 H N 0.973 120.049 119.070 0.011 0.000 2.892 556 H HA -0.084 4.464 4.556 -0.012 0.000 0.274 556 H C -0.270 175.063 175.328 0.009 0.000 0.794 556 H CA 1.933 57.988 56.048 0.013 0.000 1.128 556 H CB 0.101 29.875 29.762 0.021 0.000 1.126 556 H HN 1.334 nan 8.280 nan 0.000 0.623 557 I N 0.083 120.313 120.570 -0.567 0.000 3.102 557 I HA 0.409 4.571 4.170 -0.012 0.000 0.310 557 I C -0.697 175.189 176.117 -0.385 0.000 1.246 557 I CA -1.293 59.821 61.300 -0.309 0.000 0.979 557 I CB 2.197 40.093 38.000 -0.172 0.000 1.267 557 I HN 0.607 nan 8.210 nan 0.000 0.451 558 N N 3.602 122.266 118.700 -0.060 0.000 2.457 558 N HA 0.496 5.228 4.740 -0.012 0.000 0.250 558 N C -2.171 173.425 175.510 0.144 0.000 0.982 558 N CA -2.564 50.510 53.050 0.039 0.000 0.941 558 N CB 1.384 39.919 38.487 0.078 0.000 1.120 558 N HN 0.354 nan 8.380 nan 0.000 0.505 559 P HA 0.049 nan 4.420 nan 0.000 0.239 559 P C -0.099 177.134 177.300 -0.112 0.000 1.184 559 P CA 0.922 64.026 63.100 0.007 0.000 0.760 559 P CB 0.161 31.873 31.700 0.020 0.000 0.884 560 N N -1.202 117.486 118.700 -0.020 0.000 2.356 560 N HA -0.002 4.731 4.740 -0.012 0.000 0.178 560 N C 0.635 176.153 175.510 0.014 0.000 1.075 560 N CA -0.074 52.966 53.050 -0.017 0.000 0.889 560 N CB 0.098 38.599 38.487 0.022 0.000 0.999 560 N HN 0.122 nan 8.380 nan 0.000 0.464 561 S N 0.324 116.041 115.700 0.027 0.000 2.617 561 S HA 0.147 4.610 4.470 -0.012 0.000 0.259 561 S C 0.091 174.640 174.600 -0.084 0.000 1.301 561 S CA -0.773 57.439 58.200 0.021 0.000 0.984 561 S CB 0.799 64.038 63.200 0.065 0.000 0.954 561 S HN 0.165 nan 8.310 nan 0.000 0.572 562 L N 1.335 122.382 121.223 -0.294 0.000 2.319 562 L HA 0.389 4.722 4.340 -0.012 0.000 0.280 562 L C -0.878 175.958 176.870 -0.057 0.000 1.099 562 L CA -0.581 53.883 54.840 -0.627 0.000 0.828 562 L CB -0.037 41.388 42.059 -1.057 0.000 1.150 562 L HN 0.707 nan 8.230 nan 0.000 0.442 563 F N 4.090 123.897 119.950 -0.239 0.000 2.423 563 F HA 0.093 4.613 4.527 -0.011 0.000 0.356 563 F C 0.404 176.126 175.800 -0.131 0.000 1.170 563 F CA -0.823 57.104 58.000 -0.121 0.000 1.163 563 F CB 0.538 39.516 39.000 -0.038 0.000 1.318 563 F HN 0.513 nan 8.300 nan 0.000 0.569 564 D N 4.790 125.182 120.400 -0.013 0.000 2.411 564 D HA 0.219 4.851 4.640 -0.012 0.000 0.225 564 D C -0.982 175.246 176.300 -0.119 0.000 1.156 564 D CA 0.030 53.975 54.000 -0.091 0.000 0.874 564 D CB 1.278 42.014 40.800 -0.106 0.000 1.034 564 D HN 0.255 nan 8.370 nan 0.000 0.502 565 V N 2.901 122.728 119.914 -0.145 0.000 2.656 565 V HA 0.556 4.668 4.120 -0.012 0.000 0.307 565 V C -1.385 174.561 176.094 -0.247 0.000 1.051 565 V CA -0.695 61.504 62.300 -0.168 0.000 0.893 565 V CB 1.923 33.693 31.823 -0.088 0.000 0.999 565 V HN 0.510 nan 8.190 nan 0.000 0.426 566 Q N 4.600 124.268 119.800 -0.220 0.000 2.394 566 Q HA 0.643 4.975 4.340 -0.012 0.000 0.261 566 Q C -1.466 174.370 176.000 -0.274 0.000 1.023 566 Q CA -0.630 55.032 55.803 -0.235 0.000 0.720 566 Q CB 1.841 30.468 28.738 -0.185 0.000 1.241 566 Q HN 1.139 nan 8.270 nan 0.000 0.483 567 V N 2.107 121.845 119.914 -0.294 0.000 2.444 567 V HA 0.855 4.968 4.120 -0.012 0.000 0.294 567 V C -0.811 175.005 176.094 -0.463 0.000 1.022 567 V CA -0.548 61.389 62.300 -0.606 0.000 0.850 567 V CB 1.263 32.476 31.823 -1.017 0.000 0.992 567 V HN 0.786 nan 8.190 nan 0.000 0.426 568 K N 2.731 122.911 120.400 -0.367 0.000 2.931 568 K HA 0.398 4.710 4.320 -0.012 0.000 0.292 568 K C -1.261 175.336 176.600 -0.004 0.000 1.077 568 K CA -1.036 55.215 56.287 -0.060 0.000 0.829 568 K CB 0.996 33.451 32.500 -0.075 0.000 1.488 568 K HN 0.487 nan 8.250 nan 0.000 0.358 569 R N 0.817 121.364 120.500 0.079 0.000 2.698 569 R HA 0.165 4.498 4.340 -0.012 0.000 0.266 569 R C 0.413 176.735 176.300 0.038 0.000 1.026 569 R CA -0.257 55.903 56.100 0.099 0.000 1.102 569 R CB -0.149 30.238 30.300 0.146 0.000 0.978 569 R HN 0.473 nan 8.270 nan 0.000 0.436 570 I N 3.937 124.539 120.570 0.052 0.000 2.452 570 I HA 0.099 4.262 4.170 -0.012 0.000 0.287 570 I C 0.748 176.849 176.117 -0.027 0.000 1.079 570 I CA 0.551 61.837 61.300 -0.024 0.000 1.387 570 I CB -0.178 37.794 38.000 -0.047 0.000 1.404 570 I HN 0.322 nan 8.210 nan 0.000 0.522 571 H N 4.936 123.898 119.070 -0.180 0.000 2.996 571 H HA 0.235 4.783 4.556 -0.012 0.000 0.368 571 H C 0.369 175.574 175.328 -0.206 0.000 1.185 571 H CA -0.391 55.584 56.048 -0.121 0.000 1.160 571 H CB 2.059 31.701 29.762 -0.200 0.000 1.820 571 H HN 0.572 nan 8.280 nan 0.000 0.547 572 E N 1.794 122.052 120.200 0.096 0.000 2.110 572 E HA -0.212 4.131 4.350 -0.012 0.000 0.193 572 E C 1.343 177.753 176.600 -0.317 0.000 0.988 572 E CA 1.542 57.963 56.400 0.035 0.000 0.804 572 E CB 0.014 29.915 29.700 0.334 0.000 0.745 572 E HN 0.555 nan 8.360 nan 0.000 0.458 573 Y N 0.828 120.710 120.300 -0.697 0.000 2.373 573 Y HA 0.003 4.546 4.550 -0.013 0.000 0.293 573 Y C 1.543 177.186 175.900 -0.427 0.000 1.129 573 Y CA 0.699 58.144 58.100 -1.092 0.000 1.226 573 Y CB 0.005 37.804 38.460 -1.102 0.000 1.000 573 Y HN -0.216 nan 8.280 nan 0.000 0.549 574 K N 1.036 120.976 120.400 -0.766 0.000 2.366 574 K HA -0.000 4.313 4.320 -0.012 0.000 0.198 574 K C 0.219 176.648 176.600 -0.285 0.000 1.044 574 K CA 0.752 56.700 56.287 -0.564 0.000 0.973 574 K CB -0.195 31.978 32.500 -0.545 0.000 0.767 574 K HN 0.414 nan 8.250 nan 0.000 0.475 575 R N 0.793 121.158 120.500 -0.225 0.000 3.336 575 R HA -0.192 4.141 4.340 -0.012 0.000 0.260 575 R C 0.609 176.833 176.300 -0.128 0.000 1.032 575 R CA 0.233 56.252 56.100 -0.136 0.000 0.693 575 R CB -1.951 28.282 30.300 -0.111 0.000 1.134 575 R HN 0.228 nan 8.270 nan 0.000 0.433 576 Q N 0.191 119.915 119.800 -0.127 0.000 2.226 576 Q HA -0.041 4.292 4.340 -0.012 0.000 0.204 576 Q C 1.843 177.795 176.000 -0.080 0.000 0.975 576 Q CA 1.374 57.114 55.803 -0.104 0.000 0.866 576 Q CB 0.058 28.739 28.738 -0.096 0.000 0.915 576 Q HN 0.599 nan 8.270 nan 0.000 0.440 577 L N -0.615 120.564 121.223 -0.074 0.000 2.093 577 L HA -0.174 4.158 4.340 -0.012 0.000 0.208 577 L C 1.982 178.850 176.870 -0.003 0.000 1.085 577 L CA 0.551 55.360 54.840 -0.051 0.000 0.755 577 L CB -0.305 41.733 42.059 -0.035 0.000 0.904 577 L HN 0.317 nan 8.230 nan 0.000 0.435 578 L N -0.028 121.184 121.223 -0.019 0.000 2.083 578 L HA -0.234 4.099 4.340 -0.012 0.000 0.209 578 L C 1.992 178.894 176.870 0.054 0.000 1.083 578 L CA 1.905 56.742 54.840 -0.004 0.000 0.752 578 L CB -0.813 41.144 42.059 -0.170 0.000 0.899 578 L HN 0.283 nan 8.230 nan 0.000 0.433 579 N N -1.812 116.893 118.700 0.010 0.000 2.166 579 N HA -0.225 4.508 4.740 -0.012 0.000 0.186 579 N C 1.938 177.537 175.510 0.149 0.000 1.019 579 N CA 1.455 54.592 53.050 0.145 0.000 0.856 579 N CB -0.131 38.378 38.487 0.036 0.000 0.993 579 N HN 0.486 nan 8.380 nan 0.000 0.426 580 C N 0.479 119.803 119.300 0.040 0.000 2.429 580 C HA -0.047 4.405 4.460 -0.012 0.000 0.277 580 C C 2.567 177.566 174.990 0.014 0.000 1.262 580 C CA 0.332 59.330 59.018 -0.034 0.000 1.733 580 C CB -1.199 26.468 27.740 -0.122 0.000 2.010 580 C HN 0.522 nan 8.230 nan 0.000 0.483 581 L N -0.266 121.027 121.223 0.116 0.000 2.079 581 L HA -0.209 4.124 4.340 -0.012 0.000 0.210 581 L C 2.734 179.777 176.870 0.287 0.000 1.081 581 L CA 1.841 56.804 54.840 0.205 0.000 0.752 581 L CB -1.059 41.197 42.059 0.328 0.000 0.896 581 L HN 0.611 nan 8.230 nan 0.000 0.433 582 H N -0.183 119.012 119.070 0.208 0.000 2.326 582 H HA -0.129 4.419 4.556 -0.012 0.000 0.301 582 H C 2.236 177.571 175.328 0.011 0.000 1.081 582 H CA 1.847 57.938 56.048 0.071 0.000 1.334 582 H CB 0.316 30.068 29.762 -0.017 0.000 1.385 582 H HN 0.087 nan 8.280 nan 0.000 0.504 583 V N 1.524 121.366 119.914 -0.121 0.000 2.332 583 V HA -0.270 3.843 4.120 -0.012 0.000 0.248 583 V C 2.811 178.848 176.094 -0.095 0.000 1.055 583 V CA 1.887 64.077 62.300 -0.184 0.000 1.038 583 V CB -0.501 31.263 31.823 -0.099 0.000 0.651 583 V HN 0.388 nan 8.190 nan 0.000 0.450 584 I N -0.379 120.176 120.570 -0.026 0.000 2.394 584 I HA -0.199 3.964 4.170 -0.012 0.000 0.251 584 I C 2.469 178.663 176.117 0.129 0.000 1.136 584 I CA 1.520 62.879 61.300 0.098 0.000 1.425 584 I CB -0.533 37.509 38.000 0.070 0.000 1.079 584 I HN 0.315 nan 8.210 nan 0.000 0.425 585 T N 1.073 115.652 114.554 0.042 0.000 2.708 585 T HA -0.139 4.204 4.350 -0.012 0.000 0.266 585 T C 1.875 176.542 174.700 -0.056 0.000 1.037 585 T CA 1.156 63.270 62.100 0.023 0.000 1.146 585 T CB -0.232 68.667 68.868 0.051 0.000 0.865 585 T HN 0.069 nan 8.240 nan 0.000 0.435 586 L N 0.281 121.400 121.223 -0.173 0.000 2.013 586 L HA -0.080 4.252 4.340 -0.012 0.000 0.212 586 L C 2.098 178.933 176.870 -0.058 0.000 1.073 586 L CA 1.673 56.406 54.840 -0.179 0.000 0.753 586 L CB -1.084 40.803 42.059 -0.288 0.000 0.890 586 L HN 0.379 nan 8.230 nan 0.000 0.432 587 Y N 0.161 120.404 120.300 -0.096 0.000 2.145 587 Y HA -0.295 4.247 4.550 -0.013 0.000 0.286 587 Y C 2.429 178.313 175.900 -0.027 0.000 1.145 587 Y CA 1.859 59.941 58.100 -0.030 0.000 1.148 587 Y CB -0.085 38.406 38.460 0.051 0.000 0.981 587 Y HN 0.289 nan 8.280 nan 0.000 0.507 588 N N 0.380 119.033 118.700 -0.078 0.000 2.244 588 N HA -0.125 4.607 4.740 -0.012 0.000 0.183 588 N C 1.784 177.182 175.510 -0.187 0.000 1.016 588 N CA 1.413 54.355 53.050 -0.180 0.000 0.866 588 N CB -0.315 38.134 38.487 -0.063 0.000 0.980 588 N HN 0.445 nan 8.380 nan 0.000 0.430 589 R N 0.268 120.686 120.500 -0.137 0.000 2.092 589 R HA 0.106 4.439 4.340 -0.012 0.000 0.231 589 R C 2.172 178.386 176.300 -0.143 0.000 1.119 589 R CA 0.673 56.700 56.100 -0.121 0.000 0.970 589 R CB -0.207 30.034 30.300 -0.099 0.000 0.864 589 R HN 0.214 nan 8.270 nan 0.000 0.440 590 I N 0.997 121.461 120.570 -0.176 0.000 2.252 590 I HA -0.263 3.900 4.170 -0.012 0.000 0.245 590 I C 1.991 177.990 176.117 -0.197 0.000 1.102 590 I CA 1.213 62.410 61.300 -0.171 0.000 1.385 590 I CB -0.094 37.807 38.000 -0.165 0.000 1.064 590 I HN 0.012 nan 8.210 nan 0.000 0.414 591 K N 0.677 120.894 120.400 -0.305 0.000 2.280 591 K HA -0.192 4.121 4.320 -0.012 0.000 0.202 591 K C 1.967 178.463 176.600 -0.173 0.000 1.047 591 K CA 0.984 57.104 56.287 -0.278 0.000 0.942 591 K CB -0.222 32.027 32.500 -0.419 0.000 0.739 591 K HN 0.164 nan 8.250 nan 0.000 0.457 592 K N 1.878 122.185 120.400 -0.156 0.000 2.044 592 K HA -0.059 4.253 4.320 -0.012 0.000 0.204 592 K C 0.176 176.727 176.600 -0.082 0.000 1.049 592 K CA 1.222 57.444 56.287 -0.108 0.000 0.945 592 K CB 0.325 32.766 32.500 -0.099 0.000 0.724 592 K HN 0.060 nan 8.250 nan 0.000 0.440 593 E N 0.832 120.984 120.200 -0.081 0.000 3.037 593 E HA 0.180 4.522 4.350 -0.012 0.000 0.220 593 E C -2.319 174.246 176.600 -0.058 0.000 1.142 593 E CA -1.792 54.574 56.400 -0.057 0.000 0.888 593 E CB 1.515 31.188 29.700 -0.045 0.000 1.329 593 E HN 0.109 nan 8.360 nan 0.000 0.409 594 P HA -0.181 nan 4.420 nan 0.000 0.216 594 P C 0.368 177.653 177.300 -0.025 0.000 1.153 594 P CA 1.334 64.405 63.100 -0.049 0.000 0.858 594 P CB 0.147 31.823 31.700 -0.040 0.000 0.789 595 N N -1.112 117.581 118.700 -0.011 0.000 2.362 595 N HA 0.006 4.739 4.740 -0.012 0.000 0.204 595 N C 0.486 176.014 175.510 0.029 0.000 1.166 595 N CA 0.073 53.129 53.050 0.011 0.000 0.831 595 N CB -0.098 38.395 38.487 0.010 0.000 1.008 595 N HN 0.090 nan 8.380 nan 0.000 0.472 596 K N 0.996 121.407 120.400 0.018 0.000 2.130 596 K HA 0.167 4.479 4.320 -0.012 0.000 0.268 596 K C -0.992 175.649 176.600 0.068 0.000 0.983 596 K CA -0.606 55.706 56.287 0.042 0.000 0.893 596 K CB 0.723 33.228 32.500 0.008 0.000 1.066 596 K HN -0.049 nan 8.250 nan 0.000 0.450 597 F N 4.491 124.429 119.950 -0.020 0.000 2.412 597 F HA 0.274 4.793 4.527 -0.013 0.000 0.348 597 F C -0.505 175.282 175.800 -0.022 0.000 1.102 597 F CA -0.174 57.815 58.000 -0.018 0.000 1.196 597 F CB 0.732 39.724 39.000 -0.014 0.000 1.144 597 F HN 0.192 nan 8.300 nan 0.000 0.541 598 V N 3.893 123.202 119.914 -1.009 0.000 2.925 598 V HA 0.539 4.652 4.120 -0.012 0.000 0.311 598 V C -0.826 174.640 176.094 -1.045 0.000 1.104 598 V CA -1.239 60.616 62.300 -0.741 0.000 0.954 598 V CB 0.954 32.553 31.823 -0.374 0.000 1.022 598 V HN 0.584 nan 8.190 nan 0.000 0.427 599 V N 4.380 123.960 119.914 -0.557 0.000 2.485 599 V HA 0.212 4.324 4.120 -0.012 0.000 0.287 599 V C -1.823 174.110 176.094 -0.268 0.000 1.022 599 V CA -0.510 61.603 62.300 -0.312 0.000 1.067 599 V CB 0.432 32.204 31.823 -0.085 0.000 0.967 599 V HN 0.907 nan 8.190 nan 0.000 0.479 600 P HA 0.382 nan 4.420 nan 0.000 0.268 600 P C -0.463 176.756 177.300 -0.134 0.000 1.205 600 P CA -0.153 62.867 63.100 -0.134 0.000 0.771 600 P CB 0.591 32.261 31.700 -0.051 0.000 0.858 601 R N 0.621 121.053 120.500 -0.112 0.000 2.698 601 R HA 0.616 4.949 4.340 -0.012 0.000 0.275 601 R C -0.903 175.364 176.300 -0.056 0.000 1.001 601 R CA -0.600 55.434 56.100 -0.110 0.000 0.896 601 R CB 1.993 32.208 30.300 -0.141 0.000 1.218 601 R HN 0.277 nan 8.270 nan 0.000 0.462 602 T N 1.880 116.418 114.554 -0.025 0.000 2.864 602 T HA 0.214 4.557 4.350 -0.012 0.000 0.310 602 T C -0.890 173.733 174.700 -0.128 0.000 1.040 602 T CA -0.549 61.505 62.100 -0.077 0.000 0.977 602 T CB 1.091 69.885 68.868 -0.124 0.000 0.976 602 T HN 0.345 nan 8.240 nan 0.000 0.459 603 V N 4.982 124.824 119.914 -0.120 0.000 2.383 603 V HA 0.701 4.814 4.120 -0.012 0.000 0.275 603 V C -0.533 175.478 176.094 -0.139 0.000 1.036 603 V CA -0.645 61.584 62.300 -0.118 0.000 0.889 603 V CB 0.779 32.553 31.823 -0.081 0.000 0.985 603 V HN 0.855 nan 8.190 nan 0.000 0.459 604 M N 7.439 126.940 119.600 -0.165 0.000 2.227 604 M HA 0.606 5.078 4.480 -0.012 0.000 0.335 604 M C -0.927 175.255 176.300 -0.197 0.000 1.053 604 M CA -0.222 54.969 55.300 -0.180 0.000 0.973 604 M CB 1.953 34.435 32.600 -0.197 0.000 1.623 604 M HN 0.533 nan 8.290 nan 0.000 0.434 605 I N 1.986 122.427 120.570 -0.215 0.000 2.466 605 I HA 0.796 4.958 4.170 -0.012 0.000 0.289 605 I C 0.072 175.871 176.117 -0.530 0.000 1.026 605 I CA -0.608 60.541 61.300 -0.251 0.000 1.078 605 I CB 2.211 40.156 38.000 -0.092 0.000 1.249 605 I HN 0.803 nan 8.210 nan 0.000 0.429 606 G N 3.082 111.531 108.800 -0.586 0.000 2.690 606 G HA2 0.842 4.795 3.960 -0.012 0.000 0.293 606 G HA3 0.842 4.795 3.960 -0.012 0.000 0.293 606 G C -1.018 173.579 174.900 -0.505 0.000 1.399 606 G CA -0.835 43.769 45.100 -0.827 0.000 0.890 606 G HN 0.965 nan 8.290 nan 0.000 0.485 607 G N -0.361 108.281 108.800 -0.265 0.000 2.368 607 G HA2 0.422 4.375 3.960 -0.012 0.000 0.303 607 G HA3 0.422 4.375 3.960 -0.012 0.000 0.303 607 G C -1.427 173.590 174.900 0.195 0.000 1.590 607 G CA -1.013 44.103 45.100 0.027 0.000 0.938 607 G HN 0.592 nan 8.290 nan 0.000 0.675 608 K N -0.114 120.403 120.400 0.195 0.000 2.110 608 K HA 0.754 5.067 4.320 -0.012 0.000 0.263 608 K C 0.205 176.944 176.600 0.231 0.000 0.975 608 K CA -0.250 56.172 56.287 0.226 0.000 0.895 608 K CB 2.001 34.539 32.500 0.064 0.000 1.060 608 K HN 0.859 nan 8.250 nan 0.000 0.448 609 A N 1.663 124.655 122.820 0.287 0.000 2.317 609 A HA 0.650 4.962 4.320 -0.012 0.000 0.327 609 A C -0.450 177.317 177.584 0.305 0.000 1.178 609 A CA -0.710 51.442 52.037 0.192 0.000 0.817 609 A CB 1.031 20.066 19.000 0.057 0.000 1.189 609 A HN 0.786 nan 8.150 nan 0.000 0.489 610 A N 3.669 126.656 122.820 0.279 0.000 2.498 610 A HA 0.474 4.787 4.320 -0.012 0.000 0.239 610 A C -1.380 176.289 177.584 0.143 0.000 1.068 610 A CA -0.792 51.405 52.037 0.267 0.000 0.766 610 A CB -0.341 18.781 19.000 0.204 0.000 1.003 610 A HN 0.602 nan 8.150 nan 0.000 0.497 611 P HA -0.145 nan 4.420 nan 0.000 0.216 611 P C 1.397 178.686 177.300 -0.019 0.000 1.150 611 P CA 2.015 65.058 63.100 -0.095 0.000 0.843 611 P CB 0.165 31.748 31.700 -0.196 0.000 0.787 612 G N -2.885 105.921 108.800 0.011 0.000 2.880 612 G HA2 -0.130 3.822 3.960 -0.012 0.000 0.209 612 G HA3 -0.130 3.822 3.960 -0.012 0.000 0.209 612 G C 0.060 174.989 174.900 0.048 0.000 1.157 612 G CA -0.177 44.930 45.100 0.011 0.000 0.779 612 G HN 0.307 nan 8.290 nan 0.000 0.539 613 Y N 2.037 122.272 120.300 -0.108 0.000 2.594 613 Y HA 0.099 4.641 4.550 -0.013 0.000 0.344 613 Y C 1.791 177.667 175.900 -0.040 0.000 1.185 613 Y CA -0.920 57.099 58.100 -0.134 0.000 1.565 613 Y CB 0.009 38.360 38.460 -0.182 0.000 1.415 613 Y HN 0.307 nan 8.280 nan 0.000 0.488 614 H N 3.809 122.988 119.070 0.182 0.000 2.319 614 H HA -0.230 4.319 4.556 -0.012 0.000 0.299 614 H C 1.840 177.198 175.328 0.050 0.000 1.092 614 H CA 2.261 58.364 56.048 0.091 0.000 1.302 614 H CB 0.361 30.168 29.762 0.075 0.000 1.373 614 H HN 0.693 nan 8.280 nan 0.000 0.497 615 M N 1.065 120.631 119.600 -0.058 0.000 2.117 615 M HA -0.059 4.413 4.480 -0.012 0.000 0.262 615 M C 2.578 178.630 176.300 -0.414 0.000 1.065 615 M CA 1.836 57.020 55.300 -0.194 0.000 1.114 615 M CB -0.861 31.774 32.600 0.059 0.000 1.361 615 M HN 0.339 nan 8.290 nan 0.000 0.408 616 A N -0.532 121.792 122.820 -0.827 0.000 1.972 616 A HA -0.189 4.123 4.320 -0.012 0.000 0.219 616 A C 2.189 179.564 177.584 -0.349 0.000 1.169 616 A CA 1.805 53.390 52.037 -0.754 0.000 0.635 616 A CB -0.649 17.670 19.000 -1.135 0.000 0.810 616 A HN 0.594 nan 8.150 nan 0.000 0.446 617 K N -1.237 119.014 120.400 -0.248 0.000 2.217 617 K HA 0.024 4.337 4.320 -0.012 0.000 0.202 617 K C 1.816 178.377 176.600 -0.066 0.000 1.051 617 K CA 0.935 57.171 56.287 -0.085 0.000 0.952 617 K CB -0.149 32.361 32.500 0.018 0.000 0.736 617 K HN 0.326 nan 8.250 nan 0.000 0.453 618 M N 0.519 120.027 119.600 -0.154 0.000 2.200 618 M HA -0.049 4.424 4.480 -0.012 0.000 0.265 618 M C 2.045 178.287 176.300 -0.096 0.000 1.066 618 M CA 1.365 56.615 55.300 -0.083 0.000 1.127 618 M CB -0.475 32.036 32.600 -0.147 0.000 1.379 618 M HN 0.115 nan 8.290 nan 0.000 0.420 619 I N -0.368 120.105 120.570 -0.161 0.000 2.315 619 I HA -0.283 3.879 4.170 -0.012 0.000 0.248 619 I C 2.249 178.238 176.117 -0.213 0.000 1.117 619 I CA 0.947 62.142 61.300 -0.175 0.000 1.404 619 I CB -0.247 37.647 38.000 -0.177 0.000 1.071 619 I HN 0.162 nan 8.210 nan 0.000 0.419 620 I N 0.698 121.123 120.570 -0.242 0.000 2.286 620 I HA -0.293 3.870 4.170 -0.012 0.000 0.248 620 I C 2.551 178.369 176.117 -0.498 0.000 1.115 620 I CA 1.162 62.222 61.300 -0.400 0.000 1.392 620 I CB -0.225 37.532 38.000 -0.405 0.000 1.065 620 I HN 0.149 nan 8.210 nan 0.000 0.418 621 K N 1.406 121.537 120.400 -0.449 0.000 2.097 621 K HA -0.115 4.198 4.320 -0.012 0.000 0.205 621 K C 1.974 178.406 176.600 -0.280 0.000 1.050 621 K CA 1.381 57.324 56.287 -0.574 0.000 0.938 621 K CB -0.500 31.399 32.500 -1.002 0.000 0.718 621 K HN 0.230 nan 8.250 nan 0.000 0.442 622 L N 0.312 121.397 121.223 -0.230 0.000 2.027 622 L HA -0.133 4.200 4.340 -0.012 0.000 0.206 622 L C 2.146 178.773 176.870 -0.404 0.000 1.074 622 L CA 1.583 56.131 54.840 -0.486 0.000 0.745 622 L CB -0.296 41.415 42.059 -0.581 0.000 0.898 622 L HN 0.222 nan 8.230 nan 0.000 0.433 623 I N -0.015 120.368 120.570 -0.312 0.000 2.163 623 I HA -0.354 3.809 4.170 -0.012 0.000 0.243 623 I C 2.610 178.605 176.117 -0.203 0.000 1.085 623 I CA 2.045 63.212 61.300 -0.222 0.000 1.347 623 I CB -0.650 37.295 38.000 -0.092 0.000 1.044 623 I HN 0.428 nan 8.210 nan 0.000 0.408 624 T N -0.956 113.443 114.554 -0.259 0.000 2.915 624 T HA -0.025 4.317 4.350 -0.012 0.000 0.269 624 T C 1.922 176.538 174.700 -0.140 0.000 1.071 624 T CA 0.871 62.853 62.100 -0.196 0.000 1.132 624 T CB -0.358 68.347 68.868 -0.272 0.000 0.878 624 T HN 0.349 nan 8.240 nan 0.000 0.479 625 A N 1.480 124.210 122.820 -0.149 0.000 1.898 625 A HA 0.178 4.491 4.320 -0.012 0.000 0.216 625 A C 2.334 179.902 177.584 -0.026 0.000 1.181 625 A CA 1.172 53.186 52.037 -0.038 0.000 0.620 625 A CB -0.749 18.296 19.000 0.076 0.000 0.819 625 A HN 0.572 nan 8.150 nan 0.000 0.442 626 I N -0.243 120.210 120.570 -0.195 0.000 2.252 626 I HA -0.178 3.984 4.170 -0.012 0.000 0.245 626 I C 2.678 178.733 176.117 -0.104 0.000 1.102 626 I CA 1.144 62.315 61.300 -0.216 0.000 1.385 626 I CB -0.519 37.242 38.000 -0.398 0.000 1.064 626 I HN 0.381 nan 8.210 nan 0.000 0.414 627 G N 0.208 108.941 108.800 -0.112 0.000 2.432 627 G HA2 -0.239 3.714 3.960 -0.012 0.000 0.219 627 G HA3 -0.239 3.714 3.960 -0.012 0.000 0.219 627 G C 1.270 176.115 174.900 -0.090 0.000 1.135 627 G CA 0.848 45.887 45.100 -0.102 0.000 0.767 627 G HN 0.277 nan 8.290 nan 0.000 0.550 628 D N 0.148 120.539 120.400 -0.015 0.000 2.117 628 D HA -0.082 4.550 4.640 -0.012 0.000 0.197 628 D C 2.758 179.124 176.300 0.110 0.000 0.987 628 D CA 0.741 54.799 54.000 0.096 0.000 0.829 628 D CB -0.281 40.564 40.800 0.075 0.000 0.961 628 D HN 0.227 nan 8.370 nan 0.000 0.460 629 V N 0.489 120.402 119.914 -0.002 0.000 2.255 629 V HA -0.166 3.946 4.120 -0.012 0.000 0.243 629 V C 2.676 178.687 176.094 -0.138 0.000 1.038 629 V CA 0.925 63.169 62.300 -0.094 0.000 1.008 629 V CB -0.492 31.206 31.823 -0.208 0.000 0.645 629 V HN 0.023 nan 8.190 nan 0.000 0.449 630 V N 0.959 120.728 119.914 -0.241 0.000 2.332 630 V HA -0.238 3.874 4.120 -0.012 0.000 0.248 630 V C 2.131 178.158 176.094 -0.112 0.000 1.055 630 V CA 2.140 64.308 62.300 -0.220 0.000 1.038 630 V CB -0.919 30.778 31.823 -0.211 0.000 0.651 630 V HN 0.573 nan 8.190 nan 0.000 0.450 631 N N -0.542 118.018 118.700 -0.233 0.000 2.550 631 N HA -0.068 4.665 4.740 -0.012 0.000 0.186 631 N C 1.143 176.354 175.510 -0.499 0.000 1.110 631 N CA 0.841 53.667 53.050 -0.372 0.000 0.912 631 N CB -0.252 37.931 38.487 -0.507 0.000 0.968 631 N HN 0.705 nan 8.380 nan 0.000 0.448 632 H N -1.732 117.345 119.070 0.013 0.000 2.785 632 H HA 0.207 4.756 4.556 -0.012 0.000 0.268 632 H C -0.582 174.768 175.328 0.037 0.000 1.153 632 H CA -0.496 55.562 56.048 0.018 0.000 1.111 632 H CB 0.733 30.494 29.762 -0.001 0.000 1.633 632 H HN -0.036 nan 8.280 nan 0.000 0.576 633 D N 1.833 122.309 120.400 0.126 0.000 2.339 633 D HA 0.050 4.683 4.640 -0.012 0.000 0.241 633 D C -1.629 174.737 176.300 0.110 0.000 1.183 633 D CA -2.108 51.984 54.000 0.152 0.000 0.859 633 D CB 1.710 42.675 40.800 0.276 0.000 1.067 633 D HN 0.116 nan 8.370 nan 0.000 0.484 634 P HA -0.111 nan 4.420 nan 0.000 0.218 634 P C 1.586 178.914 177.300 0.048 0.000 1.149 634 P CA 0.327 63.464 63.100 0.062 0.000 0.817 634 P CB 0.444 32.174 31.700 0.051 0.000 0.785 635 V N -0.524 119.418 119.914 0.046 0.000 2.515 635 V HA -0.162 3.950 4.120 -0.012 0.000 0.250 635 V C 2.445 178.549 176.094 0.016 0.000 1.058 635 V CA 1.467 63.779 62.300 0.020 0.000 1.064 635 V CB -0.938 30.885 31.823 -0.000 0.000 0.675 635 V HN -0.019 nan 8.190 nan 0.000 0.461 636 V N -0.255 119.686 119.914 0.044 0.000 2.453 636 V HA 0.098 4.210 4.120 -0.012 0.000 0.247 636 V C 1.775 177.885 176.094 0.027 0.000 1.048 636 V CA 1.474 63.800 62.300 0.043 0.000 1.049 636 V CB -1.166 30.728 31.823 0.119 0.000 0.672 636 V HN 0.734 nan 8.190 nan 0.000 0.457 637 G N 1.468 110.290 108.800 0.036 0.000 2.550 637 G HA2 -0.401 3.551 3.960 -0.012 0.000 0.277 637 G HA3 -0.401 3.551 3.960 -0.012 0.000 0.277 637 G C 0.240 175.158 174.900 0.030 0.000 1.190 637 G CA 0.587 45.706 45.100 0.033 0.000 0.971 637 G HN 0.735 nan 8.290 nan 0.000 0.559 638 D N -0.168 120.251 120.400 0.032 0.000 2.358 638 D HA 0.332 4.965 4.640 -0.012 0.000 0.224 638 D C 1.837 178.144 176.300 0.010 0.000 1.123 638 D CA 0.206 54.227 54.000 0.035 0.000 0.833 638 D CB 0.133 40.970 40.800 0.062 0.000 0.946 638 D HN 0.571 nan 8.370 nan 0.000 0.505 639 R N -0.619 119.874 120.500 -0.012 0.000 2.200 639 R HA 0.276 4.609 4.340 -0.012 0.000 0.208 639 R C -0.206 176.059 176.300 -0.060 0.000 1.033 639 R CA 0.273 56.340 56.100 -0.055 0.000 1.000 639 R CB 0.203 30.450 30.300 -0.088 0.000 0.906 639 R HN 0.167 nan 8.270 nan 0.000 0.462 640 L N 0.740 121.945 121.223 -0.030 0.000 2.580 640 L HA 0.376 4.709 4.340 -0.012 0.000 0.266 640 L C -1.609 175.241 176.870 -0.032 0.000 0.955 640 L CA -0.512 54.307 54.840 -0.034 0.000 0.886 640 L CB 1.636 43.688 42.059 -0.013 0.000 1.263 640 L HN -0.126 nan 8.230 nan 0.000 0.406 641 R N 4.134 124.602 120.500 -0.053 0.000 2.561 641 R HA 0.742 5.075 4.340 -0.012 0.000 0.297 641 R C -1.472 174.775 176.300 -0.088 0.000 0.969 641 R CA -0.828 55.230 56.100 -0.071 0.000 0.879 641 R CB 2.365 32.625 30.300 -0.067 0.000 1.178 641 R HN 0.381 nan 8.270 nan 0.000 0.445 642 V N 5.040 124.896 119.914 -0.096 0.000 2.357 642 V HA 0.467 4.579 4.120 -0.012 0.000 0.284 642 V C -0.113 175.935 176.094 -0.077 0.000 1.018 642 V CA -0.627 61.618 62.300 -0.092 0.000 0.841 642 V CB 1.503 33.266 31.823 -0.100 0.000 0.991 642 V HN 0.574 nan 8.190 nan 0.000 0.437 643 I N 4.803 125.329 120.570 -0.074 0.000 2.465 643 I HA 0.452 4.615 4.170 -0.012 0.000 0.291 643 I C -0.830 175.271 176.117 -0.027 0.000 1.014 643 I CA -0.397 60.870 61.300 -0.053 0.000 1.093 643 I CB 2.089 40.032 38.000 -0.095 0.000 1.267 643 I HN 0.570 nan 8.210 nan 0.000 0.431 644 F N 7.500 127.381 119.950 -0.114 0.000 2.391 644 F HA 0.462 4.982 4.527 -0.012 0.000 0.359 644 F C -0.750 174.978 175.800 -0.120 0.000 1.122 644 F CA -0.759 57.174 58.000 -0.113 0.000 1.120 644 F CB 0.642 39.581 39.000 -0.102 0.000 1.142 644 F HN 0.133 nan 8.300 nan 0.000 0.483 645 L N 5.956 126.774 121.223 -0.675 0.000 2.385 645 L HA 0.157 4.490 4.340 -0.012 0.000 0.281 645 L C 0.349 176.907 176.870 -0.519 0.000 1.106 645 L CA 0.151 54.702 54.840 -0.481 0.000 0.856 645 L CB 0.081 41.942 42.059 -0.330 0.000 1.186 645 L HN 0.630 nan 8.230 nan 0.000 0.453 646 E N 3.098 123.119 120.200 -0.299 0.000 2.373 646 E HA -0.023 4.320 4.350 -0.012 0.000 0.267 646 E C 0.492 177.123 176.600 0.052 0.000 1.032 646 E CA -0.215 56.163 56.400 -0.037 0.000 0.889 646 E CB 0.315 30.009 29.700 -0.011 0.000 0.984 646 E HN 0.522 nan 8.360 nan 0.000 0.425 647 N N 2.451 121.253 118.700 0.170 0.000 2.705 647 N HA -0.288 4.444 4.740 -0.012 0.000 0.255 647 N C -1.543 174.055 175.510 0.147 0.000 1.008 647 N CA 0.531 53.685 53.050 0.174 0.000 0.742 647 N CB -1.338 37.278 38.487 0.214 0.000 0.906 647 N HN 0.433 nan 8.380 nan 0.000 0.541 648 Y N 1.479 121.772 120.300 -0.012 0.000 2.632 648 Y HA 0.176 4.719 4.550 -0.013 0.000 0.329 648 Y C 1.124 177.032 175.900 0.013 0.000 1.174 648 Y CA 0.403 58.483 58.100 -0.033 0.000 1.469 648 Y CB 0.303 38.710 38.460 -0.089 0.000 1.242 648 Y HN 0.375 nan 8.280 nan 0.000 0.540 649 R N 2.479 122.661 120.500 -0.530 0.000 2.844 649 R HA 0.482 4.815 4.340 -0.012 0.000 0.264 649 R C -0.214 175.741 176.300 -0.575 0.000 1.077 649 R CA -0.651 55.187 56.100 -0.437 0.000 0.953 649 R CB 0.346 30.586 30.300 -0.100 0.000 1.272 649 R HN 0.348 nan 8.270 nan 0.000 0.447 650 V N 1.085 120.693 119.914 -0.510 0.000 2.282 650 V HA -0.299 3.813 4.120 -0.012 0.000 0.249 650 V C 2.582 178.552 176.094 -0.207 0.000 1.057 650 V CA 2.872 64.945 62.300 -0.378 0.000 1.032 650 V CB -0.811 30.735 31.823 -0.462 0.000 0.645 650 V HN 0.943 nan 8.190 nan 0.000 0.447 651 S N 0.044 115.641 115.700 -0.171 0.000 2.399 651 S HA -0.169 4.294 4.470 -0.012 0.000 0.231 651 S C 1.919 176.473 174.600 -0.077 0.000 1.022 651 S CA 1.629 59.763 58.200 -0.111 0.000 0.983 651 S CB -0.504 62.661 63.200 -0.059 0.000 0.803 651 S HN 0.393 nan 8.310 nan 0.000 0.480 652 L N 1.947 123.127 121.223 -0.073 0.000 2.156 652 L HA 0.363 4.695 4.340 -0.012 0.000 0.208 652 L C 2.610 179.477 176.870 -0.006 0.000 1.095 652 L CA 1.325 56.158 54.840 -0.010 0.000 0.770 652 L CB -1.375 40.731 42.059 0.077 0.000 0.914 652 L HN 0.342 nan 8.230 nan 0.000 0.439 653 A N -0.610 122.183 122.820 -0.044 0.000 1.902 653 A HA -0.220 4.093 4.320 -0.012 0.000 0.217 653 A C 2.109 179.729 177.584 0.061 0.000 1.181 653 A CA 1.710 53.789 52.037 0.070 0.000 0.623 653 A CB -0.617 18.399 19.000 0.026 0.000 0.818 653 A HN 0.588 nan 8.150 nan 0.000 0.443 654 E N -0.453 119.782 120.200 0.058 0.000 2.333 654 E HA -0.158 4.184 4.350 -0.012 0.000 0.198 654 E C 1.765 178.331 176.600 -0.057 0.000 1.007 654 E CA 1.102 57.506 56.400 0.007 0.000 0.845 654 E CB -0.033 29.590 29.700 -0.129 0.000 0.766 654 E HN 0.628 nan 8.360 nan 0.000 0.507 655 K N -0.210 120.131 120.400 -0.097 0.000 2.214 655 K HA -0.008 4.305 4.320 -0.012 0.000 0.201 655 K C 2.174 178.565 176.600 -0.349 0.000 1.049 655 K CA 0.818 57.026 56.287 -0.131 0.000 0.978 655 K CB 0.388 32.813 32.500 -0.125 0.000 0.842 655 K HN -0.005 nan 8.250 nan 0.000 0.474 656 V N 0.626 120.236 119.914 -0.508 0.000 2.407 656 V HA -0.147 3.966 4.120 -0.012 0.000 0.245 656 V C 2.184 178.017 176.094 -0.436 0.000 1.041 656 V CA 1.189 63.001 62.300 -0.814 0.000 1.040 656 V CB -0.763 30.710 31.823 -0.584 0.000 0.671 656 V HN 0.166 nan 8.190 nan 0.000 0.455 657 I N 1.028 121.379 120.570 -0.365 0.000 2.151 657 I HA -0.157 4.006 4.170 -0.012 0.000 0.243 657 I C -0.035 175.946 176.117 -0.228 0.000 1.080 657 I CA 1.929 62.936 61.300 -0.488 0.000 1.339 657 I CB -1.641 35.960 38.000 -0.664 0.000 1.039 657 I HN 0.367 nan 8.210 nan 0.000 0.409 658 P HA -0.106 nan 4.420 nan 0.000 0.222 658 P C 0.909 178.204 177.300 -0.007 0.000 1.147 658 P CA 1.300 64.371 63.100 -0.049 0.000 0.790 658 P CB 0.011 31.693 31.700 -0.029 0.000 0.780 659 A N -1.325 121.476 122.820 -0.032 0.000 2.308 659 A HA 0.516 4.829 4.320 -0.012 0.000 0.217 659 A C 1.147 178.849 177.584 0.197 0.000 1.216 659 A CA 0.058 52.140 52.037 0.076 0.000 0.864 659 A CB -0.601 18.460 19.000 0.103 0.000 0.902 659 A HN 0.202 nan 8.150 nan 0.000 0.499 660 A N -0.313 122.609 122.820 0.169 0.000 2.340 660 A HA 0.511 4.824 4.320 -0.012 0.000 0.268 660 A C 0.333 178.066 177.584 0.247 0.000 1.100 660 A CA -0.187 52.012 52.037 0.269 0.000 0.803 660 A CB 0.432 19.677 19.000 0.408 0.000 1.043 660 A HN 0.242 nan 8.150 nan 0.000 0.488 661 D N 0.088 120.628 120.400 0.234 0.000 2.525 661 D HA 0.136 4.769 4.640 -0.012 0.000 0.248 661 D C -0.034 176.447 176.300 0.303 0.000 1.000 661 D CA 0.644 54.822 54.000 0.297 0.000 0.923 661 D CB 0.282 41.178 40.800 0.160 0.000 1.101 661 D HN 0.342 nan 8.370 nan 0.000 0.493 662 L N 1.389 122.680 121.223 0.114 0.000 2.325 662 L HA 0.299 4.631 4.340 -0.012 0.000 0.281 662 L C -0.685 176.041 176.870 -0.239 0.000 1.004 662 L CA -0.265 54.560 54.840 -0.025 0.000 0.823 662 L CB 1.933 43.950 42.059 -0.069 0.000 1.236 662 L HN -0.149 nan 8.230 nan 0.000 0.415 663 S N 4.529 119.991 115.700 -0.396 0.000 2.429 663 S HA 0.329 4.791 4.470 -0.012 0.000 0.302 663 S C -0.376 173.924 174.600 -0.500 0.000 1.115 663 S CA -0.675 57.030 58.200 -0.826 0.000 1.095 663 S CB 0.719 63.340 63.200 -0.966 0.000 0.987 663 S HN 0.565 nan 8.310 nan 0.000 0.474 664 E N 4.206 124.132 120.200 -0.456 0.000 2.046 664 E HA 0.206 4.549 4.350 -0.012 0.000 0.279 664 E C -0.553 175.935 176.600 -0.186 0.000 0.989 664 E CA -0.454 55.811 56.400 -0.225 0.000 0.798 664 E CB 1.019 30.622 29.700 -0.162 0.000 1.086 664 E HN 0.616 nan 8.360 nan 0.000 0.399 665 Q N 2.870 122.612 119.800 -0.096 0.000 2.965 665 Q HA 0.255 4.587 4.340 -0.012 0.000 0.288 665 Q C 0.694 176.680 176.000 -0.022 0.000 0.974 665 Q CA -0.140 55.622 55.803 -0.068 0.000 0.849 665 Q CB 0.216 28.926 28.738 -0.046 0.000 1.280 665 Q HN 0.618 nan 8.270 nan 0.000 0.441 666 I N -1.500 119.047 120.570 -0.038 0.000 3.731 666 I HA 0.257 4.419 4.170 -0.012 0.000 0.341 666 I C 0.292 176.358 176.117 -0.086 0.000 1.532 666 I CA -0.578 60.708 61.300 -0.023 0.000 1.163 666 I CB 0.132 38.126 38.000 -0.010 0.000 1.339 666 I HN -0.021 nan 8.210 nan 0.000 0.449 667 S N 0.427 116.076 115.700 -0.086 0.000 2.593 667 S HA 0.229 4.692 4.470 -0.012 0.000 0.269 667 S C 0.526 175.105 174.600 -0.035 0.000 1.334 667 S CA -0.329 57.837 58.200 -0.056 0.000 1.015 667 S CB 0.637 63.851 63.200 0.022 0.000 0.912 667 S HN 0.396 nan 8.310 nan 0.000 0.541 668 T N 2.646 117.214 114.554 0.023 0.000 2.853 668 T HA 0.399 4.742 4.350 -0.012 0.000 0.298 668 T C 0.731 175.441 174.700 0.018 0.000 0.978 668 T CA 0.215 62.338 62.100 0.037 0.000 1.152 668 T CB -0.019 68.945 68.868 0.161 0.000 0.914 668 T HN 0.999 nan 8.240 nan 0.000 0.539 669 A N 2.925 125.724 122.820 -0.034 0.000 2.591 669 A HA 0.422 4.735 4.320 -0.012 0.000 0.244 669 A C 1.666 179.244 177.584 -0.011 0.000 1.031 669 A CA 0.388 52.402 52.037 -0.039 0.000 0.767 669 A CB -0.918 18.047 19.000 -0.059 0.000 0.942 669 A HN 1.683 nan 8.150 nan 0.000 0.514 670 G N 1.406 110.198 108.800 -0.013 0.000 2.176 670 G HA2 -0.251 3.702 3.960 -0.012 0.000 0.232 670 G HA3 -0.251 3.702 3.960 -0.012 0.000 0.232 670 G C 0.964 175.853 174.900 -0.019 0.000 0.986 670 G CA 1.112 46.206 45.100 -0.010 0.000 0.643 670 G HN 2.048 nan 8.290 nan 0.000 0.522 671 T N -2.290 112.249 114.554 -0.025 0.000 3.023 671 T HA 0.396 4.738 4.350 -0.012 0.000 0.249 671 T C 0.783 175.324 174.700 -0.265 0.000 1.050 671 T CA 1.146 63.161 62.100 -0.141 0.000 1.088 671 T CB 0.533 69.350 68.868 -0.086 0.000 0.946 671 T HN 0.302 nan 8.240 nan 0.000 0.480 672 E N 1.405 121.579 120.200 -0.043 0.000 2.001 672 E HA 0.666 5.008 4.350 -0.012 0.000 0.279 672 E C 1.231 177.788 176.600 -0.072 0.000 1.045 672 E CA 0.065 56.483 56.400 0.029 0.000 0.833 672 E CB 0.675 30.450 29.700 0.124 0.000 1.077 672 E HN 0.328 nan 8.360 nan 0.000 0.397 673 A N 3.440 126.149 122.820 -0.185 0.000 1.915 673 A HA -0.280 4.033 4.320 -0.012 0.000 0.220 673 A C 1.981 179.448 177.584 -0.196 0.000 1.198 673 A CA 2.505 54.313 52.037 -0.382 0.000 0.647 673 A CB -0.343 18.288 19.000 -0.616 0.000 0.825 673 A HN 0.626 nan 8.150 nan 0.000 0.456 674 S N -4.441 111.200 115.700 -0.098 0.000 4.428 674 S HA 0.446 4.909 4.470 -0.012 0.000 0.199 674 S C 0.648 175.232 174.600 -0.026 0.000 1.156 674 S CA 1.338 59.518 58.200 -0.033 0.000 1.134 674 S CB -0.164 63.035 63.200 -0.001 0.000 1.531 674 S HN 2.385 nan 8.310 nan 0.000 0.551 675 G N 0.262 109.051 108.800 -0.017 0.000 2.705 675 G HA2 -0.004 3.949 3.960 -0.012 0.000 0.686 675 G HA3 -0.004 3.949 3.960 -0.012 0.000 0.686 675 G C 0.205 175.079 174.900 -0.044 0.000 1.285 675 G CA 0.452 45.538 45.100 -0.023 0.000 0.800 675 G HN 1.357 nan 8.290 nan 0.000 0.611 676 T N -1.985 112.529 114.554 -0.066 0.000 3.029 676 T HA 0.378 4.720 4.350 -0.012 0.000 0.256 676 T C 2.315 176.910 174.700 -0.176 0.000 0.914 676 T CA 1.198 63.230 62.100 -0.114 0.000 0.880 676 T CB 0.398 69.194 68.868 -0.121 0.000 1.246 676 T HN 1.849 nan 8.240 nan 0.000 0.523 677 G N 3.090 111.814 108.800 -0.126 0.000 2.432 677 G HA2 -0.230 3.723 3.960 -0.012 0.000 0.219 677 G HA3 -0.230 3.723 3.960 -0.012 0.000 0.219 677 G C 1.444 176.386 174.900 0.069 0.000 1.135 677 G CA 1.097 46.140 45.100 -0.096 0.000 0.767 677 G HN 0.810 nan 8.290 nan 0.000 0.550 678 N N 0.268 118.989 118.700 0.034 0.000 2.104 678 N HA -0.157 4.576 4.740 -0.012 0.000 0.190 678 N C 2.202 177.712 175.510 0.000 0.000 1.024 678 N CA 1.366 54.440 53.050 0.039 0.000 0.853 678 N CB -0.377 38.086 38.487 -0.039 0.000 1.008 678 N HN 0.339 nan 8.380 nan 0.000 0.424 679 M N 0.671 120.202 119.600 -0.115 0.000 2.229 679 M HA -0.015 4.457 4.480 -0.012 0.000 0.264 679 M C 1.958 178.205 176.300 -0.088 0.000 1.063 679 M CA 1.372 56.586 55.300 -0.144 0.000 1.114 679 M CB -0.089 32.420 32.600 -0.151 0.000 1.387 679 M HN 0.114 nan 8.290 nan 0.000 0.420 680 K N 0.108 120.392 120.400 -0.194 0.000 2.057 680 K HA -0.083 4.230 4.320 -0.012 0.000 0.206 680 K C 1.693 178.176 176.600 -0.194 0.000 1.050 680 K CA 1.336 57.440 56.287 -0.305 0.000 0.935 680 K CB -0.210 31.887 32.500 -0.672 0.000 0.715 680 K HN 0.146 nan 8.250 nan 0.000 0.439 681 F N 1.092 120.967 119.950 -0.126 0.000 2.146 681 F HA -0.121 4.398 4.527 -0.013 0.000 0.298 681 F C 2.529 178.298 175.800 -0.052 0.000 1.096 681 F CA 1.173 59.123 58.000 -0.083 0.000 1.275 681 F CB -0.277 38.663 39.000 -0.099 0.000 1.008 681 F HN -0.002 nan 8.300 nan 0.000 0.480 682 M N -0.435 119.248 119.600 0.138 0.000 2.117 682 M HA -0.191 4.282 4.480 -0.012 0.000 0.262 682 M C 2.068 178.423 176.300 0.091 0.000 1.065 682 M CA 1.590 56.945 55.300 0.091 0.000 1.114 682 M CB -0.217 32.437 32.600 0.091 0.000 1.361 682 M HN 0.274 nan 8.290 nan 0.000 0.408 683 L N 0.618 121.893 121.223 0.086 0.000 2.291 683 L HA -0.038 4.294 4.340 -0.012 0.000 0.214 683 L C 1.290 178.202 176.870 0.071 0.000 1.120 683 L CA 1.485 56.381 54.840 0.092 0.000 0.799 683 L CB -0.516 41.608 42.059 0.107 0.000 0.925 683 L HN 0.324 nan 8.230 nan 0.000 0.446 684 N N -0.059 118.674 118.700 0.054 0.000 2.235 684 N HA 0.168 4.900 4.740 -0.012 0.000 0.209 684 N C 0.793 176.335 175.510 0.053 0.000 1.122 684 N CA 0.782 53.857 53.050 0.041 0.000 0.845 684 N CB 0.543 39.031 38.487 0.002 0.000 1.004 684 N HN 0.401 nan 8.380 nan 0.000 0.499 685 G N 0.541 109.377 108.800 0.061 0.000 2.165 685 G HA2 -0.181 3.771 3.960 -0.012 0.000 0.226 685 G HA3 -0.181 3.771 3.960 -0.012 0.000 0.226 685 G C -0.054 174.907 174.900 0.102 0.000 1.035 685 G CA 0.159 45.296 45.100 0.061 0.000 0.744 685 G HN 0.520 nan 8.290 nan 0.000 0.501 686 A N -0.732 122.156 122.820 0.114 0.000 2.330 686 A HA 0.920 5.232 4.320 -0.012 0.000 0.329 686 A C -0.306 177.275 177.584 -0.006 0.000 1.135 686 A CA -0.716 51.404 52.037 0.138 0.000 0.817 686 A CB 1.523 20.670 19.000 0.245 0.000 1.269 686 A HN 0.808 nan 8.150 nan 0.000 0.469 687 L N 0.555 121.736 121.223 -0.068 0.000 2.360 687 L HA 0.588 4.921 4.340 -0.012 0.000 0.271 687 L C 0.380 177.113 176.870 -0.229 0.000 1.057 687 L CA 0.381 55.083 54.840 -0.231 0.000 0.803 687 L CB 1.747 43.568 42.059 -0.397 0.000 1.207 687 L HN 0.738 nan 8.230 nan 0.000 0.445 688 T N 4.066 118.375 114.554 -0.409 0.000 2.771 688 T HA 0.512 4.855 4.350 -0.012 0.000 0.281 688 T C -0.252 174.321 174.700 -0.211 0.000 0.982 688 T CA -0.160 61.684 62.100 -0.426 0.000 0.978 688 T CB 0.860 69.302 68.868 -0.709 0.000 0.930 688 T HN 0.440 nan 8.240 nan 0.000 0.447 689 I N 3.108 123.638 120.570 -0.067 0.000 2.330 689 I HA 0.709 4.872 4.170 -0.012 0.000 0.289 689 I C 0.129 176.398 176.117 0.253 0.000 1.001 689 I CA 0.078 61.456 61.300 0.129 0.000 1.193 689 I CB 0.232 38.224 38.000 -0.013 0.000 1.345 689 I HN 0.791 nan 8.210 nan 0.000 0.461 690 G N 4.073 113.105 108.800 0.386 0.000 2.606 690 G HA2 0.477 4.430 3.960 -0.012 0.000 0.300 690 G HA3 0.477 4.430 3.960 -0.012 0.000 0.300 690 G C -0.953 173.883 174.900 -0.108 0.000 1.360 690 G CA -0.302 44.943 45.100 0.241 0.000 0.783 690 G HN 0.555 nan 8.290 nan 0.000 0.484 691 T N -1.801 112.575 114.554 -0.295 0.000 2.912 691 T HA 0.556 4.898 4.350 -0.012 0.000 0.280 691 T C 0.551 175.142 174.700 -0.181 0.000 0.989 691 T CA -0.733 61.115 62.100 -0.420 0.000 0.995 691 T CB 1.332 69.953 68.868 -0.411 0.000 1.077 691 T HN 0.244 nan 8.240 nan 0.000 0.531 692 M N 2.863 122.363 119.600 -0.166 0.000 3.436 692 M HA 0.348 4.820 4.480 -0.012 0.000 0.240 692 M C -0.534 175.714 176.300 -0.087 0.000 1.469 692 M CA -0.126 55.110 55.300 -0.107 0.000 1.622 692 M CB -1.707 30.838 32.600 -0.093 0.000 1.098 692 M HN 0.728 nan 8.290 nan 0.000 0.568 693 D N 0.000 120.355 120.400 -0.075 0.000 2.671 693 D HA 0.672 5.304 4.640 -0.012 0.000 0.232 693 D C 0.689 176.967 176.300 -0.036 0.000 1.114 693 D CA 0.728 54.698 54.000 -0.050 0.000 0.858 693 D CB 1.744 42.515 40.800 -0.048 0.000 1.544 693 D HN 0.612 nan 8.370 nan 0.000 0.471 694 G N 1.950 110.738 108.800 -0.020 0.000 2.614 694 G HA2 -0.248 3.705 3.960 -0.012 0.000 0.303 694 G HA3 -0.248 3.705 3.960 -0.012 0.000 0.303 694 G C 1.017 175.908 174.900 -0.015 0.000 1.270 694 G CA 1.013 46.105 45.100 -0.012 0.000 0.988 694 G HN 1.072 nan 8.290 nan 0.000 0.551 695 A N -0.270 122.534 122.820 -0.027 0.000 2.206 695 A HA 0.130 4.442 4.320 -0.012 0.000 0.211 695 A C 2.079 179.595 177.584 -0.114 0.000 1.158 695 A CA 1.788 53.800 52.037 -0.041 0.000 0.761 695 A CB -0.437 18.521 19.000 -0.070 0.000 0.801 695 A HN 0.610 nan 8.150 nan 0.000 0.473 696 N N 0.448 119.090 118.700 -0.095 0.000 2.137 696 N HA -0.147 4.585 4.740 -0.012 0.000 0.190 696 N C 1.569 176.953 175.510 -0.211 0.000 1.017 696 N CA 1.588 54.578 53.050 -0.100 0.000 0.859 696 N CB -0.512 37.962 38.487 -0.021 0.000 1.002 696 N HN 0.294 nan 8.380 nan 0.000 0.428 697 V N 1.118 120.950 119.914 -0.137 0.000 2.343 697 V HA -0.188 3.925 4.120 -0.012 0.000 0.247 697 V C 1.917 177.935 176.094 -0.127 0.000 1.051 697 V CA 1.604 63.821 62.300 -0.139 0.000 1.036 697 V CB -0.464 31.314 31.823 -0.076 0.000 0.654 697 V HN 0.334 nan 8.190 nan 0.000 0.451 698 E N -0.590 119.591 120.200 -0.031 0.000 2.208 698 E HA -0.122 4.221 4.350 -0.012 0.000 0.193 698 E C 2.184 178.894 176.600 0.184 0.000 0.988 698 E CA 0.986 57.443 56.400 0.095 0.000 0.828 698 E CB -0.150 29.691 29.700 0.236 0.000 0.763 698 E HN 0.550 nan 8.360 nan 0.000 0.478 699 M N 0.179 119.776 119.600 -0.005 0.000 2.156 699 M HA -0.079 4.394 4.480 -0.012 0.000 0.264 699 M C 2.421 178.493 176.300 -0.380 0.000 1.067 699 M CA 1.366 56.622 55.300 -0.074 0.000 1.131 699 M CB -0.039 32.407 32.600 -0.256 0.000 1.368 699 M HN 0.123 nan 8.290 nan 0.000 0.416 700 A N -0.069 122.210 122.820 -0.903 0.000 1.969 700 A HA -0.188 4.125 4.320 -0.012 0.000 0.218 700 A C 1.974 179.350 177.584 -0.346 0.000 1.169 700 A CA 1.767 53.210 52.037 -0.991 0.000 0.635 700 A CB -0.732 17.695 19.000 -0.954 0.000 0.810 700 A HN 0.588 nan 8.150 nan 0.000 0.445 701 E N -0.388 119.679 120.200 -0.221 0.000 2.150 701 E HA -0.184 4.158 4.350 -0.012 0.000 0.193 701 E C 1.567 178.135 176.600 -0.053 0.000 0.985 701 E CA 1.106 57.444 56.400 -0.104 0.000 0.814 701 E CB -0.030 29.628 29.700 -0.070 0.000 0.752 701 E HN 0.550 nan 8.360 nan 0.000 0.466 702 E N -0.008 120.185 120.200 -0.013 0.000 2.122 702 E HA -0.033 4.310 4.350 -0.012 0.000 0.190 702 E C 1.770 178.393 176.600 0.038 0.000 0.977 702 E CA 0.954 57.369 56.400 0.026 0.000 0.820 702 E CB 0.115 29.872 29.700 0.095 0.000 0.770 702 E HN 0.350 nan 8.360 nan 0.000 0.462 703 A N 0.530 123.382 122.820 0.053 0.000 2.081 703 A HA 0.369 4.681 4.320 -0.012 0.000 0.214 703 A C 1.025 178.634 177.584 0.040 0.000 1.158 703 A CA 1.026 53.114 52.037 0.084 0.000 0.724 703 A CB 0.112 19.232 19.000 0.201 0.000 0.826 703 A HN 0.223 nan 8.150 nan 0.000 0.463 704 G N -0.613 108.184 108.800 -0.006 0.000 3.067 704 G HA2 -0.086 3.866 3.960 -0.012 0.000 0.686 704 G HA3 -0.086 3.866 3.960 -0.012 0.000 0.686 704 G C -0.068 174.820 174.900 -0.020 0.000 1.119 704 G CA -0.013 45.075 45.100 -0.020 0.000 0.790 704 G HN 0.225 nan 8.290 nan 0.000 0.605 705 E N 0.716 120.890 120.200 -0.044 0.000 2.265 705 E HA -0.128 4.215 4.350 -0.012 0.000 0.196 705 E C 2.048 178.635 176.600 -0.022 0.000 0.996 705 E CA 1.683 58.064 56.400 -0.031 0.000 0.832 705 E CB 0.090 29.765 29.700 -0.041 0.000 0.756 705 E HN 0.765 nan 8.360 nan 0.000 0.491 706 E N 0.572 120.746 120.200 -0.044 0.000 2.204 706 E HA -0.086 4.257 4.350 -0.012 0.000 0.194 706 E C 0.985 177.494 176.600 -0.153 0.000 0.989 706 E CA 0.674 57.023 56.400 -0.085 0.000 0.824 706 E CB 0.039 29.703 29.700 -0.060 0.000 0.756 706 E HN 0.147 nan 8.360 nan 0.000 0.477 707 N N -0.288 118.356 118.700 -0.093 0.000 2.276 707 N HA 0.134 4.866 4.740 -0.012 0.000 0.212 707 N C -0.934 174.498 175.510 -0.129 0.000 1.127 707 N CA 0.137 53.106 53.050 -0.135 0.000 0.834 707 N CB 0.367 38.833 38.487 -0.036 0.000 1.014 707 N HN 0.043 nan 8.380 nan 0.000 0.491 708 F N -0.408 119.333 119.950 -0.348 0.000 2.576 708 F HA 0.403 4.922 4.527 -0.013 0.000 0.313 708 F C -0.799 174.780 175.800 -0.369 0.000 1.078 708 F CA -1.083 56.756 58.000 -0.268 0.000 0.921 708 F CB 1.388 40.320 39.000 -0.114 0.000 1.232 708 F HN -0.219 nan 8.300 nan 0.000 0.459 709 F N 5.115 125.077 119.950 0.020 0.000 2.318 709 F HA 0.434 4.954 4.527 -0.012 0.000 0.356 709 F C -0.351 175.584 175.800 0.226 0.000 1.109 709 F CA -0.475 57.572 58.000 0.078 0.000 1.234 709 F CB 0.000 38.988 39.000 -0.020 0.000 1.545 709 F HN 0.053 nan 8.300 nan 0.000 0.534 710 I N 3.442 124.221 120.570 0.348 0.000 2.499 710 I HA 0.437 4.599 4.170 -0.012 0.000 0.296 710 I C -0.096 176.215 176.117 0.324 0.000 0.992 710 I CA -0.398 61.071 61.300 0.282 0.000 1.297 710 I CB 0.715 38.800 38.000 0.141 0.000 1.410 710 I HN 0.376 nan 8.210 nan 0.000 0.507 711 F N 2.627 122.644 119.950 0.113 0.000 2.831 711 F HA 0.886 5.405 4.527 -0.013 0.000 0.318 711 F C 0.114 175.958 175.800 0.074 0.000 1.174 711 F CA -0.595 57.463 58.000 0.096 0.000 0.918 711 F CB 0.485 39.557 39.000 0.119 0.000 1.364 711 F HN 0.858 nan 8.300 nan 0.000 0.475 712 G N 0.884 109.768 108.800 0.140 0.000 2.804 712 G HA2 -0.159 3.794 3.960 -0.012 0.000 0.230 712 G HA3 -0.159 3.794 3.960 -0.012 0.000 0.230 712 G C -0.668 174.203 174.900 -0.048 0.000 1.386 712 G CA -0.381 44.722 45.100 0.006 0.000 0.875 712 G HN 0.970 nan 8.290 nan 0.000 0.557 713 M N 0.612 120.196 119.600 -0.027 0.000 2.252 713 M HA 0.239 4.712 4.480 -0.012 0.000 0.333 713 M C 1.222 177.488 176.300 -0.057 0.000 1.111 713 M CA 0.166 55.456 55.300 -0.017 0.000 1.140 713 M CB 0.350 32.949 32.600 -0.002 0.000 1.538 713 M HN 0.567 nan 8.290 nan 0.000 0.448 714 R N 1.376 121.856 120.500 -0.033 0.000 2.606 714 R HA 0.348 4.680 4.340 -0.012 0.000 0.249 714 R C 1.141 177.422 176.300 -0.032 0.000 1.127 714 R CA -0.699 55.376 56.100 -0.043 0.000 1.133 714 R CB -0.134 30.148 30.300 -0.030 0.000 1.243 714 R HN 0.558 nan 8.270 nan 0.000 0.558 715 V N 1.440 121.335 119.914 -0.032 0.000 2.287 715 V HA -0.268 3.844 4.120 -0.012 0.000 0.248 715 V C 1.885 177.969 176.094 -0.017 0.000 1.053 715 V CA 2.049 64.334 62.300 -0.026 0.000 1.027 715 V CB -0.431 31.374 31.823 -0.029 0.000 0.646 715 V HN 0.612 nan 8.190 nan 0.000 0.447 716 E N 0.216 120.408 120.200 -0.014 0.000 2.118 716 E HA -0.206 4.136 4.350 -0.012 0.000 0.195 716 E C 1.951 178.555 176.600 0.007 0.000 0.992 716 E CA 1.510 57.907 56.400 -0.005 0.000 0.804 716 E CB -0.401 29.297 29.700 -0.003 0.000 0.741 716 E HN 0.655 nan 8.360 nan 0.000 0.458 717 D N -0.256 120.150 120.400 0.011 0.000 2.144 717 D HA -0.102 4.530 4.640 -0.012 0.000 0.200 717 D C 1.956 178.274 176.300 0.030 0.000 0.978 717 D CA 0.933 54.950 54.000 0.028 0.000 0.833 717 D CB -0.006 40.814 40.800 0.034 0.000 0.961 717 D HN 0.085 nan 8.370 nan 0.000 0.470 718 V N 1.935 121.854 119.914 0.009 0.000 2.343 718 V HA -0.207 3.906 4.120 -0.012 0.000 0.247 718 V C 1.992 178.090 176.094 0.005 0.000 1.051 718 V CA 1.675 63.973 62.300 -0.003 0.000 1.036 718 V CB -0.373 31.438 31.823 -0.020 0.000 0.654 718 V HN 0.032 nan 8.190 nan 0.000 0.451 719 D N -0.307 120.097 120.400 0.005 0.000 2.117 719 D HA -0.129 4.504 4.640 -0.012 0.000 0.198 719 D C 2.362 178.676 176.300 0.024 0.000 0.982 719 D CA 1.088 55.093 54.000 0.008 0.000 0.828 719 D CB -0.235 40.565 40.800 0.000 0.000 0.967 719 D HN 0.285 nan 8.370 nan 0.000 0.464 720 R N 0.271 120.789 120.500 0.031 0.000 2.083 720 R HA -0.057 4.275 4.340 -0.012 0.000 0.237 720 R C 2.448 178.786 176.300 0.063 0.000 1.137 720 R CA 0.685 56.810 56.100 0.042 0.000 0.951 720 R CB -0.395 29.932 30.300 0.045 0.000 0.851 720 R HN 0.174 nan 8.270 nan 0.000 0.434 721 L N 0.440 121.710 121.223 0.079 0.000 2.131 721 L HA -0.207 4.126 4.340 -0.012 0.000 0.210 721 L C 1.281 178.222 176.870 0.119 0.000 1.092 721 L CA 1.394 56.309 54.840 0.125 0.000 0.759 721 L CB -0.239 41.912 42.059 0.154 0.000 0.903 721 L HN 0.290 nan 8.230 nan 0.000 0.435 722 D N -0.990 119.454 120.400 0.073 0.000 2.194 722 D HA -0.138 4.495 4.640 -0.012 0.000 0.204 722 D C 2.268 178.601 176.300 0.055 0.000 0.964 722 D CA 0.652 54.689 54.000 0.061 0.000 0.846 722 D CB 0.131 40.946 40.800 0.026 0.000 0.962 722 D HN 0.372 nan 8.370 nan 0.000 0.490 723 Q N 0.642 120.470 119.800 0.047 0.000 1.993 723 Q HA -0.108 4.225 4.340 -0.012 0.000 0.202 723 Q C 2.274 178.302 176.000 0.048 0.000 0.984 723 Q CA 0.818 56.645 55.803 0.039 0.000 0.837 723 Q CB -0.458 28.300 28.738 0.033 0.000 0.902 723 Q HN 0.279 nan 8.270 nan 0.000 0.423 724 R N 0.312 120.847 120.500 0.059 0.000 2.096 724 R HA -0.092 4.241 4.340 -0.012 0.000 0.240 724 R C 0.230 176.572 176.300 0.070 0.000 1.139 724 R CA 1.318 57.456 56.100 0.063 0.000 0.952 724 R CB -0.203 30.144 30.300 0.077 0.000 0.854 724 R HN 0.438 nan 8.270 nan 0.000 0.436 725 G N -0.634 108.224 108.800 0.097 0.000 3.363 725 G HA2 -0.222 3.730 3.960 -0.012 0.000 0.685 725 G HA3 -0.222 3.730 3.960 -0.012 0.000 0.685 725 G C -1.406 173.591 174.900 0.162 0.000 1.199 725 G CA -0.468 44.697 45.100 0.109 0.000 0.946 725 G HN 0.300 nan 8.290 nan 0.000 0.558 726 Y N 3.790 124.128 120.300 0.062 0.000 2.436 726 Y HA 0.569 5.112 4.550 -0.012 0.000 0.343 726 Y C 0.367 176.328 175.900 0.101 0.000 1.008 726 Y CA -0.834 57.322 58.100 0.092 0.000 1.241 726 Y CB 0.936 39.429 38.460 0.055 0.000 1.153 726 Y HN 0.562 nan 8.280 nan 0.000 0.521 727 N N 5.174 123.620 118.700 -0.422 0.000 2.569 727 N HA 0.276 5.009 4.740 -0.012 0.000 0.254 727 N C 0.119 175.380 175.510 -0.415 0.000 1.004 727 N CA 0.285 53.126 53.050 -0.349 0.000 0.904 727 N CB 1.549 39.963 38.487 -0.122 0.000 1.165 727 N HN 0.882 nan 8.380 nan 0.000 0.513 728 A N 3.012 125.521 122.820 -0.519 0.000 2.019 728 A HA -0.209 4.104 4.320 -0.012 0.000 0.219 728 A C 1.947 179.676 177.584 0.241 0.000 1.164 728 A CA 1.357 53.348 52.037 -0.076 0.000 0.644 728 A CB -0.294 18.628 19.000 -0.130 0.000 0.805 728 A HN 0.755 nan 8.150 nan 0.000 0.449 729 Q N 0.220 120.050 119.800 0.050 0.000 2.112 729 Q HA -0.235 4.098 4.340 -0.012 0.000 0.206 729 Q C 1.894 177.966 176.000 0.119 0.000 0.987 729 Q CA 2.291 58.135 55.803 0.069 0.000 0.858 729 Q CB -0.342 28.392 28.738 -0.006 0.000 0.905 729 Q HN 0.763 nan 8.270 nan 0.000 0.420 730 E N -1.255 118.958 120.200 0.021 0.000 2.049 730 E HA -0.257 4.086 4.350 -0.012 0.000 0.198 730 E C 1.740 178.271 176.600 -0.116 0.000 1.007 730 E CA 1.714 58.052 56.400 -0.102 0.000 0.809 730 E CB -0.276 29.262 29.700 -0.269 0.000 0.749 730 E HN 0.573 nan 8.360 nan 0.000 0.450 731 Y N -1.098 119.248 120.300 0.077 0.000 2.224 731 Y HA -0.250 4.292 4.550 -0.012 0.000 0.289 731 Y C 2.239 178.104 175.900 -0.058 0.000 1.146 731 Y CA 1.648 59.776 58.100 0.047 0.000 1.182 731 Y CB -0.632 37.906 38.460 0.131 0.000 0.983 731 Y HN 0.287 nan 8.280 nan 0.000 0.524 732 Y N 1.075 121.364 120.300 -0.018 0.000 2.224 732 Y HA -0.240 4.302 4.550 -0.012 0.000 0.289 732 Y C 1.874 177.720 175.900 -0.090 0.000 1.146 732 Y CA 1.704 59.720 58.100 -0.141 0.000 1.182 732 Y CB -0.346 38.082 38.460 -0.052 0.000 0.983 732 Y HN 0.063 nan 8.280 nan 0.000 0.524 733 D N -0.137 120.334 120.400 0.119 0.000 2.117 733 D HA -0.114 4.519 4.640 -0.012 0.000 0.198 733 D C 1.917 178.181 176.300 -0.061 0.000 0.982 733 D CA 1.290 55.311 54.000 0.036 0.000 0.828 733 D CB -0.119 40.719 40.800 0.064 0.000 0.967 733 D HN 0.466 nan 8.370 nan 0.000 0.464 734 R N 0.045 120.508 120.500 -0.062 0.000 2.297 734 R HA 0.205 4.537 4.340 -0.012 0.000 0.197 734 R C 0.366 176.633 176.300 -0.055 0.000 0.943 734 R CA 0.156 56.220 56.100 -0.059 0.000 1.038 734 R CB 0.621 30.886 30.300 -0.059 0.000 0.957 734 R HN 0.188 nan 8.270 nan 0.000 0.484 735 I N 2.126 122.641 120.570 -0.092 0.000 2.437 735 I HA 0.217 4.380 4.170 -0.012 0.000 0.279 735 I C -1.912 174.101 176.117 -0.173 0.000 1.028 735 I CA -2.435 58.818 61.300 -0.079 0.000 1.142 735 I CB 2.405 40.393 38.000 -0.021 0.000 1.266 735 I HN -0.271 nan 8.210 nan 0.000 0.461 736 P HA -0.146 nan 4.420 nan 0.000 0.215 736 P C 1.187 178.391 177.300 -0.160 0.000 1.153 736 P CA 1.312 64.315 63.100 -0.161 0.000 0.853 736 P CB 0.308 31.947 31.700 -0.101 0.000 0.788 737 E N -0.859 119.288 120.200 -0.089 0.000 2.077 737 E HA -0.176 4.166 4.350 -0.012 0.000 0.193 737 E C 1.883 178.400 176.600 -0.139 0.000 0.989 737 E CA 0.832 57.201 56.400 -0.052 0.000 0.800 737 E CB -0.639 29.103 29.700 0.069 0.000 0.746 737 E HN 0.117 nan 8.360 nan 0.000 0.452 738 L N 1.376 122.431 121.223 -0.280 0.000 2.056 738 L HA -0.140 4.192 4.340 -0.012 0.000 0.207 738 L C 2.398 178.999 176.870 -0.448 0.000 1.078 738 L CA 1.672 56.175 54.840 -0.562 0.000 0.749 738 L CB -0.406 41.167 42.059 -0.810 0.000 0.901 738 L HN -0.077 nan 8.230 nan 0.000 0.433 739 R N -0.773 119.424 120.500 -0.504 0.000 2.083 739 R HA -0.245 4.088 4.340 -0.012 0.000 0.237 739 R C 2.391 178.519 176.300 -0.288 0.000 1.137 739 R CA 1.983 57.684 56.100 -0.665 0.000 0.951 739 R CB -0.407 29.399 30.300 -0.822 0.000 0.851 739 R HN 0.636 nan 8.270 nan 0.000 0.434 740 Q N 0.446 120.118 119.800 -0.214 0.000 2.135 740 Q HA -0.191 4.141 4.340 -0.012 0.000 0.204 740 Q C 2.038 177.995 176.000 -0.071 0.000 0.981 740 Q CA 1.930 57.658 55.803 -0.125 0.000 0.856 740 Q CB -0.108 28.558 28.738 -0.119 0.000 0.902 740 Q HN 0.501 nan 8.270 nan 0.000 0.425 741 I N 0.058 120.589 120.570 -0.066 0.000 2.202 741 I HA -0.270 3.892 4.170 -0.012 0.000 0.242 741 I C 2.114 178.276 176.117 0.074 0.000 1.091 741 I CA 0.780 62.089 61.300 0.016 0.000 1.368 741 I CB -0.150 37.838 38.000 -0.019 0.000 1.058 741 I HN 0.223 nan 8.210 nan 0.000 0.410 742 I N 0.685 121.292 120.570 0.063 0.000 2.361 742 I HA -0.264 3.898 4.170 -0.012 0.000 0.251 742 I C 2.328 178.556 176.117 0.185 0.000 1.133 742 I CA 1.580 62.982 61.300 0.170 0.000 1.413 742 I CB -0.322 37.861 38.000 0.305 0.000 1.073 742 I HN 0.199 nan 8.210 nan 0.000 0.424 743 E N -0.434 119.854 120.200 0.147 0.000 2.285 743 E HA -0.184 4.158 4.350 -0.012 0.000 0.194 743 E C 2.046 178.718 176.600 0.120 0.000 0.997 743 E CA 0.454 56.933 56.400 0.132 0.000 0.845 743 E CB -0.031 29.724 29.700 0.092 0.000 0.782 743 E HN 0.586 nan 8.360 nan 0.000 0.491 744 Q N 0.497 120.365 119.800 0.115 0.000 2.083 744 Q HA -0.052 4.280 4.340 -0.012 0.000 0.198 744 Q C 2.268 178.467 176.000 0.331 0.000 0.969 744 Q CA 0.798 56.689 55.803 0.146 0.000 0.838 744 Q CB 0.151 28.935 28.738 0.077 0.000 0.900 744 Q HN 0.270 nan 8.270 nan 0.000 0.436 745 L N -0.349 121.080 121.223 0.342 0.000 2.027 745 L HA -0.168 4.164 4.340 -0.012 0.000 0.206 745 L C 2.428 179.486 176.870 0.314 0.000 1.074 745 L CA 0.895 55.950 54.840 0.358 0.000 0.745 745 L CB -0.373 41.813 42.059 0.212 0.000 0.898 745 L HN 0.142 nan 8.230 nan 0.000 0.433 746 S N -0.307 115.533 115.700 0.233 0.000 2.382 746 S HA -0.150 4.313 4.470 -0.012 0.000 0.228 746 S C 2.037 176.740 174.600 0.172 0.000 1.027 746 S CA 1.596 59.909 58.200 0.189 0.000 0.991 746 S CB -0.156 63.135 63.200 0.152 0.000 0.823 746 S HN 0.601 nan 8.310 nan 0.000 0.469 747 S N -0.064 115.741 115.700 0.174 0.000 2.593 747 S HA 0.362 4.824 4.470 -0.012 0.000 0.217 747 S C 1.335 176.028 174.600 0.154 0.000 0.966 747 S CA 0.726 59.013 58.200 0.145 0.000 0.914 747 S CB 0.212 63.487 63.200 0.125 0.000 0.776 747 S HN 0.743 nan 8.310 nan 0.000 0.523 748 G N 0.752 109.675 108.800 0.205 0.000 2.141 748 G HA2 -0.304 3.649 3.960 -0.012 0.000 0.231 748 G HA3 -0.304 3.649 3.960 -0.012 0.000 0.231 748 G C 0.259 175.245 174.900 0.142 0.000 0.984 748 G CA 0.121 45.328 45.100 0.178 0.000 0.660 748 G HN 0.576 nan 8.290 nan 0.000 0.525 749 F N 0.353 120.309 119.950 0.010 0.000 2.161 749 F HA 0.130 4.649 4.527 -0.013 0.000 0.300 749 F C 1.880 177.493 175.800 -0.312 0.000 1.089 749 F CA 2.151 60.039 58.000 -0.186 0.000 1.282 749 F CB -0.067 38.744 39.000 -0.315 0.000 1.010 749 F HN 0.164 nan 8.300 nan 0.000 0.485 750 F N -0.270 119.725 119.950 0.075 0.000 2.727 750 F HA 0.195 4.714 4.527 -0.012 0.000 0.302 750 F C 0.718 176.582 175.800 0.108 0.000 1.097 750 F CA 0.282 58.284 58.000 0.003 0.000 1.330 750 F CB -0.035 39.002 39.000 0.063 0.000 1.084 750 F HN -0.029 nan 8.300 nan 0.000 0.578 751 S N -1.759 114.080 115.700 0.232 0.000 2.440 751 S HA 0.325 4.787 4.470 -0.012 0.000 0.142 751 S C -2.446 172.182 174.600 0.046 0.000 1.578 751 S CA -1.093 57.189 58.200 0.138 0.000 1.260 751 S CB 0.939 64.200 63.200 0.101 0.000 1.407 751 S HN -0.190 nan 8.310 nan 0.000 0.392 752 P HA -0.167 nan 4.420 nan 0.000 0.214 752 P C 1.265 178.563 177.300 -0.003 0.000 1.169 752 P CA 1.580 64.668 63.100 -0.019 0.000 0.908 752 P CB 0.070 31.739 31.700 -0.052 0.000 0.791 753 K N -0.897 119.500 120.400 -0.004 0.000 2.097 753 K HA -0.124 4.188 4.320 -0.012 0.000 0.206 753 K C 0.719 177.321 176.600 0.003 0.000 1.049 753 K CA 1.140 57.427 56.287 0.000 0.000 0.933 753 K CB -0.318 32.183 32.500 0.003 0.000 0.717 753 K HN 0.357 nan 8.250 nan 0.000 0.442 754 Q N -0.195 119.604 119.800 -0.001 0.000 2.788 754 Q HA 0.158 4.490 4.340 -0.012 0.000 0.261 754 Q C -2.314 173.681 176.000 -0.009 0.000 1.029 754 Q CA -1.637 54.160 55.803 -0.010 0.000 0.848 754 Q CB 1.507 30.230 28.738 -0.025 0.000 1.185 754 Q HN -0.070 nan 8.270 nan 0.000 0.482 755 P HA -0.237 nan 4.420 nan 0.000 0.218 755 P C 0.593 177.932 177.300 0.065 0.000 1.146 755 P CA 1.446 64.578 63.100 0.053 0.000 0.813 755 P CB 0.221 31.953 31.700 0.052 0.000 0.778 756 D N -1.278 119.143 120.400 0.034 0.000 2.368 756 D HA -0.009 4.624 4.640 -0.012 0.000 0.218 756 D C 1.631 177.933 176.300 0.004 0.000 1.112 756 D CA -0.227 53.801 54.000 0.046 0.000 0.834 756 D CB -0.509 40.317 40.800 0.044 0.000 0.953 756 D HN 0.016 nan 8.370 nan 0.000 0.505 757 L N 0.169 121.333 121.223 -0.099 0.000 2.089 757 L HA -0.102 4.231 4.340 -0.012 0.000 0.213 757 L C 1.030 177.681 176.870 -0.365 0.000 1.079 757 L CA 1.686 56.351 54.840 -0.292 0.000 0.758 757 L CB -0.660 41.061 42.059 -0.564 0.000 0.891 757 L HN -0.011 nan 8.230 nan 0.000 0.433 758 F N -0.688 119.320 119.950 0.097 0.000 2.730 758 F HA 0.154 4.674 4.527 -0.012 0.000 0.295 758 F C 1.730 177.585 175.800 0.091 0.000 1.143 758 F CA -0.216 57.832 58.000 0.081 0.000 1.367 758 F CB -0.268 38.769 39.000 0.062 0.000 0.970 758 F HN 0.106 nan 8.300 nan 0.000 0.514 759 K N -0.812 119.706 120.400 0.197 0.000 2.148 759 K HA -0.126 4.186 4.320 -0.012 0.000 0.204 759 K C 0.971 177.676 176.600 0.174 0.000 1.050 759 K CA 1.644 58.032 56.287 0.167 0.000 0.942 759 K CB -0.122 32.452 32.500 0.122 0.000 0.724 759 K HN 0.041 nan 8.250 nan 0.000 0.446 760 D N 1.243 121.759 120.400 0.193 0.000 2.144 760 D HA -0.050 4.583 4.640 -0.012 0.000 0.200 760 D C 1.973 178.387 176.300 0.190 0.000 0.978 760 D CA 1.008 55.133 54.000 0.209 0.000 0.833 760 D CB -0.058 40.901 40.800 0.264 0.000 0.961 760 D HN 0.278 nan 8.370 nan 0.000 0.470 761 I N 0.342 121.023 120.570 0.185 0.000 2.202 761 I HA -0.211 3.951 4.170 -0.012 0.000 0.242 761 I C 2.431 178.605 176.117 0.094 0.000 1.091 761 I CA 0.584 61.961 61.300 0.128 0.000 1.368 761 I CB -0.178 37.891 38.000 0.116 0.000 1.058 761 I HN -0.130 nan 8.210 nan 0.000 0.410 762 V N 0.997 120.983 119.914 0.121 0.000 2.343 762 V HA -0.326 3.787 4.120 -0.012 0.000 0.247 762 V C 2.162 178.274 176.094 0.031 0.000 1.051 762 V CA 2.513 64.868 62.300 0.092 0.000 1.036 762 V CB -1.029 30.870 31.823 0.127 0.000 0.654 762 V HN 0.502 nan 8.190 nan 0.000 0.451 763 N N -0.428 118.323 118.700 0.084 0.000 2.069 763 N HA -0.241 4.492 4.740 -0.012 0.000 0.191 763 N C 1.996 177.488 175.510 -0.029 0.000 1.031 763 N CA 1.840 54.952 53.050 0.104 0.000 0.852 763 N CB -0.181 38.427 38.487 0.201 0.000 1.018 763 N HN 0.372 nan 8.380 nan 0.000 0.423 764 M N 0.189 119.822 119.600 0.055 0.000 2.067 764 M HA -0.142 4.330 4.480 -0.012 0.000 0.260 764 M C 1.596 177.818 176.300 -0.129 0.000 1.069 764 M CA 1.379 56.714 55.300 0.058 0.000 1.117 764 M CB -0.538 32.172 32.600 0.184 0.000 1.334 764 M HN 0.245 nan 8.290 nan 0.000 0.407 765 L N 0.913 122.044 121.223 -0.154 0.000 2.043 765 L HA -0.231 4.102 4.340 -0.012 0.000 0.212 765 L C 2.464 179.033 176.870 -0.502 0.000 1.075 765 L CA 1.747 56.375 54.840 -0.353 0.000 0.752 765 L CB -1.105 40.772 42.059 -0.303 0.000 0.891 765 L HN 0.402 nan 8.230 nan 0.000 0.432 766 M N -2.179 117.165 119.600 -0.426 0.000 2.334 766 M HA -0.049 4.424 4.480 -0.012 0.000 0.266 766 M C 1.764 177.588 176.300 -0.793 0.000 1.082 766 M CA 1.230 56.179 55.300 -0.584 0.000 1.141 766 M CB -0.650 31.507 32.600 -0.738 0.000 1.380 766 M HN 0.343 nan 8.290 nan 0.000 0.440 767 H N -1.837 117.023 119.070 -0.349 0.000 3.091 767 H HA 0.207 4.756 4.556 -0.012 0.000 0.249 767 H C 0.108 175.192 175.328 -0.405 0.000 0.985 767 H CA 0.593 56.385 56.048 -0.427 0.000 1.177 767 H CB 0.286 29.733 29.762 -0.525 0.000 1.456 767 H HN 0.538 nan 8.280 nan 0.000 0.467 768 H N -0.222 118.908 119.070 0.099 0.000 2.716 768 H HA 0.219 4.768 4.556 -0.012 0.000 0.230 768 H C -0.874 174.469 175.328 0.025 0.000 1.401 768 H CA -0.505 55.585 56.048 0.070 0.000 1.168 768 H CB 0.492 30.298 29.762 0.074 0.000 1.935 768 H HN -0.069 nan 8.280 nan 0.000 0.538 769 D N 1.413 121.846 120.400 0.054 0.000 2.393 769 D HA 0.106 4.739 4.640 -0.012 0.000 0.232 769 D C 0.932 177.157 176.300 -0.126 0.000 1.192 769 D CA -0.239 53.754 54.000 -0.011 0.000 0.882 769 D CB 0.638 41.408 40.800 -0.049 0.000 1.038 769 D HN 0.398 nan 8.370 nan 0.000 0.499 770 R N 2.318 122.644 120.500 -0.290 0.000 2.189 770 R HA -0.026 4.306 4.340 -0.012 0.000 0.218 770 R C 0.541 176.290 176.300 -0.919 0.000 1.074 770 R CA 0.790 56.499 56.100 -0.651 0.000 0.991 770 R CB 0.178 29.893 30.300 -0.974 0.000 0.883 770 R HN 0.394 nan 8.270 nan 0.000 0.457 771 F N 1.497 121.404 119.950 -0.072 0.000 2.708 771 F HA 0.207 4.727 4.527 -0.012 0.000 0.300 771 F C 0.006 175.675 175.800 -0.219 0.000 1.118 771 F CA -0.849 57.092 58.000 -0.100 0.000 1.307 771 F CB 0.086 39.090 39.000 0.007 0.000 0.986 771 F HN -0.191 nan 8.300 nan 0.000 0.522 772 K N -0.795 119.373 120.400 -0.387 0.000 4.166 772 K HA -0.209 4.103 4.320 -0.012 0.000 0.276 772 K C 0.792 177.244 176.600 -0.247 0.000 0.808 772 K CA 0.245 56.119 56.287 -0.690 0.000 0.717 772 K CB -1.887 29.982 32.500 -1.051 0.000 1.774 772 K HN 0.295 nan 8.250 nan 0.000 0.427 773 V N 0.688 120.535 119.914 -0.112 0.000 2.287 773 V HA -0.258 3.855 4.120 -0.012 0.000 0.248 773 V C 2.203 178.413 176.094 0.194 0.000 1.053 773 V CA 2.171 64.488 62.300 0.028 0.000 1.027 773 V CB -0.606 31.223 31.823 0.010 0.000 0.646 773 V HN 0.616 nan 8.190 nan 0.000 0.447 774 F N 0.236 120.183 119.950 -0.004 0.000 2.216 774 F HA -0.191 4.329 4.527 -0.013 0.000 0.300 774 F C 2.505 178.102 175.800 -0.339 0.000 1.085 774 F CA 0.625 58.573 58.000 -0.086 0.000 1.326 774 F CB -0.360 38.596 39.000 -0.072 0.000 1.027 774 F HN 0.206 nan 8.300 nan 0.000 0.497 775 A N -0.526 122.136 122.820 -0.264 0.000 2.019 775 A HA -0.192 4.120 4.320 -0.012 0.000 0.219 775 A C 1.447 179.045 177.584 0.023 0.000 1.164 775 A CA 1.862 53.682 52.037 -0.361 0.000 0.644 775 A CB -0.424 18.492 19.000 -0.140 0.000 0.805 775 A HN 0.228 nan 8.150 nan 0.000 0.449 776 D N -2.980 117.487 120.400 0.112 0.000 2.398 776 D HA 0.098 4.731 4.640 -0.012 0.000 0.210 776 D C 1.155 177.636 176.300 0.302 0.000 1.094 776 D CA -0.089 54.050 54.000 0.230 0.000 0.839 776 D CB -0.133 40.805 40.800 0.230 0.000 0.963 776 D HN 0.563 nan 8.370 nan 0.000 0.506 777 Y N 2.204 122.604 120.300 0.166 0.000 2.053 777 Y HA -0.260 4.283 4.550 -0.012 0.000 0.277 777 Y C 2.117 178.118 175.900 0.168 0.000 1.159 777 Y CA 1.991 60.200 58.100 0.181 0.000 1.125 777 Y CB 0.145 38.686 38.460 0.134 0.000 0.969 777 Y HN -0.108 nan 8.280 nan 0.000 0.492 778 E N -0.065 120.229 120.200 0.156 0.000 2.049 778 E HA -0.288 4.054 4.350 -0.012 0.000 0.198 778 E C 2.200 178.785 176.600 -0.025 0.000 1.007 778 E CA 1.729 58.140 56.400 0.017 0.000 0.809 778 E CB -0.245 29.559 29.700 0.174 0.000 0.749 778 E HN 0.630 nan 8.360 nan 0.000 0.450 779 E N -0.504 119.756 120.200 0.101 0.000 2.268 779 E HA -0.181 4.162 4.350 -0.012 0.000 0.195 779 E C 1.781 178.391 176.600 0.017 0.000 0.995 779 E CA 0.457 56.934 56.400 0.128 0.000 0.836 779 E CB 0.001 29.862 29.700 0.269 0.000 0.763 779 E HN 0.253 nan 8.360 nan 0.000 0.491 780 Y N 0.609 120.741 120.300 -0.281 0.000 2.153 780 Y HA -0.182 4.360 4.550 -0.012 0.000 0.289 780 Y C 2.182 177.700 175.900 -0.638 0.000 1.127 780 Y CA 1.496 59.116 58.100 -0.800 0.000 1.131 780 Y CB -0.580 37.470 38.460 -0.683 0.000 0.995 780 Y HN -0.037 nan 8.280 nan 0.000 0.505 781 V N -0.473 119.076 119.914 -0.607 0.000 2.626 781 V HA -0.149 3.964 4.120 -0.012 0.000 0.252 781 V C 2.142 178.008 176.094 -0.379 0.000 1.067 781 V CA 2.185 64.143 62.300 -0.569 0.000 1.081 781 V CB -0.620 30.950 31.823 -0.422 0.000 0.686 781 V HN 0.221 nan 8.190 nan 0.000 0.468 782 K N -0.042 120.195 120.400 -0.272 0.000 2.057 782 K HA -0.073 4.239 4.320 -0.012 0.000 0.206 782 K C 2.259 178.771 176.600 -0.147 0.000 1.050 782 K CA 1.927 58.124 56.287 -0.149 0.000 0.935 782 K CB -1.218 31.242 32.500 -0.067 0.000 0.715 782 K HN 0.666 nan 8.250 nan 0.000 0.439 783 C N 0.744 119.926 119.300 -0.197 0.000 2.440 783 C HA -0.051 4.402 4.460 -0.012 0.000 0.278 783 C C 2.398 177.219 174.990 -0.281 0.000 1.295 783 C CA 0.604 59.537 59.018 -0.141 0.000 1.738 783 C CB -0.653 27.016 27.740 -0.118 0.000 1.987 783 C HN 0.452 nan 8.230 nan 0.000 0.492 784 Q N 0.430 119.920 119.800 -0.516 0.000 2.170 784 Q HA -0.172 4.160 4.340 -0.012 0.000 0.203 784 Q C 1.964 177.776 176.000 -0.313 0.000 0.976 784 Q CA 1.565 57.024 55.803 -0.575 0.000 0.858 784 Q CB -0.347 27.828 28.738 -0.937 0.000 0.907 784 Q HN 0.755 nan 8.270 nan 0.000 0.433 785 E N 0.119 120.191 120.200 -0.213 0.000 2.106 785 E HA -0.125 4.218 4.350 -0.012 0.000 0.192 785 E C 2.062 178.630 176.600 -0.053 0.000 0.984 785 E CA 0.551 56.887 56.400 -0.107 0.000 0.806 785 E CB 0.093 29.747 29.700 -0.077 0.000 0.750 785 E HN 0.248 nan 8.360 nan 0.000 0.458 786 R N 0.372 120.853 120.500 -0.031 0.000 2.092 786 R HA -0.102 4.231 4.340 -0.012 0.000 0.231 786 R C 2.681 179.044 176.300 0.105 0.000 1.119 786 R CA 1.416 57.573 56.100 0.095 0.000 0.970 786 R CB -0.597 29.829 30.300 0.210 0.000 0.864 786 R HN 0.221 nan 8.270 nan 0.000 0.440 787 V N -1.122 118.667 119.914 -0.209 0.000 2.453 787 V HA -0.133 3.980 4.120 -0.012 0.000 0.247 787 V C 1.997 178.117 176.094 0.042 0.000 1.048 787 V CA 1.904 63.994 62.300 -0.350 0.000 1.049 787 V CB -0.228 31.121 31.823 -0.790 0.000 0.672 787 V HN 0.081 nan 8.190 nan 0.000 0.457 788 S N 0.961 116.630 115.700 -0.053 0.000 2.368 788 S HA -0.053 4.409 4.470 -0.012 0.000 0.225 788 S C 2.280 176.932 174.600 0.088 0.000 1.030 788 S CA 1.698 59.887 58.200 -0.018 0.000 0.999 788 S CB -0.693 62.470 63.200 -0.062 0.000 0.844 788 S HN 0.980 nan 8.310 nan 0.000 0.459 789 A N 1.410 124.292 122.820 0.103 0.000 1.877 789 A HA -0.015 4.298 4.320 -0.012 0.000 0.216 789 A C 2.092 179.790 177.584 0.190 0.000 1.186 789 A CA 1.144 53.260 52.037 0.132 0.000 0.620 789 A CB -0.775 18.296 19.000 0.120 0.000 0.822 789 A HN 0.463 nan 8.150 nan 0.000 0.443 790 L N -1.942 119.461 121.223 0.300 0.000 2.141 790 L HA -0.154 4.179 4.340 -0.012 0.000 0.209 790 L C 2.441 179.588 176.870 0.461 0.000 1.094 790 L CA 1.703 56.798 54.840 0.425 0.000 0.763 790 L CB -0.414 42.017 42.059 0.620 0.000 0.908 790 L HN 0.609 nan 8.230 nan 0.000 0.437 791 Y N 0.932 121.312 120.300 0.132 0.000 2.293 791 Y HA -0.259 4.285 4.550 -0.011 0.000 0.291 791 Y C 2.436 178.230 175.900 -0.177 0.000 1.137 791 Y CA 1.582 59.450 58.100 -0.386 0.000 1.202 791 Y CB -0.051 37.978 38.460 -0.718 0.000 0.990 791 Y HN 0.034 nan 8.280 nan 0.000 0.537 792 K N 0.051 120.451 120.400 -0.001 0.000 2.442 792 K HA -0.132 4.180 4.320 -0.012 0.000 0.198 792 K C 0.340 176.907 176.600 -0.055 0.000 1.044 792 K CA 0.732 57.012 56.287 -0.012 0.000 0.948 792 K CB -0.116 32.433 32.500 0.083 0.000 0.762 792 K HN 0.054 nan 8.250 nan 0.000 0.472 793 N N 0.287 118.973 118.700 -0.024 0.000 2.976 793 N HA 0.135 4.867 4.740 -0.012 0.000 0.255 793 N C -2.429 173.080 175.510 -0.002 0.000 1.312 793 N CA -2.238 50.814 53.050 0.003 0.000 0.897 793 N CB 1.008 39.536 38.487 0.068 0.000 1.184 793 N HN -0.182 nan 8.380 nan 0.000 0.497 794 P HA -0.243 nan 4.420 nan 0.000 0.219 794 P C 1.411 178.725 177.300 0.023 0.000 1.161 794 P CA 1.391 64.420 63.100 -0.118 0.000 0.909 794 P CB 0.329 31.937 31.700 -0.154 0.000 0.793 795 R N -0.395 120.117 120.500 0.021 0.000 2.091 795 R HA -0.164 4.168 4.340 -0.012 0.000 0.238 795 R C 1.997 178.342 176.300 0.076 0.000 1.136 795 R CA 1.418 57.543 56.100 0.042 0.000 0.959 795 R CB -0.297 30.018 30.300 0.026 0.000 0.856 795 R HN 0.137 nan 8.270 nan 0.000 0.437 796 E N -0.379 119.878 120.200 0.095 0.000 2.158 796 E HA -0.191 4.152 4.350 -0.012 0.000 0.191 796 E C 1.548 178.237 176.600 0.149 0.000 0.982 796 E CA 0.488 56.949 56.400 0.103 0.000 0.823 796 E CB -0.357 29.401 29.700 0.098 0.000 0.766 796 E HN 0.499 nan 8.360 nan 0.000 0.468 797 W N 2.138 123.442 121.300 0.008 0.000 2.355 797 W HA -0.169 4.483 4.660 -0.014 0.000 0.309 797 W C 1.534 178.069 176.519 0.027 0.000 1.206 797 W CA 2.029 59.396 57.345 0.038 0.000 1.284 797 W CB -0.308 29.151 29.460 -0.001 0.000 1.145 797 W HN 0.026 nan 8.180 nan 0.000 0.502 798 T N 1.147 115.851 114.554 0.249 0.000 2.833 798 T HA -0.162 4.180 4.350 -0.012 0.000 0.269 798 T C 1.813 176.537 174.700 0.040 0.000 1.054 798 T CA 1.515 63.691 62.100 0.125 0.000 1.135 798 T CB -0.275 68.648 68.868 0.092 0.000 0.869 798 T HN 0.184 nan 8.240 nan 0.000 0.466 799 R N 0.375 120.901 120.500 0.045 0.000 2.090 799 R HA 0.155 4.487 4.340 -0.012 0.000 0.228 799 R C 2.472 178.770 176.300 -0.003 0.000 1.110 799 R CA 1.016 57.138 56.100 0.036 0.000 0.973 799 R CB -0.306 30.020 30.300 0.042 0.000 0.869 799 R HN 0.359 nan 8.270 nan 0.000 0.440 800 M N 0.500 120.065 119.600 -0.059 0.000 2.254 800 M HA -0.115 4.358 4.480 -0.012 0.000 0.265 800 M C 1.857 178.076 176.300 -0.135 0.000 1.066 800 M CA 1.230 56.457 55.300 -0.121 0.000 1.123 800 M CB 0.244 32.715 32.600 -0.214 0.000 1.388 800 M HN -0.031 nan 8.290 nan 0.000 0.425 801 V N 0.781 120.604 119.914 -0.151 0.000 2.295 801 V HA -0.298 3.815 4.120 -0.012 0.000 0.246 801 V C 2.183 178.264 176.094 -0.022 0.000 1.049 801 V CA 1.914 64.149 62.300 -0.109 0.000 1.024 801 V CB -0.540 31.245 31.823 -0.063 0.000 0.648 801 V HN 0.501 nan 8.190 nan 0.000 0.447 802 I N -0.597 119.982 120.570 0.014 0.000 2.361 802 I HA -0.260 3.902 4.170 -0.012 0.000 0.251 802 I C 2.671 178.836 176.117 0.079 0.000 1.133 802 I CA 1.364 62.714 61.300 0.084 0.000 1.413 802 I CB -0.288 37.804 38.000 0.154 0.000 1.073 802 I HN 0.189 nan 8.210 nan 0.000 0.424 803 R N 0.870 121.395 120.500 0.042 0.000 2.092 803 R HA -0.074 4.259 4.340 -0.012 0.000 0.231 803 R C 2.049 178.383 176.300 0.056 0.000 1.119 803 R CA 1.241 57.366 56.100 0.040 0.000 0.970 803 R CB -0.228 30.080 30.300 0.013 0.000 0.864 803 R HN 0.422 nan 8.270 nan 0.000 0.440 804 N N -0.226 118.502 118.700 0.046 0.000 2.109 804 N HA -0.094 4.639 4.740 -0.012 0.000 0.188 804 N C 1.818 177.388 175.510 0.100 0.000 1.034 804 N CA 1.486 54.586 53.050 0.084 0.000 0.846 804 N CB -0.054 38.453 38.487 0.034 0.000 1.010 804 N HN 0.130 nan 8.380 nan 0.000 0.425 805 I N 1.793 122.409 120.570 0.075 0.000 2.127 805 I HA -0.262 3.901 4.170 -0.012 0.000 0.241 805 I C 2.404 178.570 176.117 0.082 0.000 1.075 805 I CA 1.116 62.464 61.300 0.081 0.000 1.334 805 I CB -0.347 37.691 38.000 0.065 0.000 1.040 805 I HN 0.095 nan 8.210 nan 0.000 0.405 806 A N -1.184 121.684 122.820 0.080 0.000 2.125 806 A HA -0.189 4.124 4.320 -0.012 0.000 0.219 806 A C 2.177 179.796 177.584 0.059 0.000 1.156 806 A CA 2.131 54.207 52.037 0.065 0.000 0.671 806 A CB -0.601 18.443 19.000 0.075 0.000 0.794 806 A HN 0.413 nan 8.150 nan 0.000 0.459 807 T N -1.149 113.453 114.554 0.081 0.000 3.132 807 T HA 0.147 4.489 4.350 -0.012 0.000 0.274 807 T C 1.461 176.241 174.700 0.132 0.000 1.011 807 T CA 0.671 62.822 62.100 0.084 0.000 0.899 807 T CB -0.374 68.544 68.868 0.084 0.000 1.089 807 T HN 0.613 nan 8.240 nan 0.000 0.543 808 S N -0.875 114.923 115.700 0.163 0.000 2.558 808 S HA 0.180 4.643 4.470 -0.012 0.000 0.217 808 S C 2.330 177.035 174.600 0.176 0.000 0.975 808 S CA 0.579 58.947 58.200 0.279 0.000 0.912 808 S CB -0.346 63.010 63.200 0.260 0.000 0.776 808 S HN 0.430 nan 8.310 nan 0.000 0.526 809 G N 2.863 111.704 108.800 0.068 0.000 2.545 809 G HA2 -0.356 3.597 3.960 -0.012 0.000 0.222 809 G HA3 -0.356 3.597 3.960 -0.012 0.000 0.222 809 G C 1.342 176.197 174.900 -0.074 0.000 1.126 809 G CA 1.238 46.350 45.100 0.020 0.000 0.754 809 G HN 0.594 nan 8.290 nan 0.000 0.583 810 K N -0.067 120.176 120.400 -0.261 0.000 2.280 810 K HA -0.015 4.298 4.320 -0.012 0.000 0.202 810 K C 1.316 177.609 176.600 -0.511 0.000 1.047 810 K CA 0.616 56.624 56.287 -0.465 0.000 0.942 810 K CB -0.258 31.801 32.500 -0.734 0.000 0.739 810 K HN 0.438 nan 8.250 nan 0.000 0.457 811 F N 1.119 121.100 119.950 0.050 0.000 2.693 811 F HA 0.085 4.604 4.527 -0.013 0.000 0.303 811 F C 0.914 176.760 175.800 0.076 0.000 1.143 811 F CA -0.565 57.471 58.000 0.060 0.000 1.389 811 F CB 0.365 39.398 39.000 0.054 0.000 1.060 811 F HN -0.105 nan 8.300 nan 0.000 0.535 812 S N 0.136 115.926 115.700 0.150 0.000 2.545 812 S HA 0.087 4.550 4.470 -0.012 0.000 0.275 812 S C 1.370 176.056 174.600 0.143 0.000 1.299 812 S CA -0.321 57.962 58.200 0.140 0.000 1.048 812 S CB 1.036 64.287 63.200 0.086 0.000 0.938 812 S HN 0.292 nan 8.310 nan 0.000 0.496 813 S N 3.022 118.829 115.700 0.178 0.000 2.507 813 S HA -0.063 4.400 4.470 -0.012 0.000 0.235 813 S C 0.855 175.509 174.600 0.090 0.000 0.988 813 S CA 0.605 58.929 58.200 0.206 0.000 0.944 813 S CB -0.356 63.034 63.200 0.316 0.000 0.762 813 S HN 0.792 nan 8.310 nan 0.000 0.526 814 D N 1.756 122.194 120.400 0.063 0.000 2.149 814 D HA -0.043 4.590 4.640 -0.012 0.000 0.201 814 D C 2.080 178.386 176.300 0.010 0.000 0.972 814 D CA 0.633 54.648 54.000 0.025 0.000 0.835 814 D CB -0.268 40.544 40.800 0.020 0.000 0.966 814 D HN 0.276 nan 8.370 nan 0.000 0.476 815 R N 0.764 121.275 120.500 0.018 0.000 2.066 815 R HA -0.076 4.257 4.340 -0.012 0.000 0.232 815 R C 1.837 178.135 176.300 -0.002 0.000 1.131 815 R CA 1.310 57.408 56.100 -0.004 0.000 0.955 815 R CB -0.646 29.641 30.300 -0.021 0.000 0.851 815 R HN 0.112 nan 8.270 nan 0.000 0.432 816 T N 2.291 116.868 114.554 0.038 0.000 2.652 816 T HA -0.133 4.210 4.350 -0.012 0.000 0.267 816 T C 1.954 176.671 174.700 0.028 0.000 1.039 816 T CA 1.396 63.541 62.100 0.075 0.000 1.153 816 T CB -0.159 68.830 68.868 0.203 0.000 0.863 816 T HN 0.090 nan 8.240 nan 0.000 0.428 817 I N 1.892 122.396 120.570 -0.109 0.000 2.208 817 I HA -0.130 4.032 4.170 -0.012 0.000 0.245 817 I C 2.948 179.025 176.117 -0.066 0.000 1.097 817 I CA 1.084 62.282 61.300 -0.170 0.000 1.363 817 I CB -1.714 36.191 38.000 -0.159 0.000 1.051 817 I HN 0.208 nan 8.210 nan 0.000 0.413 818 A N -0.063 122.735 122.820 -0.037 0.000 1.978 818 A HA -0.244 4.069 4.320 -0.012 0.000 0.220 818 A C 2.263 179.809 177.584 -0.064 0.000 1.170 818 A CA 1.531 53.552 52.037 -0.026 0.000 0.636 818 A CB -0.575 18.414 19.000 -0.018 0.000 0.810 818 A HN 0.532 nan 8.150 nan 0.000 0.448 819 Q N -2.130 117.615 119.800 -0.092 0.000 2.123 819 Q HA -0.121 4.211 4.340 -0.012 0.000 0.199 819 Q C 1.861 177.694 176.000 -0.278 0.000 0.966 819 Q CA 1.390 57.098 55.803 -0.159 0.000 0.845 819 Q CB -0.210 28.425 28.738 -0.171 0.000 0.907 819 Q HN 0.835 nan 8.270 nan 0.000 0.439 820 Y N 0.370 120.384 120.300 -0.477 0.000 2.181 820 Y HA -0.245 4.297 4.550 -0.013 0.000 0.288 820 Y C 2.410 177.733 175.900 -0.961 0.000 1.146 820 Y CA 1.193 58.758 58.100 -0.892 0.000 1.164 820 Y CB -0.339 37.286 38.460 -1.391 0.000 0.982 820 Y HN 0.148 nan 8.280 nan 0.000 0.515 821 A N 0.481 123.072 122.820 -0.382 0.000 1.865 821 A HA -0.241 4.071 4.320 -0.012 0.000 0.217 821 A C 2.253 179.840 177.584 0.006 0.000 1.191 821 A CA 2.163 54.214 52.037 0.024 0.000 0.623 821 A CB -0.593 18.490 19.000 0.139 0.000 0.826 821 A HN 0.423 nan 8.150 nan 0.000 0.444 822 R N -0.624 119.846 120.500 -0.050 0.000 2.073 822 R HA -0.046 4.286 4.340 -0.012 0.000 0.229 822 R C 1.907 178.177 176.300 -0.049 0.000 1.120 822 R CA 1.498 57.581 56.100 -0.030 0.000 0.967 822 R CB -0.266 30.013 30.300 -0.034 0.000 0.862 822 R HN 0.666 nan 8.270 nan 0.000 0.436 823 E N -0.232 119.898 120.200 -0.116 0.000 2.385 823 E HA 0.068 4.411 4.350 -0.012 0.000 0.194 823 E C 1.489 178.032 176.600 -0.095 0.000 1.013 823 E CA 0.528 56.864 56.400 -0.107 0.000 0.866 823 E CB 0.447 30.059 29.700 -0.147 0.000 0.832 823 E HN 0.346 nan 8.360 nan 0.000 0.500 824 I N -1.355 119.118 120.570 -0.161 0.000 3.739 824 I HA 0.030 4.192 4.170 -0.012 0.000 0.272 824 I C 1.382 177.612 176.117 0.187 0.000 1.167 824 I CA -0.089 61.171 61.300 -0.066 0.000 1.386 824 I CB 0.084 37.900 38.000 -0.308 0.000 1.490 824 I HN 0.107 nan 8.210 nan 0.000 0.452 825 W N 1.767 123.158 121.300 0.152 0.000 2.518 825 W HA 0.279 4.932 4.660 -0.012 0.000 0.273 825 W C 1.536 178.091 176.519 0.060 0.000 1.247 825 W CA 1.001 58.416 57.345 0.116 0.000 1.288 825 W CB -1.080 28.434 29.460 0.090 0.000 1.107 825 W HN 0.347 nan 8.180 nan 0.000 0.586 826 G N 0.899 109.833 108.800 0.224 0.000 2.248 826 G HA2 -0.088 3.864 3.960 -0.012 0.000 0.263 826 G HA3 -0.088 3.864 3.960 -0.012 0.000 0.263 826 G C -0.351 174.621 174.900 0.119 0.000 1.082 826 G CA 0.147 45.323 45.100 0.127 0.000 0.863 826 G HN 0.437 nan 8.290 nan 0.000 0.495 827 V N -4.291 115.711 119.914 0.146 0.000 2.962 827 V HA 0.922 5.034 4.120 -0.012 0.000 0.313 827 V C -0.439 175.710 176.094 0.092 0.000 1.099 827 V CA -1.656 60.712 62.300 0.114 0.000 0.971 827 V CB 2.364 34.266 31.823 0.132 0.000 1.028 827 V HN 0.118 nan 8.190 nan 0.000 0.430 828 E N 3.682 123.921 120.200 0.065 0.000 2.109 828 E HA 0.513 4.855 4.350 -0.012 0.000 0.278 828 E C -2.502 174.130 176.600 0.053 0.000 0.954 828 E CA -1.777 54.654 56.400 0.052 0.000 0.779 828 E CB 1.756 31.479 29.700 0.039 0.000 1.093 828 E HN 0.746 nan 8.360 nan 0.000 0.401 829 P HA 0.053 nan 4.420 nan 0.000 0.270 829 P C -0.461 176.864 177.300 0.041 0.000 1.223 829 P CA -0.213 62.916 63.100 0.049 0.000 0.785 829 P CB 0.792 32.517 31.700 0.041 0.000 0.923 830 S N 0.909 116.635 115.700 0.042 0.000 2.572 830 S HA 0.349 4.812 4.470 -0.012 0.000 0.274 830 S C -0.012 174.609 174.600 0.036 0.000 1.150 830 S CA -0.883 57.340 58.200 0.039 0.000 0.944 830 S CB 1.244 64.472 63.200 0.047 0.000 1.071 830 S HN 0.301 nan 8.310 nan 0.000 0.479 831 R N 2.563 123.081 120.500 0.030 0.000 2.702 831 R HA 0.217 4.550 4.340 -0.012 0.000 0.314 831 R C -0.216 176.095 176.300 0.018 0.000 1.152 831 R CA -0.100 56.017 56.100 0.028 0.000 1.097 831 R CB 0.212 30.530 30.300 0.029 0.000 1.343 831 R HN 0.661 nan 8.270 nan 0.000 0.575 832 Q N 1.024 120.834 119.800 0.016 0.000 2.279 832 Q HA 0.189 4.522 4.340 -0.012 0.000 0.256 832 Q C -0.358 175.635 176.000 -0.013 0.000 0.937 832 Q CA -0.363 55.443 55.803 0.005 0.000 0.933 832 Q CB 1.313 30.058 28.738 0.013 0.000 1.189 832 Q HN -0.109 nan 8.270 nan 0.000 0.417 833 R N 1.684 122.170 120.500 -0.024 0.000 2.522 833 R HA 0.050 4.383 4.340 -0.012 0.000 0.284 833 R C -0.558 175.706 176.300 -0.061 0.000 1.032 833 R CA -0.138 55.936 56.100 -0.043 0.000 1.049 833 R CB 0.147 30.421 30.300 -0.043 0.000 0.956 833 R HN 0.411 nan 8.270 nan 0.000 0.422 834 L N 6.494 127.664 121.223 -0.088 0.000 2.439 834 L HA 0.238 4.571 4.340 -0.012 0.000 0.269 834 L C -1.694 175.115 176.870 -0.101 0.000 1.179 834 L CA -1.933 52.822 54.840 -0.142 0.000 0.828 834 L CB 0.621 42.569 42.059 -0.183 0.000 1.106 834 L HN 0.612 nan 8.230 nan 0.000 0.467 835 P HA 0.003 nan 4.420 nan 0.000 0.208 835 P C 0.042 177.318 177.300 -0.039 0.000 1.341 835 P CA 0.679 63.748 63.100 -0.052 0.000 1.235 835 P CB -0.708 30.971 31.700 -0.036 0.000 1.764 836 A N 4.537 127.335 122.820 -0.037 0.000 6.759 836 A HA -0.178 4.135 4.320 -0.012 0.000 0.308 836 A C -1.320 176.253 177.584 -0.018 0.000 2.086 836 A CA 0.526 52.548 52.037 -0.025 0.000 1.123 836 A CB -1.867 17.125 19.000 -0.013 0.000 1.078 836 A HN 0.370 nan 8.150 nan 0.000 0.457 837 P HA 0.178 nan 4.420 nan 0.000 0.252 837 P C 0.091 177.401 177.300 0.015 0.000 1.211 837 P CA 0.554 63.661 63.100 0.011 0.000 0.824 837 P CB -0.362 31.356 31.700 0.030 0.000 1.077 838 D N 1.822 122.229 120.400 0.012 0.000 5.561 838 D HA -0.191 4.442 4.640 -0.012 0.000 0.166 838 D C 1.450 177.756 176.300 0.011 0.000 1.127 838 D CA 0.784 54.791 54.000 0.012 0.000 0.720 838 D CB 0.178 40.983 40.800 0.008 0.000 1.322 838 D HN 0.099 nan 8.370 nan 0.000 0.745 839 E N 2.907 123.113 120.200 0.011 0.000 2.840 839 E HA -0.444 3.898 4.350 -0.012 0.000 0.219 839 E C 0.153 176.757 176.600 0.006 0.000 0.850 839 E CA 2.771 59.174 56.400 0.006 0.000 1.211 839 E CB -0.231 29.471 29.700 0.003 0.000 1.288 839 E HN 0.888 nan 8.360 nan 0.000 0.485 840 K N -0.562 119.840 120.400 0.004 0.000 7.454 840 K HA -0.162 4.150 4.320 -0.012 0.000 0.649 840 K C -0.662 175.938 176.600 0.001 0.000 2.590 840 K CA 1.225 57.514 56.287 0.004 0.000 1.946 840 K CB -0.688 31.817 32.500 0.008 0.000 2.011 840 K HN 0.328 nan 8.250 nan 0.000 0.289 841 I N 3.521 124.090 120.570 -0.001 0.000 2.700 841 I HA 0.301 4.464 4.170 -0.012 0.000 0.272 841 I C -1.930 174.185 176.117 -0.004 0.000 1.293 841 I CA -1.590 59.707 61.300 -0.005 0.000 0.989 841 I CB 0.339 38.334 38.000 -0.009 0.000 1.301 841 I HN 0.935 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 63.101 63.100 0.001 0.000 0.800 842 P CB 0.000 31.704 31.700 0.007 0.000 0.726