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 1kti_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 LWSAKAPNDX XXXXXXXXGY DATA SEQUENCE IQAVLDRNLA ENISRVLYPN DNFFEGKELR LKQEYFVVAA TLQDIIRRFK DATA SEQUENCE SSXXXXXXXX XXNFDAFPDK 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 RLPA 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 37.972 38.000 -0.046 0.000 1.214 14 S N -0.307 115.386 115.700 -0.011 0.000 2.703 14 S HA 0.150 4.617 4.470 -0.006 0.000 0.270 14 S C -1.462 173.141 174.600 0.005 0.000 0.972 14 S CA 0.032 58.232 58.200 0.001 0.000 0.949 14 S CB 1.203 64.405 63.200 0.002 0.000 1.209 14 S HN 0.149 nan 8.310 nan 0.000 0.464 15 V N 4.147 124.072 119.914 0.018 0.000 2.743 15 V HA 0.381 4.497 4.120 -0.006 0.000 0.356 15 V C 0.737 176.841 176.094 0.016 0.000 1.594 15 V CA 0.292 62.604 62.300 0.020 0.000 1.652 15 V CB -1.278 30.568 31.823 0.038 0.000 1.389 15 V HN 0.568 nan 8.190 nan 0.000 0.514 16 R N 2.339 122.841 120.500 0.003 0.000 2.702 16 R HA 0.460 4.797 4.340 -0.006 0.000 0.314 16 R C 0.818 177.108 176.300 -0.016 0.000 1.152 16 R CA 0.448 56.546 56.100 -0.003 0.000 1.097 16 R CB 0.372 30.667 30.300 -0.008 0.000 1.343 16 R HN 0.689 nan 8.270 nan 0.000 0.575 17 G N 0.748 109.537 108.800 -0.018 0.000 2.710 17 G HA2 -0.204 3.752 3.960 -0.006 0.000 0.668 17 G HA3 -0.204 3.752 3.960 -0.006 0.000 0.668 17 G C -0.830 174.054 174.900 -0.028 0.000 1.320 17 G CA -1.097 43.984 45.100 -0.032 0.000 0.860 17 G HN 0.033 nan 8.290 nan 0.000 0.538 18 L N 0.200 121.404 121.223 -0.031 0.000 2.379 18 L HA 0.700 5.036 4.340 -0.006 0.000 0.269 18 L C 1.238 178.093 176.870 -0.025 0.000 1.084 18 L CA 0.285 55.110 54.840 -0.024 0.000 0.802 18 L CB 1.148 43.194 42.059 -0.022 0.000 1.175 18 L HN 1.556 nan 8.230 nan 0.000 0.448 19 A N 1.831 124.640 122.820 -0.018 0.000 3.158 19 A HA 0.557 4.873 4.320 -0.006 0.000 0.319 19 A C 0.726 178.305 177.584 -0.007 0.000 1.204 19 A CA -0.348 51.681 52.037 -0.014 0.000 0.992 19 A CB -0.443 18.549 19.000 -0.014 0.000 1.110 19 A HN 0.800 nan 8.150 nan 0.000 0.519 20 G N -0.300 108.495 108.800 -0.008 0.000 2.484 20 G HA2 0.320 4.277 3.960 -0.006 0.000 0.235 20 G HA3 0.320 4.277 3.960 -0.006 0.000 0.235 20 G C 1.018 175.921 174.900 0.006 0.000 1.282 20 G CA 0.045 45.144 45.100 -0.001 0.000 0.857 20 G HN 0.429 nan 8.290 nan 0.000 0.571 21 V N 1.950 121.869 119.914 0.008 0.000 2.287 21 V HA -0.180 3.936 4.120 -0.006 0.000 0.248 21 V C 2.696 178.800 176.094 0.016 0.000 1.053 21 V CA 2.420 64.727 62.300 0.012 0.000 1.027 21 V CB -0.660 31.169 31.823 0.010 0.000 0.646 21 V HN 0.779 nan 8.190 nan 0.000 0.447 22 E N 0.370 120.580 120.200 0.017 0.000 2.072 22 E HA -0.172 4.174 4.350 -0.006 0.000 0.191 22 E C 2.089 178.709 176.600 0.034 0.000 0.985 22 E CA 1.512 57.926 56.400 0.024 0.000 0.801 22 E CB -0.284 29.430 29.700 0.022 0.000 0.750 22 E HN 0.614 nan 8.360 nan 0.000 0.452 23 N N -0.882 117.836 118.700 0.031 0.000 2.142 23 N HA -0.116 4.621 4.740 -0.006 0.000 0.186 23 N C 1.582 177.118 175.510 0.043 0.000 1.023 23 N CA 0.974 54.048 53.050 0.040 0.000 0.852 23 N CB -0.013 38.483 38.487 0.015 0.000 0.998 23 N HN -0.030 nan 8.380 nan 0.000 0.424 24 V N 0.182 120.112 119.914 0.027 0.000 2.407 24 V HA -0.220 3.896 4.120 -0.006 0.000 0.248 24 V C 2.001 178.116 176.094 0.035 0.000 1.055 24 V CA 1.793 64.109 62.300 0.026 0.000 1.049 24 V CB -0.865 30.969 31.823 0.018 0.000 0.662 24 V HN 0.404 nan 8.190 nan 0.000 0.455 25 T N -0.538 114.037 114.554 0.035 0.000 2.746 25 T HA -0.218 4.128 4.350 -0.006 0.000 0.267 25 T C 1.930 176.664 174.700 0.057 0.000 1.039 25 T CA 1.806 63.928 62.100 0.037 0.000 1.142 25 T CB -0.182 68.704 68.868 0.030 0.000 0.866 25 T HN 0.487 nan 8.240 nan 0.000 0.444 26 E N 0.721 120.963 120.200 0.070 0.000 2.072 26 E HA -0.066 4.280 4.350 -0.006 0.000 0.191 26 E C 1.914 178.593 176.600 0.133 0.000 0.985 26 E CA 0.768 57.224 56.400 0.093 0.000 0.801 26 E CB -0.478 29.284 29.700 0.104 0.000 0.750 26 E HN 0.189 nan 8.360 nan 0.000 0.452 27 L N 0.965 122.275 121.223 0.145 0.000 2.012 27 L HA -0.150 4.186 4.340 -0.006 0.000 0.210 27 L C 2.150 179.132 176.870 0.186 0.000 1.073 27 L CA 1.818 56.770 54.840 0.187 0.000 0.748 27 L CB -0.726 41.413 42.059 0.133 0.000 0.891 27 L HN 0.092 nan 8.230 nan 0.000 0.431 28 K N -0.056 120.411 120.400 0.111 0.000 2.032 28 K HA -0.216 4.100 4.320 -0.006 0.000 0.209 28 K C 1.999 178.701 176.600 0.169 0.000 1.048 28 K CA 1.794 58.138 56.287 0.094 0.000 0.927 28 K CB -0.189 32.325 32.500 0.024 0.000 0.712 28 K HN 0.446 nan 8.250 nan 0.000 0.441 29 K N 0.340 120.820 120.400 0.133 0.000 2.097 29 K HA -0.054 4.262 4.320 -0.006 0.000 0.205 29 K C 1.618 178.311 176.600 0.154 0.000 1.050 29 K CA 1.297 57.658 56.287 0.125 0.000 0.938 29 K CB -0.157 32.392 32.500 0.081 0.000 0.718 29 K HN 0.020 nan 8.250 nan 0.000 0.442 30 N N 0.416 119.221 118.700 0.176 0.000 2.331 30 N HA -0.092 4.644 4.740 -0.006 0.000 0.180 30 N C 1.542 177.220 175.510 0.280 0.000 1.019 30 N CA 0.821 53.975 53.050 0.174 0.000 0.881 30 N CB -0.190 38.407 38.487 0.183 0.000 0.972 30 N HN 0.208 nan 8.380 nan 0.000 0.435 31 F N 2.545 122.598 119.950 0.173 0.000 2.084 31 F HA -0.064 4.459 4.527 -0.006 0.000 0.296 31 F C 2.000 177.905 175.800 0.175 0.000 1.111 31 F CA 1.253 59.367 58.000 0.189 0.000 1.224 31 F CB -0.189 38.891 39.000 0.132 0.000 0.991 31 F HN -0.045 nan 8.300 nan 0.000 0.471 32 N N 0.442 119.373 118.700 0.385 0.000 2.244 32 N HA -0.167 4.570 4.740 -0.006 0.000 0.183 32 N C 2.078 177.659 175.510 0.119 0.000 1.016 32 N CA 0.653 53.843 53.050 0.235 0.000 0.866 32 N CB -0.478 38.128 38.487 0.198 0.000 0.980 32 N HN 0.283 nan 8.380 nan 0.000 0.430 33 R N 0.903 121.480 120.500 0.128 0.000 2.066 33 R HA -0.077 4.260 4.340 -0.006 0.000 0.232 33 R C 1.591 177.967 176.300 0.126 0.000 1.131 33 R CA 1.436 57.633 56.100 0.161 0.000 0.955 33 R CB -0.590 29.756 30.300 0.077 0.000 0.851 33 R HN 0.414 nan 8.270 nan 0.000 0.432 34 H N -0.096 119.011 119.070 0.062 0.000 2.389 34 H HA -0.123 4.430 4.556 -0.006 0.000 0.299 34 H C 1.843 177.102 175.328 -0.114 0.000 1.081 34 H CA 1.500 57.522 56.048 -0.044 0.000 1.345 34 H CB 0.004 29.703 29.762 -0.106 0.000 1.393 34 H HN 0.071 nan 8.280 nan 0.000 0.520 35 L N -0.035 121.165 121.223 -0.037 0.000 2.079 35 L HA -0.198 4.139 4.340 -0.006 0.000 0.210 35 L C 2.161 179.000 176.870 -0.051 0.000 1.081 35 L CA 1.870 56.657 54.840 -0.088 0.000 0.752 35 L CB -0.433 41.579 42.059 -0.079 0.000 0.896 35 L HN 0.308 nan 8.230 nan 0.000 0.433 36 H N -1.713 117.260 119.070 -0.162 0.000 2.287 36 H HA -0.044 4.508 4.556 -0.006 0.000 0.309 36 H C 1.803 176.915 175.328 -0.359 0.000 1.059 36 H CA 2.209 58.065 56.048 -0.320 0.000 1.357 36 H CB -0.304 29.148 29.762 -0.516 0.000 1.409 36 H HN 0.274 nan 8.280 nan 0.000 0.515 37 F N -0.225 119.694 119.950 -0.050 0.000 2.234 37 F HA -0.039 4.484 4.527 -0.006 0.000 0.296 37 F C 2.599 178.312 175.800 -0.145 0.000 1.089 37 F CA 1.457 59.381 58.000 -0.127 0.000 1.343 37 F CB -0.514 38.448 39.000 -0.064 0.000 1.040 37 F HN 0.192 nan 8.300 nan 0.000 0.498 38 T N -0.316 114.258 114.554 0.035 0.000 2.901 38 T HA 0.007 4.354 4.350 -0.006 0.000 0.252 38 T C 1.750 176.357 174.700 -0.156 0.000 1.035 38 T CA 0.743 62.794 62.100 -0.082 0.000 1.142 38 T CB -0.246 68.541 68.868 -0.134 0.000 0.869 38 T HN -0.048 nan 8.240 nan 0.000 0.442 39 L N 0.948 122.080 121.223 -0.152 0.000 2.446 39 L HA 0.262 4.598 4.340 -0.006 0.000 0.219 39 L C 0.706 177.480 176.870 -0.160 0.000 1.116 39 L CA 0.384 55.126 54.840 -0.164 0.000 0.844 39 L CB -0.650 41.322 42.059 -0.146 0.000 0.970 39 L HN 0.045 nan 8.230 nan 0.000 0.457 40 V N 0.134 119.936 119.914 -0.187 0.000 6.078 40 V HA -0.287 3.829 4.120 -0.006 0.000 0.301 40 V C 0.392 176.375 176.094 -0.185 0.000 0.571 40 V CA 0.785 62.947 62.300 -0.231 0.000 0.625 40 V CB -2.061 29.655 31.823 -0.179 0.000 0.271 40 V HN 0.404 nan 8.190 nan 0.000 0.788 41 K N 0.735 121.035 120.400 -0.167 0.000 2.466 41 K HA 0.755 5.071 4.320 -0.006 0.000 0.260 41 K C -0.544 176.025 176.600 -0.051 0.000 1.011 41 K CA -0.404 55.819 56.287 -0.107 0.000 0.871 41 K CB 2.772 35.206 32.500 -0.111 0.000 1.404 41 K HN 0.553 nan 8.250 nan 0.000 0.450 42 D N -1.133 119.256 120.400 -0.018 0.000 2.490 42 D HA 0.332 4.968 4.640 -0.006 0.000 0.232 42 D C 0.558 176.889 176.300 0.051 0.000 1.053 42 D CA -0.771 53.250 54.000 0.035 0.000 0.914 42 D CB 1.124 41.941 40.800 0.029 0.000 1.431 42 D HN 0.073 nan 8.370 nan 0.000 0.483 43 R N 0.599 121.159 120.500 0.100 0.000 2.303 43 R HA -0.029 4.307 4.340 -0.006 0.000 0.225 43 R C 0.506 176.875 176.300 0.116 0.000 1.114 43 R CA 0.479 56.675 56.100 0.161 0.000 1.007 43 R CB -0.723 29.676 30.300 0.165 0.000 0.861 43 R HN 0.534 nan 8.270 nan 0.000 0.471 44 N N 0.012 118.749 118.700 0.062 0.000 2.415 44 N HA -0.060 4.676 4.740 -0.006 0.000 0.176 44 N C 1.525 177.049 175.510 0.024 0.000 1.042 44 N CA 1.103 54.179 53.050 0.043 0.000 0.902 44 N CB 0.488 38.992 38.487 0.028 0.000 0.986 44 N HN 0.207 nan 8.380 nan 0.000 0.447 45 V N -2.886 117.029 119.914 0.001 0.000 3.477 45 V HA 0.529 4.645 4.120 -0.006 0.000 0.297 45 V C 0.781 176.835 176.094 -0.066 0.000 1.433 45 V CA -0.546 61.740 62.300 -0.023 0.000 1.052 45 V CB -0.224 31.582 31.823 -0.029 0.000 0.895 45 V HN 0.023 nan 8.190 nan 0.000 0.438 46 A N 2.153 124.910 122.820 -0.105 0.000 2.477 46 A HA 0.604 4.921 4.320 -0.006 0.000 0.246 46 A C 0.707 178.098 177.584 -0.322 0.000 1.078 46 A CA 0.785 52.651 52.037 -0.285 0.000 0.770 46 A CB -0.032 18.681 19.000 -0.477 0.000 1.011 46 A HN 0.847 nan 8.150 nan 0.000 0.494 47 T N -0.122 114.241 114.554 -0.319 0.000 2.938 47 T HA 0.597 4.944 4.350 -0.006 0.000 0.285 47 T C -2.166 172.427 174.700 -0.177 0.000 1.028 47 T CA -1.754 60.248 62.100 -0.164 0.000 1.005 47 T CB 1.259 70.086 68.868 -0.069 0.000 1.157 47 T HN 0.222 nan 8.240 nan 0.000 0.550 48 P HA -0.087 nan 4.420 nan 0.000 0.216 48 P C 1.630 179.035 177.300 0.176 0.000 1.150 48 P CA 1.005 64.229 63.100 0.207 0.000 0.843 48 P CB 0.041 31.837 31.700 0.160 0.000 0.787 49 R N -0.079 120.474 120.500 0.088 0.000 2.096 49 R HA -0.150 4.187 4.340 -0.006 0.000 0.235 49 R C 1.642 178.109 176.300 0.278 0.000 1.127 49 R CA 1.804 58.002 56.100 0.162 0.000 0.968 49 R CB -0.686 29.630 30.300 0.026 0.000 0.861 49 R HN 0.091 nan 8.270 nan 0.000 0.440 50 D N -0.321 120.115 120.400 0.059 0.000 2.117 50 D HA -0.186 4.450 4.640 -0.006 0.000 0.197 50 D C 1.733 178.057 176.300 0.041 0.000 0.987 50 D CA 1.319 55.308 54.000 -0.017 0.000 0.829 50 D CB -0.348 40.296 40.800 -0.261 0.000 0.961 50 D HN 0.297 nan 8.370 nan 0.000 0.460 51 Y N 0.037 120.441 120.300 0.173 0.000 2.224 51 Y HA -0.202 4.344 4.550 -0.006 0.000 0.289 51 Y C 2.321 178.354 175.900 0.221 0.000 1.146 51 Y CA 0.326 58.569 58.100 0.237 0.000 1.182 51 Y CB -1.152 37.505 38.460 0.329 0.000 0.983 51 Y HN 0.093 nan 8.280 nan 0.000 0.524 52 Y N -0.468 119.982 120.300 0.251 0.000 2.128 52 Y HA -0.283 4.263 4.550 -0.006 0.000 0.284 52 Y C 1.969 177.844 175.900 -0.040 0.000 1.154 52 Y CA 1.273 59.419 58.100 0.077 0.000 1.149 52 Y CB -1.158 37.257 38.460 -0.074 0.000 0.976 52 Y HN 0.046 nan 8.280 nan 0.000 0.505 53 F N 0.217 119.930 119.950 -0.395 0.000 2.171 53 F HA -0.123 4.401 4.527 -0.006 0.000 0.300 53 F C 2.635 178.266 175.800 -0.282 0.000 1.090 53 F CA 1.334 59.049 58.000 -0.475 0.000 1.293 53 F CB -0.822 38.084 39.000 -0.156 0.000 1.013 53 F HN 0.203 nan 8.300 nan 0.000 0.486 54 A N -0.228 122.534 122.820 -0.097 0.000 1.902 54 A HA -0.170 4.147 4.320 -0.006 0.000 0.217 54 A C 2.060 179.499 177.584 -0.242 0.000 1.181 54 A CA 1.511 53.360 52.037 -0.313 0.000 0.623 54 A CB -0.989 17.495 19.000 -0.859 0.000 0.818 54 A HN 0.340 nan 8.150 nan 0.000 0.443 55 L N -0.255 120.946 121.223 -0.036 0.000 2.056 55 L HA -0.010 4.326 4.340 -0.006 0.000 0.207 55 L C 2.670 179.517 176.870 -0.038 0.000 1.078 55 L CA 2.120 57.076 54.840 0.193 0.000 0.749 55 L CB -0.888 41.358 42.059 0.313 0.000 0.901 55 L HN 0.339 nan 8.230 nan 0.000 0.433 56 A N -1.180 121.430 122.820 -0.350 0.000 1.883 56 A HA -0.286 4.031 4.320 -0.006 0.000 0.217 56 A C 2.145 179.356 177.584 -0.621 0.000 1.186 56 A CA 2.044 53.743 52.037 -0.562 0.000 0.624 56 A CB -1.120 17.195 19.000 -1.142 0.000 0.822 56 A HN 0.673 nan 8.150 nan 0.000 0.444 57 H N -0.853 117.884 119.070 -0.556 0.000 2.421 57 H HA -0.052 4.501 4.556 -0.006 0.000 0.298 57 H C 2.303 177.329 175.328 -0.502 0.000 1.087 57 H CA 1.902 57.549 56.048 -0.668 0.000 1.330 57 H CB -0.140 28.973 29.762 -1.083 0.000 1.388 57 H HN 0.466 nan 8.280 nan 0.000 0.526 58 T N -0.410 114.055 114.554 -0.148 0.000 2.777 58 T HA -0.116 4.231 4.350 -0.006 0.000 0.266 58 T C 2.238 177.086 174.700 0.247 0.000 1.040 58 T CA 1.291 63.491 62.100 0.166 0.000 1.141 58 T CB -0.318 68.727 68.868 0.296 0.000 0.868 58 T HN 0.103 nan 8.240 nan 0.000 0.444 59 V N 1.582 121.624 119.914 0.213 0.000 2.453 59 V HA -0.097 4.019 4.120 -0.006 0.000 0.247 59 V C 2.591 178.866 176.094 0.301 0.000 1.048 59 V CA 1.495 63.977 62.300 0.303 0.000 1.049 59 V CB -0.634 31.360 31.823 0.285 0.000 0.672 59 V HN 0.373 nan 8.190 nan 0.000 0.457 60 R N 0.374 120.988 120.500 0.190 0.000 2.091 60 R HA -0.225 4.112 4.340 -0.006 0.000 0.238 60 R C 1.950 178.345 176.300 0.159 0.000 1.136 60 R CA 2.165 58.374 56.100 0.181 0.000 0.959 60 R CB -0.431 29.812 30.300 -0.094 0.000 0.856 60 R HN 0.456 nan 8.270 nan 0.000 0.437 61 D N -0.052 120.418 120.400 0.116 0.000 2.149 61 D HA -0.179 4.457 4.640 -0.006 0.000 0.198 61 D C 1.760 178.063 176.300 0.006 0.000 0.990 61 D CA 1.155 55.195 54.000 0.065 0.000 0.839 61 D CB -0.427 40.394 40.800 0.035 0.000 0.948 61 D HN 0.449 nan 8.370 nan 0.000 0.460 62 H N -0.042 119.096 119.070 0.112 0.000 2.489 62 H HA -0.021 4.532 4.556 -0.006 0.000 0.293 62 H C 2.021 177.394 175.328 0.075 0.000 1.066 62 H CA 0.739 56.837 56.048 0.084 0.000 1.305 62 H CB 0.228 30.031 29.762 0.069 0.000 1.386 62 H HN 0.298 nan 8.280 nan 0.000 0.551 63 L N -1.089 120.245 121.223 0.184 0.000 2.616 63 L HA 0.138 4.474 4.340 -0.006 0.000 0.229 63 L C 2.344 179.330 176.870 0.192 0.000 1.110 63 L CA 0.143 55.062 54.840 0.132 0.000 0.884 63 L CB -0.469 41.618 42.059 0.048 0.000 1.115 63 L HN -0.083 nan 8.230 nan 0.000 0.481 64 V N -1.120 118.926 119.914 0.220 0.000 2.343 64 V HA -0.028 4.088 4.120 -0.006 0.000 0.247 64 V C 2.469 178.688 176.094 0.208 0.000 1.051 64 V CA 1.844 64.317 62.300 0.289 0.000 1.036 64 V CB -1.699 30.247 31.823 0.205 0.000 0.654 64 V HN 0.340 nan 8.190 nan 0.000 0.451 65 G N 0.025 108.901 108.800 0.126 0.000 2.446 65 G HA2 -0.246 3.710 3.960 -0.006 0.000 0.217 65 G HA3 -0.246 3.710 3.960 -0.006 0.000 0.217 65 G C 1.794 176.749 174.900 0.092 0.000 1.168 65 G CA 0.992 46.142 45.100 0.083 0.000 0.771 65 G HN 0.513 nan 8.290 nan 0.000 0.551 66 R N -1.478 119.085 120.500 0.106 0.000 2.115 66 R HA -0.056 4.280 4.340 -0.006 0.000 0.230 66 R C 2.230 178.621 176.300 0.152 0.000 1.111 66 R CA 0.983 57.133 56.100 0.084 0.000 0.976 66 R CB -0.297 30.034 30.300 0.052 0.000 0.870 66 R HN 0.497 nan 8.270 nan 0.000 0.445 67 W N 1.331 122.622 121.300 -0.015 0.000 2.379 67 W HA -0.065 4.592 4.660 -0.006 0.000 0.307 67 W C 1.588 178.096 176.519 -0.019 0.000 1.200 67 W CA 0.943 58.280 57.345 -0.014 0.000 1.297 67 W CB -0.534 28.935 29.460 0.015 0.000 1.140 67 W HN -0.031 nan 8.180 nan 0.000 0.507 68 I N 1.072 121.715 120.570 0.123 0.000 2.252 68 I HA -0.325 3.841 4.170 -0.006 0.000 0.245 68 I C 2.627 178.742 176.117 -0.004 0.000 1.102 68 I CA 1.911 63.198 61.300 -0.023 0.000 1.385 68 I CB -0.570 37.417 38.000 -0.022 0.000 1.064 68 I HN -0.032 nan 8.210 nan 0.000 0.414 69 R N 0.115 120.626 120.500 0.017 0.000 2.189 69 R HA -0.027 4.309 4.340 -0.006 0.000 0.218 69 R C 1.903 178.180 176.300 -0.038 0.000 1.074 69 R CA 1.343 57.442 56.100 -0.002 0.000 0.991 69 R CB -1.073 29.222 30.300 -0.007 0.000 0.883 69 R HN 0.180 nan 8.270 nan 0.000 0.457 70 T N 1.515 116.031 114.554 -0.064 0.000 2.737 70 T HA -0.082 4.264 4.350 -0.006 0.000 0.265 70 T C 1.799 176.268 174.700 -0.386 0.000 1.038 70 T CA 1.187 63.146 62.100 -0.235 0.000 1.144 70 T CB -0.077 68.693 68.868 -0.162 0.000 0.866 70 T HN 0.218 nan 8.240 nan 0.000 0.434 71 Q N 0.830 120.551 119.800 -0.131 0.000 2.119 71 Q HA -0.077 4.259 4.340 -0.006 0.000 0.201 71 Q C 2.327 178.362 176.000 0.058 0.000 0.972 71 Q CA 1.239 57.041 55.803 -0.001 0.000 0.847 71 Q CB -0.476 28.289 28.738 0.045 0.000 0.903 71 Q HN 0.465 nan 8.270 nan 0.000 0.433 72 Q N 0.069 119.892 119.800 0.037 0.000 2.119 72 Q HA -0.172 4.164 4.340 -0.006 0.000 0.201 72 Q C 1.875 177.967 176.000 0.153 0.000 0.972 72 Q CA 1.785 57.654 55.803 0.110 0.000 0.847 72 Q CB -0.349 28.433 28.738 0.074 0.000 0.903 72 Q HN 0.533 nan 8.270 nan 0.000 0.433 73 H N -0.940 118.105 119.070 -0.043 0.000 2.352 73 H HA -0.166 4.386 4.556 -0.006 0.000 0.299 73 H C 1.078 176.456 175.328 0.083 0.000 1.097 73 H CA 2.192 58.215 56.048 -0.042 0.000 1.311 73 H CB -0.283 29.379 29.762 -0.166 0.000 1.377 73 H HN 0.347 nan 8.280 nan 0.000 0.504 74 Y N -1.128 119.198 120.300 0.043 0.000 2.293 74 Y HA -0.163 4.383 4.550 -0.006 0.000 0.291 74 Y C 2.379 178.305 175.900 0.043 0.000 1.137 74 Y CA 1.036 59.132 58.100 -0.007 0.000 1.202 74 Y CB -1.252 37.272 38.460 0.107 0.000 0.990 74 Y HN 0.351 nan 8.280 nan 0.000 0.537 75 Y N 1.288 121.668 120.300 0.133 0.000 2.242 75 Y HA -0.150 4.397 4.550 -0.006 0.000 0.291 75 Y C 2.023 177.932 175.900 0.015 0.000 1.137 75 Y CA 1.506 59.646 58.100 0.068 0.000 1.181 75 Y CB -0.082 38.409 38.460 0.051 0.000 0.989 75 Y HN 0.045 nan 8.280 nan 0.000 0.527 76 E N 0.120 120.278 120.200 -0.071 0.000 2.046 76 E HA -0.122 4.224 4.350 -0.006 0.000 0.190 76 E C 1.848 178.344 176.600 -0.173 0.000 0.982 76 E CA 1.047 57.347 56.400 -0.166 0.000 0.800 76 E CB -0.107 29.569 29.700 -0.041 0.000 0.756 76 E HN 0.393 nan 8.360 nan 0.000 0.449 77 K N 0.737 121.028 120.400 -0.181 0.000 2.361 77 K HA -0.035 4.281 4.320 -0.006 0.000 0.196 77 K C 0.153 176.689 176.600 -0.106 0.000 1.039 77 K CA 0.330 56.519 56.287 -0.162 0.000 1.001 77 K CB -0.284 32.061 32.500 -0.258 0.000 0.795 77 K HN 0.042 nan 8.250 nan 0.000 0.495 78 D N 1.221 121.571 120.400 -0.083 0.000 2.697 78 D HA -0.112 4.524 4.640 -0.006 0.000 0.235 78 D C -2.184 174.094 176.300 -0.035 0.000 1.167 78 D CA 0.127 54.099 54.000 -0.048 0.000 0.656 78 D CB -0.222 40.525 40.800 -0.089 0.000 1.025 78 D HN 0.202 nan 8.370 nan 0.000 0.419 79 P HA 0.084 nan 4.420 nan 0.000 0.275 79 P C -0.159 177.106 177.300 -0.059 0.000 1.266 79 P CA -0.581 62.490 63.100 -0.049 0.000 0.793 79 P CB 0.624 32.285 31.700 -0.064 0.000 1.074 80 K N 0.968 121.335 120.400 -0.055 0.000 2.412 80 K HA 0.090 4.406 4.320 -0.006 0.000 0.281 80 K C -0.078 176.442 176.600 -0.133 0.000 1.027 80 K CA -0.133 56.116 56.287 -0.064 0.000 0.989 80 K CB 0.252 32.731 32.500 -0.036 0.000 0.935 80 K HN 0.236 nan 8.250 nan 0.000 0.475 81 R N 3.450 123.856 120.500 -0.156 0.000 2.349 81 R HA 0.357 4.693 4.340 -0.006 0.000 0.299 81 R C -0.508 175.525 176.300 -0.445 0.000 1.027 81 R CA -0.442 55.482 56.100 -0.292 0.000 0.958 81 R CB 0.810 30.934 30.300 -0.294 0.000 1.047 81 R HN 0.501 nan 8.270 nan 0.000 0.468 82 I N 4.321 124.573 120.570 -0.531 0.000 2.339 82 I HA 0.225 4.392 4.170 -0.006 0.000 0.290 82 I C -0.699 175.113 176.117 -0.509 0.000 0.994 82 I CA -0.788 60.155 61.300 -0.594 0.000 1.191 82 I CB 0.971 38.508 38.000 -0.770 0.000 1.343 82 I HN 0.526 nan 8.210 nan 0.000 0.458 83 Y N 5.952 126.222 120.300 -0.049 0.000 2.356 83 Y HA 0.287 4.834 4.550 -0.006 0.000 0.334 83 Y C -0.314 175.691 175.900 0.174 0.000 0.958 83 Y CA -0.733 57.462 58.100 0.158 0.000 1.196 83 Y CB 1.150 39.666 38.460 0.093 0.000 1.137 83 Y HN 0.391 nan 8.280 nan 0.000 0.485 84 Y N 4.605 125.088 120.300 0.305 0.000 2.518 84 Y HA 0.477 5.024 4.550 -0.006 0.000 0.344 84 Y C -1.228 174.934 175.900 0.437 0.000 0.982 84 Y CA -0.983 57.300 58.100 0.307 0.000 1.234 84 Y CB 0.265 38.904 38.460 0.299 0.000 1.114 84 Y HN 0.495 nan 8.280 nan 0.000 0.515 85 L N 4.836 126.124 121.223 0.109 0.000 2.276 85 L HA 0.490 4.826 4.340 -0.006 0.000 0.286 85 L C -0.111 176.789 176.870 0.050 0.000 1.061 85 L CA 0.119 55.077 54.840 0.196 0.000 0.807 85 L CB 1.302 43.438 42.059 0.128 0.000 1.177 85 L HN 0.570 nan 8.230 nan 0.000 0.429 86 S N 2.329 118.144 115.700 0.191 0.000 2.537 86 S HA 0.506 4.972 4.470 -0.006 0.000 0.270 86 S C 0.103 174.802 174.600 0.166 0.000 1.142 86 S CA -0.505 57.709 58.200 0.024 0.000 0.870 86 S CB 0.989 63.988 63.200 -0.336 0.000 1.112 86 S HN 0.445 nan 8.310 nan 0.000 0.466 87 L N 2.771 124.128 121.223 0.222 0.000 2.591 87 L HA 0.470 4.807 4.340 -0.006 0.000 0.228 87 L C 0.237 177.311 176.870 0.341 0.000 1.133 87 L CA 0.943 55.980 54.840 0.328 0.000 0.880 87 L CB -0.153 42.120 42.059 0.355 0.000 1.033 87 L HN 0.646 nan 8.230 nan 0.000 0.450 88 E N -1.265 119.007 120.200 0.120 0.000 2.308 88 E HA 0.405 4.751 4.350 -0.006 0.000 0.275 88 E C -1.386 175.089 176.600 -0.209 0.000 0.890 88 E CA -0.432 56.017 56.400 0.082 0.000 0.754 88 E CB 1.916 31.639 29.700 0.038 0.000 1.207 88 E HN -0.165 nan 8.360 nan 0.000 0.426 89 F N 2.149 122.204 119.950 0.175 0.000 2.902 89 F HA 0.166 4.690 4.527 -0.006 0.000 0.368 89 F C -0.864 175.022 175.800 0.144 0.000 1.202 89 F CA -0.732 57.360 58.000 0.153 0.000 1.109 89 F CB 0.947 40.029 39.000 0.136 0.000 1.418 89 F HN 0.495 nan 8.300 nan 0.000 0.527 90 Y N 5.154 125.526 120.300 0.119 0.000 2.636 90 Y HA 0.182 4.729 4.550 -0.006 0.000 0.334 90 Y C 1.092 177.014 175.900 0.036 0.000 1.286 90 Y CA -0.905 57.217 58.100 0.038 0.000 1.688 90 Y CB 0.230 38.695 38.460 0.008 0.000 1.662 90 Y HN 0.531 nan 8.280 nan 0.000 0.465 91 M N 0.996 120.715 119.600 0.199 0.000 2.288 91 M HA 0.093 4.569 4.480 -0.006 0.000 0.266 91 M C 1.603 177.874 176.300 -0.050 0.000 1.072 91 M CA 1.123 56.455 55.300 0.053 0.000 1.132 91 M CB -1.254 31.358 32.600 0.021 0.000 1.386 91 M HN 0.645 nan 8.290 nan 0.000 0.432 92 G N 1.041 109.816 108.800 -0.042 0.000 2.553 92 G HA2 -0.267 3.690 3.960 -0.006 0.000 0.242 92 G HA3 -0.267 3.690 3.960 -0.006 0.000 0.242 92 G C -0.313 174.538 174.900 -0.081 0.000 1.277 92 G CA -0.278 44.762 45.100 -0.100 0.000 0.910 92 G HN 0.436 nan 8.290 nan 0.000 0.576 93 R N -0.314 120.119 120.500 -0.111 0.000 2.560 93 R HA 0.581 4.918 4.340 -0.006 0.000 0.270 93 R C 1.493 177.672 176.300 -0.202 0.000 1.074 93 R CA 0.325 56.370 56.100 -0.093 0.000 1.140 93 R CB 0.991 31.242 30.300 -0.082 0.000 1.073 93 R HN 0.873 nan 8.270 nan 0.000 0.527 94 T N -0.468 113.901 114.554 -0.308 0.000 3.004 94 T HA 0.025 4.371 4.350 -0.006 0.000 0.266 94 T C 1.300 175.598 174.700 -0.669 0.000 0.986 94 T CA -0.231 61.511 62.100 -0.598 0.000 0.902 94 T CB 0.207 68.500 68.868 -0.958 0.000 1.118 94 T HN 0.332 nan 8.240 nan 0.000 0.522 95 L N 1.828 122.876 121.223 -0.293 0.000 1.976 95 L HA 0.112 4.448 4.340 -0.006 0.000 0.209 95 L C 2.607 179.437 176.870 -0.068 0.000 1.071 95 L CA 2.198 57.029 54.840 -0.015 0.000 0.746 95 L CB -0.954 41.320 42.059 0.359 0.000 0.890 95 L HN 0.372 nan 8.230 nan 0.000 0.432 96 Q N -0.752 119.010 119.800 -0.064 0.000 2.124 96 Q HA -0.246 4.090 4.340 -0.006 0.000 0.202 96 Q C 2.214 178.141 176.000 -0.122 0.000 0.977 96 Q CA 1.763 57.523 55.803 -0.072 0.000 0.850 96 Q CB -0.292 28.401 28.738 -0.075 0.000 0.901 96 Q HN 0.700 nan 8.270 nan 0.000 0.429 97 N N -0.925 117.662 118.700 -0.189 0.000 2.166 97 N HA -0.141 4.595 4.740 -0.006 0.000 0.186 97 N C 1.323 176.725 175.510 -0.180 0.000 1.019 97 N CA 1.739 54.669 53.050 -0.200 0.000 0.856 97 N CB 0.087 38.421 38.487 -0.255 0.000 0.993 97 N HN 0.210 nan 8.380 nan 0.000 0.426 98 T N 1.213 115.626 114.554 -0.236 0.000 2.777 98 T HA -0.037 4.310 4.350 -0.006 0.000 0.266 98 T C 2.058 176.697 174.700 -0.102 0.000 1.040 98 T CA 0.993 62.973 62.100 -0.201 0.000 1.141 98 T CB -0.047 68.655 68.868 -0.278 0.000 0.868 98 T HN 0.265 nan 8.240 nan 0.000 0.444 99 M N 0.576 120.133 119.600 -0.073 0.000 2.117 99 M HA -0.078 4.399 4.480 -0.006 0.000 0.262 99 M C 2.457 178.725 176.300 -0.053 0.000 1.065 99 M CA 1.189 56.461 55.300 -0.047 0.000 1.114 99 M CB -0.612 31.976 32.600 -0.020 0.000 1.361 99 M HN 0.102 nan 8.290 nan 0.000 0.408 100 V N 0.947 120.834 119.914 -0.045 0.000 2.261 100 V HA -0.271 3.845 4.120 -0.006 0.000 0.246 100 V C 1.764 177.870 176.094 0.020 0.000 1.047 100 V CA 1.976 64.275 62.300 -0.002 0.000 1.015 100 V CB -0.878 30.946 31.823 0.001 0.000 0.642 100 V HN 0.466 nan 8.190 nan 0.000 0.446 101 N N -0.304 118.397 118.700 0.001 0.000 2.453 101 N HA -0.056 4.680 4.740 -0.006 0.000 0.183 101 N C 1.038 176.458 175.510 -0.150 0.000 1.041 101 N CA 0.751 53.786 53.050 -0.025 0.000 0.900 101 N CB -0.119 38.360 38.487 -0.014 0.000 0.961 101 N HN 0.291 nan 8.380 nan 0.000 0.443 102 L N -0.352 120.799 121.223 -0.121 0.000 2.693 102 L HA 0.409 4.745 4.340 -0.006 0.000 0.235 102 L C 0.538 177.324 176.870 -0.140 0.000 1.127 102 L CA -0.244 54.520 54.840 -0.125 0.000 0.914 102 L CB -0.659 41.348 42.059 -0.086 0.000 1.193 102 L HN 0.077 nan 8.230 nan 0.000 0.502 103 A N -0.387 122.348 122.820 -0.141 0.000 2.791 103 A HA -0.225 4.091 4.320 -0.006 0.000 0.292 103 A C 1.069 178.594 177.584 -0.099 0.000 1.487 103 A CA 1.000 52.966 52.037 -0.119 0.000 0.760 103 A CB -1.905 17.008 19.000 -0.144 0.000 1.031 103 A HN 0.247 nan 8.150 nan 0.000 0.503 104 L N -1.017 120.150 121.223 -0.094 0.000 2.766 104 L HA 0.282 4.618 4.340 -0.006 0.000 0.242 104 L C 1.743 178.577 176.870 -0.059 0.000 1.136 104 L CA 1.444 56.223 54.840 -0.101 0.000 0.933 104 L CB -0.114 41.858 42.059 -0.145 0.000 1.241 104 L HN 0.594 nan 8.230 nan 0.000 0.522 105 E N -0.207 119.967 120.200 -0.042 0.000 2.038 105 E HA -0.243 4.103 4.350 -0.006 0.000 0.195 105 E C 1.543 178.131 176.600 -0.020 0.000 1.000 105 E CA 1.579 57.965 56.400 -0.024 0.000 0.803 105 E CB 0.216 29.905 29.700 -0.019 0.000 0.750 105 E HN 0.427 nan 8.360 nan 0.000 0.448 106 N N 0.009 118.694 118.700 -0.025 0.000 2.166 106 N HA -0.135 4.601 4.740 -0.006 0.000 0.186 106 N C 1.596 177.093 175.510 -0.022 0.000 1.019 106 N CA 1.204 54.239 53.050 -0.025 0.000 0.856 106 N CB -0.364 38.107 38.487 -0.026 0.000 0.993 106 N HN 0.218 nan 8.380 nan 0.000 0.426 107 A N 0.466 123.271 122.820 -0.026 0.000 1.877 107 A HA -0.147 4.169 4.320 -0.006 0.000 0.216 107 A C 2.658 180.236 177.584 -0.009 0.000 1.186 107 A CA 1.330 53.355 52.037 -0.021 0.000 0.620 107 A CB -0.984 17.994 19.000 -0.038 0.000 0.822 107 A HN 0.439 nan 8.150 nan 0.000 0.443 108 C N -0.889 118.406 119.300 -0.009 0.000 2.435 108 C HA -0.043 4.414 4.460 -0.006 0.000 0.279 108 C C 2.438 177.432 174.990 0.007 0.000 1.321 108 C CA 1.089 60.113 59.018 0.010 0.000 1.752 108 C CB -1.074 26.684 27.740 0.030 0.000 1.959 108 C HN 0.729 nan 8.230 nan 0.000 0.500 109 D N 0.820 121.222 120.400 0.005 0.000 2.117 109 D HA -0.141 4.495 4.640 -0.006 0.000 0.198 109 D C 2.118 178.434 176.300 0.028 0.000 0.982 109 D CA 1.471 55.476 54.000 0.009 0.000 0.828 109 D CB -0.200 40.593 40.800 -0.011 0.000 0.967 109 D HN 0.463 nan 8.370 nan 0.000 0.464 110 E N 0.106 120.317 120.200 0.019 0.000 2.047 110 E HA -0.033 4.313 4.350 -0.006 0.000 0.191 110 E C 1.894 178.536 176.600 0.070 0.000 0.987 110 E CA 1.522 57.956 56.400 0.057 0.000 0.799 110 E CB -0.565 29.150 29.700 0.026 0.000 0.752 110 E HN 0.223 nan 8.360 nan 0.000 0.449 111 A N -0.048 122.778 122.820 0.009 0.000 1.883 111 A HA -0.216 4.100 4.320 -0.006 0.000 0.217 111 A C 2.501 180.007 177.584 -0.131 0.000 1.186 111 A CA 2.840 54.850 52.037 -0.043 0.000 0.624 111 A CB -1.480 17.498 19.000 -0.037 0.000 0.822 111 A HN 0.520 nan 8.150 nan 0.000 0.444 112 T N -3.772 110.701 114.554 -0.136 0.000 2.867 112 T HA -0.197 4.149 4.350 -0.006 0.000 0.268 112 T C 1.839 176.456 174.700 -0.138 0.000 1.057 112 T CA 1.485 63.445 62.100 -0.234 0.000 1.136 112 T CB -0.561 68.214 68.868 -0.154 0.000 0.874 112 T HN 0.451 nan 8.240 nan 0.000 0.466 113 Y N 2.204 122.424 120.300 -0.134 0.000 2.128 113 Y HA -0.092 4.454 4.550 -0.005 0.000 0.284 113 Y C 2.618 178.455 175.900 -0.104 0.000 1.154 113 Y CA 1.528 59.569 58.100 -0.099 0.000 1.149 113 Y CB -0.601 37.820 38.460 -0.065 0.000 0.976 113 Y HN 0.245 nan 8.280 nan 0.000 0.505 114 Q N -0.914 118.781 119.800 -0.174 0.000 2.226 114 Q HA -0.131 4.205 4.340 -0.006 0.000 0.204 114 Q C 1.516 177.366 176.000 -0.251 0.000 0.975 114 Q CA 1.023 56.687 55.803 -0.232 0.000 0.866 114 Q CB -0.093 28.594 28.738 -0.085 0.000 0.915 114 Q HN 0.359 nan 8.270 nan 0.000 0.440 115 L N -0.992 120.070 121.223 -0.267 0.000 2.591 115 L HA 0.142 4.479 4.340 -0.006 0.000 0.228 115 L C 1.092 177.791 176.870 -0.285 0.000 1.133 115 L CA 1.115 55.786 54.840 -0.281 0.000 0.880 115 L CB -0.240 41.564 42.059 -0.425 0.000 1.033 115 L HN 0.287 nan 8.230 nan 0.000 0.450 116 G N -0.184 108.430 108.800 -0.309 0.000 2.182 116 G HA2 -0.243 3.713 3.960 -0.006 0.000 0.248 116 G HA3 -0.243 3.713 3.960 -0.006 0.000 0.248 116 G C 0.012 174.779 174.900 -0.221 0.000 1.042 116 G CA 0.269 45.206 45.100 -0.272 0.000 0.775 116 G HN 0.274 nan 8.290 nan 0.000 0.501 117 L N -0.471 120.621 121.223 -0.218 0.000 2.354 117 L HA 0.625 4.961 4.340 -0.006 0.000 0.264 117 L C -0.666 176.180 176.870 -0.041 0.000 1.008 117 L CA -1.199 53.545 54.840 -0.160 0.000 0.819 117 L CB 1.958 43.857 42.059 -0.266 0.000 1.339 117 L HN 0.083 nan 8.230 nan 0.000 0.420 118 D N 1.909 122.314 120.400 0.008 0.000 2.412 118 D HA 0.192 4.828 4.640 -0.006 0.000 0.224 118 D C 0.644 176.978 176.300 0.057 0.000 1.093 118 D CA -0.277 53.754 54.000 0.051 0.000 0.850 118 D CB 1.507 42.342 40.800 0.057 0.000 1.046 118 D HN 0.510 nan 8.370 nan 0.000 0.507 119 M N 3.050 122.683 119.600 0.055 0.000 2.149 119 M HA -0.165 4.311 4.480 -0.006 0.000 0.261 119 M C 1.353 177.698 176.300 0.075 0.000 1.064 119 M CA 1.589 56.931 55.300 0.069 0.000 1.102 119 M CB 0.194 32.827 32.600 0.055 0.000 1.369 119 M HN 0.420 nan 8.290 nan 0.000 0.408 120 E N -0.240 119.994 120.200 0.057 0.000 2.110 120 E HA -0.260 4.087 4.350 -0.006 0.000 0.193 120 E C 1.858 178.493 176.600 0.059 0.000 0.988 120 E CA 1.437 57.868 56.400 0.051 0.000 0.804 120 E CB -0.124 29.604 29.700 0.045 0.000 0.745 120 E HN 0.635 nan 8.360 nan 0.000 0.458 121 E N 0.287 120.527 120.200 0.066 0.000 2.072 121 E HA -0.191 4.156 4.350 -0.006 0.000 0.191 121 E C 1.902 178.548 176.600 0.077 0.000 0.985 121 E CA 0.574 57.016 56.400 0.068 0.000 0.801 121 E CB 0.179 29.922 29.700 0.073 0.000 0.750 121 E HN 0.080 nan 8.360 nan 0.000 0.452 122 L N 1.431 122.722 121.223 0.114 0.000 2.093 122 L HA -0.135 4.202 4.340 -0.006 0.000 0.208 122 L C 2.038 178.969 176.870 0.101 0.000 1.085 122 L CA 1.598 56.538 54.840 0.167 0.000 0.755 122 L CB -0.589 41.626 42.059 0.260 0.000 0.904 122 L HN 0.136 nan 8.230 nan 0.000 0.435 123 E N -0.621 119.629 120.200 0.082 0.000 2.153 123 E HA -0.197 4.149 4.350 -0.006 0.000 0.194 123 E C 1.762 178.318 176.600 -0.074 0.000 0.988 123 E CA 0.837 57.253 56.400 0.027 0.000 0.811 123 E CB -0.052 29.672 29.700 0.039 0.000 0.746 123 E HN 0.430 nan 8.360 nan 0.000 0.466 124 E N 0.348 120.525 120.200 -0.039 0.000 2.409 124 E HA -0.101 4.246 4.350 -0.006 0.000 0.198 124 E C 1.844 178.384 176.600 -0.101 0.000 1.024 124 E CA 0.525 56.903 56.400 -0.037 0.000 0.861 124 E CB 0.060 29.774 29.700 0.024 0.000 0.788 124 E HN 0.431 nan 8.360 nan 0.000 0.521 125 I N 0.663 121.109 120.570 -0.207 0.000 2.716 125 I HA -0.084 4.082 4.170 -0.006 0.000 0.259 125 I C 1.385 177.213 176.117 -0.481 0.000 1.172 125 I CA 0.142 61.266 61.300 -0.294 0.000 1.478 125 I CB 0.085 37.920 38.000 -0.275 0.000 1.104 125 I HN -0.015 nan 8.210 nan 0.000 0.439 126 E N 2.378 122.141 120.200 -0.729 0.000 2.414 126 E HA -0.086 4.260 4.350 -0.006 0.000 0.263 126 E C -0.086 176.425 176.600 -0.148 0.000 1.000 126 E CA -0.095 55.941 56.400 -0.606 0.000 0.914 126 E CB 0.636 30.081 29.700 -0.424 0.000 0.948 126 E HN 0.054 nan 8.360 nan 0.000 0.444 127 E N 2.817 123.034 120.200 0.029 0.000 2.313 127 E HA 0.098 4.445 4.350 -0.006 0.000 0.276 127 E C -1.219 175.497 176.600 0.194 0.000 1.031 127 E CA -0.363 56.138 56.400 0.169 0.000 0.857 127 E CB 0.832 30.722 29.700 0.316 0.000 1.040 127 E HN 0.345 nan 8.360 nan 0.000 0.408 128 D N 1.716 122.198 120.400 0.137 0.000 2.399 128 D HA 0.257 4.894 4.640 -0.006 0.000 0.241 128 D C -0.773 175.564 176.300 0.062 0.000 1.133 128 D CA 0.261 54.307 54.000 0.077 0.000 0.890 128 D CB 0.905 41.727 40.800 0.036 0.000 1.201 128 D HN 0.425 nan 8.370 nan 0.000 0.432 129 A N 1.966 124.763 122.820 -0.038 0.000 2.798 129 A HA 0.497 4.813 4.320 -0.006 0.000 0.316 129 A C 0.876 178.295 177.584 -0.274 0.000 1.506 129 A CA -0.506 51.304 52.037 -0.379 0.000 1.162 129 A CB -0.182 18.691 19.000 -0.213 0.000 1.138 129 A HN 0.502 nan 8.150 nan 0.000 0.532 130 G N 1.906 110.512 108.800 -0.324 0.000 3.717 130 G HA2 0.415 4.371 3.960 -0.006 0.000 0.258 130 G HA3 0.415 4.371 3.960 -0.006 0.000 0.258 130 G C 0.295 175.026 174.900 -0.282 0.000 1.088 130 G CA -0.277 44.752 45.100 -0.119 0.000 1.737 130 G HN 0.685 nan 8.290 nan 0.000 0.648 131 L N 1.407 122.506 121.223 -0.207 0.000 2.939 131 L HA 0.379 4.715 4.340 -0.006 0.000 0.239 131 L C 1.041 177.872 176.870 -0.065 0.000 1.325 131 L CA -0.228 54.583 54.840 -0.048 0.000 1.170 131 L CB -0.346 41.797 42.059 0.140 0.000 1.538 131 L HN 0.331 nan 8.230 nan 0.000 0.452 132 G N -1.291 107.245 108.800 -0.441 0.000 2.660 132 G HA2 0.211 4.167 3.960 -0.006 0.000 0.290 132 G HA3 0.211 4.167 3.960 -0.006 0.000 0.290 132 G C -0.154 174.225 174.900 -0.868 0.000 1.432 132 G CA -0.449 44.318 45.100 -0.555 0.000 0.807 132 G HN -0.084 nan 8.290 nan 0.000 0.485 133 N N -0.787 117.634 118.700 -0.464 0.000 2.436 133 N HA 0.205 4.942 4.740 -0.006 0.000 0.178 133 N C 1.165 176.609 175.510 -0.110 0.000 1.026 133 N CA 1.309 54.192 53.050 -0.279 0.000 0.880 133 N CB 1.191 39.642 38.487 -0.061 0.000 1.061 133 N HN 0.808 nan 8.380 nan 0.000 0.434 134 G N -0.717 108.107 108.800 0.039 0.000 2.947 134 G HA2 0.213 4.169 3.960 -0.006 0.000 0.115 134 G HA3 0.213 4.169 3.960 -0.006 0.000 0.115 134 G C 0.748 175.780 174.900 0.220 0.000 1.214 134 G CA 0.254 45.509 45.100 0.259 0.000 1.324 134 G HN 0.162 nan 8.290 nan 0.000 0.645 135 G N 0.454 109.317 108.800 0.106 0.000 2.476 135 G HA2 -0.129 3.827 3.960 -0.006 0.000 0.218 135 G HA3 -0.129 3.827 3.960 -0.006 0.000 0.218 135 G C 1.892 176.776 174.900 -0.028 0.000 1.164 135 G CA 1.554 46.674 45.100 0.034 0.000 0.768 135 G HN 0.813 nan 8.290 nan 0.000 0.560 136 L N 0.615 121.787 121.223 -0.085 0.000 2.046 136 L HA 0.096 4.432 4.340 -0.006 0.000 0.208 136 L C 2.811 179.594 176.870 -0.145 0.000 1.077 136 L CA 1.958 56.650 54.840 -0.246 0.000 0.747 136 L CB -0.534 41.317 42.059 -0.348 0.000 0.896 136 L HN 0.238 nan 8.230 nan 0.000 0.432 137 G N -0.763 108.017 108.800 -0.033 0.000 2.403 137 G HA2 -0.238 3.718 3.960 -0.006 0.000 0.216 137 G HA3 -0.238 3.718 3.960 -0.006 0.000 0.216 137 G C 1.693 176.662 174.900 0.115 0.000 1.154 137 G CA 0.239 45.349 45.100 0.016 0.000 0.784 137 G HN 0.179 nan 8.290 nan 0.000 0.538 138 R N 0.086 120.688 120.500 0.170 0.000 2.115 138 R HA 0.114 4.450 4.340 -0.006 0.000 0.226 138 R C 2.430 178.728 176.300 -0.003 0.000 1.100 138 R CA 0.641 56.811 56.100 0.117 0.000 0.980 138 R CB -0.957 29.375 30.300 0.053 0.000 0.875 138 R HN 0.392 nan 8.270 nan 0.000 0.445 139 L N 0.658 121.804 121.223 -0.128 0.000 2.046 139 L HA -0.068 4.268 4.340 -0.006 0.000 0.208 139 L C 2.179 178.724 176.870 -0.542 0.000 1.077 139 L CA 2.190 56.797 54.840 -0.389 0.000 0.747 139 L CB -0.764 41.023 42.059 -0.453 0.000 0.896 139 L HN 0.184 nan 8.230 nan 0.000 0.432 140 A N -0.684 121.960 122.820 -0.292 0.000 1.933 140 A HA -0.137 4.179 4.320 -0.006 0.000 0.218 140 A C 2.434 180.058 177.584 0.068 0.000 1.175 140 A CA 1.820 53.755 52.037 -0.170 0.000 0.628 140 A CB -1.102 17.765 19.000 -0.223 0.000 0.814 140 A HN 0.566 nan 8.150 nan 0.000 0.444 141 A N -1.044 121.853 122.820 0.127 0.000 1.873 141 A HA -0.152 4.164 4.320 -0.006 0.000 0.215 141 A C 2.310 179.971 177.584 0.129 0.000 1.186 141 A CA 1.635 53.783 52.037 0.185 0.000 0.616 141 A CB -1.257 17.842 19.000 0.164 0.000 0.823 141 A HN 0.593 nan 8.150 nan 0.000 0.442 142 C N -1.444 117.929 119.300 0.121 0.000 2.425 142 C HA -0.051 4.405 4.460 -0.006 0.000 0.277 142 C C 2.427 177.583 174.990 0.277 0.000 1.280 142 C CA 0.552 59.684 59.018 0.190 0.000 1.744 142 C CB -1.617 26.257 27.740 0.223 0.000 1.989 142 C HN 0.601 nan 8.230 nan 0.000 0.491 143 F N 0.539 120.473 119.950 -0.026 0.000 2.134 143 F HA -0.079 4.444 4.527 -0.006 0.000 0.299 143 F C 2.121 177.865 175.800 -0.093 0.000 1.097 143 F CA 1.037 58.970 58.000 -0.111 0.000 1.264 143 F CB -1.390 37.409 39.000 -0.336 0.000 1.001 143 F HN 0.098 nan 8.300 nan 0.000 0.479 144 L N 0.303 121.607 121.223 0.135 0.000 2.042 144 L HA -0.233 4.103 4.340 -0.006 0.000 0.210 144 L C 2.148 179.034 176.870 0.026 0.000 1.076 144 L CA 1.929 56.803 54.840 0.057 0.000 0.749 144 L CB -1.285 40.811 42.059 0.062 0.000 0.893 144 L HN 0.105 nan 8.230 nan 0.000 0.432 145 D N -1.599 118.827 120.400 0.043 0.000 2.097 145 D HA -0.169 4.468 4.640 -0.006 0.000 0.195 145 D C 2.179 178.497 176.300 0.030 0.000 0.989 145 D CA 1.481 55.491 54.000 0.017 0.000 0.827 145 D CB 0.171 40.980 40.800 0.015 0.000 0.966 145 D HN 0.187 nan 8.370 nan 0.000 0.456 146 S N -0.742 114.992 115.700 0.058 0.000 2.383 146 S HA -0.099 4.367 4.470 -0.006 0.000 0.227 146 S C 1.994 176.608 174.600 0.024 0.000 1.026 146 S CA 0.849 59.074 58.200 0.042 0.000 0.981 146 S CB -0.214 63.014 63.200 0.047 0.000 0.818 146 S HN 0.345 nan 8.310 nan 0.000 0.472 147 M N 0.949 120.556 119.600 0.013 0.000 2.159 147 M HA -0.079 4.397 4.480 -0.006 0.000 0.263 147 M C 2.446 178.750 176.300 0.007 0.000 1.063 147 M CA 1.373 56.678 55.300 0.008 0.000 1.110 147 M CB -0.507 32.079 32.600 -0.024 0.000 1.374 147 M HN 0.392 nan 8.290 nan 0.000 0.411 148 A N -0.257 122.564 122.820 0.001 0.000 1.897 148 A HA -0.106 4.211 4.320 -0.006 0.000 0.215 148 A C 2.171 179.772 177.584 0.029 0.000 1.181 148 A CA 1.917 53.958 52.037 0.008 0.000 0.620 148 A CB -1.024 17.964 19.000 -0.020 0.000 0.821 148 A HN 0.401 nan 8.150 nan 0.000 0.443 149 T N 0.307 114.882 114.554 0.036 0.000 2.881 149 T HA 0.005 4.351 4.350 -0.006 0.000 0.270 149 T C 1.303 176.036 174.700 0.054 0.000 1.068 149 T CA 1.065 63.200 62.100 0.058 0.000 1.131 149 T CB -0.270 68.639 68.868 0.069 0.000 0.871 149 T HN 0.338 nan 8.240 nan 0.000 0.479 150 L N 0.414 121.665 121.223 0.047 0.000 2.629 150 L HA 0.300 4.636 4.340 -0.006 0.000 0.230 150 L C 1.633 178.539 176.870 0.059 0.000 1.151 150 L CA -0.068 54.802 54.840 0.050 0.000 0.924 150 L CB -0.382 41.705 42.059 0.047 0.000 1.137 150 L HN 0.385 nan 8.230 nan 0.000 0.457 151 G N 1.137 109.977 108.800 0.066 0.000 2.249 151 G HA2 -0.288 3.668 3.960 -0.006 0.000 0.273 151 G HA3 -0.288 3.668 3.960 -0.006 0.000 0.273 151 G C 0.110 175.071 174.900 0.101 0.000 1.036 151 G CA 0.059 45.219 45.100 0.100 0.000 0.824 151 G HN 0.288 nan 8.290 nan 0.000 0.504 152 L N -0.092 121.157 121.223 0.044 0.000 2.334 152 L HA 0.606 4.942 4.340 -0.006 0.000 0.277 152 L C 1.210 177.969 176.870 -0.184 0.000 1.075 152 L CA -0.366 54.452 54.840 -0.037 0.000 0.804 152 L CB 1.609 43.656 42.059 -0.020 0.000 1.174 152 L HN 0.255 nan 8.230 nan 0.000 0.438 153 A N 3.223 125.794 122.820 -0.416 0.000 2.981 153 A HA 0.545 4.861 4.320 -0.006 0.000 0.280 153 A C 0.334 177.544 177.584 -0.623 0.000 1.743 153 A CA -0.155 51.329 52.037 -0.923 0.000 1.430 153 A CB -0.657 17.694 19.000 -1.083 0.000 1.085 153 A HN 0.700 nan 8.150 nan 0.000 0.597 154 A N 1.566 124.067 122.820 -0.532 0.000 2.337 154 A HA 0.785 5.102 4.320 -0.006 0.000 0.329 154 A C -1.006 176.269 177.584 -0.515 0.000 1.146 154 A CA -0.450 51.334 52.037 -0.422 0.000 0.800 154 A CB 0.719 19.564 19.000 -0.258 0.000 1.220 154 A HN 0.620 nan 8.150 nan 0.000 0.472 155 Y N 0.355 120.588 120.300 -0.113 0.000 2.361 155 Y HA 0.542 5.088 4.550 -0.006 0.000 0.337 155 Y C 0.832 176.817 175.900 0.143 0.000 0.965 155 Y CA -0.513 57.594 58.100 0.012 0.000 1.091 155 Y CB 2.412 40.966 38.460 0.157 0.000 1.182 155 Y HN 0.830 nan 8.280 nan 0.000 0.450 156 G N 2.156 111.037 108.800 0.136 0.000 2.332 156 G HA2 0.469 4.426 3.960 -0.006 0.000 0.310 156 G HA3 0.469 4.426 3.960 -0.006 0.000 0.310 156 G C -1.811 173.118 174.900 0.049 0.000 1.123 156 G CA -0.297 44.929 45.100 0.210 0.000 0.873 156 G HN 0.520 nan 8.290 nan 0.000 0.460 157 Y N 0.955 121.498 120.300 0.404 0.000 2.361 157 Y HA 0.629 5.175 4.550 -0.006 0.000 0.337 157 Y C 0.734 176.940 175.900 0.510 0.000 0.965 157 Y CA 0.181 58.481 58.100 0.334 0.000 1.091 157 Y CB 2.660 41.340 38.460 0.366 0.000 1.182 157 Y HN 0.880 nan 8.280 nan 0.000 0.450 158 G N 2.376 111.497 108.800 0.535 0.000 2.753 158 G HA2 0.599 4.556 3.960 -0.006 0.000 0.303 158 G HA3 0.599 4.556 3.960 -0.006 0.000 0.303 158 G C -1.725 173.411 174.900 0.393 0.000 1.242 158 G CA -0.820 44.618 45.100 0.563 0.000 0.810 158 G HN 0.422 nan 8.290 nan 0.000 0.515 159 I N 0.517 121.213 120.570 0.210 0.000 2.474 159 I HA 0.441 4.607 4.170 -0.006 0.000 0.294 159 I C 0.216 176.236 176.117 -0.161 0.000 1.005 159 I CA -0.733 60.583 61.300 0.027 0.000 1.113 159 I CB 2.265 40.115 38.000 -0.251 0.000 1.289 159 I HN 0.361 nan 8.210 nan 0.000 0.436 160 R N 5.987 126.500 120.500 0.021 0.000 2.593 160 R HA 0.244 4.580 4.340 -0.006 0.000 0.282 160 R C -1.310 175.055 176.300 0.107 0.000 1.300 160 R CA -0.454 55.692 56.100 0.077 0.000 1.221 160 R CB -0.006 30.316 30.300 0.038 0.000 1.157 160 R HN 0.396 nan 8.270 nan 0.000 0.555 161 Y N 2.028 122.497 120.300 0.282 0.000 2.442 161 Y HA -0.054 4.492 4.550 -0.006 0.000 0.330 161 Y C 1.559 177.649 175.900 0.316 0.000 1.129 161 Y CA -0.075 58.183 58.100 0.263 0.000 1.365 161 Y CB 0.919 39.512 38.460 0.220 0.000 1.233 161 Y HN 0.594 nan 8.280 nan 0.000 0.529 162 E N 1.588 121.978 120.200 0.317 0.000 2.358 162 E HA -0.023 4.323 4.350 -0.006 0.000 0.195 162 E C -0.788 175.697 176.600 -0.192 0.000 1.010 162 E CA 0.651 57.059 56.400 0.013 0.000 0.856 162 E CB 0.047 29.622 29.700 -0.209 0.000 0.795 162 E HN 0.434 nan 8.360 nan 0.000 0.504 163 F N 0.849 121.037 119.950 0.397 0.000 2.499 163 F HA 0.494 5.018 4.527 -0.006 0.000 0.333 163 F C 0.814 176.715 175.800 0.168 0.000 1.138 163 F CA -0.931 57.249 58.000 0.300 0.000 0.945 163 F CB 2.120 41.224 39.000 0.173 0.000 1.181 163 F HN -0.040 nan 8.300 nan 0.000 0.435 164 G N 1.885 110.801 108.800 0.193 0.000 2.531 164 G HA2 0.351 4.308 3.960 -0.006 0.000 0.253 164 G HA3 0.351 4.308 3.960 -0.006 0.000 0.253 164 G C -0.528 174.342 174.900 -0.049 0.000 1.439 164 G CA -0.690 44.375 45.100 -0.058 0.000 1.056 164 G HN 0.526 nan 8.290 nan 0.000 0.555 165 I N 0.977 121.443 120.570 -0.174 0.000 2.752 165 I HA 0.209 4.376 4.170 -0.006 0.000 0.289 165 I C 0.525 176.552 176.117 -0.150 0.000 1.197 165 I CA -1.171 59.992 61.300 -0.228 0.000 1.432 165 I CB -0.326 37.445 38.000 -0.382 0.000 1.359 165 I HN 0.329 nan 8.210 nan 0.000 0.571 166 F N 6.378 126.349 119.950 0.034 0.000 2.595 166 F HA 0.244 4.768 4.527 -0.006 0.000 0.359 166 F C 0.480 176.339 175.800 0.098 0.000 1.147 166 F CA -0.541 57.501 58.000 0.070 0.000 1.341 166 F CB -0.332 38.695 39.000 0.046 0.000 1.104 166 F HN 0.431 nan 8.300 nan 0.000 0.603 167 N N 2.398 121.291 118.700 0.322 0.000 2.488 167 N HA 0.053 4.790 4.740 -0.006 0.000 0.274 167 N C -0.805 174.946 175.510 0.401 0.000 1.111 167 N CA -0.277 52.928 53.050 0.259 0.000 0.974 167 N CB 1.171 39.796 38.487 0.230 0.000 1.089 167 N HN 0.767 nan 8.380 nan 0.000 0.465 168 Q N 2.501 122.507 119.800 0.344 0.000 2.274 168 Q HA 0.175 4.512 4.340 -0.006 0.000 0.256 168 Q C -0.977 175.193 176.000 0.282 0.000 0.927 168 Q CA -0.396 55.644 55.803 0.394 0.000 0.939 168 Q CB 0.687 29.664 28.738 0.398 0.000 1.201 168 Q HN 0.211 nan 8.270 nan 0.000 0.426 169 K N 4.185 124.725 120.400 0.233 0.000 2.259 169 K HA 0.479 4.795 4.320 -0.006 0.000 0.252 169 K C -0.717 175.973 176.600 0.151 0.000 0.936 169 K CA -0.864 55.533 56.287 0.184 0.000 0.810 169 K CB 1.606 34.195 32.500 0.148 0.000 1.143 169 K HN 0.634 nan 8.250 nan 0.000 0.427 170 I N 2.625 123.274 120.570 0.133 0.000 2.328 170 I HA 0.218 4.385 4.170 -0.006 0.000 0.287 170 I C -0.363 175.804 176.117 0.084 0.000 1.012 170 I CA -0.652 60.696 61.300 0.080 0.000 1.195 170 I CB 0.713 38.738 38.000 0.042 0.000 1.350 170 I HN 0.400 nan 8.210 nan 0.000 0.464 171 C N 3.900 123.261 119.300 0.102 0.000 2.340 171 C HA 0.603 5.059 4.460 -0.006 0.000 0.323 171 C C 1.157 176.245 174.990 0.163 0.000 1.260 171 C CA -0.480 58.605 59.018 0.112 0.000 1.464 171 C CB 0.600 28.401 27.740 0.100 0.000 2.156 171 C HN 1.082 nan 8.230 nan 0.000 0.476 172 G N 2.359 111.230 108.800 0.119 0.000 2.225 172 G HA2 0.115 4.072 3.960 -0.006 0.000 0.267 172 G HA3 0.115 4.072 3.960 -0.006 0.000 0.267 172 G C 1.085 176.017 174.900 0.053 0.000 1.024 172 G CA 0.977 46.161 45.100 0.140 0.000 0.784 172 G HN 2.418 nan 8.290 nan 0.000 0.507 173 G N -3.003 105.766 108.800 -0.052 0.000 2.179 173 G HA2 -0.286 3.670 3.960 -0.006 0.000 0.260 173 G HA3 -0.286 3.670 3.960 -0.006 0.000 0.260 173 G C 0.348 175.013 174.900 -0.391 0.000 0.977 173 G CA 0.716 45.662 45.100 -0.257 0.000 0.641 173 G HN 1.214 nan 8.290 nan 0.000 0.533 174 W N 0.486 121.729 121.300 -0.095 0.000 2.578 174 W HA 0.675 5.332 4.660 -0.006 0.000 0.346 174 W C 0.568 177.026 176.519 -0.102 0.000 1.075 174 W CA -0.925 56.355 57.345 -0.107 0.000 1.233 174 W CB 0.858 30.271 29.460 -0.077 0.000 1.358 174 W HN 0.223 nan 8.180 nan 0.000 0.574 175 Q N 2.777 122.671 119.800 0.157 0.000 2.304 175 Q HA 0.307 4.643 4.340 -0.006 0.000 0.260 175 Q C -0.696 175.354 176.000 0.082 0.000 0.965 175 Q CA 0.019 55.877 55.803 0.091 0.000 0.898 175 Q CB 0.598 29.381 28.738 0.076 0.000 1.196 175 Q HN 0.307 nan 8.270 nan 0.000 0.402 176 M N 3.152 122.796 119.600 0.074 0.000 2.393 176 M HA 0.391 4.867 4.480 -0.006 0.000 0.316 176 M C -1.165 175.144 176.300 0.013 0.000 1.087 176 M CA -0.672 54.642 55.300 0.025 0.000 0.937 176 M CB 1.803 34.432 32.600 0.048 0.000 1.668 176 M HN 0.615 nan 8.290 nan 0.000 0.438 177 E N 1.801 121.940 120.200 -0.102 0.000 2.191 177 E HA 0.514 4.860 4.350 -0.006 0.000 0.274 177 E C -0.707 175.886 176.600 -0.013 0.000 0.948 177 E CA -0.602 55.708 56.400 -0.150 0.000 0.802 177 E CB 1.715 31.052 29.700 -0.606 0.000 1.137 177 E HN 0.522 nan 8.360 nan 0.000 0.397 178 E N 0.885 121.158 120.200 0.122 0.000 2.314 178 E HA 0.687 5.034 4.350 -0.006 0.000 0.272 178 E C -1.094 175.606 176.600 0.166 0.000 0.884 178 E CA -1.471 54.994 56.400 0.107 0.000 0.753 178 E CB 1.446 31.216 29.700 0.116 0.000 1.213 178 E HN 0.477 nan 8.360 nan 0.000 0.432 179 A N 2.407 125.287 122.820 0.101 0.000 2.567 179 A HA 0.006 4.322 4.320 -0.006 0.000 0.240 179 A C 0.033 177.805 177.584 0.313 0.000 1.053 179 A CA 0.500 52.620 52.037 0.138 0.000 0.755 179 A CB -0.076 18.884 19.000 -0.066 0.000 0.978 179 A HN 0.695 nan 8.150 nan 0.000 0.507 180 D N 1.737 122.391 120.400 0.423 0.000 2.522 180 D HA 0.200 4.837 4.640 -0.006 0.000 0.218 180 D C -0.369 176.248 176.300 0.528 0.000 1.149 180 D CA -0.221 54.019 54.000 0.400 0.000 0.981 180 D CB 0.235 41.206 40.800 0.287 0.000 1.041 180 D HN 0.403 nan 8.370 nan 0.000 0.518 181 D N 3.432 124.105 120.400 0.455 0.000 2.688 181 D HA -0.028 4.609 4.640 -0.006 0.000 0.228 181 D C 1.210 177.629 176.300 0.197 0.000 1.116 181 D CA -0.549 53.616 54.000 0.275 0.000 1.023 181 D CB -0.182 40.791 40.800 0.288 0.000 1.100 181 D HN 0.523 nan 8.370 nan 0.000 0.487 182 W N 1.914 123.234 121.300 0.033 0.000 2.525 182 W HA -0.042 4.614 4.660 -0.006 0.000 0.259 182 W C 0.059 176.620 176.519 0.070 0.000 1.253 182 W CA 0.135 57.526 57.345 0.076 0.000 1.262 182 W CB -0.729 28.784 29.460 0.089 0.000 1.122 182 W HN 0.210 nan 8.180 nan 0.000 0.607 183 L N 0.891 121.742 121.223 -0.620 0.000 2.607 183 L HA 0.170 4.506 4.340 -0.006 0.000 0.228 183 L C 2.766 179.456 176.870 -0.301 0.000 1.123 183 L CA -0.009 54.439 54.840 -0.652 0.000 0.890 183 L CB -0.623 40.937 42.059 -0.832 0.000 1.103 183 L HN -0.108 nan 8.230 nan 0.000 0.468 184 R N 0.731 121.101 120.500 -0.217 0.000 2.133 184 R HA -0.251 4.086 4.340 -0.006 0.000 0.245 184 R C 1.419 177.521 176.300 -0.330 0.000 1.137 184 R CA 2.227 58.158 56.100 -0.281 0.000 0.947 184 R CB -0.264 29.827 30.300 -0.347 0.000 0.865 184 R HN 0.291 nan 8.270 nan 0.000 0.437 185 Y N -0.374 119.937 120.300 0.019 0.000 2.461 185 Y HA 0.321 4.867 4.550 -0.006 0.000 0.277 185 Y C 0.858 176.741 175.900 -0.029 0.000 1.182 185 Y CA 0.532 58.644 58.100 0.021 0.000 1.276 185 Y CB 0.716 39.291 38.460 0.192 0.000 1.087 185 Y HN 0.479 nan 8.280 nan 0.000 0.519 186 G N 1.218 110.057 108.800 0.064 0.000 2.662 186 G HA2 -0.214 3.743 3.960 -0.006 0.000 0.686 186 G HA3 -0.214 3.743 3.960 -0.006 0.000 0.686 186 G C -1.232 173.745 174.900 0.129 0.000 1.271 186 G CA -0.825 44.288 45.100 0.021 0.000 0.816 186 G HN 0.242 nan 8.290 nan 0.000 0.608 187 N N 1.256 119.977 118.700 0.034 0.000 2.569 187 N HA 0.543 5.280 4.740 -0.006 0.000 0.254 187 N C -0.589 174.922 175.510 0.002 0.000 1.004 187 N CA -1.905 51.179 53.050 0.056 0.000 0.904 187 N CB 2.028 40.484 38.487 -0.052 0.000 1.165 187 N HN 0.268 nan 8.380 nan 0.000 0.513 188 P HA -0.011 nan 4.420 nan 0.000 0.226 188 P C 0.600 177.566 177.300 -0.556 0.000 1.153 188 P CA 0.772 63.553 63.100 -0.532 0.000 0.777 188 P CB 0.121 31.199 31.700 -1.037 0.000 0.794 189 W N 1.922 123.227 121.300 0.007 0.000 2.576 189 W HA 0.056 4.712 4.660 -0.006 0.000 0.270 189 W C 1.353 177.913 176.519 0.068 0.000 1.255 189 W CA -0.310 57.040 57.345 0.008 0.000 1.314 189 W CB -0.331 29.134 29.460 0.008 0.000 1.101 189 W HN 0.014 nan 8.180 nan 0.000 0.595 190 E N 1.754 122.127 120.200 0.288 0.000 2.318 190 E HA 0.323 4.669 4.350 -0.006 0.000 0.265 190 E C -0.579 176.186 176.600 0.276 0.000 1.069 190 E CA -0.711 55.869 56.400 0.301 0.000 0.893 190 E CB 1.268 31.158 29.700 0.316 0.000 1.076 190 E HN -0.325 nan 8.360 nan 0.000 0.414 191 K N 1.430 122.004 120.400 0.290 0.000 2.579 191 K HA 0.411 4.727 4.320 -0.006 0.000 0.250 191 K C -1.256 175.349 176.600 0.008 0.000 0.952 191 K CA -0.467 55.917 56.287 0.162 0.000 0.857 191 K CB 1.518 34.119 32.500 0.168 0.000 1.123 191 K HN 0.669 nan 8.250 nan 0.000 0.433 192 A N 4.075 126.808 122.820 -0.144 0.000 2.511 192 A HA 0.368 4.684 4.320 -0.006 0.000 0.242 192 A C -0.233 177.119 177.584 -0.386 0.000 1.069 192 A CA -0.112 51.581 52.037 -0.574 0.000 0.763 192 A CB 0.218 18.866 19.000 -0.587 0.000 1.001 192 A HN 0.657 nan 8.150 nan 0.000 0.498 193 R N 3.127 123.377 120.500 -0.416 0.000 2.886 193 R HA 0.199 4.535 4.340 -0.006 0.000 0.306 193 R C -2.296 173.809 176.300 -0.325 0.000 1.300 193 R CA -1.762 54.119 56.100 -0.366 0.000 1.441 193 R CB 0.545 30.704 30.300 -0.236 0.000 1.328 193 R HN 0.600 nan 8.270 nan 0.000 0.629 194 P HA -0.208 nan 4.420 nan 0.000 0.220 194 P C 0.836 178.055 177.300 -0.135 0.000 1.144 194 P CA 1.222 64.229 63.100 -0.155 0.000 0.800 194 P CB 0.381 32.002 31.700 -0.130 0.000 0.772 195 E N 0.053 120.075 120.200 -0.296 0.000 2.338 195 E HA -0.131 4.216 4.350 -0.006 0.000 0.197 195 E C 1.194 177.759 176.600 -0.058 0.000 1.007 195 E CA 0.740 56.978 56.400 -0.270 0.000 0.849 195 E CB -1.038 28.379 29.700 -0.472 0.000 0.774 195 E HN 0.408 nan 8.360 nan 0.000 0.506 196 F N 1.892 121.856 119.950 0.023 0.000 2.668 196 F HA 0.207 4.731 4.527 -0.006 0.000 0.297 196 F C 0.507 176.400 175.800 0.155 0.000 1.124 196 F CA -0.730 57.313 58.000 0.073 0.000 1.353 196 F CB 0.560 39.594 39.000 0.058 0.000 0.992 196 F HN -0.263 nan 8.300 nan 0.000 0.524 197 T N 2.914 117.629 114.554 0.268 0.000 2.928 197 T HA 0.195 4.541 4.350 -0.006 0.000 0.305 197 T C -0.207 174.604 174.700 0.184 0.000 1.035 197 T CA 0.315 62.562 62.100 0.244 0.000 1.145 197 T CB 0.833 69.793 68.868 0.154 0.000 0.963 197 T HN -0.114 nan 8.240 nan 0.000 0.545 198 L N 5.527 126.823 121.223 0.121 0.000 2.354 198 L HA 0.580 4.917 4.340 -0.006 0.000 0.264 198 L C -2.196 174.623 176.870 -0.084 0.000 1.008 198 L CA -2.525 52.306 54.840 -0.016 0.000 0.819 198 L CB 1.913 43.892 42.059 -0.133 0.000 1.339 198 L HN 0.389 nan 8.230 nan 0.000 0.420 199 P HA 0.379 nan 4.420 nan 0.000 0.288 199 P C -1.265 175.880 177.300 -0.259 0.000 1.267 199 P CA -0.407 62.596 63.100 -0.162 0.000 0.815 199 P CB 1.974 33.576 31.700 -0.163 0.000 0.989 200 V N 3.969 123.715 119.914 -0.279 0.000 2.540 200 V HA 0.322 4.438 4.120 -0.006 0.000 0.302 200 V C 0.218 176.056 176.094 -0.425 0.000 1.035 200 V CA -0.624 61.491 62.300 -0.308 0.000 0.873 200 V CB 1.456 33.162 31.823 -0.195 0.000 0.992 200 V HN 0.609 nan 8.190 nan 0.000 0.428 201 H N 3.864 122.770 119.070 -0.274 0.000 2.463 201 H HA 0.630 5.182 4.556 -0.006 0.000 0.332 201 H C -1.265 173.788 175.328 -0.459 0.000 1.127 201 H CA -0.130 55.679 56.048 -0.397 0.000 1.238 201 H CB 1.864 31.145 29.762 -0.801 0.000 1.478 201 H HN 0.482 nan 8.280 nan 0.000 0.499 202 F N 0.214 120.204 119.950 0.066 0.000 2.613 202 F HA 0.203 4.726 4.527 -0.006 0.000 0.314 202 F C -0.281 175.608 175.800 0.148 0.000 1.075 202 F CA -0.575 57.460 58.000 0.059 0.000 0.945 202 F CB 1.101 40.038 39.000 -0.104 0.000 1.310 202 F HN 0.542 nan 8.300 nan 0.000 0.467 203 Y N 0.241 120.824 120.300 0.471 0.000 2.904 203 Y HA -0.009 4.537 4.550 -0.006 0.000 0.466 203 Y C 1.350 177.489 175.900 0.398 0.000 1.202 203 Y CA 0.686 58.986 58.100 0.332 0.000 2.492 203 Y CB -1.904 36.680 38.460 0.207 0.000 1.237 203 Y HN 1.307 nan 8.280 nan 0.000 0.633 204 G N 0.658 109.723 108.800 0.442 0.000 2.593 204 G HA2 0.114 4.070 3.960 -0.006 0.000 0.237 204 G HA3 0.114 4.070 3.960 -0.006 0.000 0.237 204 G C -0.556 174.552 174.900 0.346 0.000 1.312 204 G CA 0.930 46.212 45.100 0.304 0.000 0.896 204 G HN 1.372 nan 8.290 nan 0.000 0.574 205 R N -2.569 118.132 120.500 0.335 0.000 2.752 205 R HA 0.708 5.044 4.340 -0.006 0.000 0.271 205 R C -1.389 175.048 176.300 0.229 0.000 1.026 205 R CA -0.975 55.267 56.100 0.236 0.000 0.901 205 R CB 1.295 31.677 30.300 0.138 0.000 1.243 205 R HN 0.911 nan 8.270 nan 0.000 0.463 206 V N 0.816 120.774 119.914 0.073 0.000 2.435 206 V HA 0.366 4.483 4.120 -0.006 0.000 0.290 206 V C -0.231 175.779 176.094 -0.141 0.000 1.030 206 V CA -0.567 61.699 62.300 -0.057 0.000 0.881 206 V CB 1.387 33.093 31.823 -0.194 0.000 0.983 206 V HN 0.698 nan 8.190 nan 0.000 0.445 207 E N 2.888 122.994 120.200 -0.157 0.000 2.158 207 E HA 0.392 4.738 4.350 -0.006 0.000 0.271 207 E C -1.050 175.421 176.600 -0.214 0.000 0.911 207 E CA -0.701 55.625 56.400 -0.124 0.000 0.767 207 E CB 0.897 30.580 29.700 -0.028 0.000 1.120 207 E HN 0.673 nan 8.360 nan 0.000 0.405 208 H N 2.670 121.755 119.070 0.025 0.000 2.641 208 H HA 0.215 4.768 4.556 -0.006 0.000 0.295 208 H C -0.227 175.110 175.328 0.015 0.000 1.070 208 H CA -0.181 55.876 56.048 0.016 0.000 1.257 208 H CB 0.777 30.544 29.762 0.009 0.000 1.393 208 H HN 0.477 nan 8.280 nan 0.000 0.464 209 T N -0.441 114.176 114.554 0.106 0.000 2.907 209 T HA 0.286 4.632 4.350 -0.006 0.000 0.292 209 T C 1.242 175.977 174.700 0.058 0.000 1.043 209 T CA -0.532 61.609 62.100 0.068 0.000 1.003 209 T CB 2.019 70.912 68.868 0.041 0.000 1.084 209 T HN 0.420 nan 8.240 nan 0.000 0.483 210 S N 1.218 116.944 115.700 0.043 0.000 2.209 210 S HA -0.315 4.151 4.470 -0.006 0.000 0.488 210 S C 0.811 175.433 174.600 0.036 0.000 0.996 210 S CA 2.076 60.296 58.200 0.033 0.000 2.940 210 S CB -0.996 62.220 63.200 0.026 0.000 2.109 210 S HN 0.911 nan 8.310 nan 0.000 0.533 211 Q N 1.515 121.336 119.800 0.035 0.000 2.563 211 Q HA 0.550 4.886 4.340 -0.006 0.000 0.232 211 Q C 0.134 176.160 176.000 0.042 0.000 1.106 211 Q CA 0.759 56.583 55.803 0.036 0.000 0.913 211 Q CB 0.609 29.364 28.738 0.029 0.000 1.175 211 Q HN 0.804 nan 8.270 nan 0.000 0.540 212 G N 1.030 109.865 108.800 0.058 0.000 2.663 212 G HA2 0.147 4.104 3.960 -0.006 0.000 0.686 212 G HA3 0.147 4.104 3.960 -0.006 0.000 0.686 212 G C -0.887 174.060 174.900 0.077 0.000 1.288 212 G CA -0.654 44.486 45.100 0.067 0.000 0.836 212 G HN 0.726 nan 8.290 nan 0.000 0.584 213 A N 0.491 123.353 122.820 0.071 0.000 2.293 213 A HA 0.842 5.158 4.320 -0.006 0.000 0.302 213 A C 0.367 177.929 177.584 -0.037 0.000 1.119 213 A CA -0.086 51.942 52.037 -0.015 0.000 0.823 213 A CB 0.917 19.886 19.000 -0.052 0.000 1.097 213 A HN 0.811 nan 8.150 nan 0.000 0.491 214 K N 0.588 120.949 120.400 -0.065 0.000 2.427 214 K HA 0.247 4.563 4.320 -0.006 0.000 0.252 214 K C -1.803 174.837 176.600 0.066 0.000 0.931 214 K CA -0.373 55.915 56.287 0.001 0.000 0.793 214 K CB 2.227 34.727 32.500 -0.000 0.000 1.211 214 K HN 0.703 nan 8.250 nan 0.000 0.426 215 W N 4.843 126.064 121.300 -0.131 0.000 2.308 215 W HA 0.424 5.080 4.660 -0.006 0.000 0.311 215 W C -1.112 175.342 176.519 -0.109 0.000 1.088 215 W CA -0.838 56.433 57.345 -0.123 0.000 1.309 215 W CB 0.491 29.867 29.460 -0.141 0.000 1.229 215 W HN 0.272 nan 8.180 nan 0.000 0.427 216 V N 6.314 126.278 119.914 0.083 0.000 3.155 216 V HA 0.479 4.595 4.120 -0.006 0.000 0.313 216 V C -0.408 175.657 176.094 -0.048 0.000 1.162 216 V CA -0.513 61.755 62.300 -0.055 0.000 1.048 216 V CB 2.020 33.841 31.823 -0.004 0.000 1.092 216 V HN 0.456 nan 8.190 nan 0.000 0.447 217 D N 1.395 121.768 120.400 -0.045 0.000 2.772 217 D HA -0.125 4.512 4.640 -0.006 0.000 0.233 217 D C 0.349 176.649 176.300 0.000 0.000 1.143 217 D CA 1.356 55.354 54.000 -0.003 0.000 0.700 217 D CB -1.447 39.374 40.800 0.036 0.000 1.076 217 D HN 0.980 nan 8.370 nan 0.000 0.430 218 T N -3.028 111.477 114.554 -0.082 0.000 2.902 218 T HA 0.417 4.764 4.350 -0.006 0.000 0.280 218 T C 0.280 175.023 174.700 0.071 0.000 0.992 218 T CA -0.828 61.237 62.100 -0.058 0.000 1.015 218 T CB 2.641 71.298 68.868 -0.352 0.000 1.044 218 T HN 0.174 nan 8.240 nan 0.000 0.520 219 Q N 0.797 120.703 119.800 0.176 0.000 2.241 219 Q HA 0.541 4.877 4.340 -0.006 0.000 0.254 219 Q C -1.477 174.616 176.000 0.155 0.000 0.917 219 Q CA -0.833 55.085 55.803 0.191 0.000 0.919 219 Q CB 1.256 30.184 28.738 0.316 0.000 1.237 219 Q HN 0.627 nan 8.270 nan 0.000 0.434 220 V N 4.104 124.058 119.914 0.066 0.000 2.483 220 V HA 0.479 4.595 4.120 -0.006 0.000 0.295 220 V C -0.482 175.654 176.094 0.069 0.000 1.035 220 V CA -0.664 61.613 62.300 -0.039 0.000 0.896 220 V CB 1.749 33.490 31.823 -0.137 0.000 0.986 220 V HN 0.616 nan 8.190 nan 0.000 0.447 221 V N 5.742 125.726 119.914 0.116 0.000 2.588 221 V HA 0.471 4.587 4.120 -0.006 0.000 0.304 221 V C -0.229 175.971 176.094 0.176 0.000 1.042 221 V CA -0.587 61.828 62.300 0.192 0.000 0.877 221 V CB 1.937 33.964 31.823 0.341 0.000 0.996 221 V HN 0.644 nan 8.190 nan 0.000 0.425 222 L N 3.664 124.990 121.223 0.170 0.000 2.350 222 L HA 0.719 5.055 4.340 -0.006 0.000 0.275 222 L C 0.515 177.576 176.870 0.320 0.000 1.099 222 L CA -0.301 54.640 54.840 0.168 0.000 0.808 222 L CB 1.312 43.450 42.059 0.131 0.000 1.149 222 L HN 0.757 nan 8.230 nan 0.000 0.442 223 A N 5.233 128.183 122.820 0.217 0.000 2.267 223 A HA 0.558 4.874 4.320 -0.006 0.000 0.315 223 A C -0.443 177.416 177.584 0.458 0.000 1.297 223 A CA -0.465 51.730 52.037 0.263 0.000 0.865 223 A CB 0.809 19.500 19.000 -0.514 0.000 1.165 223 A HN 0.784 nan 8.150 nan 0.000 0.513 224 M N 6.358 126.287 119.600 0.548 0.000 2.129 224 M HA 0.432 4.908 4.480 -0.006 0.000 0.348 224 M C -2.577 174.001 176.300 0.463 0.000 1.116 224 M CA -2.131 53.430 55.300 0.435 0.000 1.022 224 M CB 1.986 34.767 32.600 0.300 0.000 1.599 224 M HN 0.379 nan 8.290 nan 0.000 0.449 225 P HA 0.246 nan 4.420 nan 0.000 0.286 225 P C -1.956 175.286 177.300 -0.097 0.000 1.261 225 P CA -0.107 62.927 63.100 -0.110 0.000 0.821 225 P CB 0.741 32.146 31.700 -0.493 0.000 1.013 226 Y N 0.539 120.781 120.300 -0.096 0.000 2.338 226 Y HA 0.317 4.863 4.550 -0.006 0.000 0.333 226 Y C 0.163 176.055 175.900 -0.014 0.000 0.968 226 Y CA -0.287 57.810 58.100 -0.006 0.000 1.123 226 Y CB 1.442 39.929 38.460 0.046 0.000 1.165 226 Y HN 0.220 nan 8.280 nan 0.000 0.452 227 D N 1.864 122.370 120.400 0.177 0.000 2.168 227 D HA 0.444 5.080 4.640 -0.006 0.000 0.246 227 D C -0.605 175.925 176.300 0.384 0.000 1.050 227 D CA -0.238 53.911 54.000 0.249 0.000 0.857 227 D CB 1.819 42.795 40.800 0.293 0.000 1.169 227 D HN 0.364 nan 8.370 nan 0.000 0.453 228 T N 2.944 117.637 114.554 0.232 0.000 2.824 228 T HA 0.466 4.812 4.350 -0.006 0.000 0.282 228 T C -2.542 172.009 174.700 -0.249 0.000 0.993 228 T CA -1.429 60.706 62.100 0.059 0.000 0.967 228 T CB 2.127 71.019 68.868 0.039 0.000 0.960 228 T HN 0.182 nan 8.240 nan 0.000 0.441 229 P HA 0.318 nan 4.420 nan 0.000 0.275 229 P C -1.019 175.950 177.300 -0.552 0.000 1.227 229 P CA -0.387 62.022 63.100 -1.151 0.000 0.781 229 P CB 0.905 31.690 31.700 -1.525 0.000 0.906 230 V N 5.177 124.828 119.914 -0.437 0.000 2.340 230 V HA 0.251 4.368 4.120 -0.006 0.000 0.277 230 V C -2.013 173.951 176.094 -0.217 0.000 1.017 230 V CA -1.900 60.241 62.300 -0.264 0.000 0.820 230 V CB 1.360 33.075 31.823 -0.181 0.000 1.028 230 V HN 0.558 nan 8.190 nan 0.000 0.436 231 P HA 0.255 nan 4.420 nan 0.000 0.280 231 P C 0.346 177.599 177.300 -0.078 0.000 1.244 231 P CA 0.347 63.363 63.100 -0.141 0.000 0.784 231 P CB 1.706 33.319 31.700 -0.145 0.000 0.913 232 G N 2.225 110.997 108.800 -0.046 0.000 2.562 232 G HA2 0.162 4.119 3.960 -0.006 0.000 0.275 232 G HA3 0.162 4.119 3.960 -0.006 0.000 0.275 232 G C -1.227 173.689 174.900 0.027 0.000 1.196 232 G CA -0.628 44.473 45.100 0.002 0.000 0.908 232 G HN 0.531 nan 8.290 nan 0.000 0.524 233 Y N 0.477 120.742 120.300 -0.059 0.000 2.584 233 Y HA 0.289 4.835 4.550 -0.006 0.000 0.351 233 Y C 1.214 177.079 175.900 -0.059 0.000 1.030 233 Y CA -0.293 57.767 58.100 -0.066 0.000 1.332 233 Y CB 0.161 38.580 38.460 -0.069 0.000 1.148 233 Y HN 0.699 nan 8.280 nan 0.000 0.528 234 R N 2.781 122.979 120.500 -0.504 0.000 3.610 234 R HA -0.320 4.017 4.340 -0.006 0.000 0.274 234 R C 0.035 176.201 176.300 -0.224 0.000 1.123 234 R CA 1.505 57.340 56.100 -0.442 0.000 0.747 234 R CB -1.895 27.984 30.300 -0.702 0.000 1.149 234 R HN 0.944 nan 8.270 nan 0.000 0.471 235 N N -1.418 117.203 118.700 -0.131 0.000 2.177 235 N HA 0.065 4.801 4.740 -0.006 0.000 0.218 235 N C -0.218 175.250 175.510 -0.069 0.000 1.182 235 N CA -0.340 52.664 53.050 -0.076 0.000 0.882 235 N CB 0.520 38.989 38.487 -0.029 0.000 1.052 235 N HN 0.080 nan 8.380 nan 0.000 0.519 236 N N -0.119 118.535 118.700 -0.077 0.000 2.753 236 N HA -0.131 4.605 4.740 -0.006 0.000 0.251 236 N C -0.991 174.487 175.510 -0.054 0.000 1.097 236 N CA 0.578 53.591 53.050 -0.062 0.000 0.786 236 N CB -1.279 37.171 38.487 -0.062 0.000 1.137 236 N HN 0.188 nan 8.380 nan 0.000 0.566 237 V N 1.085 120.972 119.914 -0.046 0.000 2.439 237 V HA 0.467 4.583 4.120 -0.006 0.000 0.282 237 V C 0.592 176.667 176.094 -0.032 0.000 1.039 237 V CA -0.509 61.773 62.300 -0.030 0.000 0.913 237 V CB 2.200 34.029 31.823 0.011 0.000 0.983 237 V HN -0.042 nan 8.190 nan 0.000 0.460 238 V N 5.245 125.148 119.914 -0.018 0.000 2.419 238 V HA 0.427 4.543 4.120 -0.006 0.000 0.287 238 V C -0.120 175.978 176.094 0.008 0.000 1.017 238 V CA -0.839 61.421 62.300 -0.067 0.000 0.844 238 V CB 1.406 33.172 31.823 -0.094 0.000 1.011 238 V HN 0.843 nan 8.190 nan 0.000 0.429 239 N N 1.977 120.651 118.700 -0.042 0.000 2.418 239 N HA 0.577 5.314 4.740 -0.006 0.000 0.283 239 N C -0.007 175.499 175.510 -0.006 0.000 1.267 239 N CA -0.270 52.780 53.050 0.000 0.000 0.975 239 N CB 1.166 39.605 38.487 -0.080 0.000 1.167 239 N HN 0.582 nan 8.380 nan 0.000 0.581 240 T N 0.645 115.214 114.554 0.024 0.000 2.863 240 T HA 0.437 4.783 4.350 -0.006 0.000 0.285 240 T C -0.305 174.380 174.700 -0.025 0.000 1.009 240 T CA -0.530 61.652 62.100 0.137 0.000 0.989 240 T CB 1.235 70.331 68.868 0.379 0.000 1.004 240 T HN 0.316 nan 8.240 nan 0.000 0.455 241 M N 3.495 123.045 119.600 -0.084 0.000 2.114 241 M HA 0.512 4.989 4.480 -0.006 0.000 0.332 241 M C -0.618 175.545 176.300 -0.228 0.000 1.014 241 M CA -0.750 54.404 55.300 -0.244 0.000 0.956 241 M CB 0.867 33.268 32.600 -0.332 0.000 1.551 241 M HN 0.497 nan 8.290 nan 0.000 0.427 242 R N 4.787 125.044 120.500 -0.404 0.000 2.265 242 R HA 0.555 4.891 4.340 -0.006 0.000 0.328 242 R C -1.977 174.061 176.300 -0.436 0.000 0.969 242 R CA -0.588 55.235 56.100 -0.460 0.000 0.832 242 R CB 0.907 30.761 30.300 -0.744 0.000 1.139 242 R HN 0.635 nan 8.270 nan 0.000 0.457 243 L N 5.609 126.678 121.223 -0.256 0.000 2.313 243 L HA 0.458 4.794 4.340 -0.006 0.000 0.283 243 L C -0.989 175.857 176.870 -0.039 0.000 1.013 243 L CA -0.554 54.231 54.840 -0.092 0.000 0.816 243 L CB 1.101 43.184 42.059 0.040 0.000 1.236 243 L HN 0.618 nan 8.230 nan 0.000 0.419 244 W N 2.276 123.704 121.300 0.214 0.000 2.316 244 W HA 0.582 5.239 4.660 -0.006 0.000 0.321 244 W C 0.605 177.361 176.519 0.393 0.000 1.203 244 W CA -0.232 57.260 57.345 0.245 0.000 1.214 244 W CB 1.307 30.762 29.460 -0.009 0.000 1.169 244 W HN 0.454 nan 8.180 nan 0.000 0.561 245 S N 1.839 117.963 115.700 0.707 0.000 2.500 245 S HA 0.766 5.232 4.470 -0.006 0.000 0.301 245 S C -0.492 174.467 174.600 0.598 0.000 1.092 245 S CA -0.744 57.777 58.200 0.536 0.000 1.030 245 S CB 0.638 64.090 63.200 0.419 0.000 1.031 245 S HN 0.551 nan 8.310 nan 0.000 0.483 246 A N 4.850 127.866 122.820 0.326 0.000 2.366 246 A HA 0.645 4.962 4.320 -0.006 0.000 0.272 246 A C -0.087 177.597 177.584 0.167 0.000 1.135 246 A CA -0.231 51.896 52.037 0.151 0.000 0.804 246 A CB 0.334 19.150 19.000 -0.306 0.000 1.064 246 A HN 0.664 nan 8.150 nan 0.000 0.499 247 K N 1.031 121.547 120.400 0.193 0.000 2.427 247 K HA 0.613 4.930 4.320 -0.006 0.000 0.252 247 K C -0.531 176.135 176.600 0.111 0.000 0.931 247 K CA -0.409 55.965 56.287 0.144 0.000 0.793 247 K CB 2.258 34.856 32.500 0.163 0.000 1.211 247 K HN 0.838 nan 8.250 nan 0.000 0.426 248 A N 4.143 127.009 122.820 0.077 0.000 2.340 248 A HA 0.519 4.836 4.320 -0.006 0.000 0.268 248 A C -2.095 175.524 177.584 0.058 0.000 1.100 248 A CA -1.090 50.984 52.037 0.061 0.000 0.803 248 A CB -0.182 18.842 19.000 0.040 0.000 1.043 248 A HN 0.390 nan 8.150 nan 0.000 0.488 249 P HA 0.095 nan 4.420 nan 0.000 0.274 249 P C 0.001 177.324 177.300 0.038 0.000 1.237 249 P CA -0.415 62.711 63.100 0.042 0.000 0.793 249 P CB 0.680 32.399 31.700 0.033 0.000 0.977 250 N N 0.471 119.193 118.700 0.037 0.000 2.422 250 N HA -0.053 4.683 4.740 -0.006 0.000 0.181 250 N C 0.122 175.656 175.510 0.039 0.000 1.080 250 N CA 0.236 53.308 53.050 0.038 0.000 0.893 250 N CB -0.251 38.259 38.487 0.039 0.000 0.973 250 N HN 0.427 nan 8.380 nan 0.000 0.456 262 Y N 2.536 122.838 120.300 0.003 0.000 2.097 262 Y HA -0.139 4.407 4.550 -0.006 0.000 0.282 262 Y C 2.420 178.323 175.900 0.005 0.000 1.152 262 Y CA 2.093 60.196 58.100 0.004 0.000 1.136 262 Y CB 0.016 38.478 38.460 0.004 0.000 0.975 262 Y HN 0.392 nan 8.280 nan 0.000 0.498 263 I N 0.535 121.017 120.570 -0.147 0.000 2.127 263 I HA -0.333 3.833 4.170 -0.006 0.000 0.241 263 I C 2.423 178.420 176.117 -0.201 0.000 1.075 263 I CA 1.613 62.776 61.300 -0.230 0.000 1.334 263 I CB -1.456 36.522 38.000 -0.037 0.000 1.040 263 I HN 0.380 nan 8.210 nan 0.000 0.405 264 Q N 0.416 120.154 119.800 -0.104 0.000 2.135 264 Q HA -0.154 4.182 4.340 -0.006 0.000 0.204 264 Q C 2.358 178.301 176.000 -0.095 0.000 0.981 264 Q CA 1.919 57.676 55.803 -0.077 0.000 0.856 264 Q CB -0.343 28.373 28.738 -0.038 0.000 0.902 264 Q HN 0.571 nan 8.270 nan 0.000 0.425 265 A N -0.110 122.641 122.820 -0.115 0.000 1.933 265 A HA -0.122 4.195 4.320 -0.006 0.000 0.218 265 A C 2.387 179.891 177.584 -0.133 0.000 1.175 265 A CA 1.518 53.495 52.037 -0.099 0.000 0.628 265 A CB -0.524 18.433 19.000 -0.071 0.000 0.814 265 A HN 0.226 nan 8.150 nan 0.000 0.444 266 V N 0.105 119.876 119.914 -0.238 0.000 2.379 266 V HA -0.201 3.916 4.120 -0.006 0.000 0.245 266 V C 2.489 178.511 176.094 -0.121 0.000 1.044 266 V CA 1.708 63.883 62.300 -0.209 0.000 1.036 266 V CB -0.683 30.937 31.823 -0.337 0.000 0.664 266 V HN 0.565 nan 8.190 nan 0.000 0.453 267 L N -0.222 120.933 121.223 -0.114 0.000 2.141 267 L HA -0.138 4.198 4.340 -0.006 0.000 0.209 267 L C 1.991 178.834 176.870 -0.044 0.000 1.094 267 L CA 1.194 55.994 54.840 -0.066 0.000 0.763 267 L CB -0.653 41.371 42.059 -0.058 0.000 0.908 267 L HN 0.332 nan 8.230 nan 0.000 0.437 268 D N 0.026 120.397 120.400 -0.048 0.000 2.371 268 D HA -0.074 4.563 4.640 -0.006 0.000 0.221 268 D C 2.127 178.414 176.300 -0.021 0.000 0.986 268 D CA 0.451 54.432 54.000 -0.031 0.000 0.899 268 D CB 0.008 40.790 40.800 -0.031 0.000 0.902 268 D HN 0.237 nan 8.370 nan 0.000 0.530 269 R N 0.459 120.945 120.500 -0.023 0.000 2.152 269 R HA -0.006 4.330 4.340 -0.006 0.000 0.232 269 R C 0.863 177.164 176.300 0.002 0.000 1.117 269 R CA 0.546 56.642 56.100 -0.007 0.000 0.981 269 R CB -0.085 30.212 30.300 -0.006 0.000 0.870 269 R HN 0.086 nan 8.270 nan 0.000 0.451 270 N N 0.792 119.491 118.700 -0.000 0.000 2.542 270 N HA -0.040 4.697 4.740 -0.006 0.000 0.234 270 N C 0.288 175.800 175.510 0.004 0.000 1.257 270 N CA 0.504 53.559 53.050 0.009 0.000 0.883 270 N CB 0.551 39.045 38.487 0.012 0.000 1.197 270 N HN 0.123 nan 8.380 nan 0.000 0.488 271 L N -0.593 120.629 121.223 -0.002 0.000 2.624 271 L HA 0.286 4.622 4.340 -0.006 0.000 0.222 271 L C 2.050 178.908 176.870 -0.021 0.000 1.046 271 L CA 0.611 55.446 54.840 -0.009 0.000 0.872 271 L CB -0.378 41.674 42.059 -0.010 0.000 1.190 271 L HN 0.048 nan 8.230 nan 0.000 0.487 272 A N -0.624 122.186 122.820 -0.015 0.000 1.935 272 A HA -0.062 4.254 4.320 -0.006 0.000 0.214 272 A C 1.911 179.466 177.584 -0.048 0.000 1.178 272 A CA 1.013 53.032 52.037 -0.029 0.000 0.640 272 A CB -0.272 18.735 19.000 0.012 0.000 0.825 272 A HN 0.441 nan 8.150 nan 0.000 0.447 273 E N 0.334 120.526 120.200 -0.014 0.000 2.427 273 E HA -0.079 4.267 4.350 -0.006 0.000 0.196 273 E C 0.862 177.462 176.600 -0.000 0.000 1.028 273 E CA 0.231 56.629 56.400 -0.003 0.000 0.864 273 E CB -0.153 29.568 29.700 0.035 0.000 0.813 273 E HN 0.437 nan 8.360 nan 0.000 0.514 274 N N 1.061 119.760 118.700 -0.002 0.000 2.453 274 N HA -0.071 4.665 4.740 -0.006 0.000 0.183 274 N C 1.610 177.134 175.510 0.023 0.000 1.041 274 N CA 0.563 53.630 53.050 0.028 0.000 0.900 274 N CB -0.022 38.478 38.487 0.021 0.000 0.961 274 N HN 0.273 nan 8.380 nan 0.000 0.443 275 I N 0.330 120.859 120.570 -0.068 0.000 2.264 275 I HA -0.235 3.931 4.170 -0.006 0.000 0.248 275 I C 1.383 177.490 176.117 -0.015 0.000 1.111 275 I CA 1.199 62.429 61.300 -0.116 0.000 1.382 275 I CB -0.167 37.598 38.000 -0.391 0.000 1.060 275 I HN 0.122 nan 8.210 nan 0.000 0.418 276 S N -0.570 115.122 115.700 -0.012 0.000 2.575 276 S HA 0.188 4.655 4.470 -0.006 0.000 0.237 276 S C 1.464 176.221 174.600 0.261 0.000 0.975 276 S CA -0.553 57.728 58.200 0.136 0.000 0.960 276 S CB 0.267 63.534 63.200 0.112 0.000 0.822 276 S HN 0.204 nan 8.310 nan 0.000 0.472 277 R N 1.293 121.945 120.500 0.254 0.000 2.062 277 R HA 0.279 4.615 4.340 -0.006 0.000 0.229 277 R C 0.439 177.005 176.300 0.444 0.000 1.128 277 R CA 1.168 57.461 56.100 0.321 0.000 0.960 277 R CB -0.217 30.229 30.300 0.242 0.000 0.855 277 R HN 0.401 nan 8.270 nan 0.000 0.432 278 V N 0.120 120.244 119.914 0.350 0.000 3.012 278 V HA 0.371 4.487 4.120 -0.006 0.000 0.307 278 V C -1.650 174.407 176.094 -0.062 0.000 1.166 278 V CA -1.386 61.041 62.300 0.212 0.000 0.974 278 V CB 1.799 33.670 31.823 0.081 0.000 1.040 278 V HN 0.140 nan 8.190 nan 0.000 0.428 279 L N 6.166 127.132 121.223 -0.428 0.000 2.367 279 L HA 0.497 4.833 4.340 -0.006 0.000 0.275 279 L C -0.936 175.781 176.870 -0.256 0.000 1.129 279 L CA 0.406 54.788 54.840 -0.763 0.000 0.839 279 L CB 0.593 42.148 42.059 -0.840 0.000 1.133 279 L HN 0.680 nan 8.230 nan 0.000 0.453 280 Y N 6.751 126.961 120.300 -0.149 0.000 2.496 280 Y HA 0.233 4.779 4.550 -0.006 0.000 0.334 280 Y C -1.367 174.531 175.900 -0.003 0.000 1.080 280 Y CA -1.363 56.727 58.100 -0.017 0.000 1.355 280 Y CB 0.456 38.933 38.460 0.028 0.000 1.193 280 Y HN 0.570 nan 8.280 nan 0.000 0.523 281 P HA -0.014 nan 4.420 nan 0.000 0.253 281 P C -0.842 176.595 177.300 0.229 0.000 1.508 281 P CA 0.187 63.399 63.100 0.186 0.000 0.883 281 P CB 0.101 32.001 31.700 0.334 0.000 1.519 282 N N 1.647 120.492 118.700 0.242 0.000 2.420 282 N HA 0.108 4.844 4.740 -0.006 0.000 0.249 282 N C -0.591 175.068 175.510 0.248 0.000 1.033 282 N CA 0.145 53.362 53.050 0.278 0.000 0.944 282 N CB 0.873 39.562 38.487 0.336 0.000 1.113 282 N HN 0.112 nan 8.380 nan 0.000 0.502 283 D N 1.567 122.124 120.400 0.262 0.000 2.359 283 D HA 0.205 4.842 4.640 -0.006 0.000 0.230 283 D C -0.661 175.812 176.300 0.288 0.000 1.118 283 D CA -0.284 53.857 54.000 0.235 0.000 0.844 283 D CB 0.049 40.977 40.800 0.214 0.000 1.059 283 D HN 0.378 nan 8.370 nan 0.000 0.493 284 N N 2.884 121.731 118.700 0.246 0.000 2.699 284 N HA -0.214 4.522 4.740 -0.006 0.000 0.257 284 N C -1.616 174.117 175.510 0.373 0.000 1.077 284 N CA 0.651 53.836 53.050 0.226 0.000 0.702 284 N CB -0.816 37.744 38.487 0.122 0.000 0.886 284 N HN 0.356 nan 8.380 nan 0.000 0.549 285 F N 0.473 120.511 119.950 0.146 0.000 2.704 285 F HA 0.456 4.979 4.527 -0.006 0.000 0.312 285 F C -1.911 173.984 175.800 0.159 0.000 1.108 285 F CA -1.312 56.763 58.000 0.126 0.000 1.005 285 F CB 0.908 39.951 39.000 0.072 0.000 1.277 285 F HN -0.030 nan 8.300 nan 0.000 0.445 286 F N 5.071 124.541 119.950 -0.799 0.000 2.467 286 F HA 0.581 5.104 4.527 -0.006 0.000 0.336 286 F C -0.782 174.603 175.800 -0.691 0.000 1.123 286 F CA -0.157 57.480 58.000 -0.605 0.000 0.964 286 F CB 1.160 39.870 39.000 -0.484 0.000 1.136 286 F HN 0.461 nan 8.300 nan 0.000 0.447 287 E N 3.891 123.407 120.200 -1.140 0.000 2.155 287 E HA 0.257 4.603 4.350 -0.006 0.000 0.264 287 E C -0.144 175.648 176.600 -1.346 0.000 0.886 287 E CA -0.733 55.111 56.400 -0.927 0.000 0.752 287 E CB 1.747 31.262 29.700 -0.307 0.000 1.133 287 E HN 0.897 nan 8.360 nan 0.000 0.414 288 G N 4.234 112.297 108.800 -1.229 0.000 3.316 288 G HA2 0.004 3.961 3.960 -0.006 0.000 0.255 288 G HA3 0.004 3.961 3.960 -0.006 0.000 0.255 288 G C 0.164 174.990 174.900 -0.124 0.000 0.880 288 G CA -0.211 44.374 45.100 -0.858 0.000 1.956 288 G HN 0.111 nan 8.290 nan 0.000 0.634 289 K N 0.557 120.932 120.400 -0.041 0.000 2.172 289 K HA 0.172 4.489 4.320 -0.006 0.000 0.276 289 K C 0.970 177.704 176.600 0.224 0.000 1.013 289 K CA -0.590 55.764 56.287 0.112 0.000 0.913 289 K CB 2.225 34.786 32.500 0.101 0.000 1.055 289 K HN 0.446 nan 8.250 nan 0.000 0.461 290 E N 1.809 122.108 120.200 0.165 0.000 2.085 290 E HA -0.215 4.131 4.350 -0.006 0.000 0.194 290 E C 1.500 178.126 176.600 0.044 0.000 0.994 290 E CA 1.013 57.465 56.400 0.087 0.000 0.801 290 E CB 0.176 29.927 29.700 0.085 0.000 0.743 290 E HN 0.393 nan 8.360 nan 0.000 0.453 291 L N 1.287 122.577 121.223 0.112 0.000 2.079 291 L HA -0.169 4.167 4.340 -0.006 0.000 0.210 291 L C 2.385 179.338 176.870 0.139 0.000 1.081 291 L CA 1.594 56.518 54.840 0.139 0.000 0.752 291 L CB -0.460 41.758 42.059 0.264 0.000 0.896 291 L HN 0.015 nan 8.230 nan 0.000 0.433 292 R N -0.555 119.962 120.500 0.029 0.000 2.092 292 R HA -0.109 4.227 4.340 -0.006 0.000 0.231 292 R C 2.201 178.525 176.300 0.041 0.000 1.119 292 R CA 1.532 57.568 56.100 -0.107 0.000 0.970 292 R CB -1.083 28.951 30.300 -0.444 0.000 0.864 292 R HN 0.414 nan 8.270 nan 0.000 0.440 293 L N 1.445 122.611 121.223 -0.096 0.000 2.046 293 L HA -0.125 4.211 4.340 -0.006 0.000 0.208 293 L C 1.936 178.736 176.870 -0.117 0.000 1.077 293 L CA 1.877 56.446 54.840 -0.452 0.000 0.747 293 L CB -0.344 41.183 42.059 -0.886 0.000 0.896 293 L HN 0.024 nan 8.230 nan 0.000 0.432 294 K N -0.984 119.402 120.400 -0.023 0.000 2.057 294 K HA -0.193 4.124 4.320 -0.006 0.000 0.207 294 K C 2.078 178.846 176.600 0.280 0.000 1.049 294 K CA 1.766 58.120 56.287 0.112 0.000 0.931 294 K CB -0.177 32.214 32.500 -0.181 0.000 0.714 294 K HN 0.518 nan 8.250 nan 0.000 0.440 295 Q N 0.625 120.552 119.800 0.211 0.000 2.084 295 Q HA -0.187 4.149 4.340 -0.006 0.000 0.202 295 Q C 1.939 178.137 176.000 0.330 0.000 0.978 295 Q CA 1.417 57.402 55.803 0.304 0.000 0.844 295 Q CB -0.035 28.901 28.738 0.329 0.000 0.898 295 Q HN 0.388 nan 8.270 nan 0.000 0.426 296 E N -0.146 120.196 120.200 0.236 0.000 2.077 296 E HA -0.210 4.137 4.350 -0.006 0.000 0.193 296 E C 1.724 178.428 176.600 0.173 0.000 0.989 296 E CA 1.030 57.549 56.400 0.199 0.000 0.800 296 E CB -0.122 29.667 29.700 0.149 0.000 0.746 296 E HN 0.323 nan 8.360 nan 0.000 0.452 297 Y N 0.304 120.640 120.300 0.060 0.000 2.263 297 Y HA -0.187 4.360 4.550 -0.006 0.000 0.292 297 Y C 1.942 177.860 175.900 0.030 0.000 1.130 297 Y CA 0.903 58.989 58.100 -0.024 0.000 1.179 297 Y CB -0.336 38.073 38.460 -0.086 0.000 0.998 297 Y HN 0.007 nan 8.280 nan 0.000 0.532 298 F N -0.257 119.675 119.950 -0.030 0.000 2.065 298 F HA -0.248 4.275 4.527 -0.006 0.000 0.298 298 F C 2.509 178.161 175.800 -0.247 0.000 1.112 298 F CA 2.016 59.954 58.000 -0.103 0.000 1.212 298 F CB -1.101 37.996 39.000 0.162 0.000 0.975 298 F HN -0.054 nan 8.300 nan 0.000 0.476 299 V N -0.435 119.442 119.914 -0.062 0.000 2.343 299 V HA -0.207 3.909 4.120 -0.006 0.000 0.247 299 V C 2.186 178.126 176.094 -0.256 0.000 1.051 299 V CA 2.008 64.237 62.300 -0.119 0.000 1.036 299 V CB -0.437 31.507 31.823 0.202 0.000 0.654 299 V HN 0.252 nan 8.190 nan 0.000 0.451 300 V N 0.552 120.323 119.914 -0.239 0.000 2.307 300 V HA -0.180 3.936 4.120 -0.006 0.000 0.245 300 V C 2.852 178.676 176.094 -0.451 0.000 1.045 300 V CA 2.152 64.290 62.300 -0.269 0.000 1.024 300 V CB -1.232 30.489 31.823 -0.169 0.000 0.651 300 V HN 0.649 nan 8.190 nan 0.000 0.449 301 A N -0.046 122.334 122.820 -0.733 0.000 1.877 301 A HA -0.149 4.167 4.320 -0.006 0.000 0.216 301 A C 2.412 179.614 177.584 -0.636 0.000 1.186 301 A CA 2.309 53.907 52.037 -0.731 0.000 0.620 301 A CB -0.870 17.479 19.000 -1.084 0.000 0.822 301 A HN 0.574 nan 8.150 nan 0.000 0.443 302 A N -1.149 121.134 122.820 -0.896 0.000 1.873 302 A HA -0.062 4.254 4.320 -0.006 0.000 0.215 302 A C 2.322 179.401 177.584 -0.841 0.000 1.186 302 A CA 2.286 53.606 52.037 -1.194 0.000 0.616 302 A CB -1.326 16.291 19.000 -2.306 0.000 0.823 302 A HN 0.433 nan 8.150 nan 0.000 0.442 303 T N 0.563 114.754 114.554 -0.605 0.000 2.684 303 T HA -0.118 4.228 4.350 -0.006 0.000 0.267 303 T C 1.819 176.243 174.700 -0.461 0.000 1.036 303 T CA 1.501 63.359 62.100 -0.403 0.000 1.148 303 T CB -0.412 68.219 68.868 -0.395 0.000 0.863 303 T HN 0.338 nan 8.240 nan 0.000 0.436 304 L N 0.690 121.688 121.223 -0.375 0.000 2.131 304 L HA -0.159 4.178 4.340 -0.006 0.000 0.210 304 L C 2.893 179.636 176.870 -0.212 0.000 1.092 304 L CA 1.371 56.041 54.840 -0.282 0.000 0.759 304 L CB -0.512 41.419 42.059 -0.212 0.000 0.903 304 L HN 0.380 nan 8.230 nan 0.000 0.435 305 Q N -0.653 119.019 119.800 -0.214 0.000 2.119 305 Q HA -0.229 4.107 4.340 -0.006 0.000 0.201 305 Q C 1.722 177.674 176.000 -0.079 0.000 0.972 305 Q CA 1.509 57.235 55.803 -0.127 0.000 0.847 305 Q CB -0.060 28.591 28.738 -0.145 0.000 0.903 305 Q HN 0.391 nan 8.270 nan 0.000 0.433 306 D N 0.633 120.978 120.400 -0.093 0.000 2.117 306 D HA -0.095 4.542 4.640 -0.006 0.000 0.198 306 D C 1.692 177.928 176.300 -0.106 0.000 0.982 306 D CA 0.865 54.855 54.000 -0.015 0.000 0.828 306 D CB -0.012 40.881 40.800 0.154 0.000 0.967 306 D HN 0.156 nan 8.370 nan 0.000 0.464 307 I N 0.285 120.687 120.570 -0.281 0.000 2.179 307 I HA -0.244 3.923 4.170 -0.006 0.000 0.242 307 I C 2.329 178.452 176.117 0.009 0.000 1.088 307 I CA 0.783 61.865 61.300 -0.363 0.000 1.357 307 I CB -0.166 37.460 38.000 -0.623 0.000 1.051 307 I HN 0.044 nan 8.210 nan 0.000 0.409 308 I N 0.207 120.836 120.570 0.098 0.000 2.252 308 I HA -0.283 3.883 4.170 -0.006 0.000 0.245 308 I C 2.792 179.070 176.117 0.268 0.000 1.102 308 I CA 1.121 62.604 61.300 0.305 0.000 1.385 308 I CB -0.474 37.651 38.000 0.208 0.000 1.064 308 I HN 0.224 nan 8.210 nan 0.000 0.414 309 R N 1.404 121.977 120.500 0.122 0.000 2.080 309 R HA -0.231 4.105 4.340 -0.006 0.000 0.236 309 R C 2.525 178.870 176.300 0.075 0.000 1.137 309 R CA 1.864 58.010 56.100 0.076 0.000 0.943 309 R CB -0.294 30.015 30.300 0.016 0.000 0.846 309 R HN 0.199 nan 8.270 nan 0.000 0.431 310 R N -0.569 119.973 120.500 0.070 0.000 2.105 310 R HA -0.183 4.153 4.340 -0.006 0.000 0.239 310 R C 2.180 178.563 176.300 0.138 0.000 1.135 310 R CA 1.779 57.925 56.100 0.077 0.000 0.967 310 R CB -0.408 29.932 30.300 0.066 0.000 0.861 310 R HN 0.300 nan 8.270 nan 0.000 0.442 311 F N 1.539 121.523 119.950 0.057 0.000 2.113 311 F HA -0.096 4.427 4.527 -0.006 0.000 0.297 311 F C 1.643 177.466 175.800 0.037 0.000 1.103 311 F CA 1.539 59.576 58.000 0.062 0.000 1.248 311 F CB -0.113 38.982 39.000 0.157 0.000 0.999 311 F HN -0.141 nan 8.300 nan 0.000 0.475 312 K N -0.032 120.325 120.400 -0.071 0.000 2.442 312 K HA -0.106 4.211 4.320 -0.006 0.000 0.199 312 K C 2.072 178.554 176.600 -0.196 0.000 1.044 312 K CA 1.161 57.317 56.287 -0.218 0.000 0.941 312 K CB -0.184 32.309 32.500 -0.011 0.000 0.759 312 K HN 0.277 nan 8.250 nan 0.000 0.472 313 S N 0.245 115.878 115.700 -0.111 0.000 2.355 313 S HA -0.002 4.464 4.470 -0.006 0.000 0.216 313 S C 0.670 175.234 174.600 -0.061 0.000 1.037 313 S CA -0.086 58.094 58.200 -0.033 0.000 0.955 313 S CB 0.042 63.277 63.200 0.060 0.000 0.877 313 S HN 0.226 nan 8.310 nan 0.000 0.488 326 F N 0.676 120.718 119.950 0.153 0.000 2.804 326 F HA 0.104 4.628 4.527 -0.006 0.000 0.303 326 F C 1.343 177.209 175.800 0.110 0.000 1.154 326 F CA 0.225 58.307 58.000 0.138 0.000 1.401 326 F CB 0.193 39.150 39.000 -0.072 0.000 1.106 326 F HN 0.504 nan 8.300 nan 0.000 0.568 327 D N 0.277 120.812 120.400 0.224 0.000 2.219 327 D HA -0.128 4.508 4.640 -0.006 0.000 0.205 327 D C 2.128 178.520 176.300 0.153 0.000 0.970 327 D CA 1.127 55.220 54.000 0.154 0.000 0.851 327 D CB -0.012 40.853 40.800 0.108 0.000 0.943 327 D HN 0.239 nan 8.370 nan 0.000 0.488 328 A N -0.701 122.239 122.820 0.199 0.000 2.275 328 A HA 0.129 4.446 4.320 -0.006 0.000 0.212 328 A C 1.475 179.176 177.584 0.195 0.000 1.201 328 A CA -0.360 51.790 52.037 0.188 0.000 0.843 328 A CB -0.732 18.386 19.000 0.197 0.000 0.873 328 A HN 0.219 nan 8.150 nan 0.000 0.492 329 F N 1.929 121.851 119.950 -0.046 0.000 2.091 329 F HA -0.121 4.402 4.527 -0.006 0.000 0.299 329 F C -0.839 174.846 175.800 -0.192 0.000 1.103 329 F CA 2.401 60.162 58.000 -0.398 0.000 1.228 329 F CB -0.540 38.242 39.000 -0.365 0.000 0.984 329 F HN 0.199 nan 8.300 nan 0.000 0.477 330 P HA -0.098 nan 4.420 nan 0.000 0.223 330 P C 0.750 178.009 177.300 -0.068 0.000 1.151 330 P CA 1.469 64.545 63.100 -0.040 0.000 0.787 330 P CB -0.042 31.658 31.700 0.001 0.000 0.788 331 D N -0.880 119.502 120.400 -0.031 0.000 2.323 331 D HA -0.026 4.611 4.640 -0.006 0.000 0.209 331 D C 1.448 177.737 176.300 -0.017 0.000 0.973 331 D CA 0.911 54.907 54.000 -0.007 0.000 0.874 331 D CB 0.125 40.943 40.800 0.029 0.000 0.930 331 D HN 0.154 nan 8.370 nan 0.000 0.521 332 K N 0.095 120.463 120.400 -0.054 0.000 2.373 332 K HA 0.216 4.533 4.320 -0.006 0.000 0.200 332 K C -0.020 176.495 176.600 -0.141 0.000 1.054 332 K CA 0.039 56.307 56.287 -0.033 0.000 1.065 332 K CB 2.348 34.937 32.500 0.149 0.000 0.886 332 K HN -0.059 nan 8.250 nan 0.000 0.546 333 V N 0.760 120.498 119.914 -0.293 0.000 2.760 333 V HA 0.675 4.791 4.120 -0.006 0.000 0.309 333 V C -1.234 174.767 176.094 -0.154 0.000 1.077 333 V CA -1.251 60.872 62.300 -0.296 0.000 0.910 333 V CB 1.970 33.307 31.823 -0.809 0.000 1.008 333 V HN 0.111 nan 8.190 nan 0.000 0.424 334 A N 5.292 128.083 122.820 -0.048 0.000 2.381 334 A HA 0.932 5.248 4.320 -0.006 0.000 0.299 334 A C -0.979 176.633 177.584 0.047 0.000 1.049 334 A CA -0.497 51.544 52.037 0.007 0.000 0.715 334 A CB 1.389 20.358 19.000 -0.053 0.000 1.222 334 A HN 1.267 nan 8.150 nan 0.000 0.428 335 I N -0.040 120.602 120.570 0.120 0.000 2.436 335 I HA 0.759 4.926 4.170 -0.006 0.000 0.289 335 I C -0.756 175.452 176.117 0.151 0.000 1.010 335 I CA -0.659 60.723 61.300 0.137 0.000 1.098 335 I CB 1.950 40.015 38.000 0.109 0.000 1.266 335 I HN 0.523 nan 8.210 nan 0.000 0.434 336 Q N 5.628 125.510 119.800 0.138 0.000 2.314 336 Q HA 0.520 4.857 4.340 -0.006 0.000 0.259 336 Q C -1.617 174.372 176.000 -0.019 0.000 0.951 336 Q CA -0.494 55.415 55.803 0.176 0.000 0.909 336 Q CB 1.635 30.584 28.738 0.350 0.000 1.236 336 Q HN 0.760 nan 8.270 nan 0.000 0.444 337 L N 4.236 125.494 121.223 0.058 0.000 2.261 337 L HA 0.333 4.669 4.340 -0.006 0.000 0.289 337 L C -0.253 176.643 176.870 0.043 0.000 1.059 337 L CA -0.188 54.681 54.840 0.047 0.000 0.816 337 L CB 0.570 42.712 42.059 0.139 0.000 1.191 337 L HN 0.592 nan 8.230 nan 0.000 0.431 338 N N 4.161 122.807 118.700 -0.091 0.000 2.508 338 N HA 0.129 4.865 4.740 -0.006 0.000 0.253 338 N C -0.079 175.453 175.510 0.038 0.000 1.145 338 N CA 0.493 53.545 53.050 0.003 0.000 0.973 338 N CB -0.149 38.263 38.487 -0.125 0.000 1.305 338 N HN 0.575 nan 8.380 nan 0.000 0.506 339 D N -0.070 120.444 120.400 0.190 0.000 4.199 339 D HA -0.221 4.415 4.640 -0.006 0.000 0.291 339 D C 0.362 176.776 176.300 0.190 0.000 2.213 339 D CA 1.541 55.643 54.000 0.170 0.000 1.174 339 D CB -0.613 40.013 40.800 -0.289 0.000 1.012 339 D HN 0.486 nan 8.370 nan 0.000 1.213 340 T N -2.471 112.142 114.554 0.099 0.000 3.129 340 T HA 0.105 4.452 4.350 -0.006 0.000 0.251 340 T C 1.675 176.476 174.700 0.168 0.000 1.117 340 T CA 1.489 63.622 62.100 0.056 0.000 1.034 340 T CB -0.529 68.333 68.868 -0.009 0.000 0.968 340 T HN 0.515 nan 8.240 nan 0.000 0.526 341 H N 2.643 121.799 119.070 0.144 0.000 2.357 341 H HA -0.028 4.524 4.556 -0.006 0.000 0.296 341 H C -0.781 174.633 175.328 0.143 0.000 1.108 341 H CA 1.147 57.295 56.048 0.166 0.000 1.273 341 H CB -0.770 29.091 29.762 0.165 0.000 1.367 341 H HN 0.451 nan 8.280 nan 0.000 0.498 342 P HA 0.092 nan 4.420 nan 0.000 0.262 342 P C 0.707 178.050 177.300 0.071 0.000 1.651 342 P CA 0.364 63.543 63.100 0.132 0.000 1.119 342 P CB 0.476 32.244 31.700 0.115 0.000 1.552 343 S N -0.131 115.606 115.700 0.061 0.000 2.440 343 S HA -0.117 4.349 4.470 -0.006 0.000 0.238 343 S C 1.781 176.381 174.600 -0.001 0.000 1.010 343 S CA 0.731 58.927 58.200 -0.007 0.000 0.972 343 S CB -1.429 61.743 63.200 -0.047 0.000 0.774 343 S HN 0.150 nan 8.310 nan 0.000 0.501 344 L N 0.913 122.148 121.223 0.022 0.000 2.549 344 L HA 0.045 4.382 4.340 -0.006 0.000 0.229 344 L C 2.893 179.792 176.870 0.049 0.000 1.158 344 L CA 0.592 55.447 54.840 0.025 0.000 0.842 344 L CB -0.731 41.343 42.059 0.025 0.000 0.952 344 L HN 0.472 nan 8.230 nan 0.000 0.452 345 A N 0.563 123.392 122.820 0.016 0.000 1.972 345 A HA -0.188 4.128 4.320 -0.006 0.000 0.219 345 A C 2.182 179.758 177.584 -0.013 0.000 1.169 345 A CA 1.416 53.447 52.037 -0.009 0.000 0.635 345 A CB -0.435 18.552 19.000 -0.020 0.000 0.810 345 A HN 0.370 nan 8.150 nan 0.000 0.446 346 I N 0.285 120.849 120.570 -0.009 0.000 2.113 346 I HA -0.150 4.017 4.170 -0.006 0.000 0.238 346 I C -0.341 175.784 176.117 0.013 0.000 1.070 346 I CA 1.587 62.878 61.300 -0.014 0.000 1.332 346 I CB -0.991 37.006 38.000 -0.004 0.000 1.044 346 I HN 0.261 nan 8.210 nan 0.000 0.402 347 P HA -0.145 nan 4.420 nan 0.000 0.225 347 P C 1.231 178.537 177.300 0.010 0.000 1.156 347 P CA 1.383 64.506 63.100 0.038 0.000 0.787 347 P CB 0.075 31.820 31.700 0.074 0.000 0.802 348 E N 0.442 120.715 120.200 0.120 0.000 2.072 348 E HA -0.139 4.207 4.350 -0.006 0.000 0.190 348 E C 1.924 178.495 176.600 -0.048 0.000 0.982 348 E CA 0.625 57.110 56.400 0.142 0.000 0.803 348 E CB -1.191 28.644 29.700 0.225 0.000 0.755 348 E HN -0.005 nan 8.360 nan 0.000 0.453 349 L N -0.019 121.146 121.223 -0.097 0.000 2.046 349 L HA -0.081 4.255 4.340 -0.006 0.000 0.208 349 L C 2.064 178.776 176.870 -0.263 0.000 1.077 349 L CA 1.720 56.440 54.840 -0.199 0.000 0.747 349 L CB -0.524 41.417 42.059 -0.196 0.000 0.896 349 L HN 0.231 nan 8.230 nan 0.000 0.432 350 M N -0.795 118.668 119.600 -0.229 0.000 2.117 350 M HA -0.199 4.277 4.480 -0.006 0.000 0.262 350 M C 2.431 178.555 176.300 -0.293 0.000 1.065 350 M CA 1.517 56.631 55.300 -0.310 0.000 1.114 350 M CB -1.166 31.236 32.600 -0.330 0.000 1.361 350 M HN 0.340 nan 8.290 nan 0.000 0.408 351 R N 0.048 120.401 120.500 -0.245 0.000 2.083 351 R HA -0.130 4.207 4.340 -0.006 0.000 0.237 351 R C 2.046 178.235 176.300 -0.186 0.000 1.137 351 R CA 1.643 57.604 56.100 -0.233 0.000 0.951 351 R CB -0.162 29.947 30.300 -0.319 0.000 0.851 351 R HN 0.202 nan 8.270 nan 0.000 0.434 352 V N 1.446 121.246 119.914 -0.191 0.000 2.307 352 V HA -0.246 3.870 4.120 -0.006 0.000 0.245 352 V C 2.418 178.345 176.094 -0.277 0.000 1.045 352 V CA 1.722 63.905 62.300 -0.196 0.000 1.024 352 V CB -0.415 31.282 31.823 -0.209 0.000 0.651 352 V HN 0.342 nan 8.190 nan 0.000 0.449 353 L N -0.548 120.443 121.223 -0.387 0.000 2.046 353 L HA -0.133 4.203 4.340 -0.006 0.000 0.208 353 L C 2.392 179.091 176.870 -0.286 0.000 1.077 353 L CA 1.145 55.702 54.840 -0.471 0.000 0.747 353 L CB -0.637 41.092 42.059 -0.549 0.000 0.896 353 L HN 0.214 nan 8.230 nan 0.000 0.432 354 V N -0.618 119.162 119.914 -0.223 0.000 2.331 354 V HA -0.172 3.944 4.120 -0.006 0.000 0.242 354 V C 1.985 178.041 176.094 -0.063 0.000 1.034 354 V CA 1.634 63.865 62.300 -0.115 0.000 1.027 354 V CB -0.346 31.430 31.823 -0.078 0.000 0.667 354 V HN 0.334 nan 8.190 nan 0.000 0.457 355 D N 0.126 120.481 120.400 -0.074 0.000 2.123 355 D HA -0.022 4.614 4.640 -0.006 0.000 0.200 355 D C 2.064 178.342 176.300 -0.037 0.000 0.976 355 D CA 1.239 55.214 54.000 -0.041 0.000 0.831 355 D CB -0.011 40.760 40.800 -0.048 0.000 0.974 355 D HN 0.318 nan 8.370 nan 0.000 0.469 356 L N 0.213 121.399 121.223 -0.061 0.000 2.286 356 L HA 0.100 4.436 4.340 -0.006 0.000 0.203 356 L C 1.897 178.747 176.870 -0.032 0.000 1.068 356 L CA 0.571 55.386 54.840 -0.041 0.000 0.811 356 L CB -0.049 41.984 42.059 -0.044 0.000 0.989 356 L HN -0.172 nan 8.230 nan 0.000 0.467 357 E N 0.603 120.756 120.200 -0.077 0.000 2.442 357 E HA 0.031 4.377 4.350 -0.006 0.000 0.195 357 E C 0.184 176.778 176.600 -0.010 0.000 1.030 357 E CA -0.017 56.361 56.400 -0.036 0.000 0.869 357 E CB 0.263 29.864 29.700 -0.164 0.000 0.857 357 E HN 0.240 nan 8.360 nan 0.000 0.505 358 R N 0.046 120.526 120.500 -0.033 0.000 3.531 358 R HA -0.191 4.146 4.340 -0.006 0.000 0.280 358 R C -0.490 175.812 176.300 0.003 0.000 1.130 358 R CA 0.252 56.350 56.100 -0.004 0.000 0.757 358 R CB -2.498 27.814 30.300 0.020 0.000 1.218 358 R HN 0.040 nan 8.270 nan 0.000 0.454 359 L N 1.769 122.972 121.223 -0.034 0.000 2.439 359 L HA 0.174 4.510 4.340 -0.006 0.000 0.261 359 L C 1.329 178.204 176.870 0.009 0.000 1.153 359 L CA 0.088 54.919 54.840 -0.016 0.000 0.808 359 L CB 0.424 42.438 42.059 -0.076 0.000 1.126 359 L HN 0.117 nan 8.230 nan 0.000 0.460 360 D N 0.225 120.652 120.400 0.044 0.000 2.362 360 D HA -0.128 4.508 4.640 -0.006 0.000 0.242 360 D C 0.900 177.272 176.300 0.120 0.000 1.132 360 D CA -0.523 53.534 54.000 0.095 0.000 0.907 360 D CB 0.797 41.656 40.800 0.099 0.000 1.195 360 D HN 0.598 nan 8.370 nan 0.000 0.429 361 W N 2.109 123.414 121.300 0.009 0.000 2.301 361 W HA -0.250 4.407 4.660 -0.006 0.000 0.325 361 W C 1.075 177.639 176.519 0.076 0.000 1.250 361 W CA 2.035 59.391 57.345 0.019 0.000 1.261 361 W CB -0.405 29.046 29.460 -0.016 0.000 1.157 361 W HN 0.448 nan 8.180 nan 0.000 0.473 362 D N 0.286 120.910 120.400 0.374 0.000 2.133 362 D HA -0.214 4.422 4.640 -0.006 0.000 0.195 362 D C 2.055 178.464 176.300 0.181 0.000 0.997 362 D CA 1.591 55.773 54.000 0.304 0.000 0.840 362 D CB -0.511 40.429 40.800 0.234 0.000 0.947 362 D HN 0.042 nan 8.370 nan 0.000 0.452 363 K N 0.866 121.330 120.400 0.106 0.000 2.025 363 K HA 0.006 4.322 4.320 -0.006 0.000 0.207 363 K C 1.965 178.559 176.600 -0.010 0.000 1.049 363 K CA 1.151 57.471 56.287 0.055 0.000 0.933 363 K CB -0.500 32.028 32.500 0.046 0.000 0.714 363 K HN 0.059 nan 8.250 nan 0.000 0.438 364 A N 0.875 123.647 122.820 -0.081 0.000 1.908 364 A HA -0.200 4.117 4.320 -0.006 0.000 0.218 364 A C 2.198 179.682 177.584 -0.167 0.000 1.181 364 A CA 1.456 53.373 52.037 -0.200 0.000 0.627 364 A CB -1.122 17.691 19.000 -0.312 0.000 0.818 364 A HN 0.674 nan 8.150 nan 0.000 0.445 365 W N 0.652 121.739 121.300 -0.355 0.000 2.363 365 W HA -0.171 4.485 4.660 -0.006 0.000 0.296 365 W C 1.981 178.437 176.519 -0.105 0.000 1.212 365 W CA 1.808 58.995 57.345 -0.264 0.000 1.260 365 W CB -0.075 29.279 29.460 -0.177 0.000 1.131 365 W HN 0.621 nan 8.180 nan 0.000 0.530 366 E N 0.101 120.286 120.200 -0.026 0.000 2.031 366 E HA -0.229 4.118 4.350 -0.006 0.000 0.193 366 E C 2.062 178.576 176.600 -0.143 0.000 0.994 366 E CA 1.997 58.350 56.400 -0.079 0.000 0.800 366 E CB -0.366 29.345 29.700 0.019 0.000 0.752 366 E HN 0.048 nan 8.360 nan 0.000 0.447 367 V N 0.835 120.680 119.914 -0.115 0.000 2.287 367 V HA -0.284 3.833 4.120 -0.006 0.000 0.248 367 V C 2.439 178.451 176.094 -0.137 0.000 1.053 367 V CA 2.252 64.498 62.300 -0.091 0.000 1.027 367 V CB -0.870 30.884 31.823 -0.116 0.000 0.646 367 V HN 0.396 nan 8.190 nan 0.000 0.447 368 T N 0.123 114.525 114.554 -0.253 0.000 2.652 368 T HA -0.204 4.142 4.350 -0.006 0.000 0.267 368 T C 1.939 176.448 174.700 -0.317 0.000 1.039 368 T CA 1.899 63.823 62.100 -0.292 0.000 1.153 368 T CB -0.369 68.267 68.868 -0.386 0.000 0.863 368 T HN 0.278 nan 8.240 nan 0.000 0.428 369 V N 1.507 121.109 119.914 -0.519 0.000 2.332 369 V HA -0.203 3.913 4.120 -0.006 0.000 0.248 369 V C 2.383 178.415 176.094 -0.102 0.000 1.055 369 V CA 1.681 63.740 62.300 -0.402 0.000 1.038 369 V CB -0.535 30.978 31.823 -0.517 0.000 0.651 369 V HN 0.492 nan 8.190 nan 0.000 0.450 370 K N -0.052 120.269 120.400 -0.132 0.000 2.283 370 K HA -0.126 4.191 4.320 -0.006 0.000 0.202 370 K C 2.180 178.716 176.600 -0.108 0.000 1.048 370 K CA 1.671 57.859 56.287 -0.165 0.000 0.948 370 K CB -0.262 32.155 32.500 -0.139 0.000 0.742 370 K HN 0.663 nan 8.250 nan 0.000 0.458 371 T N -1.678 112.889 114.554 0.022 0.000 3.037 371 T HA 0.063 4.409 4.350 -0.006 0.000 0.252 371 T C 0.755 175.561 174.700 0.176 0.000 1.073 371 T CA -0.230 61.926 62.100 0.094 0.000 1.091 371 T CB -0.062 68.891 68.868 0.142 0.000 0.935 371 T HN 0.031 nan 8.240 nan 0.000 0.488 372 C N 2.557 121.952 119.300 0.157 0.000 2.365 372 C HA 0.917 5.373 4.460 -0.006 0.000 0.351 372 C C 0.577 175.647 174.990 0.133 0.000 1.240 372 C CA -0.838 58.257 59.018 0.128 0.000 2.062 372 C CB 0.202 27.951 27.740 0.013 0.000 2.387 372 C HN 0.746 nan 8.230 nan 0.000 0.537 373 A N 2.329 125.217 122.820 0.113 0.000 2.449 373 A HA 0.762 5.078 4.320 -0.006 0.000 0.302 373 A C -1.527 176.137 177.584 0.134 0.000 1.048 373 A CA -0.416 51.637 52.037 0.026 0.000 0.708 373 A CB 1.038 20.085 19.000 0.079 0.000 1.274 373 A HN 0.948 nan 8.150 nan 0.000 0.410 374 Y N 1.155 121.409 120.300 -0.077 0.000 2.376 374 Y HA 0.656 5.202 4.550 -0.006 0.000 0.340 374 Y C -0.539 175.344 175.900 -0.028 0.000 0.965 374 Y CA -0.313 57.755 58.100 -0.054 0.000 1.078 374 Y CB 2.091 40.480 38.460 -0.119 0.000 1.193 374 Y HN 0.569 nan 8.280 nan 0.000 0.452 375 T N 6.543 120.865 114.554 -0.387 0.000 2.779 375 T HA 0.209 4.555 4.350 -0.006 0.000 0.280 375 T C -0.848 173.367 174.700 -0.808 0.000 0.987 375 T CA -0.826 60.977 62.100 -0.496 0.000 0.966 375 T CB 0.540 69.355 68.868 -0.088 0.000 0.933 375 T HN 0.667 nan 8.240 nan 0.000 0.442 376 N N 1.607 119.849 118.700 -0.764 0.000 2.473 376 N HA 0.157 4.894 4.740 -0.006 0.000 0.291 376 N C -0.043 175.304 175.510 -0.272 0.000 1.083 376 N CA -0.379 52.452 53.050 -0.366 0.000 0.951 376 N CB 0.850 39.304 38.487 -0.056 0.000 1.164 376 N HN 0.676 nan 8.380 nan 0.000 0.480 377 H N 0.788 119.882 119.070 0.042 0.000 3.058 377 H HA 0.175 4.727 4.556 -0.006 0.000 0.266 377 H C -0.213 175.024 175.328 -0.152 0.000 1.135 377 H CA -0.037 55.980 56.048 -0.051 0.000 1.174 377 H CB 1.161 30.898 29.762 -0.041 0.000 1.581 377 H HN 0.536 nan 8.280 nan 0.000 0.553 378 T N 0.236 114.809 114.554 0.031 0.000 2.827 378 T HA 0.225 4.571 4.350 -0.006 0.000 0.328 378 T C 0.260 174.974 174.700 0.023 0.000 1.598 378 T CA -0.314 61.754 62.100 -0.054 0.000 1.043 378 T CB 1.291 70.118 68.868 -0.067 0.000 1.447 378 T HN -0.046 nan 8.240 nan 0.000 0.491 379 V N 1.686 121.578 119.914 -0.037 0.000 3.528 379 V HA 0.505 4.622 4.120 -0.006 0.000 0.294 379 V C 0.894 176.953 176.094 -0.059 0.000 1.404 379 V CA 0.021 62.289 62.300 -0.053 0.000 1.065 379 V CB -0.720 31.071 31.823 -0.053 0.000 0.904 379 V HN 0.794 nan 8.190 nan 0.000 0.435 380 I N -0.142 120.386 120.570 -0.069 0.000 2.517 380 I HA 0.309 4.476 4.170 -0.006 0.000 0.285 380 I C -0.592 175.532 176.117 0.011 0.000 1.106 380 I CA -1.548 59.740 61.300 -0.019 0.000 1.402 380 I CB 0.652 38.636 38.000 -0.027 0.000 1.399 380 I HN -0.022 nan 8.210 nan 0.000 0.535 381 P HA -0.251 nan 4.420 nan 0.000 0.216 381 P C 1.094 178.404 177.300 0.017 0.000 1.150 381 P CA 1.623 64.732 63.100 0.015 0.000 0.837 381 P CB -0.056 31.657 31.700 0.022 0.000 0.786 382 E N 0.373 120.614 120.200 0.067 0.000 2.409 382 E HA -0.068 4.278 4.350 -0.006 0.000 0.198 382 E C 1.679 178.283 176.600 0.007 0.000 1.024 382 E CA 1.131 57.567 56.400 0.060 0.000 0.861 382 E CB -0.737 29.099 29.700 0.226 0.000 0.788 382 E HN 0.228 nan 8.360 nan 0.000 0.521 383 A N 1.103 123.952 122.820 0.048 0.000 2.147 383 A HA 0.182 4.498 4.320 -0.006 0.000 0.211 383 A C 1.203 178.773 177.584 -0.025 0.000 1.160 383 A CA -0.243 51.829 52.037 0.057 0.000 0.781 383 A CB 0.083 19.134 19.000 0.086 0.000 0.842 383 A HN 0.121 nan 8.150 nan 0.000 0.475 384 L N 1.764 122.933 121.223 -0.091 0.000 2.455 384 L HA 0.126 4.462 4.340 -0.006 0.000 0.272 384 L C 0.058 176.589 176.870 -0.565 0.000 1.174 384 L CA 0.493 55.213 54.840 -0.199 0.000 0.869 384 L CB 0.119 42.100 42.059 -0.130 0.000 1.130 384 L HN 0.415 nan 8.230 nan 0.000 0.474 385 E N 4.723 124.486 120.200 -0.727 0.000 2.180 385 E HA 0.198 4.545 4.350 -0.006 0.000 0.283 385 E C -0.428 175.569 176.600 -1.004 0.000 1.061 385 E CA -0.186 55.326 56.400 -1.480 0.000 0.861 385 E CB 0.654 29.829 29.700 -0.874 0.000 1.056 385 E HN 0.361 nan 8.360 nan 0.000 0.407 386 R N 3.996 123.833 120.500 -1.106 0.000 2.487 386 R HA 0.181 4.518 4.340 -0.006 0.000 0.288 386 R C -1.193 174.972 176.300 -0.225 0.000 1.394 386 R CA -0.604 55.245 56.100 -0.418 0.000 1.155 386 R CB 0.740 30.904 30.300 -0.225 0.000 1.156 386 R HN 0.440 nan 8.270 nan 0.000 0.553 387 W N 4.024 125.296 121.300 -0.046 0.000 2.266 387 W HA 0.237 4.893 4.660 -0.006 0.000 0.317 387 W C -1.921 174.568 176.519 -0.049 0.000 1.310 387 W CA -1.971 55.391 57.345 0.029 0.000 1.207 387 W CB 0.507 29.959 29.460 -0.013 0.000 1.199 387 W HN 0.226 nan 8.180 nan 0.000 0.544 388 P HA -0.082 nan 4.420 nan 0.000 0.265 388 P C 0.791 178.006 177.300 -0.141 0.000 1.193 388 P CA 0.177 63.223 63.100 -0.090 0.000 0.765 388 P CB 0.774 32.250 31.700 -0.374 0.000 0.823 389 V N 3.204 123.087 119.914 -0.052 0.000 2.392 389 V HA -0.284 3.833 4.120 -0.006 0.000 0.249 389 V C 2.088 178.181 176.094 -0.002 0.000 1.059 389 V CA 2.491 64.790 62.300 -0.000 0.000 1.051 389 V CB -1.734 30.153 31.823 0.107 0.000 0.658 389 V HN 0.758 nan 8.190 nan 0.000 0.455 390 H N -1.004 118.123 119.070 0.095 0.000 2.456 390 H HA -0.090 4.462 4.556 -0.006 0.000 0.296 390 H C 1.993 177.369 175.328 0.080 0.000 1.079 390 H CA 1.619 57.718 56.048 0.086 0.000 1.322 390 H CB -0.567 29.245 29.762 0.084 0.000 1.388 390 H HN 0.365 nan 8.280 nan 0.000 0.538 391 L N -0.109 121.011 121.223 -0.173 0.000 2.044 391 L HA -0.060 4.277 4.340 -0.006 0.000 0.205 391 L C 2.365 179.205 176.870 -0.050 0.000 1.075 391 L CA 0.918 55.742 54.840 -0.027 0.000 0.747 391 L CB -0.223 41.806 42.059 -0.049 0.000 0.903 391 L HN 0.310 nan 8.230 nan 0.000 0.435 392 L N -0.537 120.626 121.223 -0.101 0.000 2.083 392 L HA -0.243 4.093 4.340 -0.006 0.000 0.209 392 L C 2.497 179.309 176.870 -0.096 0.000 1.083 392 L CA 1.207 55.957 54.840 -0.151 0.000 0.752 392 L CB -0.480 41.477 42.059 -0.170 0.000 0.899 392 L HN 0.331 nan 8.230 nan 0.000 0.433 393 E N -0.341 119.844 120.200 -0.025 0.000 2.085 393 E HA -0.223 4.124 4.350 -0.006 0.000 0.194 393 E C 1.908 178.545 176.600 0.063 0.000 0.994 393 E CA 1.932 58.348 56.400 0.028 0.000 0.801 393 E CB 0.137 29.892 29.700 0.091 0.000 0.743 393 E HN 0.442 nan 8.360 nan 0.000 0.453 394 T N 0.587 115.200 114.554 0.098 0.000 2.894 394 T HA -0.058 4.288 4.350 -0.006 0.000 0.258 394 T C 1.685 176.496 174.700 0.185 0.000 1.043 394 T CA 0.587 62.794 62.100 0.178 0.000 1.141 394 T CB -0.089 68.915 68.868 0.226 0.000 0.873 394 T HN 0.065 nan 8.240 nan 0.000 0.449 395 L N 0.150 121.382 121.223 0.016 0.000 2.095 395 L HA 0.350 4.687 4.340 -0.006 0.000 0.204 395 L C 0.405 177.204 176.870 -0.117 0.000 1.080 395 L CA 1.601 56.328 54.840 -0.189 0.000 0.759 395 L CB 0.005 41.917 42.059 -0.246 0.000 0.914 395 L HN 0.172 nan 8.230 nan 0.000 0.439 396 L N 0.925 122.044 121.223 -0.173 0.000 2.551 396 L HA 0.287 4.624 4.340 -0.006 0.000 0.248 396 L C -1.634 175.064 176.870 -0.286 0.000 1.509 396 L CA -0.955 53.699 54.840 -0.310 0.000 0.842 396 L CB 0.907 42.621 42.059 -0.575 0.000 1.087 396 L HN -0.043 nan 8.230 nan 0.000 0.512 397 P HA -0.231 nan 4.420 nan 0.000 0.216 397 P C 1.447 178.565 177.300 -0.303 0.000 1.150 397 P CA 1.309 64.300 63.100 -0.182 0.000 0.843 397 P CB 0.387 32.056 31.700 -0.052 0.000 0.787 398 R N -0.283 119.854 120.500 -0.605 0.000 2.073 398 R HA -0.132 4.204 4.340 -0.006 0.000 0.229 398 R C 2.364 178.366 176.300 -0.497 0.000 1.120 398 R CA 1.560 57.303 56.100 -0.595 0.000 0.967 398 R CB -1.461 28.288 30.300 -0.918 0.000 0.862 398 R HN 0.218 nan 8.270 nan 0.000 0.436 399 H N -0.182 118.576 119.070 -0.521 0.000 2.421 399 H HA -0.049 4.504 4.556 -0.006 0.000 0.298 399 H C 1.780 176.937 175.328 -0.286 0.000 1.087 399 H CA 1.627 57.454 56.048 -0.367 0.000 1.330 399 H CB -0.086 29.426 29.762 -0.418 0.000 1.388 399 H HN 0.113 nan 8.280 nan 0.000 0.526 400 L N 0.437 121.539 121.223 -0.202 0.000 2.046 400 L HA -0.238 4.098 4.340 -0.006 0.000 0.208 400 L C 1.887 178.577 176.870 -0.301 0.000 1.077 400 L CA 1.536 56.192 54.840 -0.306 0.000 0.747 400 L CB -0.239 41.663 42.059 -0.262 0.000 0.896 400 L HN 0.438 nan 8.230 nan 0.000 0.432 401 Q N -0.291 119.443 119.800 -0.109 0.000 2.084 401 Q HA -0.229 4.107 4.340 -0.006 0.000 0.202 401 Q C 2.169 178.197 176.000 0.047 0.000 0.978 401 Q CA 1.584 57.417 55.803 0.050 0.000 0.844 401 Q CB -0.099 28.669 28.738 0.050 0.000 0.898 401 Q HN 0.565 nan 8.270 nan 0.000 0.426 402 I N 0.490 121.059 120.570 -0.002 0.000 2.315 402 I HA -0.265 3.902 4.170 -0.006 0.000 0.248 402 I C 2.168 178.358 176.117 0.122 0.000 1.117 402 I CA 1.037 62.410 61.300 0.123 0.000 1.404 402 I CB -0.156 37.855 38.000 0.020 0.000 1.071 402 I HN 0.198 nan 8.210 nan 0.000 0.419 403 I N -0.466 120.093 120.570 -0.019 0.000 2.315 403 I HA -0.306 3.860 4.170 -0.006 0.000 0.248 403 I C 2.396 178.521 176.117 0.014 0.000 1.117 403 I CA 1.387 62.663 61.300 -0.041 0.000 1.404 403 I CB -0.362 37.541 38.000 -0.162 0.000 1.071 403 I HN 0.153 nan 8.210 nan 0.000 0.419 404 Y N 0.883 121.187 120.300 0.008 0.000 2.181 404 Y HA -0.266 4.280 4.550 -0.006 0.000 0.288 404 Y C 2.595 178.462 175.900 -0.056 0.000 1.146 404 Y CA 1.512 59.603 58.100 -0.015 0.000 1.164 404 Y CB -0.739 37.705 38.460 -0.026 0.000 0.982 404 Y HN 0.189 nan 8.280 nan 0.000 0.515 405 E N 0.453 120.695 120.200 0.070 0.000 2.072 405 E HA -0.145 4.202 4.350 -0.006 0.000 0.191 405 E C 2.028 178.539 176.600 -0.148 0.000 0.985 405 E CA 1.330 57.628 56.400 -0.170 0.000 0.801 405 E CB -0.549 28.885 29.700 -0.444 0.000 0.750 405 E HN 0.483 nan 8.360 nan 0.000 0.452 406 I N 0.608 121.195 120.570 0.027 0.000 2.226 406 I HA -0.267 3.899 4.170 -0.006 0.000 0.245 406 I C 2.266 178.381 176.117 -0.002 0.000 1.100 406 I CA 1.354 62.625 61.300 -0.048 0.000 1.374 406 I CB -0.407 37.568 38.000 -0.041 0.000 1.057 406 I HN 0.211 nan 8.210 nan 0.000 0.413 407 N N 0.783 119.529 118.700 0.077 0.000 2.084 407 N HA -0.262 4.474 4.740 -0.006 0.000 0.190 407 N C 1.871 177.465 175.510 0.140 0.000 1.030 407 N CA 1.536 54.683 53.050 0.162 0.000 0.849 407 N CB -0.122 38.477 38.487 0.187 0.000 1.012 407 N HN 0.287 nan 8.380 nan 0.000 0.423 408 Q N -0.034 119.794 119.800 0.047 0.000 2.030 408 Q HA -0.122 4.214 4.340 -0.006 0.000 0.204 408 Q C 2.052 178.033 176.000 -0.031 0.000 0.986 408 Q CA 1.581 57.375 55.803 -0.015 0.000 0.843 408 Q CB -0.001 28.685 28.738 -0.086 0.000 0.904 408 Q HN 0.372 nan 8.270 nan 0.000 0.420 409 R N -0.785 119.672 120.500 -0.072 0.000 2.092 409 R HA -0.126 4.210 4.340 -0.006 0.000 0.231 409 R C 2.143 178.467 176.300 0.039 0.000 1.119 409 R CA 1.262 57.318 56.100 -0.073 0.000 0.970 409 R CB -0.337 29.862 30.300 -0.167 0.000 0.864 409 R HN 0.275 nan 8.270 nan 0.000 0.440 410 F N 1.442 121.363 119.950 -0.048 0.000 2.113 410 F HA -0.088 4.436 4.527 -0.006 0.000 0.297 410 F C 1.823 177.644 175.800 0.036 0.000 1.103 410 F CA 1.312 59.333 58.000 0.034 0.000 1.248 410 F CB -0.212 38.839 39.000 0.085 0.000 0.999 410 F HN -0.121 nan 8.300 nan 0.000 0.475 411 L N 0.025 121.262 121.223 0.023 0.000 2.191 411 L HA -0.239 4.097 4.340 -0.006 0.000 0.212 411 L C 1.969 178.773 176.870 -0.110 0.000 1.103 411 L CA 1.515 56.305 54.840 -0.083 0.000 0.769 411 L CB -0.875 41.198 42.059 0.023 0.000 0.908 411 L HN 0.268 nan 8.230 nan 0.000 0.438 412 N N -0.260 118.393 118.700 -0.079 0.000 2.244 412 N HA -0.143 4.593 4.740 -0.006 0.000 0.183 412 N C 1.921 177.375 175.510 -0.094 0.000 1.016 412 N CA 0.628 53.634 53.050 -0.074 0.000 0.866 412 N CB 0.054 38.504 38.487 -0.061 0.000 0.980 412 N HN 0.275 nan 8.380 nan 0.000 0.430 413 R N 0.438 120.861 120.500 -0.128 0.000 2.090 413 R HA -0.008 4.329 4.340 -0.006 0.000 0.228 413 R C 2.148 178.341 176.300 -0.177 0.000 1.110 413 R CA 0.679 56.698 56.100 -0.135 0.000 0.973 413 R CB -0.136 30.092 30.300 -0.119 0.000 0.869 413 R HN 0.050 nan 8.270 nan 0.000 0.440 414 V N 0.801 120.559 119.914 -0.260 0.000 2.307 414 V HA -0.226 3.890 4.120 -0.006 0.000 0.245 414 V C 2.370 178.454 176.094 -0.016 0.000 1.045 414 V CA 1.980 64.192 62.300 -0.147 0.000 1.024 414 V CB -0.678 30.997 31.823 -0.247 0.000 0.651 414 V HN 0.407 nan 8.190 nan 0.000 0.449 415 A N -0.003 122.783 122.820 -0.057 0.000 1.940 415 A HA -0.117 4.199 4.320 -0.006 0.000 0.219 415 A C 2.348 179.905 177.584 -0.044 0.000 1.176 415 A CA 2.089 54.110 52.037 -0.027 0.000 0.631 415 A CB -0.656 18.321 19.000 -0.039 0.000 0.814 415 A HN 0.586 nan 8.150 nan 0.000 0.446 416 A N -0.797 121.976 122.820 -0.079 0.000 2.016 416 A HA 0.362 4.678 4.320 -0.006 0.000 0.217 416 A C 2.281 179.768 177.584 -0.162 0.000 1.162 416 A CA 1.554 53.533 52.037 -0.097 0.000 0.662 416 A CB -0.540 18.408 19.000 -0.087 0.000 0.812 416 A HN 0.939 nan 8.150 nan 0.000 0.450 417 A N -1.752 120.922 122.820 -0.243 0.000 2.030 417 A HA 0.440 4.756 4.320 -0.006 0.000 0.215 417 A C 0.382 177.472 177.584 -0.823 0.000 1.164 417 A CA 0.436 52.150 52.037 -0.540 0.000 0.697 417 A CB -0.056 18.547 19.000 -0.661 0.000 0.827 417 A HN 0.399 nan 8.150 nan 0.000 0.457 418 F N -0.141 119.762 119.950 -0.080 0.000 2.593 418 F HA 0.336 4.859 4.527 -0.006 0.000 0.336 418 F C -2.801 172.962 175.800 -0.062 0.000 1.491 418 F CA -2.885 55.073 58.000 -0.070 0.000 1.114 418 F CB 0.598 39.547 39.000 -0.084 0.000 1.468 418 F HN -0.080 nan 8.300 nan 0.000 0.579 419 P HA 0.141 nan 4.420 nan 0.000 0.261 419 P C 1.037 178.357 177.300 0.032 0.000 1.183 419 P CA 1.353 64.463 63.100 0.017 0.000 0.761 419 P CB 0.691 32.383 31.700 -0.014 0.000 0.785 420 G N 2.718 111.530 108.800 0.020 0.000 2.234 420 G HA2 -0.253 3.703 3.960 -0.006 0.000 0.260 420 G HA3 -0.253 3.703 3.960 -0.006 0.000 0.260 420 G C 0.386 175.295 174.900 0.016 0.000 0.987 420 G CA 0.071 45.179 45.100 0.014 0.000 0.625 420 G HN 0.605 nan 8.290 nan 0.000 0.532 421 D N 1.019 121.438 120.400 0.031 0.000 2.551 421 D HA 0.386 5.022 4.640 -0.006 0.000 0.223 421 D C 1.611 177.903 176.300 -0.014 0.000 1.144 421 D CA 0.447 54.450 54.000 0.005 0.000 1.025 421 D CB 0.605 41.407 40.800 0.003 0.000 1.085 421 D HN 0.200 nan 8.370 nan 0.000 0.506 422 V N 2.981 122.888 119.914 -0.012 0.000 2.407 422 V HA -0.211 3.905 4.120 -0.006 0.000 0.248 422 V C 1.657 177.740 176.094 -0.018 0.000 1.055 422 V CA 2.068 64.360 62.300 -0.013 0.000 1.049 422 V CB -0.055 31.764 31.823 -0.007 0.000 0.662 422 V HN 0.382 nan 8.190 nan 0.000 0.455 423 D N -0.502 119.884 120.400 -0.025 0.000 2.178 423 D HA -0.180 4.456 4.640 -0.006 0.000 0.202 423 D C 2.340 178.614 176.300 -0.043 0.000 0.974 423 D CA 1.193 55.178 54.000 -0.024 0.000 0.841 423 D CB -0.219 40.567 40.800 -0.024 0.000 0.953 423 D HN 0.403 nan 8.370 nan 0.000 0.478 424 R N -0.407 120.044 120.500 -0.081 0.000 2.081 424 R HA -0.123 4.213 4.340 -0.006 0.000 0.235 424 R C 1.922 178.157 176.300 -0.108 0.000 1.131 424 R CA 0.778 56.793 56.100 -0.141 0.000 0.960 424 R CB -0.253 29.907 30.300 -0.233 0.000 0.856 424 R HN 0.178 nan 8.270 nan 0.000 0.436 425 L N 1.239 122.423 121.223 -0.065 0.000 2.012 425 L HA -0.205 4.131 4.340 -0.006 0.000 0.210 425 L C 2.549 179.424 176.870 0.008 0.000 1.073 425 L CA 2.063 56.883 54.840 -0.034 0.000 0.748 425 L CB -0.703 41.345 42.059 -0.017 0.000 0.891 425 L HN 0.273 nan 8.230 nan 0.000 0.431 426 R N -0.965 119.545 120.500 0.016 0.000 2.115 426 R HA -0.053 4.283 4.340 -0.006 0.000 0.226 426 R C 2.116 178.465 176.300 0.082 0.000 1.100 426 R CA 1.063 57.194 56.100 0.051 0.000 0.980 426 R CB -0.674 29.650 30.300 0.040 0.000 0.875 426 R HN 0.192 nan 8.270 nan 0.000 0.445 427 R N 0.133 120.663 120.500 0.049 0.000 2.090 427 R HA 0.126 4.462 4.340 -0.006 0.000 0.228 427 R C 1.951 178.328 176.300 0.128 0.000 1.110 427 R CA 1.709 57.861 56.100 0.087 0.000 0.973 427 R CB -0.184 30.129 30.300 0.021 0.000 0.869 427 R HN 0.326 nan 8.270 nan 0.000 0.440 428 M N 0.141 119.742 119.600 0.002 0.000 2.502 428 M HA 0.050 4.527 4.480 -0.006 0.000 0.243 428 M C 0.841 177.288 176.300 0.245 0.000 1.130 428 M CA -0.005 55.250 55.300 -0.076 0.000 1.055 428 M CB 0.482 32.888 32.600 -0.323 0.000 1.457 428 M HN -0.089 nan 8.290 nan 0.000 0.488 429 S N 0.984 116.842 115.700 0.263 0.000 2.563 429 S HA 0.078 4.544 4.470 -0.006 0.000 0.284 429 S C 1.098 175.950 174.600 0.419 0.000 1.331 429 S CA -0.223 58.160 58.200 0.305 0.000 1.047 429 S CB 0.590 63.915 63.200 0.207 0.000 0.859 429 S HN 0.377 nan 8.310 nan 0.000 0.514 430 L N 3.804 125.223 121.223 0.327 0.000 2.418 430 L HA 0.140 4.476 4.340 -0.006 0.000 0.218 430 L C 0.157 177.131 176.870 0.173 0.000 1.125 430 L CA 0.208 55.201 54.840 0.255 0.000 0.835 430 L CB -0.269 41.880 42.059 0.150 0.000 0.953 430 L HN 0.382 nan 8.230 nan 0.000 0.454 431 V N 0.838 120.868 119.914 0.193 0.000 2.370 431 V HA 0.176 4.293 4.120 -0.006 0.000 0.279 431 V C 0.033 176.213 176.094 0.144 0.000 1.029 431 V CA -0.583 61.818 62.300 0.169 0.000 0.870 431 V CB 1.398 33.356 31.823 0.225 0.000 0.984 431 V HN 0.170 nan 8.190 nan 0.000 0.451 432 E N 3.270 123.534 120.200 0.107 0.000 2.174 432 E HA 0.416 4.762 4.350 -0.006 0.000 0.282 432 E C -0.666 175.984 176.600 0.084 0.000 0.992 432 E CA -0.536 55.918 56.400 0.089 0.000 0.803 432 E CB 1.951 31.684 29.700 0.054 0.000 1.090 432 E HN 0.608 nan 8.360 nan 0.000 0.396 433 E N 0.969 121.216 120.200 0.078 0.000 2.314 433 E HA 0.645 4.992 4.350 -0.006 0.000 0.262 433 E C 0.147 176.782 176.600 0.059 0.000 1.093 433 E CA 0.310 56.751 56.400 0.068 0.000 0.908 433 E CB 1.480 31.215 29.700 0.058 0.000 1.091 433 E HN 0.637 nan 8.360 nan 0.000 0.425 434 G N -0.148 108.685 108.800 0.055 0.000 2.302 434 G HA2 0.231 4.187 3.960 -0.006 0.000 0.264 434 G HA3 0.231 4.187 3.960 -0.006 0.000 0.264 434 G C 0.490 175.421 174.900 0.052 0.000 1.335 434 G CA 0.290 45.419 45.100 0.049 0.000 0.982 434 G HN 0.637 nan 8.290 nan 0.000 0.473 435 A N -0.849 122.000 122.820 0.049 0.000 1.863 435 A HA 0.251 4.567 4.320 -0.006 0.000 0.218 435 A C 1.747 179.372 177.584 0.067 0.000 1.233 435 A CA 4.381 56.449 52.037 0.051 0.000 0.655 435 A CB -1.297 17.731 19.000 0.048 0.000 0.839 435 A HN 2.400 nan 8.150 nan 0.000 0.454 436 V N -3.339 116.625 119.914 0.083 0.000 2.540 436 V HA 0.565 4.681 4.120 -0.006 0.000 0.302 436 V C -0.571 175.587 176.094 0.107 0.000 1.035 436 V CA -1.389 60.982 62.300 0.118 0.000 0.873 436 V CB 1.584 33.505 31.823 0.163 0.000 0.992 436 V HN 0.365 nan 8.190 nan 0.000 0.428 437 K N 4.102 124.573 120.400 0.118 0.000 2.382 437 K HA 0.503 4.819 4.320 -0.006 0.000 0.275 437 K C -0.383 176.274 176.600 0.094 0.000 1.009 437 K CA -0.175 56.177 56.287 0.108 0.000 0.970 437 K CB 0.851 33.429 32.500 0.130 0.000 0.934 437 K HN 0.747 nan 8.250 nan 0.000 0.479 438 R N 1.315 121.862 120.500 0.078 0.000 2.836 438 R HA 0.490 4.826 4.340 -0.006 0.000 0.269 438 R C -0.699 175.632 176.300 0.052 0.000 1.010 438 R CA -1.027 55.107 56.100 0.057 0.000 0.930 438 R CB 1.282 31.601 30.300 0.032 0.000 1.218 438 R HN 0.362 nan 8.270 nan 0.000 0.473 439 I N 1.840 122.436 120.570 0.044 0.000 2.339 439 I HA 0.176 4.342 4.170 -0.006 0.000 0.290 439 I C -0.282 175.817 176.117 -0.029 0.000 0.994 439 I CA -0.762 60.552 61.300 0.023 0.000 1.191 439 I CB 1.263 39.275 38.000 0.021 0.000 1.343 439 I HN 0.517 nan 8.210 nan 0.000 0.458 440 N N 7.145 125.797 118.700 -0.081 0.000 2.402 440 N HA 0.095 4.831 4.740 -0.006 0.000 0.252 440 N C 0.825 176.231 175.510 -0.174 0.000 1.118 440 N CA -0.334 52.586 53.050 -0.217 0.000 0.945 440 N CB 0.973 39.173 38.487 -0.478 0.000 1.147 440 N HN 0.377 nan 8.380 nan 0.000 0.495 441 M N 2.432 121.938 119.600 -0.157 0.000 2.296 441 M HA -0.065 4.411 4.480 -0.006 0.000 0.265 441 M C 1.911 178.068 176.300 -0.238 0.000 1.064 441 M CA 0.698 55.920 55.300 -0.130 0.000 1.109 441 M CB -1.532 31.037 32.600 -0.052 0.000 1.396 441 M HN 0.601 nan 8.290 nan 0.000 0.430 442 A N -0.503 122.171 122.820 -0.243 0.000 1.930 442 A HA -0.162 4.154 4.320 -0.006 0.000 0.217 442 A C 1.980 179.338 177.584 -0.376 0.000 1.175 442 A CA 1.391 53.248 52.037 -0.300 0.000 0.627 442 A CB -1.086 17.935 19.000 0.036 0.000 0.815 442 A HN 0.594 nan 8.150 nan 0.000 0.443 443 H N -1.068 117.784 119.070 -0.363 0.000 2.389 443 H HA -0.007 4.545 4.556 -0.006 0.000 0.299 443 H C 2.116 177.216 175.328 -0.381 0.000 1.081 443 H CA 0.911 56.703 56.048 -0.427 0.000 1.345 443 H CB -0.035 29.694 29.762 -0.054 0.000 1.393 443 H HN 0.386 nan 8.280 nan 0.000 0.520 444 L N 0.356 121.493 121.223 -0.144 0.000 2.017 444 L HA -0.227 4.109 4.340 -0.006 0.000 0.208 444 L C 2.211 178.944 176.870 -0.228 0.000 1.073 444 L CA 1.251 56.005 54.840 -0.143 0.000 0.745 444 L CB -0.349 41.652 42.059 -0.097 0.000 0.894 444 L HN 0.436 nan 8.230 nan 0.000 0.432 445 C N 0.001 119.064 119.300 -0.395 0.000 2.429 445 C HA -0.159 4.298 4.460 -0.006 0.000 0.277 445 C C 2.654 177.391 174.990 -0.422 0.000 1.262 445 C CA 0.575 59.283 59.018 -0.515 0.000 1.733 445 C CB -0.725 26.332 27.740 -1.139 0.000 2.010 445 C HN 0.516 nan 8.230 nan 0.000 0.483 446 I N 1.353 121.624 120.570 -0.497 0.000 2.252 446 I HA -0.186 3.980 4.170 -0.006 0.000 0.245 446 I C 2.762 178.729 176.117 -0.251 0.000 1.102 446 I CA 1.588 62.640 61.300 -0.413 0.000 1.385 446 I CB -0.592 37.006 38.000 -0.670 0.000 1.064 446 I HN 0.263 nan 8.210 nan 0.000 0.414 447 A N 0.674 123.316 122.820 -0.297 0.000 1.933 447 A HA -0.101 4.215 4.320 -0.006 0.000 0.218 447 A C 2.204 179.833 177.584 0.076 0.000 1.175 447 A CA 1.888 53.792 52.037 -0.221 0.000 0.628 447 A CB -1.136 17.539 19.000 -0.542 0.000 0.814 447 A HN 0.477 nan 8.150 nan 0.000 0.444 448 G N -1.142 107.646 108.800 -0.021 0.000 3.284 448 G HA2 0.419 4.375 3.960 -0.006 0.000 0.236 448 G HA3 0.419 4.375 3.960 -0.006 0.000 0.236 448 G C 0.067 174.811 174.900 -0.260 0.000 1.158 448 G CA 0.459 45.430 45.100 -0.215 0.000 0.774 448 G HN 0.338 nan 8.290 nan 0.000 0.545 449 S N -0.290 115.311 115.700 -0.165 0.000 2.536 449 S HA 0.322 4.789 4.470 -0.006 0.000 0.298 449 S C 0.701 175.251 174.600 -0.083 0.000 1.083 449 S CA -0.716 57.415 58.200 -0.115 0.000 0.995 449 S CB 1.273 64.409 63.200 -0.106 0.000 1.058 449 S HN 0.505 nan 8.310 nan 0.000 0.488 450 H N -0.038 118.991 119.070 -0.069 0.000 2.548 450 H HA 0.502 5.055 4.556 -0.006 0.000 0.265 450 H C 0.096 175.402 175.328 -0.037 0.000 0.969 450 H CA 0.242 56.273 56.048 -0.028 0.000 1.155 450 H CB 0.126 29.891 29.762 0.004 0.000 1.394 450 H HN 0.508 nan 8.280 nan 0.000 0.570 451 A N 0.926 123.420 122.820 -0.544 0.000 2.488 451 A HA 0.558 4.874 4.320 -0.006 0.000 0.298 451 A C -1.455 175.921 177.584 -0.348 0.000 1.044 451 A CA -0.569 51.201 52.037 -0.445 0.000 0.693 451 A CB 2.190 20.879 19.000 -0.518 0.000 1.272 451 A HN 0.095 nan 8.150 nan 0.000 0.402 452 V N 4.216 123.893 119.914 -0.396 0.000 2.577 452 V HA 0.548 4.664 4.120 -0.006 0.000 0.303 452 V C -0.815 175.092 176.094 -0.312 0.000 1.042 452 V CA -0.754 61.315 62.300 -0.386 0.000 0.872 452 V CB 1.845 33.293 31.823 -0.626 0.000 0.998 452 V HN 1.026 nan 8.190 nan 0.000 0.423 453 N N 3.145 121.683 118.700 -0.269 0.000 2.262 453 N HA 0.619 5.355 4.740 -0.006 0.000 0.295 453 N C -0.291 175.120 175.510 -0.166 0.000 1.161 453 N CA -0.379 52.556 53.050 -0.193 0.000 0.767 453 N CB 2.857 41.206 38.487 -0.230 0.000 1.499 453 N HN 0.635 nan 8.380 nan 0.000 0.476 454 G N -0.824 107.914 108.800 -0.103 0.000 2.511 454 G HA2 0.428 4.384 3.960 -0.006 0.000 0.316 454 G HA3 0.428 4.384 3.960 -0.006 0.000 0.316 454 G C 0.733 175.694 174.900 0.101 0.000 1.210 454 G CA -0.526 44.558 45.100 -0.026 0.000 0.969 454 G HN 0.629 nan 8.290 nan 0.000 0.492 455 V N -3.537 116.556 119.914 0.299 0.000 3.376 455 V HA 0.691 4.808 4.120 -0.006 0.000 0.313 455 V C 0.559 176.735 176.094 0.137 0.000 1.393 455 V CA 0.318 62.708 62.300 0.150 0.000 1.125 455 V CB -0.816 31.058 31.823 0.084 0.000 1.037 455 V HN 1.315 nan 8.190 nan 0.000 0.440 456 A N -0.106 122.803 122.820 0.148 0.000 2.605 456 A HA 0.633 4.949 4.320 -0.006 0.000 0.294 456 A C 0.688 178.321 177.584 0.081 0.000 1.062 456 A CA -0.137 51.965 52.037 0.109 0.000 0.682 456 A CB 1.225 20.278 19.000 0.089 0.000 1.278 456 A HN 0.031 nan 8.150 nan 0.000 0.410 457 R N 0.913 121.440 120.500 0.046 0.000 2.096 457 R HA -0.163 4.173 4.340 -0.006 0.000 0.240 457 R C 1.657 177.956 176.300 -0.003 0.000 1.139 457 R CA 2.313 58.418 56.100 0.009 0.000 0.952 457 R CB -0.227 30.073 30.300 0.001 0.000 0.854 457 R HN 0.826 nan 8.270 nan 0.000 0.436 458 I N 0.251 120.828 120.570 0.011 0.000 2.361 458 I HA -0.283 3.884 4.170 -0.006 0.000 0.251 458 I C 2.295 178.420 176.117 0.014 0.000 1.133 458 I CA 1.745 63.044 61.300 -0.002 0.000 1.413 458 I CB -0.209 37.789 38.000 -0.003 0.000 1.073 458 I HN 0.347 nan 8.210 nan 0.000 0.424 459 H N 0.277 119.315 119.070 -0.054 0.000 2.326 459 H HA -0.101 4.451 4.556 -0.006 0.000 0.301 459 H C 2.277 177.562 175.328 -0.072 0.000 1.081 459 H CA 2.147 58.155 56.048 -0.066 0.000 1.334 459 H CB -0.264 29.465 29.762 -0.055 0.000 1.385 459 H HN 0.218 nan 8.280 nan 0.000 0.504 460 S N 0.375 115.957 115.700 -0.197 0.000 2.399 460 S HA -0.123 4.343 4.470 -0.006 0.000 0.231 460 S C 1.881 176.355 174.600 -0.210 0.000 1.022 460 S CA 1.212 59.270 58.200 -0.236 0.000 0.983 460 S CB -0.068 63.067 63.200 -0.108 0.000 0.803 460 S HN 0.481 nan 8.310 nan 0.000 0.480 461 E N 1.145 121.247 120.200 -0.164 0.000 2.072 461 E HA 0.017 4.363 4.350 -0.006 0.000 0.191 461 E C 2.014 178.498 176.600 -0.195 0.000 0.985 461 E CA 0.614 56.908 56.400 -0.175 0.000 0.801 461 E CB -0.348 29.282 29.700 -0.118 0.000 0.750 461 E HN 0.507 nan 8.360 nan 0.000 0.452 462 I N 0.956 121.423 120.570 -0.170 0.000 2.286 462 I HA -0.265 3.902 4.170 -0.006 0.000 0.248 462 I C 2.376 178.360 176.117 -0.222 0.000 1.115 462 I CA 0.753 61.957 61.300 -0.160 0.000 1.392 462 I CB -0.215 37.722 38.000 -0.105 0.000 1.065 462 I HN 0.061 nan 8.210 nan 0.000 0.418 463 L N 0.402 121.446 121.223 -0.299 0.000 2.046 463 L HA -0.226 4.111 4.340 -0.006 0.000 0.208 463 L C 2.472 179.209 176.870 -0.222 0.000 1.077 463 L CA 1.561 56.215 54.840 -0.309 0.000 0.747 463 L CB -0.544 41.374 42.059 -0.235 0.000 0.896 463 L HN 0.200 nan 8.230 nan 0.000 0.432 464 K N -0.055 120.156 120.400 -0.315 0.000 2.217 464 K HA -0.109 4.208 4.320 -0.006 0.000 0.202 464 K C 1.963 178.372 176.600 -0.318 0.000 1.051 464 K CA 0.906 56.884 56.287 -0.515 0.000 0.952 464 K CB 0.069 32.001 32.500 -0.947 0.000 0.736 464 K HN 0.265 nan 8.250 nan 0.000 0.453 465 K N -0.313 119.952 120.400 -0.224 0.000 2.323 465 K HA 0.050 4.366 4.320 -0.006 0.000 0.197 465 K C 1.108 177.658 176.600 -0.083 0.000 1.043 465 K CA 0.757 56.966 56.287 -0.129 0.000 0.997 465 K CB 0.624 33.056 32.500 -0.114 0.000 0.807 465 K HN 0.042 nan 8.250 nan 0.000 0.497 466 T N 0.377 114.872 114.554 -0.099 0.000 2.995 466 T HA 0.053 4.399 4.350 -0.006 0.000 0.170 466 T C 1.374 176.046 174.700 -0.047 0.000 0.844 466 T CA -0.422 61.637 62.100 -0.069 0.000 1.137 466 T CB -0.421 68.396 68.868 -0.085 0.000 2.193 466 T HN -0.097 nan 8.240 nan 0.000 0.384 467 I N 1.181 121.670 120.570 -0.135 0.000 2.143 467 I HA -0.133 4.034 4.170 -0.006 0.000 0.245 467 I C 0.945 177.113 176.117 0.085 0.000 1.068 467 I CA 1.836 63.034 61.300 -0.170 0.000 1.326 467 I CB -0.270 37.409 38.000 -0.535 0.000 1.028 467 I HN 0.411 nan 8.210 nan 0.000 0.412 468 F N -0.645 119.379 119.950 0.124 0.000 2.708 468 F HA 0.184 4.707 4.527 -0.006 0.000 0.300 468 F C 1.882 177.774 175.800 0.153 0.000 1.118 468 F CA -0.494 57.654 58.000 0.246 0.000 1.307 468 F CB -0.118 39.027 39.000 0.242 0.000 0.986 468 F HN -0.062 nan 8.300 nan 0.000 0.522 469 K N 1.128 121.650 120.400 0.204 0.000 2.059 469 K HA -0.229 4.088 4.320 -0.006 0.000 0.212 469 K C 1.344 177.997 176.600 0.088 0.000 1.050 469 K CA 2.265 58.607 56.287 0.092 0.000 0.927 469 K CB -0.021 32.499 32.500 0.035 0.000 0.714 469 K HN 0.159 nan 8.250 nan 0.000 0.447 470 D N -0.221 120.206 120.400 0.044 0.000 2.144 470 D HA -0.157 4.479 4.640 -0.006 0.000 0.199 470 D C 1.824 178.024 176.300 -0.168 0.000 0.984 470 D CA 1.224 55.119 54.000 -0.175 0.000 0.834 470 D CB -0.275 40.319 40.800 -0.344 0.000 0.955 470 D HN 0.253 nan 8.370 nan 0.000 0.465 471 F N -0.088 119.930 119.950 0.113 0.000 2.186 471 F HA -0.141 4.382 4.527 -0.006 0.000 0.299 471 F C 2.353 178.287 175.800 0.223 0.000 1.090 471 F CA 0.501 58.646 58.000 0.241 0.000 1.307 471 F CB -0.684 38.527 39.000 0.353 0.000 1.019 471 F HN -0.041 nan 8.300 nan 0.000 0.489 472 Y N 1.406 121.659 120.300 -0.078 0.000 2.181 472 Y HA -0.204 4.342 4.550 -0.006 0.000 0.288 472 Y C 2.139 178.019 175.900 -0.033 0.000 1.146 472 Y CA 1.641 59.506 58.100 -0.392 0.000 1.164 472 Y CB -0.656 37.404 38.460 -0.666 0.000 0.982 472 Y HN 0.138 nan 8.280 nan 0.000 0.515 473 E N -0.192 119.948 120.200 -0.101 0.000 2.153 473 E HA -0.196 4.151 4.350 -0.006 0.000 0.194 473 E C 2.231 178.883 176.600 0.086 0.000 0.988 473 E CA 1.036 57.388 56.400 -0.080 0.000 0.811 473 E CB -0.221 29.469 29.700 -0.016 0.000 0.746 473 E HN 0.444 nan 8.360 nan 0.000 0.466 474 L N 0.701 122.017 121.223 0.155 0.000 2.095 474 L HA -0.040 4.297 4.340 -0.006 0.000 0.204 474 L C 0.135 177.106 176.870 0.168 0.000 1.080 474 L CA 1.480 56.455 54.840 0.225 0.000 0.759 474 L CB 0.179 42.364 42.059 0.210 0.000 0.914 474 L HN 0.028 nan 8.230 nan 0.000 0.439 475 E N 0.194 120.498 120.200 0.173 0.000 3.132 475 E HA 0.158 4.504 4.350 -0.006 0.000 0.241 475 E C -1.902 174.693 176.600 -0.008 0.000 1.196 475 E CA -1.314 55.130 56.400 0.072 0.000 0.869 475 E CB 1.023 30.745 29.700 0.036 0.000 1.387 475 E HN 0.201 nan 8.360 nan 0.000 0.393 476 P HA -0.260 nan 4.420 nan 0.000 0.216 476 P C 1.241 178.662 177.300 0.203 0.000 1.150 476 P CA 1.470 64.531 63.100 -0.066 0.000 0.837 476 P CB -0.038 31.491 31.700 -0.284 0.000 0.786 477 H N 0.418 119.595 119.070 0.178 0.000 2.489 477 H HA 0.013 4.566 4.556 -0.006 0.000 0.295 477 H C 1.488 176.906 175.328 0.149 0.000 1.082 477 H CA 0.945 57.085 56.048 0.153 0.000 1.295 477 H CB -0.837 28.985 29.762 0.101 0.000 1.380 477 H HN 0.184 nan 8.280 nan 0.000 0.548 478 K N 0.272 120.527 120.400 -0.242 0.000 2.217 478 K HA 0.038 4.354 4.320 -0.006 0.000 0.202 478 K C -0.061 176.366 176.600 -0.287 0.000 1.051 478 K CA 0.228 56.360 56.287 -0.258 0.000 0.952 478 K CB 0.074 32.312 32.500 -0.437 0.000 0.736 478 K HN 0.108 nan 8.250 nan 0.000 0.453 479 F N 1.879 121.850 119.950 0.035 0.000 2.438 479 F HA 0.150 4.674 4.527 -0.006 0.000 0.356 479 F C 0.548 176.349 175.800 0.002 0.000 1.099 479 F CA -0.071 57.956 58.000 0.045 0.000 1.185 479 F CB 0.811 39.895 39.000 0.140 0.000 1.115 479 F HN -0.086 nan 8.300 nan 0.000 0.526 480 Q N 1.739 121.560 119.800 0.036 0.000 2.605 480 Q HA 0.363 4.699 4.340 -0.006 0.000 0.296 480 Q C -1.194 174.763 176.000 -0.072 0.000 1.056 480 Q CA -1.270 54.512 55.803 -0.035 0.000 0.778 480 Q CB 3.105 31.767 28.738 -0.126 0.000 1.497 480 Q HN 0.638 nan 8.270 nan 0.000 0.443 481 N N 0.597 119.236 118.700 -0.100 0.000 2.269 481 N HA 0.304 5.040 4.740 -0.006 0.000 0.304 481 N C -1.512 173.900 175.510 -0.164 0.000 1.072 481 N CA -0.404 52.585 53.050 -0.101 0.000 0.802 481 N CB 1.128 39.578 38.487 -0.061 0.000 1.348 481 N HN 0.278 nan 8.380 nan 0.000 0.484 482 K N 2.647 122.957 120.400 -0.150 0.000 2.803 482 K HA 0.174 4.491 4.320 -0.006 0.000 0.229 482 K C -1.044 175.564 176.600 0.013 0.000 1.084 482 K CA -0.464 55.707 56.287 -0.193 0.000 1.063 482 K CB 1.161 33.331 32.500 -0.549 0.000 1.254 482 K HN 0.557 nan 8.250 nan 0.000 0.551 483 T N 1.999 116.578 114.554 0.040 0.000 2.902 483 T HA 0.057 4.403 4.350 -0.006 0.000 0.301 483 T C 0.823 175.649 174.700 0.209 0.000 1.012 483 T CA 0.377 62.552 62.100 0.125 0.000 1.151 483 T CB 0.292 69.234 68.868 0.122 0.000 0.946 483 T HN 0.347 nan 8.240 nan 0.000 0.542 484 N N 0.602 119.450 118.700 0.247 0.000 2.267 484 N HA 0.408 5.144 4.740 -0.006 0.000 0.226 484 N C 0.479 176.177 175.510 0.314 0.000 1.314 484 N CA -0.146 53.085 53.050 0.302 0.000 0.887 484 N CB 0.370 38.979 38.487 0.203 0.000 1.120 484 N HN 0.767 nan 8.380 nan 0.000 0.440 485 G N -0.739 108.253 108.800 0.320 0.000 2.649 485 G HA2 0.569 4.525 3.960 -0.006 0.000 0.290 485 G HA3 0.569 4.525 3.960 -0.006 0.000 0.290 485 G C -1.439 173.599 174.900 0.229 0.000 1.426 485 G CA -0.749 44.525 45.100 0.290 0.000 0.794 485 G HN 0.593 nan 8.290 nan 0.000 0.483 486 I N -2.234 118.455 120.570 0.197 0.000 2.785 486 I HA 0.762 4.928 4.170 -0.006 0.000 0.302 486 I C -0.198 176.081 176.117 0.269 0.000 1.069 486 I CA -0.954 60.455 61.300 0.182 0.000 1.045 486 I CB 2.451 40.447 38.000 -0.008 0.000 1.236 486 I HN 0.496 nan 8.210 nan 0.000 0.429 487 T N 4.320 119.090 114.554 0.361 0.000 2.794 487 T HA 0.338 4.684 4.350 -0.006 0.000 0.296 487 T C -1.332 173.487 174.700 0.199 0.000 0.949 487 T CA -1.620 60.614 62.100 0.222 0.000 1.101 487 T CB 0.742 69.687 68.868 0.129 0.000 0.905 487 T HN 0.639 nan 8.240 nan 0.000 0.516 488 P HA 0.018 nan 4.420 nan 0.000 0.234 488 P C 1.033 178.297 177.300 -0.061 0.000 1.167 488 P CA 0.359 63.493 63.100 0.057 0.000 0.763 488 P CB 0.388 32.105 31.700 0.029 0.000 0.835 489 R N 0.452 120.870 120.500 -0.136 0.000 2.056 489 R HA 0.032 4.368 4.340 -0.006 0.000 0.227 489 R C 2.719 178.892 176.300 -0.212 0.000 1.149 489 R CA 1.474 57.449 56.100 -0.208 0.000 0.937 489 R CB -1.229 28.952 30.300 -0.198 0.000 0.835 489 R HN 0.041 nan 8.270 nan 0.000 0.430 490 R N -0.766 119.547 120.500 -0.311 0.000 2.092 490 R HA -0.110 4.226 4.340 -0.006 0.000 0.231 490 R C 0.996 176.900 176.300 -0.660 0.000 1.119 490 R CA 1.519 57.275 56.100 -0.574 0.000 0.970 490 R CB -0.148 29.631 30.300 -0.869 0.000 0.864 490 R HN 0.289 nan 8.270 nan 0.000 0.440 491 W N -0.111 121.144 121.300 -0.074 0.000 3.405 491 W HA 0.148 4.803 4.660 -0.007 0.000 0.300 491 W C 0.921 177.408 176.519 -0.053 0.000 1.286 491 W CA -0.651 56.650 57.345 -0.074 0.000 1.762 491 W CB 0.397 29.819 29.460 -0.064 0.000 1.087 491 W HN 0.226 nan 8.180 nan 0.000 0.703 492 L N -2.479 118.787 121.223 0.071 0.000 2.604 492 L HA 0.164 4.500 4.340 -0.006 0.000 0.150 492 L C 1.749 178.630 176.870 0.019 0.000 1.292 492 L CA 0.695 55.580 54.840 0.074 0.000 0.977 492 L CB -0.855 41.276 42.059 0.120 0.000 1.943 492 L HN -0.266 nan 8.230 nan 0.000 0.508 493 V N 1.300 121.203 119.914 -0.019 0.000 2.287 493 V HA -0.285 3.831 4.120 -0.006 0.000 0.248 493 V C 2.436 178.499 176.094 -0.052 0.000 1.053 493 V CA 2.565 64.844 62.300 -0.034 0.000 1.027 493 V CB -0.696 31.076 31.823 -0.085 0.000 0.646 493 V HN 0.520 nan 8.190 nan 0.000 0.447 494 L N 0.447 121.607 121.223 -0.104 0.000 2.023 494 L HA -0.174 4.162 4.340 -0.006 0.000 0.205 494 L C 2.487 179.287 176.870 -0.116 0.000 1.073 494 L CA 2.355 57.118 54.840 -0.128 0.000 0.745 494 L CB -0.260 41.673 42.059 -0.210 0.000 0.900 494 L HN 0.654 nan 8.230 nan 0.000 0.435 495 C N -1.657 117.566 119.300 -0.129 0.000 2.563 495 C HA 0.197 4.654 4.460 -0.006 0.000 0.268 495 C C 1.183 176.151 174.990 -0.037 0.000 1.365 495 C CA -0.288 58.674 59.018 -0.093 0.000 1.754 495 C CB -1.040 26.640 27.740 -0.100 0.000 1.932 495 C HN 0.598 nan 8.230 nan 0.000 0.536 496 N N 1.160 119.851 118.700 -0.016 0.000 2.703 496 N HA 0.270 5.007 4.740 -0.006 0.000 0.283 496 N C -1.679 173.842 175.510 0.018 0.000 1.851 496 N CA -1.557 51.497 53.050 0.007 0.000 0.826 496 N CB 0.758 39.259 38.487 0.023 0.000 1.239 496 N HN 0.256 nan 8.380 nan 0.000 0.495 497 P HA -0.065 nan 4.420 nan 0.000 0.218 497 P C 1.393 178.711 177.300 0.028 0.000 1.148 497 P CA 0.972 64.083 63.100 0.018 0.000 0.822 497 P CB 0.218 31.921 31.700 0.005 0.000 0.784 498 G N 0.508 109.320 108.800 0.020 0.000 2.440 498 G HA2 -0.242 3.714 3.960 -0.006 0.000 0.218 498 G HA3 -0.242 3.714 3.960 -0.006 0.000 0.218 498 G C 1.529 176.443 174.900 0.023 0.000 1.154 498 G CA 0.670 45.780 45.100 0.017 0.000 0.767 498 G HN 0.265 nan 8.290 nan 0.000 0.552 499 L N 1.090 122.328 121.223 0.027 0.000 2.095 499 L HA 0.348 4.684 4.340 -0.006 0.000 0.204 499 L C 3.009 179.920 176.870 0.067 0.000 1.080 499 L CA 1.896 56.754 54.840 0.029 0.000 0.759 499 L CB -0.686 41.388 42.059 0.026 0.000 0.914 499 L HN 0.203 nan 8.230 nan 0.000 0.439 500 A N -0.724 122.156 122.820 0.099 0.000 1.933 500 A HA -0.236 4.080 4.320 -0.006 0.000 0.218 500 A C 2.229 179.920 177.584 0.177 0.000 1.175 500 A CA 1.763 53.914 52.037 0.190 0.000 0.628 500 A CB -0.615 18.486 19.000 0.169 0.000 0.814 500 A HN 0.538 nan 8.150 nan 0.000 0.444 501 E N 0.713 120.975 120.200 0.104 0.000 2.046 501 E HA -0.145 4.202 4.350 -0.006 0.000 0.190 501 E C 1.850 178.493 176.600 0.073 0.000 0.982 501 E CA 1.525 57.974 56.400 0.082 0.000 0.800 501 E CB -0.501 29.228 29.700 0.049 0.000 0.756 501 E HN 0.737 nan 8.360 nan 0.000 0.449 502 I N -1.764 118.846 120.570 0.068 0.000 2.493 502 I HA -0.121 4.045 4.170 -0.006 0.000 0.254 502 I C 2.093 178.284 176.117 0.123 0.000 1.160 502 I CA 1.022 62.376 61.300 0.091 0.000 1.445 502 I CB -0.329 37.722 38.000 0.084 0.000 1.086 502 I HN 0.017 nan 8.210 nan 0.000 0.433 503 I N 2.004 122.626 120.570 0.087 0.000 2.233 503 I HA -0.164 4.002 4.170 -0.006 0.000 0.243 503 I C 3.030 179.098 176.117 -0.082 0.000 1.093 503 I CA 1.280 62.555 61.300 -0.042 0.000 1.380 503 I CB -0.482 37.383 38.000 -0.225 0.000 1.067 503 I HN 0.278 nan 8.210 nan 0.000 0.413 504 A N 0.412 123.280 122.820 0.079 0.000 1.978 504 A HA -0.238 4.078 4.320 -0.006 0.000 0.220 504 A C 2.149 179.762 177.584 0.049 0.000 1.170 504 A CA 1.666 53.801 52.037 0.163 0.000 0.636 504 A CB -0.617 18.514 19.000 0.218 0.000 0.810 504 A HN 0.452 nan 8.150 nan 0.000 0.448 505 E N -0.729 119.477 120.200 0.010 0.000 2.160 505 E HA -0.196 4.151 4.350 -0.006 0.000 0.195 505 E C 2.262 178.812 176.600 -0.082 0.000 0.991 505 E CA 1.132 57.519 56.400 -0.021 0.000 0.810 505 E CB -0.041 29.649 29.700 -0.016 0.000 0.742 505 E HN 0.497 nan 8.360 nan 0.000 0.466 506 R N 0.155 120.545 120.500 -0.183 0.000 2.087 506 R HA 0.071 4.407 4.340 -0.006 0.000 0.216 506 R C 2.312 178.533 176.300 -0.132 0.000 1.114 506 R CA 0.888 56.803 56.100 -0.308 0.000 1.002 506 R CB -0.242 29.549 30.300 -0.848 0.000 0.903 506 R HN 0.316 nan 8.270 nan 0.000 0.445 507 I N -2.726 117.785 120.570 -0.098 0.000 4.081 507 I HA 0.431 4.597 4.170 -0.006 0.000 0.333 507 I C 0.362 176.521 176.117 0.070 0.000 1.413 507 I CA 0.017 61.317 61.300 -0.001 0.000 1.110 507 I CB 0.701 38.690 38.000 -0.018 0.000 1.082 507 I HN 0.176 nan 8.210 nan 0.000 0.402 508 G N 2.441 111.291 108.800 0.085 0.000 2.728 508 G HA2 -0.216 3.741 3.960 -0.006 0.000 0.294 508 G HA3 -0.216 3.741 3.960 -0.006 0.000 0.294 508 G C -0.082 174.959 174.900 0.236 0.000 1.342 508 G CA 0.138 45.312 45.100 0.123 0.000 0.866 508 G HN 0.521 nan 8.290 nan 0.000 0.534 509 E N -0.385 119.904 120.200 0.148 0.000 2.481 509 E HA 0.112 4.458 4.350 -0.006 0.000 0.198 509 E C 1.730 178.292 176.600 -0.063 0.000 1.027 509 E CA 0.024 56.453 56.400 0.048 0.000 0.900 509 E CB 0.442 30.153 29.700 0.018 0.000 0.993 509 E HN 0.433 nan 8.360 nan 0.000 0.482 510 E N 0.932 121.165 120.200 0.056 0.000 2.209 510 E HA -0.197 4.149 4.350 -0.006 0.000 0.196 510 E C 1.675 178.282 176.600 0.012 0.000 0.993 510 E CA 1.017 57.440 56.400 0.039 0.000 0.819 510 E CB -0.061 29.682 29.700 0.072 0.000 0.745 510 E HN 0.565 nan 8.360 nan 0.000 0.477 511 Y N -0.718 119.591 120.300 0.014 0.000 2.403 511 Y HA -0.116 4.431 4.550 -0.004 0.000 0.291 511 Y C 1.906 177.787 175.900 -0.032 0.000 1.143 511 Y CA 0.459 58.559 58.100 -0.001 0.000 1.257 511 Y CB -0.512 37.952 38.460 0.006 0.000 0.984 511 Y HN -0.092 nan 8.280 nan 0.000 0.550 512 I N 1.290 121.385 120.570 -0.793 0.000 2.315 512 I HA -0.238 3.928 4.170 -0.006 0.000 0.251 512 I C 1.718 177.578 176.117 -0.428 0.000 1.125 512 I CA 1.886 62.763 61.300 -0.705 0.000 1.392 512 I CB -1.473 36.044 38.000 -0.806 0.000 1.065 512 I HN 0.567 nan 8.210 nan 0.000 0.424 513 S N -1.561 114.001 115.700 -0.229 0.000 2.754 513 S HA 0.235 4.702 4.470 -0.006 0.000 0.247 513 S C 0.172 174.758 174.600 -0.023 0.000 1.031 513 S CA -0.468 57.673 58.200 -0.098 0.000 1.014 513 S CB 0.365 63.580 63.200 0.025 0.000 0.918 513 S HN 0.315 nan 8.310 nan 0.000 0.519 514 D N 0.796 121.190 120.400 -0.010 0.000 3.250 514 D HA 0.205 4.841 4.640 -0.006 0.000 0.252 514 D C 0.644 176.988 176.300 0.073 0.000 1.342 514 D CA -0.323 53.696 54.000 0.031 0.000 0.807 514 D CB -0.211 40.612 40.800 0.039 0.000 1.449 514 D HN 0.170 nan 8.370 nan 0.000 0.610 515 L N 0.401 121.668 121.223 0.073 0.000 2.189 515 L HA -0.147 4.189 4.340 -0.006 0.000 0.214 515 L C 1.220 178.145 176.870 0.091 0.000 1.097 515 L CA 1.122 56.034 54.840 0.121 0.000 0.764 515 L CB 0.055 42.175 42.059 0.101 0.000 0.900 515 L HN 0.301 nan 8.230 nan 0.000 0.436 516 D N -0.353 120.076 120.400 0.048 0.000 2.265 516 D HA -0.215 4.422 4.640 -0.006 0.000 0.208 516 D C 2.024 178.346 176.300 0.037 0.000 0.977 516 D CA 0.917 54.931 54.000 0.023 0.000 0.871 516 D CB -0.018 40.782 40.800 0.001 0.000 0.925 516 D HN 0.512 nan 8.370 nan 0.000 0.485 517 Q N -0.226 119.615 119.800 0.067 0.000 2.437 517 Q HA -0.097 4.240 4.340 -0.006 0.000 0.210 517 Q C 1.792 177.814 176.000 0.036 0.000 0.972 517 Q CA 0.142 55.985 55.803 0.066 0.000 0.903 517 Q CB 0.086 28.893 28.738 0.115 0.000 0.967 517 Q HN 0.189 nan 8.270 nan 0.000 0.486 518 L N 0.544 121.784 121.223 0.029 0.000 2.265 518 L HA -0.175 4.162 4.340 -0.006 0.000 0.215 518 L C 2.023 178.895 176.870 0.002 0.000 1.117 518 L CA 1.528 56.355 54.840 -0.023 0.000 0.782 518 L CB -0.411 41.649 42.059 0.003 0.000 0.914 518 L HN 0.120 nan 8.230 nan 0.000 0.441 519 R N -0.554 119.955 120.500 0.014 0.000 2.159 519 R HA -0.178 4.158 4.340 -0.006 0.000 0.237 519 R C 1.980 178.284 176.300 0.007 0.000 1.131 519 R CA 0.982 57.090 56.100 0.013 0.000 0.982 519 R CB -0.220 30.083 30.300 0.005 0.000 0.868 519 R HN 0.391 nan 8.270 nan 0.000 0.453 520 K N 0.562 120.965 120.400 0.006 0.000 2.360 520 K HA -0.101 4.216 4.320 -0.006 0.000 0.201 520 K C 1.753 178.375 176.600 0.037 0.000 1.046 520 K CA 0.802 57.092 56.287 0.006 0.000 0.945 520 K CB -0.042 32.470 32.500 0.021 0.000 0.750 520 K HN 0.230 nan 8.250 nan 0.000 0.464 521 L N 0.466 121.720 121.223 0.052 0.000 2.465 521 L HA -0.117 4.219 4.340 -0.006 0.000 0.224 521 L C 1.846 178.787 176.870 0.118 0.000 1.145 521 L CA -0.003 54.905 54.840 0.113 0.000 0.834 521 L CB -0.200 41.900 42.059 0.068 0.000 0.944 521 L HN 0.112 nan 8.230 nan 0.000 0.451 522 L N 0.071 121.321 121.223 0.044 0.000 2.191 522 L HA -0.176 4.160 4.340 -0.006 0.000 0.212 522 L C 2.619 179.467 176.870 -0.037 0.000 1.103 522 L CA 1.815 56.668 54.840 0.022 0.000 0.769 522 L CB -0.674 41.384 42.059 -0.000 0.000 0.908 522 L HN 0.339 nan 8.230 nan 0.000 0.438 523 S N -2.812 112.798 115.700 -0.149 0.000 2.660 523 S HA -0.044 4.422 4.470 -0.006 0.000 0.223 523 S C 1.052 175.376 174.600 -0.460 0.000 0.963 523 S CA 0.163 58.176 58.200 -0.311 0.000 0.932 523 S CB -0.497 62.450 63.200 -0.421 0.000 0.775 523 S HN 0.440 nan 8.310 nan 0.000 0.531 524 Y N -0.500 119.755 120.300 -0.075 0.000 2.557 524 Y HA 0.430 4.978 4.550 -0.003 0.000 0.247 524 Y C 1.833 177.797 175.900 0.107 0.000 1.164 524 Y CA -0.771 57.290 58.100 -0.064 0.000 1.218 524 Y CB 0.149 38.387 38.460 -0.370 0.000 1.210 524 Y HN 0.263 nan 8.280 nan 0.000 0.529 525 V N 0.347 120.371 119.914 0.184 0.000 2.720 525 V HA -0.200 3.917 4.120 -0.006 0.000 0.256 525 V C 0.856 177.026 176.094 0.125 0.000 1.082 525 V CA 2.210 64.610 62.300 0.166 0.000 1.101 525 V CB 0.007 31.884 31.823 0.090 0.000 0.693 525 V HN 0.305 nan 8.190 nan 0.000 0.479 526 D N -0.778 119.681 120.400 0.098 0.000 2.433 526 D HA 0.127 4.764 4.640 -0.006 0.000 0.211 526 D C 0.392 176.750 176.300 0.095 0.000 1.114 526 D CA -0.004 54.040 54.000 0.073 0.000 0.837 526 D CB 0.080 40.900 40.800 0.033 0.000 0.984 526 D HN 0.432 nan 8.370 nan 0.000 0.505 527 D N 1.449 121.944 120.400 0.159 0.000 2.338 527 D HA -0.036 4.601 4.640 -0.006 0.000 0.255 527 D C 1.206 177.610 176.300 0.174 0.000 1.237 527 D CA 0.025 54.139 54.000 0.189 0.000 0.883 527 D CB 1.458 42.450 40.800 0.319 0.000 1.087 527 D HN -0.185 nan 8.370 nan 0.000 0.485 528 E N 3.395 123.662 120.200 0.112 0.000 2.160 528 E HA -0.161 4.186 4.350 -0.006 0.000 0.195 528 E C 1.655 178.306 176.600 0.085 0.000 0.991 528 E CA 1.434 57.883 56.400 0.081 0.000 0.810 528 E CB -0.003 29.730 29.700 0.054 0.000 0.742 528 E HN 0.581 nan 8.360 nan 0.000 0.466 529 A N -0.356 122.529 122.820 0.109 0.000 1.872 529 A HA -0.105 4.211 4.320 -0.006 0.000 0.214 529 A C 2.244 179.910 177.584 0.137 0.000 1.187 529 A CA 1.219 53.317 52.037 0.100 0.000 0.614 529 A CB -0.978 18.080 19.000 0.097 0.000 0.826 529 A HN 0.441 nan 8.150 nan 0.000 0.442 530 F N 0.465 120.416 119.950 0.002 0.000 2.102 530 F HA -0.169 4.355 4.527 -0.005 0.000 0.298 530 F C 2.076 177.875 175.800 -0.003 0.000 1.105 530 F CA 1.581 59.566 58.000 -0.025 0.000 1.239 530 F CB -0.105 38.882 39.000 -0.022 0.000 0.991 530 F HN 0.161 nan 8.300 nan 0.000 0.474 531 I N 0.194 120.784 120.570 0.033 0.000 2.194 531 I HA -0.364 3.803 4.170 -0.006 0.000 0.246 531 I C 2.566 178.625 176.117 -0.096 0.000 1.093 531 I CA 1.699 62.963 61.300 -0.060 0.000 1.355 531 I CB -0.511 37.505 38.000 0.026 0.000 1.046 531 I HN 0.119 nan 8.210 nan 0.000 0.413 532 R N 0.852 121.323 120.500 -0.047 0.000 2.092 532 R HA -0.178 4.159 4.340 -0.006 0.000 0.231 532 R C 1.862 178.115 176.300 -0.079 0.000 1.119 532 R CA 1.769 57.840 56.100 -0.047 0.000 0.970 532 R CB -0.099 30.192 30.300 -0.015 0.000 0.864 532 R HN 0.292 nan 8.270 nan 0.000 0.440 533 D N -0.277 120.061 120.400 -0.104 0.000 2.117 533 D HA -0.112 4.525 4.640 -0.006 0.000 0.198 533 D C 1.931 178.114 176.300 -0.194 0.000 0.982 533 D CA 1.126 55.055 54.000 -0.119 0.000 0.828 533 D CB -0.103 40.650 40.800 -0.078 0.000 0.967 533 D HN 0.089 nan 8.370 nan 0.000 0.464 534 V N 1.580 121.284 119.914 -0.351 0.000 2.295 534 V HA -0.241 3.875 4.120 -0.006 0.000 0.246 534 V C 2.549 178.549 176.094 -0.157 0.000 1.049 534 V CA 1.892 63.991 62.300 -0.335 0.000 1.024 534 V CB -0.793 30.747 31.823 -0.471 0.000 0.648 534 V HN 0.181 nan 8.190 nan 0.000 0.447 535 A N -0.613 122.135 122.820 -0.121 0.000 1.972 535 A HA -0.243 4.074 4.320 -0.006 0.000 0.219 535 A C 2.350 179.898 177.584 -0.060 0.000 1.169 535 A CA 2.055 54.054 52.037 -0.063 0.000 0.635 535 A CB -0.442 18.524 19.000 -0.056 0.000 0.810 535 A HN 0.527 nan 8.150 nan 0.000 0.446 536 K N 0.175 120.536 120.400 -0.066 0.000 2.057 536 K HA -0.103 4.213 4.320 -0.006 0.000 0.206 536 K C 1.960 178.537 176.600 -0.039 0.000 1.050 536 K CA 1.663 57.921 56.287 -0.048 0.000 0.935 536 K CB -0.340 32.135 32.500 -0.042 0.000 0.715 536 K HN 0.422 nan 8.250 nan 0.000 0.439 537 V N -0.230 119.657 119.914 -0.046 0.000 2.407 537 V HA -0.188 3.929 4.120 -0.006 0.000 0.248 537 V C 2.244 178.327 176.094 -0.018 0.000 1.055 537 V CA 1.955 64.238 62.300 -0.028 0.000 1.049 537 V CB -0.691 31.112 31.823 -0.034 0.000 0.662 537 V HN 0.181 nan 8.190 nan 0.000 0.455 538 K N 0.944 121.330 120.400 -0.023 0.000 2.026 538 K HA -0.207 4.110 4.320 -0.006 0.000 0.208 538 K C 2.320 178.899 176.600 -0.036 0.000 1.048 538 K CA 2.202 58.482 56.287 -0.012 0.000 0.929 538 K CB -0.732 31.773 32.500 0.009 0.000 0.713 538 K HN 0.557 nan 8.250 nan 0.000 0.439 539 Q N 1.057 120.828 119.800 -0.049 0.000 2.124 539 Q HA -0.124 4.212 4.340 -0.006 0.000 0.202 539 Q C 1.670 177.654 176.000 -0.027 0.000 0.977 539 Q CA 1.989 57.754 55.803 -0.063 0.000 0.850 539 Q CB -0.107 28.597 28.738 -0.057 0.000 0.901 539 Q HN 0.528 nan 8.270 nan 0.000 0.429 540 E N -0.509 119.687 120.200 -0.008 0.000 2.077 540 E HA -0.156 4.191 4.350 -0.006 0.000 0.193 540 E C 1.769 178.395 176.600 0.044 0.000 0.989 540 E CA 0.993 57.404 56.400 0.017 0.000 0.800 540 E CB -0.084 29.624 29.700 0.012 0.000 0.746 540 E HN 0.422 nan 8.360 nan 0.000 0.452 541 N N 1.019 119.742 118.700 0.039 0.000 2.166 541 N HA -0.136 4.601 4.740 -0.006 0.000 0.186 541 N C 1.520 177.113 175.510 0.139 0.000 1.019 541 N CA 1.056 54.149 53.050 0.072 0.000 0.856 541 N CB -0.079 38.434 38.487 0.043 0.000 0.993 541 N HN 0.149 nan 8.380 nan 0.000 0.426 542 K N 0.608 121.062 120.400 0.089 0.000 2.057 542 K HA 0.033 4.349 4.320 -0.006 0.000 0.206 542 K C 2.121 178.866 176.600 0.240 0.000 1.050 542 K CA 0.617 56.993 56.287 0.149 0.000 0.935 542 K CB -0.121 32.212 32.500 -0.278 0.000 0.715 542 K HN 0.108 nan 8.250 nan 0.000 0.439 543 L N 1.108 122.408 121.223 0.128 0.000 2.046 543 L HA -0.175 4.162 4.340 -0.006 0.000 0.208 543 L C 2.626 179.595 176.870 0.166 0.000 1.077 543 L CA 1.013 55.931 54.840 0.131 0.000 0.747 543 L CB -0.373 41.732 42.059 0.078 0.000 0.896 543 L HN 0.115 nan 8.230 nan 0.000 0.432 544 K N 0.161 120.662 120.400 0.169 0.000 2.032 544 K HA -0.229 4.087 4.320 -0.006 0.000 0.209 544 K C 2.154 178.910 176.600 0.260 0.000 1.048 544 K CA 1.805 58.200 56.287 0.180 0.000 0.927 544 K CB -0.432 32.160 32.500 0.153 0.000 0.712 544 K HN 0.124 nan 8.250 nan 0.000 0.441 545 F N 1.141 121.184 119.950 0.154 0.000 2.206 545 F HA -0.044 4.479 4.527 -0.006 0.000 0.298 545 F C 2.073 178.010 175.800 0.229 0.000 1.090 545 F CA 1.185 59.292 58.000 0.179 0.000 1.323 545 F CB -0.471 38.634 39.000 0.174 0.000 1.028 545 F HN 0.064 nan 8.300 nan 0.000 0.492 546 A N 0.131 123.091 122.820 0.233 0.000 1.972 546 A HA -0.052 4.265 4.320 -0.006 0.000 0.219 546 A C 2.387 179.996 177.584 0.041 0.000 1.169 546 A CA 1.735 53.835 52.037 0.105 0.000 0.635 546 A CB -1.402 17.720 19.000 0.203 0.000 0.810 546 A HN 0.448 nan 8.150 nan 0.000 0.446 547 A N -1.342 121.533 122.820 0.092 0.000 1.854 547 A HA -0.035 4.281 4.320 -0.006 0.000 0.214 547 A C 2.122 179.734 177.584 0.048 0.000 1.192 547 A CA 1.478 53.562 52.037 0.079 0.000 0.611 547 A CB -0.915 18.143 19.000 0.098 0.000 0.832 547 A HN 0.758 nan 8.150 nan 0.000 0.442 548 Y N 0.088 120.346 120.300 -0.069 0.000 2.193 548 Y HA -0.210 4.337 4.550 -0.006 0.000 0.285 548 Y C 1.877 177.691 175.900 -0.143 0.000 1.166 548 Y CA 1.758 59.801 58.100 -0.096 0.000 1.181 548 Y CB -0.335 38.084 38.460 -0.069 0.000 0.976 548 Y HN 0.202 nan 8.280 nan 0.000 0.520 549 L N 0.777 121.950 121.223 -0.084 0.000 2.083 549 L HA -0.194 4.143 4.340 -0.006 0.000 0.209 549 L C 2.186 179.022 176.870 -0.056 0.000 1.083 549 L CA 2.028 56.813 54.840 -0.093 0.000 0.752 549 L CB -0.711 41.217 42.059 -0.218 0.000 0.899 549 L HN 0.345 nan 8.230 nan 0.000 0.433 550 E N -1.588 118.577 120.200 -0.058 0.000 2.170 550 E HA -0.109 4.238 4.350 -0.006 0.000 0.191 550 E C 2.241 178.785 176.600 -0.093 0.000 0.981 550 E CA 0.285 56.670 56.400 -0.024 0.000 0.830 550 E CB 0.061 29.784 29.700 0.037 0.000 0.775 550 E HN 0.430 nan 8.360 nan 0.000 0.470 551 R N 0.990 121.393 120.500 -0.161 0.000 2.088 551 R HA -0.149 4.187 4.340 -0.006 0.000 0.232 551 R C 1.942 178.050 176.300 -0.320 0.000 1.136 551 R CA 1.479 57.454 56.100 -0.208 0.000 0.926 551 R CB -0.107 30.064 30.300 -0.214 0.000 0.837 551 R HN -0.018 nan 8.270 nan 0.000 0.429 552 E N -1.369 118.475 120.200 -0.592 0.000 2.442 552 E HA -0.041 4.306 4.350 -0.006 0.000 0.195 552 E C 0.583 176.658 176.600 -0.876 0.000 1.030 552 E CA 0.766 56.688 56.400 -0.796 0.000 0.869 552 E CB 0.387 29.370 29.700 -1.194 0.000 0.857 552 E HN 0.378 nan 8.360 nan 0.000 0.505 553 Y N -0.174 120.010 120.300 -0.193 0.000 2.494 553 Y HA 0.271 4.817 4.550 -0.006 0.000 0.271 553 Y C -0.280 175.587 175.900 -0.055 0.000 1.113 553 Y CA -0.481 57.563 58.100 -0.094 0.000 1.240 553 Y CB 0.746 39.161 38.460 -0.076 0.000 1.268 553 Y HN -0.338 nan 8.280 nan 0.000 0.510 554 K N 0.933 121.364 120.400 0.052 0.000 6.357 554 K HA -0.093 4.224 4.320 -0.006 0.000 0.664 554 K C -0.082 176.559 176.600 0.069 0.000 1.803 554 K CA 0.988 57.301 56.287 0.044 0.000 1.595 554 K CB -1.496 31.020 32.500 0.026 0.000 1.816 554 K HN 0.425 nan 8.250 nan 0.000 0.323 555 V N -2.844 117.113 119.914 0.072 0.000 4.480 555 V HA 0.010 4.126 4.120 -0.006 0.000 0.385 555 V C 0.100 176.261 176.094 0.112 0.000 1.851 555 V CA 0.516 62.859 62.300 0.073 0.000 1.759 555 V CB -0.811 31.041 31.823 0.047 0.000 1.048 555 V HN 1.028 nan 8.190 nan 0.000 0.373 556 H N 1.545 120.608 119.070 -0.012 0.000 4.217 556 H HA -0.085 4.468 4.556 -0.006 0.000 0.252 556 H C -0.616 174.703 175.328 -0.015 0.000 0.576 556 H CA 1.150 57.192 56.048 -0.009 0.000 0.700 556 H CB -0.169 29.591 29.762 -0.002 0.000 1.103 556 H HN 1.163 nan 8.280 nan 0.000 0.295 557 I N 0.064 120.189 120.570 -0.741 0.000 3.093 557 I HA 0.395 4.561 4.170 -0.006 0.000 0.308 557 I C -0.779 175.033 176.117 -0.508 0.000 1.303 557 I CA -1.205 59.818 61.300 -0.462 0.000 0.975 557 I CB 2.181 40.041 38.000 -0.234 0.000 1.286 557 I HN 0.652 nan 8.210 nan 0.000 0.459 558 N N 3.826 122.425 118.700 -0.167 0.000 2.437 558 N HA 0.458 5.194 4.740 -0.006 0.000 0.243 558 N C -2.086 173.503 175.510 0.132 0.000 1.041 558 N CA -2.282 50.755 53.050 -0.022 0.000 0.940 558 N CB 1.233 39.732 38.487 0.021 0.000 1.133 558 N HN 0.344 nan 8.380 nan 0.000 0.506 559 P HA -0.056 nan 4.420 nan 0.000 0.223 559 P C 0.039 177.304 177.300 -0.057 0.000 1.144 559 P CA 1.193 64.343 63.100 0.085 0.000 0.783 559 P CB 0.158 31.899 31.700 0.067 0.000 0.771 560 N N -1.259 117.443 118.700 0.004 0.000 2.424 560 N HA -0.002 4.734 4.740 -0.006 0.000 0.178 560 N C 0.565 176.083 175.510 0.014 0.000 1.060 560 N CA -0.082 52.964 53.050 -0.007 0.000 0.901 560 N CB 0.030 38.532 38.487 0.025 0.000 0.979 560 N HN 0.196 nan 8.380 nan 0.000 0.451 561 S N 0.520 116.239 115.700 0.031 0.000 2.608 561 S HA 0.167 4.633 4.470 -0.006 0.000 0.261 561 S C 0.042 174.582 174.600 -0.101 0.000 1.314 561 S CA -0.814 57.392 58.200 0.010 0.000 0.992 561 S CB 1.088 64.327 63.200 0.065 0.000 0.935 561 S HN 0.172 nan 8.310 nan 0.000 0.564 562 L N 1.849 122.870 121.223 -0.336 0.000 2.360 562 L HA 0.384 4.720 4.340 -0.006 0.000 0.276 562 L C -0.880 175.954 176.870 -0.059 0.000 1.121 562 L CA -0.586 53.863 54.840 -0.651 0.000 0.845 562 L CB -0.145 41.241 42.059 -1.122 0.000 1.143 562 L HN 0.707 nan 8.230 nan 0.000 0.452 563 F N 4.219 124.029 119.950 -0.234 0.000 2.405 563 F HA 0.098 4.622 4.527 -0.005 0.000 0.358 563 F C 0.419 176.150 175.800 -0.116 0.000 1.151 563 F CA -0.836 57.097 58.000 -0.113 0.000 1.161 563 F CB 0.557 39.540 39.000 -0.027 0.000 1.245 563 F HN 0.526 nan 8.300 nan 0.000 0.545 564 D N 4.938 125.344 120.400 0.009 0.000 2.396 564 D HA 0.245 4.882 4.640 -0.006 0.000 0.225 564 D C -0.971 175.274 176.300 -0.091 0.000 1.121 564 D CA -0.060 53.900 54.000 -0.066 0.000 0.853 564 D CB 1.312 42.056 40.800 -0.093 0.000 1.043 564 D HN 0.269 nan 8.370 nan 0.000 0.500 565 V N 2.438 122.283 119.914 -0.115 0.000 2.735 565 V HA 0.604 4.720 4.120 -0.006 0.000 0.310 565 V C -1.337 174.616 176.094 -0.235 0.000 1.061 565 V CA -0.704 61.510 62.300 -0.143 0.000 0.913 565 V CB 1.939 33.734 31.823 -0.047 0.000 1.005 565 V HN 0.512 nan 8.190 nan 0.000 0.428 566 Q N 4.100 123.773 119.800 -0.212 0.000 2.397 566 Q HA 0.647 4.983 4.340 -0.006 0.000 0.260 566 Q C -1.496 174.340 176.000 -0.273 0.000 1.002 566 Q CA -0.618 55.045 55.803 -0.234 0.000 0.716 566 Q CB 1.870 30.498 28.738 -0.184 0.000 1.258 566 Q HN 1.192 nan 8.270 nan 0.000 0.477 567 V N 1.856 121.593 119.914 -0.294 0.000 2.444 567 V HA 0.866 4.983 4.120 -0.006 0.000 0.294 567 V C -0.861 174.952 176.094 -0.469 0.000 1.022 567 V CA -0.531 61.406 62.300 -0.605 0.000 0.850 567 V CB 1.267 32.488 31.823 -1.003 0.000 0.992 567 V HN 0.789 nan 8.190 nan 0.000 0.426 568 K N 2.614 122.788 120.400 -0.377 0.000 2.931 568 K HA 0.401 4.718 4.320 -0.006 0.000 0.292 568 K C -1.282 175.312 176.600 -0.010 0.000 1.077 568 K CA -1.100 55.144 56.287 -0.071 0.000 0.829 568 K CB 0.977 33.427 32.500 -0.082 0.000 1.488 568 K HN 0.478 nan 8.250 nan 0.000 0.358 569 R N 0.871 121.417 120.500 0.077 0.000 2.698 569 R HA 0.158 4.494 4.340 -0.006 0.000 0.266 569 R C 0.385 176.706 176.300 0.035 0.000 1.026 569 R CA -0.285 55.874 56.100 0.097 0.000 1.102 569 R CB -0.147 30.232 30.300 0.133 0.000 0.978 569 R HN 0.466 nan 8.270 nan 0.000 0.436 570 I N 3.428 124.034 120.570 0.060 0.000 2.436 570 I HA 0.110 4.277 4.170 -0.006 0.000 0.289 570 I C 0.426 176.540 176.117 -0.005 0.000 1.083 570 I CA 0.282 61.575 61.300 -0.013 0.000 1.372 570 I CB -0.309 37.673 38.000 -0.030 0.000 1.408 570 I HN 0.522 nan 8.210 nan 0.000 0.516 571 H N 3.480 122.450 119.070 -0.166 0.000 3.046 571 H HA 0.240 4.792 4.556 -0.006 0.000 0.363 571 H C 0.601 175.802 175.328 -0.210 0.000 1.203 571 H CA -0.431 55.562 56.048 -0.092 0.000 1.169 571 H CB 1.847 31.543 29.762 -0.111 0.000 1.851 571 H HN 0.572 nan 8.280 nan 0.000 0.546 572 E N 1.883 122.013 120.200 -0.117 0.000 2.160 572 E HA -0.259 4.087 4.350 -0.006 0.000 0.195 572 E C 1.129 177.530 176.600 -0.332 0.000 0.991 572 E CA 1.561 57.921 56.400 -0.066 0.000 0.810 572 E CB -0.040 29.777 29.700 0.195 0.000 0.742 572 E HN 0.649 nan 8.360 nan 0.000 0.466 573 Y N 0.931 120.866 120.300 -0.609 0.000 2.352 573 Y HA -0.003 4.543 4.550 -0.006 0.000 0.292 573 Y C 1.491 177.150 175.900 -0.402 0.000 1.136 573 Y CA 0.803 58.260 58.100 -1.071 0.000 1.227 573 Y CB -0.109 37.746 38.460 -1.008 0.000 0.991 573 Y HN -0.211 nan 8.280 nan 0.000 0.545 574 K N 0.666 120.639 120.400 -0.711 0.000 2.432 574 K HA 0.070 4.386 4.320 -0.006 0.000 0.196 574 K C 0.144 176.587 176.600 -0.262 0.000 1.038 574 K CA 0.571 56.544 56.287 -0.523 0.000 0.986 574 K CB -0.037 32.133 32.500 -0.550 0.000 0.782 574 K HN 0.242 nan 8.250 nan 0.000 0.485 575 R N 0.253 120.625 120.500 -0.212 0.000 3.423 575 R HA -0.220 4.117 4.340 -0.006 0.000 0.271 575 R C 0.352 176.577 176.300 -0.125 0.000 1.093 575 R CA 0.172 56.194 56.100 -0.130 0.000 0.730 575 R CB -1.983 28.256 30.300 -0.103 0.000 1.190 575 R HN 0.230 nan 8.270 nan 0.000 0.437 576 Q N 0.286 120.009 119.800 -0.129 0.000 2.297 576 Q HA -0.050 4.287 4.340 -0.006 0.000 0.208 576 Q C 1.871 177.822 176.000 -0.082 0.000 0.981 576 Q CA 1.403 57.142 55.803 -0.106 0.000 0.876 576 Q CB 0.036 28.715 28.738 -0.099 0.000 0.921 576 Q HN 0.596 nan 8.270 nan 0.000 0.446 577 L N -0.639 120.538 121.223 -0.075 0.000 2.141 577 L HA -0.168 4.168 4.340 -0.006 0.000 0.209 577 L C 1.966 178.836 176.870 0.001 0.000 1.094 577 L CA 0.499 55.309 54.840 -0.049 0.000 0.763 577 L CB -0.301 41.739 42.059 -0.031 0.000 0.908 577 L HN 0.311 nan 8.230 nan 0.000 0.437 578 L N -0.053 121.161 121.223 -0.015 0.000 2.093 578 L HA -0.219 4.118 4.340 -0.006 0.000 0.208 578 L C 2.000 178.910 176.870 0.068 0.000 1.085 578 L CA 1.837 56.678 54.840 0.001 0.000 0.755 578 L CB -0.789 41.161 42.059 -0.181 0.000 0.904 578 L HN 0.275 nan 8.230 nan 0.000 0.435 579 N N -1.634 117.075 118.700 0.015 0.000 2.084 579 N HA -0.235 4.501 4.740 -0.006 0.000 0.190 579 N C 1.943 177.533 175.510 0.132 0.000 1.030 579 N CA 1.660 54.795 53.050 0.141 0.000 0.849 579 N CB -0.148 38.358 38.487 0.031 0.000 1.012 579 N HN 0.488 nan 8.380 nan 0.000 0.423 580 C N 0.614 119.927 119.300 0.022 0.000 2.413 580 C HA -0.085 4.371 4.460 -0.006 0.000 0.276 580 C C 2.593 177.574 174.990 -0.014 0.000 1.248 580 C CA 0.405 59.391 59.018 -0.054 0.000 1.742 580 C CB -1.281 26.375 27.740 -0.140 0.000 2.017 580 C HN 0.511 nan 8.230 nan 0.000 0.481 581 L N -0.421 120.855 121.223 0.088 0.000 2.083 581 L HA -0.194 4.142 4.340 -0.006 0.000 0.209 581 L C 2.752 179.773 176.870 0.252 0.000 1.083 581 L CA 1.749 56.688 54.840 0.166 0.000 0.752 581 L CB -1.011 41.218 42.059 0.284 0.000 0.899 581 L HN 0.595 nan 8.230 nan 0.000 0.433 582 H N -0.110 119.069 119.070 0.181 0.000 2.326 582 H HA -0.126 4.426 4.556 -0.006 0.000 0.301 582 H C 2.242 177.564 175.328 -0.011 0.000 1.081 582 H CA 1.801 57.879 56.048 0.050 0.000 1.334 582 H CB 0.349 30.081 29.762 -0.049 0.000 1.385 582 H HN 0.088 nan 8.280 nan 0.000 0.504 583 V N 1.679 121.515 119.914 -0.130 0.000 2.287 583 V HA -0.285 3.831 4.120 -0.006 0.000 0.248 583 V C 2.818 178.839 176.094 -0.121 0.000 1.053 583 V CA 1.951 64.136 62.300 -0.192 0.000 1.027 583 V CB -0.521 31.234 31.823 -0.113 0.000 0.646 583 V HN 0.404 nan 8.190 nan 0.000 0.447 584 I N -0.218 120.313 120.570 -0.064 0.000 2.394 584 I HA -0.209 3.957 4.170 -0.006 0.000 0.251 584 I C 2.478 178.636 176.117 0.067 0.000 1.136 584 I CA 1.629 62.952 61.300 0.038 0.000 1.425 584 I CB -0.688 37.312 38.000 -0.001 0.000 1.079 584 I HN 0.325 nan 8.210 nan 0.000 0.425 585 T N 1.224 115.779 114.554 0.002 0.000 2.746 585 T HA -0.132 4.215 4.350 -0.006 0.000 0.267 585 T C 1.878 176.526 174.700 -0.086 0.000 1.039 585 T CA 1.186 63.282 62.100 -0.006 0.000 1.142 585 T CB -0.208 68.685 68.868 0.041 0.000 0.866 585 T HN 0.081 nan 8.240 nan 0.000 0.444 586 L N 0.099 121.203 121.223 -0.198 0.000 2.046 586 L HA -0.013 4.323 4.340 -0.006 0.000 0.208 586 L C 2.104 178.929 176.870 -0.074 0.000 1.077 586 L CA 1.592 56.312 54.840 -0.201 0.000 0.747 586 L CB -0.990 40.879 42.059 -0.316 0.000 0.896 586 L HN 0.359 nan 8.230 nan 0.000 0.432 587 Y N 0.149 120.379 120.300 -0.116 0.000 2.181 587 Y HA -0.270 4.277 4.550 -0.006 0.000 0.288 587 Y C 2.421 178.294 175.900 -0.045 0.000 1.146 587 Y CA 1.745 59.815 58.100 -0.051 0.000 1.164 587 Y CB -0.086 38.385 38.460 0.018 0.000 0.982 587 Y HN 0.269 nan 8.280 nan 0.000 0.515 588 N N 0.456 119.111 118.700 -0.075 0.000 2.188 588 N HA -0.133 4.604 4.740 -0.006 0.000 0.184 588 N C 1.803 177.202 175.510 -0.184 0.000 1.018 588 N CA 1.433 54.379 53.050 -0.174 0.000 0.858 588 N CB -0.336 38.106 38.487 -0.075 0.000 0.989 588 N HN 0.447 nan 8.380 nan 0.000 0.426 589 R N 0.351 120.768 120.500 -0.139 0.000 2.092 589 R HA 0.095 4.431 4.340 -0.006 0.000 0.231 589 R C 2.179 178.393 176.300 -0.143 0.000 1.119 589 R CA 0.669 56.696 56.100 -0.123 0.000 0.970 589 R CB -0.175 30.062 30.300 -0.105 0.000 0.864 589 R HN 0.249 nan 8.270 nan 0.000 0.440 590 I N 0.918 121.380 120.570 -0.179 0.000 2.202 590 I HA -0.251 3.915 4.170 -0.006 0.000 0.242 590 I C 2.054 178.053 176.117 -0.197 0.000 1.091 590 I CA 1.142 62.337 61.300 -0.174 0.000 1.368 590 I CB -0.194 37.702 38.000 -0.172 0.000 1.058 590 I HN 0.022 nan 8.210 nan 0.000 0.410 591 K N 0.895 121.113 120.400 -0.304 0.000 2.147 591 K HA -0.209 4.107 4.320 -0.006 0.000 0.205 591 K C 2.023 178.526 176.600 -0.162 0.000 1.049 591 K CA 1.142 57.266 56.287 -0.272 0.000 0.936 591 K CB -0.289 31.974 32.500 -0.395 0.000 0.722 591 K HN 0.142 nan 8.250 nan 0.000 0.446 592 K N 1.676 121.988 120.400 -0.146 0.000 2.062 592 K HA -0.070 4.247 4.320 -0.006 0.000 0.205 592 K C 0.083 176.638 176.600 -0.075 0.000 1.051 592 K CA 1.260 57.487 56.287 -0.099 0.000 0.941 592 K CB 0.338 32.783 32.500 -0.091 0.000 0.719 592 K HN 0.066 nan 8.250 nan 0.000 0.440 593 E N 0.064 120.217 120.200 -0.078 0.000 3.132 593 E HA 0.163 4.510 4.350 -0.006 0.000 0.241 593 E C -2.328 174.239 176.600 -0.056 0.000 1.196 593 E CA -1.599 54.768 56.400 -0.055 0.000 0.869 593 E CB 1.601 31.274 29.700 -0.044 0.000 1.387 593 E HN 0.073 nan 8.360 nan 0.000 0.393 594 P HA -0.174 nan 4.420 nan 0.000 0.216 594 P C 0.260 177.546 177.300 -0.023 0.000 1.153 594 P CA 1.290 64.361 63.100 -0.048 0.000 0.858 594 P CB 0.171 31.846 31.700 -0.041 0.000 0.789 595 N N -1.201 117.494 118.700 -0.009 0.000 2.322 595 N HA 0.010 4.747 4.740 -0.006 0.000 0.216 595 N C 0.437 175.966 175.510 0.032 0.000 1.144 595 N CA 0.011 53.069 53.050 0.013 0.000 0.830 595 N CB -0.055 38.438 38.487 0.011 0.000 1.034 595 N HN 0.033 nan 8.380 nan 0.000 0.484 596 K N 1.067 121.479 120.400 0.021 0.000 2.130 596 K HA 0.168 4.484 4.320 -0.006 0.000 0.268 596 K C -0.973 175.671 176.600 0.072 0.000 0.983 596 K CA -0.589 55.724 56.287 0.042 0.000 0.893 596 K CB 0.672 33.174 32.500 0.004 0.000 1.066 596 K HN -0.053 nan 8.250 nan 0.000 0.450 597 F N 4.375 124.311 119.950 -0.023 0.000 2.443 597 F HA 0.264 4.787 4.527 -0.006 0.000 0.353 597 F C -0.443 175.341 175.800 -0.026 0.000 1.101 597 F CA -0.151 57.836 58.000 -0.022 0.000 1.226 597 F CB 0.690 39.680 39.000 -0.017 0.000 1.140 597 F HN 0.189 nan 8.300 nan 0.000 0.557 598 V N 4.049 123.354 119.914 -1.015 0.000 2.888 598 V HA 0.511 4.627 4.120 -0.006 0.000 0.309 598 V C -0.850 174.644 176.094 -0.999 0.000 1.114 598 V CA -1.234 60.614 62.300 -0.754 0.000 0.940 598 V CB 0.831 32.429 31.823 -0.374 0.000 1.021 598 V HN 0.585 nan 8.190 nan 0.000 0.426 599 V N 4.930 124.485 119.914 -0.598 0.000 2.493 599 V HA 0.166 4.283 4.120 -0.006 0.000 0.292 599 V C -1.781 174.141 176.094 -0.287 0.000 1.016 599 V CA -0.271 61.821 62.300 -0.348 0.000 1.097 599 V CB 0.336 32.079 31.823 -0.133 0.000 0.947 599 V HN 0.895 nan 8.190 nan 0.000 0.479 600 P HA 0.342 nan 4.420 nan 0.000 0.268 600 P C -0.470 176.737 177.300 -0.155 0.000 1.205 600 P CA -0.011 63.003 63.100 -0.143 0.000 0.771 600 P CB 0.519 32.185 31.700 -0.055 0.000 0.858 601 R N 0.740 121.164 120.500 -0.126 0.000 2.668 601 R HA 0.580 4.916 4.340 -0.006 0.000 0.272 601 R C -1.023 175.234 176.300 -0.071 0.000 1.019 601 R CA -0.664 55.362 56.100 -0.123 0.000 0.894 601 R CB 1.902 32.107 30.300 -0.157 0.000 1.228 601 R HN 0.243 nan 8.270 nan 0.000 0.460 602 T N 1.934 116.463 114.554 -0.040 0.000 2.864 602 T HA 0.231 4.577 4.350 -0.006 0.000 0.310 602 T C -0.591 174.030 174.700 -0.132 0.000 1.040 602 T CA -0.614 61.425 62.100 -0.102 0.000 0.977 602 T CB 1.103 69.854 68.868 -0.196 0.000 0.976 602 T HN 0.388 nan 8.240 nan 0.000 0.459 603 V N 4.090 123.932 119.914 -0.121 0.000 2.383 603 V HA 0.715 4.832 4.120 -0.006 0.000 0.275 603 V C -0.490 175.526 176.094 -0.131 0.000 1.036 603 V CA -0.642 61.591 62.300 -0.112 0.000 0.889 603 V CB 0.755 32.529 31.823 -0.082 0.000 0.985 603 V HN 0.846 nan 8.190 nan 0.000 0.459 604 M N 7.077 126.589 119.600 -0.146 0.000 2.243 604 M HA 0.632 5.108 4.480 -0.006 0.000 0.324 604 M C -0.981 175.207 176.300 -0.186 0.000 1.031 604 M CA -0.270 54.933 55.300 -0.162 0.000 0.949 604 M CB 2.120 34.624 32.600 -0.160 0.000 1.615 604 M HN 0.559 nan 8.290 nan 0.000 0.430 605 I N 1.760 122.193 120.570 -0.228 0.000 2.533 605 I HA 0.830 4.997 4.170 -0.006 0.000 0.290 605 I C -0.003 175.758 176.117 -0.593 0.000 1.056 605 I CA -0.632 60.501 61.300 -0.280 0.000 1.057 605 I CB 2.333 40.258 38.000 -0.125 0.000 1.240 605 I HN 0.817 nan 8.210 nan 0.000 0.423 606 G N 2.947 111.373 108.800 -0.625 0.000 2.690 606 G HA2 0.839 4.796 3.960 -0.006 0.000 0.293 606 G HA3 0.839 4.796 3.960 -0.006 0.000 0.293 606 G C -1.036 173.568 174.900 -0.492 0.000 1.399 606 G CA -0.752 43.825 45.100 -0.871 0.000 0.890 606 G HN 0.994 nan 8.290 nan 0.000 0.485 607 G N -0.411 108.267 108.800 -0.203 0.000 2.352 607 G HA2 0.410 4.366 3.960 -0.006 0.000 0.303 607 G HA3 0.410 4.366 3.960 -0.006 0.000 0.303 607 G C -1.247 173.801 174.900 0.246 0.000 1.593 607 G CA -1.021 44.125 45.100 0.077 0.000 0.963 607 G HN 0.608 nan 8.290 nan 0.000 0.685 608 K N -0.138 120.401 120.400 0.233 0.000 2.098 608 K HA 0.772 5.088 4.320 -0.006 0.000 0.258 608 K C 0.240 176.992 176.600 0.253 0.000 0.973 608 K CA -0.208 56.236 56.287 0.262 0.000 0.898 608 K CB 2.051 34.616 32.500 0.108 0.000 1.057 608 K HN 0.884 nan 8.250 nan 0.000 0.447 609 A N 1.224 124.225 122.820 0.302 0.000 2.324 609 A HA 0.649 4.966 4.320 -0.006 0.000 0.330 609 A C -0.535 177.241 177.584 0.319 0.000 1.165 609 A CA -0.765 51.398 52.037 0.210 0.000 0.813 609 A CB 1.104 20.139 19.000 0.059 0.000 1.197 609 A HN 0.766 nan 8.150 nan 0.000 0.484 610 A N 3.414 126.417 122.820 0.304 0.000 2.511 610 A HA 0.469 4.785 4.320 -0.006 0.000 0.242 610 A C -1.380 176.311 177.584 0.178 0.000 1.069 610 A CA -0.778 51.439 52.037 0.299 0.000 0.763 610 A CB -0.400 18.761 19.000 0.269 0.000 1.001 610 A HN 0.603 nan 8.150 nan 0.000 0.498 611 P HA -0.172 nan 4.420 nan 0.000 0.217 611 P C 1.278 178.581 177.300 0.005 0.000 1.151 611 P CA 2.100 65.160 63.100 -0.065 0.000 0.849 611 P CB 0.215 31.823 31.700 -0.154 0.000 0.787 612 G N -3.206 105.626 108.800 0.053 0.000 3.189 612 G HA2 -0.056 3.900 3.960 -0.006 0.000 0.225 612 G HA3 -0.056 3.900 3.960 -0.006 0.000 0.225 612 G C -0.274 174.679 174.900 0.089 0.000 1.159 612 G CA -0.122 45.012 45.100 0.056 0.000 0.763 612 G HN 0.310 nan 8.290 nan 0.000 0.549 613 Y N 1.746 122.005 120.300 -0.069 0.000 2.691 613 Y HA 0.182 4.728 4.550 -0.006 0.000 0.338 613 Y C 1.654 177.534 175.900 -0.032 0.000 1.148 613 Y CA -1.077 56.954 58.100 -0.115 0.000 1.430 613 Y CB 0.092 38.456 38.460 -0.160 0.000 1.303 613 Y HN 0.324 nan 8.280 nan 0.000 0.499 614 H N 3.985 123.150 119.070 0.158 0.000 2.319 614 H HA -0.250 4.303 4.556 -0.006 0.000 0.297 614 H C 1.802 177.131 175.328 0.002 0.000 1.097 614 H CA 2.472 58.560 56.048 0.067 0.000 1.285 614 H CB 0.333 30.134 29.762 0.065 0.000 1.368 614 H HN 0.714 nan 8.280 nan 0.000 0.495 615 M N 1.011 120.565 119.600 -0.075 0.000 2.149 615 M HA -0.086 4.391 4.480 -0.006 0.000 0.261 615 M C 2.559 178.581 176.300 -0.463 0.000 1.064 615 M CA 1.856 57.021 55.300 -0.224 0.000 1.102 615 M CB -0.746 31.849 32.600 -0.009 0.000 1.369 615 M HN 0.351 nan 8.290 nan 0.000 0.408 616 A N -0.466 121.835 122.820 -0.865 0.000 1.933 616 A HA -0.188 4.129 4.320 -0.006 0.000 0.218 616 A C 2.205 179.573 177.584 -0.359 0.000 1.175 616 A CA 1.841 53.421 52.037 -0.761 0.000 0.628 616 A CB -0.631 17.746 19.000 -1.038 0.000 0.814 616 A HN 0.582 nan 8.150 nan 0.000 0.444 617 K N -1.159 119.081 120.400 -0.266 0.000 2.155 617 K HA -0.013 4.303 4.320 -0.006 0.000 0.203 617 K C 1.869 178.406 176.600 -0.105 0.000 1.052 617 K CA 1.096 57.317 56.287 -0.110 0.000 0.948 617 K CB -0.179 32.321 32.500 0.000 0.000 0.728 617 K HN 0.342 nan 8.250 nan 0.000 0.448 618 M N 0.480 119.964 119.600 -0.194 0.000 2.254 618 M HA -0.060 4.416 4.480 -0.006 0.000 0.265 618 M C 2.051 178.279 176.300 -0.121 0.000 1.066 618 M CA 1.346 56.574 55.300 -0.119 0.000 1.123 618 M CB -0.531 31.982 32.600 -0.145 0.000 1.388 618 M HN 0.124 nan 8.290 nan 0.000 0.425 619 I N -0.307 120.155 120.570 -0.180 0.000 2.315 619 I HA -0.281 3.885 4.170 -0.006 0.000 0.248 619 I C 2.269 178.261 176.117 -0.209 0.000 1.117 619 I CA 0.957 62.145 61.300 -0.185 0.000 1.404 619 I CB -0.249 37.638 38.000 -0.188 0.000 1.071 619 I HN 0.169 nan 8.210 nan 0.000 0.419 620 I N 0.701 121.128 120.570 -0.239 0.000 2.226 620 I HA -0.293 3.873 4.170 -0.006 0.000 0.245 620 I C 2.594 178.443 176.117 -0.447 0.000 1.100 620 I CA 1.215 62.288 61.300 -0.378 0.000 1.374 620 I CB -0.273 37.472 38.000 -0.425 0.000 1.057 620 I HN 0.149 nan 8.210 nan 0.000 0.413 621 K N 1.559 121.703 120.400 -0.426 0.000 2.097 621 K HA -0.149 4.168 4.320 -0.006 0.000 0.206 621 K C 2.038 178.486 176.600 -0.254 0.000 1.049 621 K CA 1.453 57.413 56.287 -0.544 0.000 0.933 621 K CB -0.537 31.369 32.500 -0.989 0.000 0.717 621 K HN 0.231 nan 8.250 nan 0.000 0.442 622 L N 0.337 121.438 121.223 -0.203 0.000 2.046 622 L HA -0.162 4.174 4.340 -0.006 0.000 0.208 622 L C 2.161 178.795 176.870 -0.394 0.000 1.077 622 L CA 1.617 56.165 54.840 -0.486 0.000 0.747 622 L CB -0.254 41.440 42.059 -0.609 0.000 0.896 622 L HN 0.266 nan 8.230 nan 0.000 0.432 623 I N -0.224 120.174 120.570 -0.287 0.000 2.179 623 I HA -0.333 3.834 4.170 -0.006 0.000 0.242 623 I C 2.633 178.652 176.117 -0.162 0.000 1.088 623 I CA 1.937 63.122 61.300 -0.193 0.000 1.357 623 I CB -0.638 37.333 38.000 -0.048 0.000 1.051 623 I HN 0.429 nan 8.210 nan 0.000 0.409 624 T N -0.691 113.743 114.554 -0.200 0.000 2.821 624 T HA -0.089 4.258 4.350 -0.006 0.000 0.267 624 T C 1.994 176.635 174.700 -0.099 0.000 1.046 624 T CA 0.966 62.978 62.100 -0.146 0.000 1.139 624 T CB -0.509 68.228 68.868 -0.218 0.000 0.871 624 T HN 0.346 nan 8.240 nan 0.000 0.454 625 A N 1.609 124.364 122.820 -0.108 0.000 1.902 625 A HA 0.109 4.426 4.320 -0.006 0.000 0.217 625 A C 2.404 180.000 177.584 0.021 0.000 1.181 625 A CA 1.380 53.420 52.037 0.005 0.000 0.623 625 A CB -0.848 18.241 19.000 0.149 0.000 0.818 625 A HN 0.596 nan 8.150 nan 0.000 0.443 626 I N -0.379 120.094 120.570 -0.161 0.000 2.179 626 I HA -0.206 3.961 4.170 -0.006 0.000 0.242 626 I C 2.723 178.805 176.117 -0.059 0.000 1.088 626 I CA 1.142 62.318 61.300 -0.206 0.000 1.357 626 I CB -0.671 37.091 38.000 -0.395 0.000 1.051 626 I HN 0.403 nan 8.210 nan 0.000 0.409 627 G N 0.466 109.231 108.800 -0.059 0.000 2.440 627 G HA2 -0.265 3.691 3.960 -0.006 0.000 0.218 627 G HA3 -0.265 3.691 3.960 -0.006 0.000 0.218 627 G C 1.233 176.169 174.900 0.059 0.000 1.154 627 G CA 0.979 46.067 45.100 -0.020 0.000 0.767 627 G HN 0.284 nan 8.290 nan 0.000 0.552 628 D N -0.030 120.425 120.400 0.091 0.000 2.190 628 D HA -0.090 4.546 4.640 -0.006 0.000 0.200 628 D C 2.655 179.072 176.300 0.196 0.000 0.992 628 D CA 0.729 54.825 54.000 0.160 0.000 0.854 628 D CB -0.145 40.686 40.800 0.052 0.000 0.936 628 D HN 0.267 nan 8.370 nan 0.000 0.462 629 V N -0.095 119.886 119.914 0.111 0.000 2.374 629 V HA -0.113 4.003 4.120 -0.006 0.000 0.241 629 V C 2.554 178.640 176.094 -0.013 0.000 1.034 629 V CA 0.629 62.950 62.300 0.037 0.000 1.037 629 V CB -0.201 31.636 31.823 0.022 0.000 0.682 629 V HN 0.019 nan 8.190 nan 0.000 0.463 630 V N 1.050 120.893 119.914 -0.118 0.000 2.295 630 V HA -0.212 3.905 4.120 -0.006 0.000 0.246 630 V C 2.145 178.233 176.094 -0.009 0.000 1.049 630 V CA 2.064 64.279 62.300 -0.140 0.000 1.024 630 V CB -0.876 30.851 31.823 -0.160 0.000 0.648 630 V HN 0.567 nan 8.190 nan 0.000 0.447 631 N N -0.298 118.369 118.700 -0.055 0.000 2.520 631 N HA -0.094 4.642 4.740 -0.006 0.000 0.185 631 N C 1.137 176.426 175.510 -0.369 0.000 1.068 631 N CA 0.892 53.821 53.050 -0.202 0.000 0.911 631 N CB -0.278 38.036 38.487 -0.289 0.000 0.961 631 N HN 0.679 nan 8.380 nan 0.000 0.446 632 H N -1.438 117.646 119.070 0.023 0.000 2.674 632 H HA 0.204 4.756 4.556 -0.006 0.000 0.274 632 H C -0.532 174.824 175.328 0.046 0.000 1.121 632 H CA -0.501 55.563 56.048 0.027 0.000 1.132 632 H CB 0.541 30.309 29.762 0.010 0.000 1.606 632 H HN -0.006 nan 8.280 nan 0.000 0.558 633 D N 1.601 122.090 120.400 0.149 0.000 2.339 633 D HA 0.050 4.686 4.640 -0.006 0.000 0.241 633 D C -1.637 174.730 176.300 0.111 0.000 1.183 633 D CA -2.024 52.075 54.000 0.166 0.000 0.859 633 D CB 1.665 42.645 40.800 0.301 0.000 1.067 633 D HN 0.081 nan 8.370 nan 0.000 0.484 634 P HA -0.170 nan 4.420 nan 0.000 0.216 634 P C 1.602 178.929 177.300 0.045 0.000 1.153 634 P CA 0.595 63.728 63.100 0.056 0.000 0.858 634 P CB 0.374 32.101 31.700 0.046 0.000 0.789 635 V N -0.743 119.197 119.914 0.043 0.000 2.490 635 V HA -0.183 3.933 4.120 -0.006 0.000 0.250 635 V C 2.395 178.498 176.094 0.014 0.000 1.061 635 V CA 1.603 63.914 62.300 0.018 0.000 1.064 635 V CB -1.074 30.747 31.823 -0.004 0.000 0.670 635 V HN -0.005 nan 8.190 nan 0.000 0.461 636 V N -0.321 119.619 119.914 0.045 0.000 2.453 636 V HA 0.127 4.243 4.120 -0.006 0.000 0.247 636 V C 1.839 177.949 176.094 0.027 0.000 1.048 636 V CA 1.488 63.814 62.300 0.044 0.000 1.049 636 V CB -1.090 30.807 31.823 0.123 0.000 0.672 636 V HN 0.735 nan 8.190 nan 0.000 0.457 637 G N 1.633 110.453 108.800 0.033 0.000 2.556 637 G HA2 -0.388 3.568 3.960 -0.006 0.000 0.283 637 G HA3 -0.388 3.568 3.960 -0.006 0.000 0.283 637 G C 0.254 175.165 174.900 0.019 0.000 1.177 637 G CA 0.563 45.678 45.100 0.026 0.000 0.978 637 G HN 0.717 nan 8.290 nan 0.000 0.554 638 D N 0.105 120.516 120.400 0.019 0.000 2.463 638 D HA 0.311 4.948 4.640 -0.006 0.000 0.224 638 D C 1.764 178.062 176.300 -0.004 0.000 1.174 638 D CA 0.071 54.080 54.000 0.015 0.000 0.829 638 D CB 0.061 40.883 40.800 0.038 0.000 0.993 638 D HN 0.594 nan 8.370 nan 0.000 0.497 639 R N -0.665 119.825 120.500 -0.017 0.000 2.200 639 R HA 0.288 4.625 4.340 -0.006 0.000 0.208 639 R C -0.105 176.156 176.300 -0.065 0.000 1.033 639 R CA 0.267 56.334 56.100 -0.054 0.000 1.000 639 R CB 0.254 30.509 30.300 -0.075 0.000 0.906 639 R HN 0.135 nan 8.270 nan 0.000 0.462 640 L N 0.562 121.762 121.223 -0.037 0.000 2.543 640 L HA 0.408 4.744 4.340 -0.006 0.000 0.265 640 L C -1.665 175.183 176.870 -0.036 0.000 0.945 640 L CA -0.556 54.260 54.840 -0.041 0.000 0.869 640 L CB 1.767 43.816 42.059 -0.018 0.000 1.294 640 L HN -0.137 nan 8.230 nan 0.000 0.405 641 R N 4.095 124.558 120.500 -0.061 0.000 2.628 641 R HA 0.764 5.101 4.340 -0.006 0.000 0.288 641 R C -1.626 174.622 176.300 -0.087 0.000 0.980 641 R CA -0.829 55.226 56.100 -0.076 0.000 0.891 641 R CB 2.333 32.579 30.300 -0.090 0.000 1.188 641 R HN 0.398 nan 8.270 nan 0.000 0.450 642 V N 4.598 124.462 119.914 -0.082 0.000 2.376 642 V HA 0.444 4.560 4.120 -0.006 0.000 0.287 642 V C -0.429 175.627 176.094 -0.064 0.000 1.015 642 V CA -0.716 61.537 62.300 -0.080 0.000 0.834 642 V CB 1.482 33.257 31.823 -0.081 0.000 1.001 642 V HN 0.519 nan 8.190 nan 0.000 0.428 643 I N 4.896 125.423 120.570 -0.072 0.000 2.509 643 I HA 0.465 4.631 4.170 -0.006 0.000 0.293 643 I C -0.663 175.433 176.117 -0.034 0.000 1.020 643 I CA -0.544 60.724 61.300 -0.053 0.000 1.088 643 I CB 1.865 39.806 38.000 -0.097 0.000 1.267 643 I HN 0.544 nan 8.210 nan 0.000 0.430 644 F N 6.959 126.842 119.950 -0.111 0.000 2.385 644 F HA 0.510 5.033 4.527 -0.006 0.000 0.360 644 F C -0.604 175.126 175.800 -0.117 0.000 1.122 644 F CA -0.755 57.180 58.000 -0.108 0.000 1.090 644 F CB 0.681 39.620 39.000 -0.101 0.000 1.150 644 F HN 0.149 nan 8.300 nan 0.000 0.472 645 L N 6.002 126.823 121.223 -0.670 0.000 2.407 645 L HA 0.142 4.478 4.340 -0.006 0.000 0.282 645 L C 0.361 176.984 176.870 -0.412 0.000 1.110 645 L CA 0.239 54.824 54.840 -0.425 0.000 0.863 645 L CB -0.008 41.887 42.059 -0.273 0.000 1.207 645 L HN 0.614 nan 8.230 nan 0.000 0.454 646 E N 3.236 123.327 120.200 -0.181 0.000 2.373 646 E HA -0.032 4.315 4.350 -0.006 0.000 0.267 646 E C 0.528 177.207 176.600 0.132 0.000 1.032 646 E CA -0.235 56.206 56.400 0.068 0.000 0.889 646 E CB 0.308 30.011 29.700 0.006 0.000 0.984 646 E HN 0.540 nan 8.360 nan 0.000 0.425 647 N N 2.534 121.369 118.700 0.226 0.000 2.725 647 N HA -0.286 4.450 4.740 -0.006 0.000 0.251 647 N C -1.525 174.097 175.510 0.187 0.000 1.031 647 N CA 0.552 53.729 53.050 0.212 0.000 0.720 647 N CB -1.541 37.083 38.487 0.228 0.000 0.930 647 N HN 0.476 nan 8.380 nan 0.000 0.543 648 Y N 1.458 121.782 120.300 0.041 0.000 2.721 648 Y HA 0.153 4.699 4.550 -0.006 0.000 0.329 648 Y C 1.128 177.054 175.900 0.045 0.000 1.211 648 Y CA 0.605 58.713 58.100 0.013 0.000 1.512 648 Y CB 0.289 38.724 38.460 -0.042 0.000 1.249 648 Y HN 0.376 nan 8.280 nan 0.000 0.549 649 R N 2.459 122.646 120.500 -0.520 0.000 2.762 649 R HA 0.481 4.817 4.340 -0.006 0.000 0.271 649 R C -0.305 175.660 176.300 -0.559 0.000 1.038 649 R CA -0.614 55.236 56.100 -0.416 0.000 0.906 649 R CB 0.346 30.586 30.300 -0.101 0.000 1.259 649 R HN 0.344 nan 8.270 nan 0.000 0.457 650 V N 1.070 120.687 119.914 -0.495 0.000 2.252 650 V HA -0.311 3.805 4.120 -0.006 0.000 0.249 650 V C 2.581 178.549 176.094 -0.210 0.000 1.056 650 V CA 2.875 64.951 62.300 -0.373 0.000 1.022 650 V CB -0.886 30.700 31.823 -0.394 0.000 0.641 650 V HN 0.940 nan 8.190 nan 0.000 0.445 651 S N 0.139 115.738 115.700 -0.168 0.000 2.383 651 S HA -0.199 4.267 4.470 -0.006 0.000 0.229 651 S C 1.927 176.477 174.600 -0.082 0.000 1.030 651 S CA 1.766 59.898 58.200 -0.113 0.000 1.002 651 S CB -0.580 62.585 63.200 -0.059 0.000 0.829 651 S HN 0.398 nan 8.310 nan 0.000 0.467 652 L N 1.949 123.130 121.223 -0.071 0.000 2.109 652 L HA 0.322 4.658 4.340 -0.006 0.000 0.207 652 L C 2.660 179.539 176.870 0.014 0.000 1.086 652 L CA 1.350 56.193 54.840 0.005 0.000 0.760 652 L CB -1.297 40.825 42.059 0.105 0.000 0.910 652 L HN 0.349 nan 8.230 nan 0.000 0.437 653 A N -0.614 122.187 122.820 -0.033 0.000 1.908 653 A HA -0.236 4.080 4.320 -0.006 0.000 0.218 653 A C 2.115 179.751 177.584 0.087 0.000 1.181 653 A CA 1.821 53.916 52.037 0.096 0.000 0.627 653 A CB -0.621 18.422 19.000 0.072 0.000 0.818 653 A HN 0.601 nan 8.150 nan 0.000 0.445 654 E N -0.380 119.853 120.200 0.054 0.000 2.265 654 E HA -0.175 4.172 4.350 -0.006 0.000 0.196 654 E C 1.867 178.426 176.600 -0.068 0.000 0.996 654 E CA 1.230 57.618 56.400 -0.020 0.000 0.832 654 E CB -0.066 29.536 29.700 -0.164 0.000 0.756 654 E HN 0.635 nan 8.360 nan 0.000 0.491 655 K N -0.028 120.314 120.400 -0.097 0.000 2.141 655 K HA 0.011 4.328 4.320 -0.006 0.000 0.202 655 K C 2.147 178.542 176.600 -0.342 0.000 1.045 655 K CA 0.670 56.878 56.287 -0.131 0.000 0.971 655 K CB 0.283 32.711 32.500 -0.120 0.000 0.795 655 K HN -0.056 nan 8.250 nan 0.000 0.459 656 V N 1.998 121.624 119.914 -0.479 0.000 2.379 656 V HA -0.183 3.933 4.120 -0.006 0.000 0.245 656 V C 2.215 178.047 176.094 -0.438 0.000 1.044 656 V CA 1.406 63.209 62.300 -0.829 0.000 1.036 656 V CB -0.522 30.987 31.823 -0.523 0.000 0.664 656 V HN 0.236 nan 8.190 nan 0.000 0.453 657 I N 0.497 120.870 120.570 -0.328 0.000 2.163 657 I HA -0.167 3.999 4.170 -0.006 0.000 0.243 657 I C -0.212 175.777 176.117 -0.214 0.000 1.085 657 I CA 1.768 62.806 61.300 -0.436 0.000 1.347 657 I CB -1.525 36.103 38.000 -0.619 0.000 1.044 657 I HN 0.353 nan 8.210 nan 0.000 0.408 658 P HA -0.100 nan 4.420 nan 0.000 0.225 658 P C 0.958 178.249 177.300 -0.015 0.000 1.148 658 P CA 1.196 64.265 63.100 -0.052 0.000 0.779 658 P CB 0.062 31.741 31.700 -0.034 0.000 0.780 659 A N -1.203 121.589 122.820 -0.047 0.000 2.267 659 A HA 0.477 4.793 4.320 -0.006 0.000 0.213 659 A C 1.171 178.863 177.584 0.179 0.000 1.192 659 A CA 0.097 52.168 52.037 0.058 0.000 0.851 659 A CB -0.609 18.427 19.000 0.061 0.000 0.881 659 A HN 0.190 nan 8.150 nan 0.000 0.494 660 A N -0.129 122.788 122.820 0.162 0.000 2.371 660 A HA 0.470 4.787 4.320 -0.006 0.000 0.257 660 A C 0.370 178.105 177.584 0.252 0.000 1.089 660 A CA -0.079 52.121 52.037 0.271 0.000 0.794 660 A CB 0.344 19.596 19.000 0.419 0.000 1.029 660 A HN 0.267 nan 8.150 nan 0.000 0.488 661 D N 0.246 120.793 120.400 0.244 0.000 2.431 661 D HA 0.138 4.775 4.640 -0.006 0.000 0.235 661 D C 0.003 176.516 176.300 0.354 0.000 0.980 661 D CA 0.668 54.858 54.000 0.317 0.000 0.912 661 D CB 0.285 41.178 40.800 0.155 0.000 1.056 661 D HN 0.366 nan 8.370 nan 0.000 0.494 662 L N 1.162 122.480 121.223 0.158 0.000 2.356 662 L HA 0.304 4.640 4.340 -0.006 0.000 0.277 662 L C -0.761 176.000 176.870 -0.182 0.000 0.996 662 L CA -0.304 54.556 54.840 0.033 0.000 0.822 662 L CB 2.052 44.102 42.059 -0.014 0.000 1.256 662 L HN -0.174 nan 8.230 nan 0.000 0.413 663 S N 4.297 119.799 115.700 -0.330 0.000 2.422 663 S HA 0.321 4.788 4.470 -0.006 0.000 0.308 663 S C -0.408 173.917 174.600 -0.457 0.000 1.097 663 S CA -0.690 57.062 58.200 -0.747 0.000 1.099 663 S CB 0.615 63.315 63.200 -0.833 0.000 0.976 663 S HN 0.547 nan 8.310 nan 0.000 0.471 664 E N 4.093 124.036 120.200 -0.428 0.000 2.089 664 E HA 0.217 4.564 4.350 -0.006 0.000 0.284 664 E C -0.551 175.937 176.600 -0.186 0.000 1.023 664 E CA -0.429 55.845 56.400 -0.209 0.000 0.819 664 E CB 1.016 30.623 29.700 -0.154 0.000 1.076 664 E HN 0.597 nan 8.360 nan 0.000 0.396 665 Q N 2.784 122.532 119.800 -0.086 0.000 3.122 665 Q HA 0.262 4.598 4.340 -0.006 0.000 0.282 665 Q C 0.567 176.561 176.000 -0.009 0.000 0.947 665 Q CA -0.121 55.645 55.803 -0.061 0.000 0.812 665 Q CB 0.247 28.961 28.738 -0.040 0.000 1.333 665 Q HN 0.618 nan 8.270 nan 0.000 0.430 666 I N -1.623 118.931 120.570 -0.026 0.000 3.736 666 I HA 0.273 4.439 4.170 -0.006 0.000 0.338 666 I C 0.407 176.484 176.117 -0.066 0.000 1.558 666 I CA -0.652 60.644 61.300 -0.006 0.000 1.147 666 I CB 0.292 38.297 38.000 0.008 0.000 1.275 666 I HN -0.012 nan 8.210 nan 0.000 0.454 667 S N 0.331 115.994 115.700 -0.062 0.000 2.579 667 S HA 0.196 4.662 4.470 -0.006 0.000 0.275 667 S C 0.560 175.152 174.600 -0.014 0.000 1.345 667 S CA -0.319 57.867 58.200 -0.023 0.000 1.031 667 S CB 0.418 63.659 63.200 0.067 0.000 0.892 667 S HN 0.390 nan 8.310 nan 0.000 0.529 668 T N 2.615 117.194 114.554 0.042 0.000 2.902 668 T HA 0.397 4.744 4.350 -0.006 0.000 0.301 668 T C 0.738 175.451 174.700 0.021 0.000 1.012 668 T CA 0.212 62.340 62.100 0.046 0.000 1.151 668 T CB 0.053 69.022 68.868 0.169 0.000 0.946 668 T HN 0.998 nan 8.240 nan 0.000 0.542 669 A N 2.713 125.514 122.820 -0.031 0.000 2.580 669 A HA 0.441 4.757 4.320 -0.006 0.000 0.244 669 A C 1.642 179.218 177.584 -0.013 0.000 1.045 669 A CA 0.332 52.345 52.037 -0.040 0.000 0.761 669 A CB -0.916 18.048 19.000 -0.059 0.000 0.962 669 A HN 1.706 nan 8.150 nan 0.000 0.512 670 G N 1.419 110.209 108.800 -0.017 0.000 2.176 670 G HA2 -0.240 3.717 3.960 -0.006 0.000 0.232 670 G HA3 -0.240 3.717 3.960 -0.006 0.000 0.232 670 G C 0.852 175.734 174.900 -0.030 0.000 0.986 670 G CA 1.127 46.218 45.100 -0.015 0.000 0.643 670 G HN 1.998 nan 8.290 nan 0.000 0.522 671 T N -2.574 111.955 114.554 -0.041 0.000 3.018 671 T HA 0.410 4.756 4.350 -0.006 0.000 0.246 671 T C 0.742 175.253 174.700 -0.314 0.000 1.026 671 T CA 1.041 63.038 62.100 -0.172 0.000 1.081 671 T CB 0.561 69.362 68.868 -0.111 0.000 0.970 671 T HN 0.265 nan 8.240 nan 0.000 0.475 672 E N 1.569 121.723 120.200 -0.076 0.000 2.052 672 E HA 0.666 5.012 4.350 -0.006 0.000 0.283 672 E C 1.183 177.720 176.600 -0.105 0.000 1.071 672 E CA 0.062 56.464 56.400 0.002 0.000 0.851 672 E CB 0.758 30.532 29.700 0.123 0.000 1.066 672 E HN 0.345 nan 8.360 nan 0.000 0.396 673 A N 3.420 126.097 122.820 -0.238 0.000 1.903 673 A HA -0.250 4.066 4.320 -0.006 0.000 0.219 673 A C 1.981 179.432 177.584 -0.220 0.000 1.191 673 A CA 2.414 54.171 52.037 -0.467 0.000 0.638 673 A CB -0.316 18.185 19.000 -0.831 0.000 0.823 673 A HN 0.612 nan 8.150 nan 0.000 0.451 674 S N -4.095 111.537 115.700 -0.114 0.000 3.984 674 S HA 0.456 4.922 4.470 -0.006 0.000 0.221 674 S C 0.655 175.243 174.600 -0.020 0.000 1.149 674 S CA 1.384 59.565 58.200 -0.032 0.000 0.950 674 S CB -0.067 63.139 63.200 0.011 0.000 1.216 674 S HN 2.328 nan 8.310 nan 0.000 0.547 675 G N 0.289 109.083 108.800 -0.010 0.000 2.719 675 G HA2 -0.011 3.946 3.960 -0.006 0.000 0.686 675 G HA3 -0.011 3.946 3.960 -0.006 0.000 0.686 675 G C 0.225 175.108 174.900 -0.029 0.000 1.201 675 G CA 0.450 45.542 45.100 -0.012 0.000 0.768 675 G HN 1.341 nan 8.290 nan 0.000 0.629 676 T N -2.025 112.498 114.554 -0.050 0.000 3.051 676 T HA 0.371 4.718 4.350 -0.006 0.000 0.254 676 T C 2.367 176.974 174.700 -0.155 0.000 0.916 676 T CA 1.264 63.307 62.100 -0.095 0.000 0.894 676 T CB 0.281 69.084 68.868 -0.108 0.000 1.251 676 T HN 1.902 nan 8.240 nan 0.000 0.517 677 G N 3.056 111.791 108.800 -0.108 0.000 2.450 677 G HA2 -0.253 3.704 3.960 -0.006 0.000 0.220 677 G HA3 -0.253 3.704 3.960 -0.006 0.000 0.220 677 G C 1.450 176.407 174.900 0.095 0.000 1.130 677 G CA 1.150 46.206 45.100 -0.073 0.000 0.760 677 G HN 0.838 nan 8.290 nan 0.000 0.557 678 N N 0.096 118.830 118.700 0.056 0.000 2.149 678 N HA -0.138 4.598 4.740 -0.006 0.000 0.188 678 N C 2.204 177.729 175.510 0.025 0.000 1.019 678 N CA 1.277 54.366 53.050 0.065 0.000 0.857 678 N CB -0.349 38.126 38.487 -0.019 0.000 0.997 678 N HN 0.342 nan 8.380 nan 0.000 0.426 679 M N 0.825 120.373 119.600 -0.087 0.000 2.175 679 M HA -0.029 4.447 4.480 -0.006 0.000 0.264 679 M C 2.019 178.284 176.300 -0.059 0.000 1.063 679 M CA 1.441 56.673 55.300 -0.113 0.000 1.119 679 M CB -0.095 32.444 32.600 -0.101 0.000 1.377 679 M HN 0.098 nan 8.290 nan 0.000 0.415 680 K N 0.083 120.379 120.400 -0.173 0.000 2.063 680 K HA -0.136 4.180 4.320 -0.006 0.000 0.208 680 K C 1.710 178.202 176.600 -0.181 0.000 1.048 680 K CA 1.473 57.593 56.287 -0.279 0.000 0.928 680 K CB -0.323 31.792 32.500 -0.642 0.000 0.713 680 K HN 0.158 nan 8.250 nan 0.000 0.442 681 F N 1.028 120.918 119.950 -0.100 0.000 2.146 681 F HA -0.119 4.404 4.527 -0.007 0.000 0.298 681 F C 2.588 178.368 175.800 -0.033 0.000 1.096 681 F CA 1.195 59.159 58.000 -0.061 0.000 1.275 681 F CB -0.311 38.642 39.000 -0.079 0.000 1.008 681 F HN -0.005 nan 8.300 nan 0.000 0.480 682 M N -0.398 119.296 119.600 0.157 0.000 2.117 682 M HA -0.202 4.274 4.480 -0.006 0.000 0.262 682 M C 2.106 178.466 176.300 0.099 0.000 1.065 682 M CA 1.618 56.980 55.300 0.104 0.000 1.114 682 M CB -0.255 32.403 32.600 0.097 0.000 1.361 682 M HN 0.260 nan 8.290 nan 0.000 0.408 683 L N 0.852 122.132 121.223 0.095 0.000 2.275 683 L HA -0.080 4.256 4.340 -0.006 0.000 0.215 683 L C 1.297 178.216 176.870 0.082 0.000 1.119 683 L CA 1.607 56.508 54.840 0.102 0.000 0.790 683 L CB -0.618 41.512 42.059 0.119 0.000 0.919 683 L HN 0.359 nan 8.230 nan 0.000 0.443 684 N N -0.083 118.655 118.700 0.063 0.000 2.251 684 N HA 0.167 4.904 4.740 -0.006 0.000 0.217 684 N C 0.841 176.388 175.510 0.061 0.000 1.124 684 N CA 0.786 53.865 53.050 0.050 0.000 0.843 684 N CB 0.485 38.978 38.487 0.010 0.000 1.024 684 N HN 0.413 nan 8.380 nan 0.000 0.501 685 G N 0.466 109.307 108.800 0.068 0.000 2.142 685 G HA2 -0.193 3.763 3.960 -0.006 0.000 0.225 685 G HA3 -0.193 3.763 3.960 -0.006 0.000 0.225 685 G C -0.047 174.920 174.900 0.113 0.000 1.015 685 G CA 0.148 45.288 45.100 0.068 0.000 0.716 685 G HN 0.526 nan 8.290 nan 0.000 0.508 686 A N -0.547 122.349 122.820 0.126 0.000 2.340 686 A HA 0.894 5.211 4.320 -0.006 0.000 0.331 686 A C -0.115 177.475 177.584 0.009 0.000 1.140 686 A CA -0.680 51.451 52.037 0.158 0.000 0.801 686 A CB 1.411 20.571 19.000 0.267 0.000 1.234 686 A HN 0.749 nan 8.150 nan 0.000 0.469 687 L N 0.747 121.938 121.223 -0.054 0.000 2.421 687 L HA 0.550 4.887 4.340 -0.006 0.000 0.263 687 L C 0.598 177.334 176.870 -0.223 0.000 1.122 687 L CA 0.578 55.276 54.840 -0.237 0.000 0.804 687 L CB 1.508 43.334 42.059 -0.389 0.000 1.150 687 L HN 0.741 nan 8.230 nan 0.000 0.457 688 T N 3.596 117.877 114.554 -0.456 0.000 2.797 688 T HA 0.532 4.878 4.350 -0.006 0.000 0.279 688 T C -0.406 174.153 174.700 -0.236 0.000 0.991 688 T CA -0.204 61.612 62.100 -0.473 0.000 0.979 688 T CB 1.012 69.386 68.868 -0.823 0.000 0.943 688 T HN 0.442 nan 8.240 nan 0.000 0.444 689 I N 2.852 123.391 120.570 -0.051 0.000 2.362 689 I HA 0.737 4.903 4.170 -0.006 0.000 0.289 689 I C 0.053 176.322 176.117 0.254 0.000 0.994 689 I CA 0.080 61.471 61.300 0.150 0.000 1.158 689 I CB 0.394 38.416 38.000 0.037 0.000 1.315 689 I HN 0.795 nan 8.210 nan 0.000 0.451 690 G N 3.935 112.968 108.800 0.389 0.000 2.550 690 G HA2 0.441 4.398 3.960 -0.006 0.000 0.293 690 G HA3 0.441 4.398 3.960 -0.006 0.000 0.293 690 G C -0.959 173.877 174.900 -0.106 0.000 1.402 690 G CA -0.323 44.920 45.100 0.238 0.000 0.784 690 G HN 0.586 nan 8.290 nan 0.000 0.482 691 T N -1.528 112.842 114.554 -0.306 0.000 2.902 691 T HA 0.538 4.884 4.350 -0.006 0.000 0.280 691 T C 0.684 175.274 174.700 -0.183 0.000 0.992 691 T CA -0.694 61.148 62.100 -0.430 0.000 1.015 691 T CB 1.202 69.831 68.868 -0.398 0.000 1.044 691 T HN 0.269 nan 8.240 nan 0.000 0.520 692 M N 2.883 122.384 119.600 -0.165 0.000 3.237 692 M HA 0.326 4.802 4.480 -0.006 0.000 0.266 692 M C -0.485 175.763 176.300 -0.086 0.000 1.456 692 M CA -0.025 55.213 55.300 -0.104 0.000 1.593 692 M CB -1.689 30.857 32.600 -0.090 0.000 1.129 692 M HN 0.738 nan 8.290 nan 0.000 0.547 693 D N -0.011 120.345 120.400 -0.074 0.000 2.601 693 D HA 0.684 5.320 4.640 -0.006 0.000 0.230 693 D C 0.689 176.966 176.300 -0.038 0.000 1.106 693 D CA 0.694 54.663 54.000 -0.051 0.000 0.873 693 D CB 1.755 42.527 40.800 -0.046 0.000 1.515 693 D HN 0.599 nan 8.370 nan 0.000 0.468 694 G N 1.460 110.246 108.800 -0.024 0.000 2.627 694 G HA2 -0.251 3.705 3.960 -0.006 0.000 0.312 694 G HA3 -0.251 3.705 3.960 -0.006 0.000 0.312 694 G C 1.059 175.949 174.900 -0.017 0.000 1.299 694 G CA 1.179 46.268 45.100 -0.018 0.000 0.989 694 G HN 1.060 nan 8.290 nan 0.000 0.547 695 A N -0.454 122.352 122.820 -0.025 0.000 2.168 695 A HA 0.043 4.360 4.320 -0.006 0.000 0.215 695 A C 2.144 179.657 177.584 -0.119 0.000 1.152 695 A CA 1.956 53.970 52.037 -0.039 0.000 0.716 695 A CB -0.479 18.485 19.000 -0.061 0.000 0.794 695 A HN 0.641 nan 8.150 nan 0.000 0.465 696 N N 0.526 119.166 118.700 -0.100 0.000 2.137 696 N HA -0.157 4.579 4.740 -0.006 0.000 0.190 696 N C 1.596 176.975 175.510 -0.219 0.000 1.017 696 N CA 1.626 54.609 53.050 -0.112 0.000 0.859 696 N CB -0.653 37.823 38.487 -0.018 0.000 1.002 696 N HN 0.297 nan 8.380 nan 0.000 0.428 697 V N 1.320 121.151 119.914 -0.138 0.000 2.287 697 V HA -0.217 3.900 4.120 -0.006 0.000 0.248 697 V C 1.967 177.982 176.094 -0.132 0.000 1.053 697 V CA 1.710 63.929 62.300 -0.135 0.000 1.027 697 V CB -0.499 31.281 31.823 -0.073 0.000 0.646 697 V HN 0.366 nan 8.190 nan 0.000 0.447 698 E N -0.600 119.573 120.200 -0.045 0.000 2.152 698 E HA -0.132 4.215 4.350 -0.006 0.000 0.192 698 E C 2.205 178.887 176.600 0.136 0.000 0.983 698 E CA 1.032 57.477 56.400 0.077 0.000 0.818 698 E CB -0.186 29.647 29.700 0.220 0.000 0.758 698 E HN 0.545 nan 8.360 nan 0.000 0.467 699 M N 0.557 120.108 119.600 -0.081 0.000 2.086 699 M HA -0.136 4.341 4.480 -0.006 0.000 0.261 699 M C 2.511 178.531 176.300 -0.467 0.000 1.067 699 M CA 1.551 56.717 55.300 -0.224 0.000 1.116 699 M CB -0.201 32.137 32.600 -0.438 0.000 1.348 699 M HN 0.137 nan 8.290 nan 0.000 0.407 700 A N -0.188 122.096 122.820 -0.892 0.000 1.933 700 A HA -0.214 4.102 4.320 -0.006 0.000 0.218 700 A C 1.983 179.367 177.584 -0.334 0.000 1.175 700 A CA 1.929 53.428 52.037 -0.898 0.000 0.628 700 A CB -0.787 17.753 19.000 -0.766 0.000 0.814 700 A HN 0.587 nan 8.150 nan 0.000 0.444 701 E N -0.421 119.653 120.200 -0.209 0.000 2.072 701 E HA -0.204 4.143 4.350 -0.006 0.000 0.191 701 E C 1.773 178.342 176.600 -0.052 0.000 0.985 701 E CA 1.199 57.540 56.400 -0.098 0.000 0.801 701 E CB -0.049 29.615 29.700 -0.060 0.000 0.750 701 E HN 0.550 nan 8.360 nan 0.000 0.452 702 E N 0.051 120.245 120.200 -0.010 0.000 2.072 702 E HA -0.121 4.226 4.350 -0.006 0.000 0.190 702 E C 1.835 178.452 176.600 0.029 0.000 0.982 702 E CA 1.110 57.529 56.400 0.030 0.000 0.803 702 E CB -0.137 29.638 29.700 0.124 0.000 0.755 702 E HN 0.350 nan 8.360 nan 0.000 0.453 703 A N 0.357 123.194 122.820 0.028 0.000 2.081 703 A HA 0.342 4.659 4.320 -0.006 0.000 0.214 703 A C 1.050 178.645 177.584 0.018 0.000 1.158 703 A CA 1.103 53.173 52.037 0.055 0.000 0.724 703 A CB 0.058 19.148 19.000 0.149 0.000 0.826 703 A HN 0.251 nan 8.150 nan 0.000 0.463 704 G N -0.505 108.280 108.800 -0.025 0.000 3.067 704 G HA2 -0.072 3.884 3.960 -0.006 0.000 0.686 704 G HA3 -0.072 3.884 3.960 -0.006 0.000 0.686 704 G C -0.060 174.820 174.900 -0.034 0.000 1.119 704 G CA -0.023 45.059 45.100 -0.031 0.000 0.790 704 G HN 0.239 nan 8.290 nan 0.000 0.605 705 E N 0.971 121.141 120.200 -0.050 0.000 2.209 705 E HA -0.166 4.181 4.350 -0.006 0.000 0.196 705 E C 1.950 178.534 176.600 -0.026 0.000 0.993 705 E CA 1.714 58.092 56.400 -0.035 0.000 0.819 705 E CB 0.089 29.767 29.700 -0.038 0.000 0.745 705 E HN 0.762 nan 8.360 nan 0.000 0.477 706 E N 0.752 120.925 120.200 -0.045 0.000 2.338 706 E HA -0.081 4.266 4.350 -0.006 0.000 0.197 706 E C 0.980 177.491 176.600 -0.149 0.000 1.007 706 E CA 0.594 56.946 56.400 -0.080 0.000 0.849 706 E CB -0.027 29.639 29.700 -0.057 0.000 0.774 706 E HN 0.160 nan 8.360 nan 0.000 0.506 707 N N -0.359 118.280 118.700 -0.101 0.000 2.251 707 N HA 0.142 4.879 4.740 -0.006 0.000 0.217 707 N C -0.934 174.489 175.510 -0.144 0.000 1.124 707 N CA 0.087 53.048 53.050 -0.147 0.000 0.843 707 N CB 0.389 38.849 38.487 -0.046 0.000 1.024 707 N HN 0.050 nan 8.380 nan 0.000 0.501 708 F N -0.402 119.321 119.950 -0.379 0.000 2.588 708 F HA 0.414 4.937 4.527 -0.007 0.000 0.314 708 F C -0.793 174.763 175.800 -0.407 0.000 1.069 708 F CA -1.125 56.686 58.000 -0.315 0.000 0.931 708 F CB 1.341 40.257 39.000 -0.140 0.000 1.260 708 F HN -0.225 nan 8.300 nan 0.000 0.465 709 F N 4.909 124.860 119.950 0.002 0.000 2.359 709 F HA 0.426 4.949 4.527 -0.006 0.000 0.355 709 F C -0.433 175.494 175.800 0.212 0.000 1.132 709 F CA -0.558 57.481 58.000 0.065 0.000 1.246 709 F CB -0.071 38.913 39.000 -0.026 0.000 1.569 709 F HN 0.022 nan 8.300 nan 0.000 0.561 710 I N 3.878 124.649 120.570 0.336 0.000 2.440 710 I HA 0.441 4.607 4.170 -0.006 0.000 0.294 710 I C -0.120 176.187 176.117 0.317 0.000 0.995 710 I CA -0.546 60.918 61.300 0.273 0.000 1.306 710 I CB 0.580 38.662 38.000 0.137 0.000 1.407 710 I HN 0.344 nan 8.210 nan 0.000 0.501 711 F N 2.584 122.600 119.950 0.109 0.000 2.779 711 F HA 0.913 5.436 4.527 -0.007 0.000 0.316 711 F C 0.044 175.886 175.800 0.070 0.000 1.164 711 F CA -0.680 57.376 58.000 0.092 0.000 0.924 711 F CB 0.792 39.859 39.000 0.111 0.000 1.348 711 F HN 0.901 nan 8.300 nan 0.000 0.467 712 G N 0.935 109.789 108.800 0.089 0.000 2.796 712 G HA2 -0.078 3.878 3.960 -0.006 0.000 0.571 712 G HA3 -0.078 3.878 3.960 -0.006 0.000 0.571 712 G C -0.834 174.031 174.900 -0.057 0.000 1.370 712 G CA -0.559 44.522 45.100 -0.031 0.000 0.856 712 G HN 0.960 nan 8.290 nan 0.000 0.538 713 M N 0.706 120.287 119.600 -0.032 0.000 2.252 713 M HA 0.278 4.754 4.480 -0.006 0.000 0.333 713 M C 1.169 177.434 176.300 -0.057 0.000 1.111 713 M CA 0.058 55.347 55.300 -0.018 0.000 1.140 713 M CB 0.323 32.922 32.600 -0.001 0.000 1.538 713 M HN 0.519 nan 8.290 nan 0.000 0.448 714 R N 1.372 121.852 120.500 -0.034 0.000 2.608 714 R HA 0.317 4.654 4.340 -0.006 0.000 0.255 714 R C 1.203 177.484 176.300 -0.031 0.000 1.086 714 R CA -0.620 55.454 56.100 -0.042 0.000 1.125 714 R CB 0.143 30.425 30.300 -0.029 0.000 1.193 714 R HN 0.575 nan 8.270 nan 0.000 0.553 715 V N 1.369 121.264 119.914 -0.033 0.000 2.324 715 V HA -0.250 3.867 4.120 -0.006 0.000 0.250 715 V C 2.436 178.520 176.094 -0.017 0.000 1.060 715 V CA 2.144 64.428 62.300 -0.026 0.000 1.042 715 V CB -0.472 31.335 31.823 -0.028 0.000 0.650 715 V HN 0.724 nan 8.190 nan 0.000 0.450 716 E N 0.191 120.383 120.200 -0.013 0.000 2.110 716 E HA -0.264 4.083 4.350 -0.006 0.000 0.193 716 E C 1.814 178.418 176.600 0.006 0.000 0.988 716 E CA 1.650 58.048 56.400 -0.005 0.000 0.804 716 E CB -0.189 29.509 29.700 -0.004 0.000 0.745 716 E HN 0.648 nan 8.360 nan 0.000 0.458 717 D N 0.245 120.651 120.400 0.009 0.000 2.144 717 D HA -0.111 4.525 4.640 -0.006 0.000 0.200 717 D C 2.143 178.458 176.300 0.026 0.000 0.978 717 D CA 0.842 54.858 54.000 0.026 0.000 0.833 717 D CB -0.013 40.806 40.800 0.030 0.000 0.961 717 D HN 0.126 nan 8.370 nan 0.000 0.470 718 V N 1.923 121.840 119.914 0.005 0.000 2.295 718 V HA -0.203 3.913 4.120 -0.006 0.000 0.246 718 V C 2.013 178.108 176.094 0.001 0.000 1.049 718 V CA 1.645 63.940 62.300 -0.007 0.000 1.024 718 V CB -0.373 31.437 31.823 -0.022 0.000 0.648 718 V HN 0.061 nan 8.190 nan 0.000 0.447 719 D N -0.173 120.229 120.400 0.002 0.000 2.117 719 D HA -0.154 4.482 4.640 -0.006 0.000 0.197 719 D C 2.402 178.714 176.300 0.021 0.000 0.987 719 D CA 1.209 55.212 54.000 0.005 0.000 0.829 719 D CB -0.223 40.577 40.800 -0.000 0.000 0.961 719 D HN 0.349 nan 8.370 nan 0.000 0.460 720 R N 0.229 120.746 120.500 0.028 0.000 2.091 720 R HA -0.051 4.285 4.340 -0.006 0.000 0.238 720 R C 2.550 178.886 176.300 0.061 0.000 1.136 720 R CA 0.558 56.682 56.100 0.041 0.000 0.959 720 R CB -0.367 29.959 30.300 0.044 0.000 0.856 720 R HN 0.190 nan 8.270 nan 0.000 0.437 721 L N 0.611 121.879 121.223 0.075 0.000 2.083 721 L HA -0.216 4.121 4.340 -0.006 0.000 0.209 721 L C 1.529 178.465 176.870 0.111 0.000 1.083 721 L CA 1.316 56.228 54.840 0.120 0.000 0.752 721 L CB -0.260 41.884 42.059 0.142 0.000 0.899 721 L HN 0.246 nan 8.230 nan 0.000 0.433 722 D N -0.844 119.595 120.400 0.066 0.000 2.178 722 D HA -0.167 4.470 4.640 -0.006 0.000 0.202 722 D C 2.272 178.604 176.300 0.053 0.000 0.974 722 D CA 0.803 54.836 54.000 0.054 0.000 0.841 722 D CB 0.014 40.826 40.800 0.019 0.000 0.953 722 D HN 0.360 nan 8.370 nan 0.000 0.478 723 Q N 0.481 120.308 119.800 0.046 0.000 2.050 723 Q HA -0.106 4.230 4.340 -0.006 0.000 0.202 723 Q C 2.242 178.270 176.000 0.046 0.000 0.980 723 Q CA 0.853 56.679 55.803 0.038 0.000 0.840 723 Q CB -0.367 28.390 28.738 0.032 0.000 0.898 723 Q HN 0.311 nan 8.270 nan 0.000 0.424 724 R N -0.030 120.506 120.500 0.059 0.000 2.090 724 R HA -0.003 4.333 4.340 -0.006 0.000 0.228 724 R C -0.018 176.324 176.300 0.070 0.000 1.110 724 R CA 1.087 57.224 56.100 0.062 0.000 0.973 724 R CB 0.112 30.456 30.300 0.073 0.000 0.869 724 R HN 0.368 nan 8.270 nan 0.000 0.440 725 G N 0.160 109.018 108.800 0.096 0.000 3.448 725 G HA2 -0.240 3.716 3.960 -0.006 0.000 0.685 725 G HA3 -0.240 3.716 3.960 -0.006 0.000 0.685 725 G C -1.248 173.748 174.900 0.159 0.000 1.151 725 G CA -0.443 44.721 45.100 0.107 0.000 1.023 725 G HN 0.301 nan 8.290 nan 0.000 0.499 726 Y N 3.709 124.045 120.300 0.059 0.000 2.496 726 Y HA 0.499 5.046 4.550 -0.006 0.000 0.334 726 Y C 0.408 176.366 175.900 0.097 0.000 1.080 726 Y CA -0.547 57.606 58.100 0.090 0.000 1.355 726 Y CB 0.852 39.345 38.460 0.055 0.000 1.193 726 Y HN 0.566 nan 8.280 nan 0.000 0.523 727 N N 5.291 123.763 118.700 -0.381 0.000 2.573 727 N HA 0.265 5.001 4.740 -0.006 0.000 0.262 727 N C 0.133 175.399 175.510 -0.407 0.000 1.029 727 N CA 0.354 53.201 53.050 -0.339 0.000 0.882 727 N CB 1.528 39.945 38.487 -0.116 0.000 1.204 727 N HN 0.868 nan 8.380 nan 0.000 0.519 728 A N 3.001 125.487 122.820 -0.558 0.000 1.978 728 A HA -0.219 4.097 4.320 -0.006 0.000 0.220 728 A C 1.916 179.633 177.584 0.223 0.000 1.170 728 A CA 1.488 53.444 52.037 -0.136 0.000 0.636 728 A CB -0.351 18.500 19.000 -0.249 0.000 0.810 728 A HN 0.739 nan 8.150 nan 0.000 0.448 729 Q N 0.259 120.082 119.800 0.040 0.000 2.152 729 Q HA -0.248 4.088 4.340 -0.006 0.000 0.206 729 Q C 1.881 177.951 176.000 0.116 0.000 0.985 729 Q CA 2.391 58.231 55.803 0.061 0.000 0.863 729 Q CB -0.385 28.346 28.738 -0.013 0.000 0.904 729 Q HN 0.785 nan 8.270 nan 0.000 0.422 730 E N -1.432 118.783 120.200 0.025 0.000 2.070 730 E HA -0.249 4.098 4.350 -0.006 0.000 0.197 730 E C 1.638 178.171 176.600 -0.113 0.000 1.004 730 E CA 1.564 57.905 56.400 -0.098 0.000 0.805 730 E CB -0.266 29.275 29.700 -0.265 0.000 0.744 730 E HN 0.592 nan 8.360 nan 0.000 0.451 731 Y N -1.008 119.357 120.300 0.108 0.000 2.200 731 Y HA -0.222 4.325 4.550 -0.006 0.000 0.290 731 Y C 2.272 178.172 175.900 0.001 0.000 1.137 731 Y CA 1.591 59.742 58.100 0.086 0.000 1.163 731 Y CB -0.779 37.784 38.460 0.172 0.000 0.988 731 Y HN 0.250 nan 8.280 nan 0.000 0.518 732 Y N 1.338 121.667 120.300 0.049 0.000 2.207 732 Y HA -0.267 4.280 4.550 -0.006 0.000 0.287 732 Y C 1.751 177.615 175.900 -0.060 0.000 1.156 732 Y CA 1.848 59.898 58.100 -0.083 0.000 1.182 732 Y CB -0.398 38.064 38.460 0.004 0.000 0.979 732 Y HN 0.101 nan 8.280 nan 0.000 0.521 733 D N -0.376 120.140 120.400 0.193 0.000 2.234 733 D HA -0.065 4.571 4.640 -0.006 0.000 0.205 733 D C 1.715 178.002 176.300 -0.022 0.000 0.962 733 D CA 1.027 55.079 54.000 0.087 0.000 0.855 733 D CB -0.081 40.778 40.800 0.098 0.000 0.951 733 D HN 0.490 nan 8.370 nan 0.000 0.500 734 R N -0.100 120.380 120.500 -0.033 0.000 2.362 734 R HA 0.297 4.634 4.340 -0.006 0.000 0.227 734 R C 0.365 176.643 176.300 -0.036 0.000 0.905 734 R CA 0.059 56.135 56.100 -0.040 0.000 1.067 734 R CB 1.241 31.512 30.300 -0.048 0.000 1.078 734 R HN 0.129 nan 8.270 nan 0.000 0.516 735 I N 1.994 122.522 120.570 -0.070 0.000 2.495 735 I HA 0.224 4.390 4.170 -0.006 0.000 0.277 735 I C -1.970 174.053 176.117 -0.157 0.000 1.045 735 I CA -2.327 58.935 61.300 -0.065 0.000 1.135 735 I CB 2.179 40.169 38.000 -0.017 0.000 1.241 735 I HN -0.305 nan 8.210 nan 0.000 0.469 736 P HA -0.203 nan 4.420 nan 0.000 0.216 736 P C 1.189 178.392 177.300 -0.162 0.000 1.157 736 P CA 1.534 64.545 63.100 -0.149 0.000 0.880 736 P CB 0.296 31.942 31.700 -0.090 0.000 0.791 737 E N -1.213 118.929 120.200 -0.098 0.000 2.153 737 E HA -0.163 4.183 4.350 -0.006 0.000 0.194 737 E C 1.861 178.355 176.600 -0.178 0.000 0.988 737 E CA 0.658 57.012 56.400 -0.076 0.000 0.811 737 E CB -0.564 29.162 29.700 0.044 0.000 0.746 737 E HN 0.129 nan 8.360 nan 0.000 0.466 738 L N 1.244 122.275 121.223 -0.321 0.000 2.072 738 L HA -0.112 4.224 4.340 -0.006 0.000 0.205 738 L C 2.357 178.935 176.870 -0.486 0.000 1.079 738 L CA 1.592 56.072 54.840 -0.600 0.000 0.752 738 L CB -0.314 41.248 42.059 -0.829 0.000 0.906 738 L HN -0.092 nan 8.230 nan 0.000 0.436 739 R N -0.686 119.500 120.500 -0.523 0.000 2.083 739 R HA -0.253 4.083 4.340 -0.006 0.000 0.237 739 R C 2.378 178.481 176.300 -0.329 0.000 1.137 739 R CA 2.026 57.713 56.100 -0.688 0.000 0.951 739 R CB -0.408 29.416 30.300 -0.794 0.000 0.851 739 R HN 0.639 nan 8.270 nan 0.000 0.434 740 Q N 0.503 120.158 119.800 -0.242 0.000 2.112 740 Q HA -0.197 4.139 4.340 -0.006 0.000 0.206 740 Q C 2.048 177.981 176.000 -0.112 0.000 0.987 740 Q CA 2.111 57.823 55.803 -0.150 0.000 0.858 740 Q CB -0.158 28.498 28.738 -0.136 0.000 0.905 740 Q HN 0.511 nan 8.270 nan 0.000 0.420 741 I N 0.066 120.565 120.570 -0.118 0.000 2.179 741 I HA -0.270 3.896 4.170 -0.006 0.000 0.242 741 I C 2.016 178.142 176.117 0.015 0.000 1.088 741 I CA 0.711 61.980 61.300 -0.051 0.000 1.357 741 I CB -0.223 37.724 38.000 -0.088 0.000 1.051 741 I HN 0.254 nan 8.210 nan 0.000 0.409 742 I N 0.837 121.415 120.570 0.015 0.000 2.286 742 I HA -0.251 3.915 4.170 -0.006 0.000 0.248 742 I C 2.434 178.644 176.117 0.156 0.000 1.115 742 I CA 1.569 62.952 61.300 0.137 0.000 1.392 742 I CB -0.584 37.589 38.000 0.289 0.000 1.065 742 I HN 0.204 nan 8.210 nan 0.000 0.418 743 E N -0.209 120.061 120.200 0.116 0.000 2.150 743 E HA -0.229 4.117 4.350 -0.006 0.000 0.193 743 E C 2.135 178.794 176.600 0.099 0.000 0.985 743 E CA 0.815 57.281 56.400 0.110 0.000 0.814 743 E CB -0.167 29.574 29.700 0.067 0.000 0.752 743 E HN 0.610 nan 8.360 nan 0.000 0.466 744 Q N 0.498 120.335 119.800 0.062 0.000 2.079 744 Q HA -0.101 4.235 4.340 -0.006 0.000 0.200 744 Q C 2.361 178.515 176.000 0.256 0.000 0.974 744 Q CA 0.919 56.758 55.803 0.061 0.000 0.840 744 Q CB -0.021 28.636 28.738 -0.136 0.000 0.898 744 Q HN 0.296 nan 8.270 nan 0.000 0.430 745 L N 0.026 121.418 121.223 0.282 0.000 2.027 745 L HA -0.176 4.160 4.340 -0.006 0.000 0.206 745 L C 2.437 179.489 176.870 0.304 0.000 1.074 745 L CA 0.975 56.014 54.840 0.331 0.000 0.745 745 L CB -0.348 41.825 42.059 0.190 0.000 0.898 745 L HN 0.139 nan 8.230 nan 0.000 0.433 746 S N -0.302 115.531 115.700 0.221 0.000 2.383 746 S HA -0.148 4.318 4.470 -0.006 0.000 0.227 746 S C 2.071 176.771 174.600 0.167 0.000 1.026 746 S CA 1.493 59.804 58.200 0.184 0.000 0.981 746 S CB -0.228 63.061 63.200 0.149 0.000 0.818 746 S HN 0.601 nan 8.310 nan 0.000 0.472 747 S N 0.484 116.284 115.700 0.165 0.000 2.561 747 S HA 0.305 4.771 4.470 -0.006 0.000 0.225 747 S C 1.433 176.121 174.600 0.146 0.000 0.977 747 S CA 0.712 58.995 58.200 0.139 0.000 0.926 747 S CB -0.131 63.145 63.200 0.127 0.000 0.769 747 S HN 0.821 nan 8.310 nan 0.000 0.533 748 G N 0.583 109.502 108.800 0.199 0.000 2.131 748 G HA2 -0.283 3.673 3.960 -0.006 0.000 0.223 748 G HA3 -0.283 3.673 3.960 -0.006 0.000 0.223 748 G C 0.182 175.173 174.900 0.152 0.000 0.990 748 G CA 0.120 45.328 45.100 0.180 0.000 0.671 748 G HN 0.532 nan 8.290 nan 0.000 0.521 749 F N 0.352 120.300 119.950 -0.004 0.000 2.202 749 F HA 0.187 4.710 4.527 -0.006 0.000 0.301 749 F C 1.808 177.405 175.800 -0.338 0.000 1.082 749 F CA 1.880 59.753 58.000 -0.212 0.000 1.313 749 F CB -0.062 38.725 39.000 -0.356 0.000 1.024 749 F HN 0.169 nan 8.300 nan 0.000 0.495 750 F N -0.308 119.819 119.950 0.294 0.000 2.664 750 F HA 0.214 4.737 4.527 -0.006 0.000 0.303 750 F C 0.640 176.565 175.800 0.208 0.000 1.092 750 F CA 0.269 58.391 58.000 0.204 0.000 1.305 750 F CB -0.144 38.971 39.000 0.191 0.000 1.054 750 F HN -0.011 nan 8.300 nan 0.000 0.565 751 S N -2.098 113.758 115.700 0.260 0.000 2.605 751 S HA 0.312 4.778 4.470 -0.006 0.000 0.142 751 S C -2.468 172.156 174.600 0.039 0.000 1.452 751 S CA -1.001 57.279 58.200 0.132 0.000 1.240 751 S CB 0.850 64.092 63.200 0.071 0.000 1.538 751 S HN -0.182 nan 8.310 nan 0.000 0.394 752 P HA -0.162 nan 4.420 nan 0.000 0.215 752 P C 1.308 178.596 177.300 -0.019 0.000 1.163 752 P CA 1.557 64.633 63.100 -0.039 0.000 0.894 752 P CB 0.091 31.743 31.700 -0.079 0.000 0.791 753 K N -0.988 119.402 120.400 -0.018 0.000 2.148 753 K HA -0.091 4.226 4.320 -0.006 0.000 0.204 753 K C 0.761 177.358 176.600 -0.006 0.000 1.050 753 K CA 1.015 57.295 56.287 -0.011 0.000 0.942 753 K CB -0.166 32.329 32.500 -0.008 0.000 0.724 753 K HN 0.362 nan 8.250 nan 0.000 0.446 754 Q N -0.133 119.661 119.800 -0.009 0.000 2.788 754 Q HA 0.151 4.488 4.340 -0.006 0.000 0.261 754 Q C -2.331 173.661 176.000 -0.013 0.000 1.029 754 Q CA -1.685 54.108 55.803 -0.016 0.000 0.848 754 Q CB 1.505 30.224 28.738 -0.031 0.000 1.185 754 Q HN -0.068 nan 8.270 nan 0.000 0.482 755 P HA -0.247 nan 4.420 nan 0.000 0.218 755 P C 0.604 177.940 177.300 0.059 0.000 1.154 755 P CA 1.614 64.740 63.100 0.043 0.000 0.872 755 P CB 0.177 31.901 31.700 0.039 0.000 0.790 756 D N -1.418 119.002 120.400 0.034 0.000 2.395 756 D HA -0.003 4.634 4.640 -0.006 0.000 0.226 756 D C 1.498 177.800 176.300 0.003 0.000 1.146 756 D CA -0.287 53.741 54.000 0.047 0.000 0.830 756 D CB -0.837 39.991 40.800 0.048 0.000 0.958 756 D HN 0.024 nan 8.370 nan 0.000 0.501 757 L N -0.204 120.958 121.223 -0.101 0.000 2.043 757 L HA -0.040 4.297 4.340 -0.006 0.000 0.212 757 L C 1.052 177.706 176.870 -0.361 0.000 1.075 757 L CA 1.691 56.351 54.840 -0.299 0.000 0.752 757 L CB -0.599 41.101 42.059 -0.599 0.000 0.891 757 L HN 0.017 nan 8.230 nan 0.000 0.432 758 F N -0.402 119.605 119.950 0.096 0.000 2.730 758 F HA 0.150 4.674 4.527 -0.006 0.000 0.295 758 F C 1.829 177.683 175.800 0.091 0.000 1.143 758 F CA -0.150 57.897 58.000 0.079 0.000 1.367 758 F CB -0.346 38.689 39.000 0.058 0.000 0.970 758 F HN 0.115 nan 8.300 nan 0.000 0.514 759 K N -0.377 120.142 120.400 0.198 0.000 2.097 759 K HA -0.174 4.143 4.320 -0.006 0.000 0.206 759 K C 0.944 177.649 176.600 0.175 0.000 1.049 759 K CA 1.890 58.278 56.287 0.167 0.000 0.933 759 K CB -0.234 32.339 32.500 0.122 0.000 0.717 759 K HN 0.106 nan 8.250 nan 0.000 0.442 760 D N 1.316 121.832 120.400 0.193 0.000 2.144 760 D HA -0.075 4.561 4.640 -0.006 0.000 0.200 760 D C 2.070 178.487 176.300 0.196 0.000 0.978 760 D CA 1.075 55.201 54.000 0.210 0.000 0.833 760 D CB -0.078 40.888 40.800 0.277 0.000 0.961 760 D HN 0.316 nan 8.370 nan 0.000 0.470 761 I N 0.571 121.256 120.570 0.192 0.000 2.202 761 I HA -0.207 3.959 4.170 -0.006 0.000 0.242 761 I C 2.447 178.626 176.117 0.103 0.000 1.091 761 I CA 0.597 61.978 61.300 0.136 0.000 1.368 761 I CB -0.182 37.890 38.000 0.121 0.000 1.058 761 I HN -0.123 nan 8.210 nan 0.000 0.410 762 V N 1.035 121.023 119.914 0.124 0.000 2.343 762 V HA -0.326 3.791 4.120 -0.006 0.000 0.247 762 V C 2.195 178.299 176.094 0.017 0.000 1.051 762 V CA 2.421 64.773 62.300 0.087 0.000 1.036 762 V CB -1.036 30.857 31.823 0.117 0.000 0.654 762 V HN 0.536 nan 8.190 nan 0.000 0.451 763 N N -0.482 118.264 118.700 0.077 0.000 2.104 763 N HA -0.249 4.487 4.740 -0.006 0.000 0.190 763 N C 2.042 177.553 175.510 0.002 0.000 1.024 763 N CA 1.571 54.677 53.050 0.094 0.000 0.853 763 N CB -0.127 38.500 38.487 0.234 0.000 1.008 763 N HN 0.349 nan 8.380 nan 0.000 0.424 764 M N 0.813 120.486 119.600 0.121 0.000 2.067 764 M HA -0.142 4.334 4.480 -0.006 0.000 0.260 764 M C 1.752 178.017 176.300 -0.058 0.000 1.069 764 M CA 1.332 56.733 55.300 0.169 0.000 1.117 764 M CB -0.791 31.925 32.600 0.193 0.000 1.334 764 M HN 0.209 nan 8.290 nan 0.000 0.407 765 L N 0.649 121.796 121.223 -0.127 0.000 2.042 765 L HA -0.228 4.108 4.340 -0.006 0.000 0.210 765 L C 2.491 179.054 176.870 -0.511 0.000 1.076 765 L CA 1.640 56.270 54.840 -0.350 0.000 0.749 765 L CB -1.444 40.420 42.059 -0.324 0.000 0.893 765 L HN 0.379 nan 8.230 nan 0.000 0.432 766 M N -1.827 117.510 119.600 -0.438 0.000 2.288 766 M HA -0.072 4.405 4.480 -0.006 0.000 0.266 766 M C 1.853 177.686 176.300 -0.777 0.000 1.072 766 M CA 1.373 56.309 55.300 -0.607 0.000 1.132 766 M CB -0.746 31.391 32.600 -0.772 0.000 1.386 766 M HN 0.339 nan 8.290 nan 0.000 0.432 767 H N -1.972 116.871 119.070 -0.377 0.000 3.091 767 H HA 0.209 4.762 4.556 -0.006 0.000 0.249 767 H C 0.073 175.102 175.328 -0.499 0.000 0.985 767 H CA 0.559 56.306 56.048 -0.502 0.000 1.177 767 H CB 0.270 29.643 29.762 -0.648 0.000 1.456 767 H HN 0.514 nan 8.280 nan 0.000 0.467 768 H N -0.421 118.703 119.070 0.089 0.000 2.616 768 H HA 0.251 4.803 4.556 -0.006 0.000 0.229 768 H C -0.991 174.355 175.328 0.029 0.000 1.418 768 H CA -0.623 55.465 56.048 0.066 0.000 1.248 768 H CB 0.296 30.099 29.762 0.069 0.000 1.822 768 H HN -0.066 nan 8.280 nan 0.000 0.522 769 D N 1.288 121.738 120.400 0.083 0.000 2.411 769 D HA 0.131 4.767 4.640 -0.006 0.000 0.225 769 D C 0.894 177.144 176.300 -0.084 0.000 1.156 769 D CA -0.411 53.606 54.000 0.028 0.000 0.874 769 D CB 0.636 41.427 40.800 -0.014 0.000 1.034 769 D HN 0.378 nan 8.370 nan 0.000 0.502 770 R N 2.255 122.607 120.500 -0.247 0.000 2.237 770 R HA -0.041 4.295 4.340 -0.006 0.000 0.219 770 R C 0.545 176.327 176.300 -0.864 0.000 1.080 770 R CA 0.857 56.598 56.100 -0.599 0.000 0.995 770 R CB 0.095 29.855 30.300 -0.901 0.000 0.875 770 R HN 0.405 nan 8.270 nan 0.000 0.462 771 F N 1.417 121.333 119.950 -0.057 0.000 2.654 771 F HA 0.182 4.706 4.527 -0.006 0.000 0.303 771 F C 0.108 175.789 175.800 -0.198 0.000 1.099 771 F CA -0.829 57.121 58.000 -0.083 0.000 1.270 771 F CB 0.140 39.153 39.000 0.022 0.000 1.024 771 F HN -0.140 nan 8.300 nan 0.000 0.548 772 K N -0.677 119.530 120.400 -0.323 0.000 3.834 772 K HA -0.211 4.106 4.320 -0.006 0.000 0.276 772 K C 0.587 177.075 176.600 -0.186 0.000 0.850 772 K CA 0.336 56.275 56.287 -0.579 0.000 0.704 772 K CB -2.066 29.803 32.500 -1.052 0.000 1.644 772 K HN 0.277 nan 8.250 nan 0.000 0.440 773 V N 0.855 120.736 119.914 -0.055 0.000 2.287 773 V HA -0.264 3.853 4.120 -0.006 0.000 0.248 773 V C 2.281 178.518 176.094 0.238 0.000 1.053 773 V CA 2.335 64.680 62.300 0.075 0.000 1.027 773 V CB -0.646 31.223 31.823 0.077 0.000 0.646 773 V HN 0.626 nan 8.190 nan 0.000 0.447 774 F N 0.262 120.213 119.950 0.001 0.000 2.171 774 F HA -0.204 4.319 4.527 -0.006 0.000 0.300 774 F C 2.555 178.153 175.800 -0.338 0.000 1.090 774 F CA 0.680 58.623 58.000 -0.095 0.000 1.293 774 F CB -0.438 38.501 39.000 -0.101 0.000 1.013 774 F HN 0.205 nan 8.300 nan 0.000 0.486 775 A N -0.366 122.285 122.820 -0.281 0.000 2.024 775 A HA -0.214 4.102 4.320 -0.006 0.000 0.220 775 A C 1.470 179.070 177.584 0.026 0.000 1.164 775 A CA 2.019 53.847 52.037 -0.347 0.000 0.643 775 A CB -0.492 18.425 19.000 -0.139 0.000 0.806 775 A HN 0.262 nan 8.150 nan 0.000 0.451 776 D N -2.935 117.530 120.400 0.110 0.000 2.369 776 D HA 0.093 4.730 4.640 -0.006 0.000 0.211 776 D C 1.145 177.616 176.300 0.285 0.000 1.077 776 D CA -0.061 54.074 54.000 0.225 0.000 0.842 776 D CB -0.121 40.823 40.800 0.240 0.000 0.947 776 D HN 0.591 nan 8.370 nan 0.000 0.509 777 Y N 2.210 122.601 120.300 0.152 0.000 2.070 777 Y HA -0.244 4.303 4.550 -0.006 0.000 0.280 777 Y C 2.126 178.116 175.900 0.150 0.000 1.148 777 Y CA 1.942 60.139 58.100 0.162 0.000 1.125 777 Y CB 0.151 38.672 38.460 0.102 0.000 0.975 777 Y HN -0.110 nan 8.280 nan 0.000 0.492 778 E N -0.091 120.180 120.200 0.118 0.000 2.058 778 E HA -0.282 4.064 4.350 -0.006 0.000 0.194 778 E C 2.232 178.802 176.600 -0.050 0.000 0.997 778 E CA 1.628 58.023 56.400 -0.009 0.000 0.801 778 E CB -0.218 29.579 29.700 0.161 0.000 0.746 778 E HN 0.615 nan 8.360 nan 0.000 0.450 779 E N -0.445 119.804 120.200 0.081 0.000 2.150 779 E HA -0.196 4.150 4.350 -0.006 0.000 0.193 779 E C 1.856 178.455 176.600 -0.001 0.000 0.985 779 E CA 0.596 57.063 56.400 0.111 0.000 0.814 779 E CB -0.034 29.819 29.700 0.256 0.000 0.752 779 E HN 0.249 nan 8.360 nan 0.000 0.466 780 Y N 0.832 120.958 120.300 -0.289 0.000 2.163 780 Y HA -0.214 4.332 4.550 -0.006 0.000 0.288 780 Y C 2.145 177.642 175.900 -0.671 0.000 1.136 780 Y CA 1.607 59.211 58.100 -0.827 0.000 1.147 780 Y CB -0.584 37.450 38.460 -0.710 0.000 0.987 780 Y HN -0.014 nan 8.280 nan 0.000 0.509 781 V N -1.144 118.397 119.914 -0.621 0.000 2.407 781 V HA -0.180 3.936 4.120 -0.006 0.000 0.248 781 V C 2.221 178.067 176.094 -0.414 0.000 1.055 781 V CA 2.197 64.139 62.300 -0.596 0.000 1.049 781 V CB -0.875 30.657 31.823 -0.486 0.000 0.662 781 V HN 0.161 nan 8.190 nan 0.000 0.455 782 K N 0.036 120.261 120.400 -0.291 0.000 2.026 782 K HA -0.089 4.227 4.320 -0.006 0.000 0.208 782 K C 2.269 178.761 176.600 -0.181 0.000 1.048 782 K CA 1.933 58.118 56.287 -0.170 0.000 0.929 782 K CB -1.235 31.217 32.500 -0.079 0.000 0.713 782 K HN 0.643 nan 8.250 nan 0.000 0.439 783 C N 0.818 119.981 119.300 -0.229 0.000 2.429 783 C HA -0.095 4.361 4.460 -0.006 0.000 0.277 783 C C 2.449 177.232 174.990 -0.346 0.000 1.262 783 C CA 0.778 59.684 59.018 -0.186 0.000 1.733 783 C CB -0.718 26.926 27.740 -0.160 0.000 2.010 783 C HN 0.471 nan 8.230 nan 0.000 0.483 784 Q N 0.425 119.881 119.800 -0.573 0.000 2.170 784 Q HA -0.169 4.167 4.340 -0.006 0.000 0.203 784 Q C 1.997 177.782 176.000 -0.360 0.000 0.976 784 Q CA 1.632 57.060 55.803 -0.625 0.000 0.858 784 Q CB -0.389 27.728 28.738 -1.035 0.000 0.907 784 Q HN 0.770 nan 8.270 nan 0.000 0.433 785 E N 0.089 120.137 120.200 -0.254 0.000 2.152 785 E HA -0.111 4.235 4.350 -0.006 0.000 0.192 785 E C 2.038 178.576 176.600 -0.103 0.000 0.983 785 E CA 0.404 56.718 56.400 -0.143 0.000 0.818 785 E CB -0.010 29.630 29.700 -0.101 0.000 0.758 785 E HN 0.271 nan 8.360 nan 0.000 0.467 786 R N 0.766 121.204 120.500 -0.103 0.000 2.115 786 R HA -0.091 4.245 4.340 -0.006 0.000 0.230 786 R C 2.725 178.991 176.300 -0.056 0.000 1.111 786 R CA 1.410 57.511 56.100 0.002 0.000 0.976 786 R CB -0.578 29.798 30.300 0.126 0.000 0.870 786 R HN 0.210 nan 8.270 nan 0.000 0.445 787 V N -1.641 118.038 119.914 -0.392 0.000 2.358 787 V HA -0.126 3.990 4.120 -0.006 0.000 0.246 787 V C 2.010 178.083 176.094 -0.035 0.000 1.047 787 V CA 1.865 63.858 62.300 -0.512 0.000 1.035 787 V CB -0.431 30.927 31.823 -0.775 0.000 0.658 787 V HN 0.059 nan 8.190 nan 0.000 0.452 788 S N 0.997 116.640 115.700 -0.096 0.000 2.399 788 S HA 0.001 4.467 4.470 -0.006 0.000 0.231 788 S C 2.240 176.882 174.600 0.069 0.000 1.022 788 S CA 1.567 59.745 58.200 -0.037 0.000 0.983 788 S CB -0.581 62.565 63.200 -0.090 0.000 0.803 788 S HN 0.948 nan 8.310 nan 0.000 0.480 789 A N 1.143 124.009 122.820 0.075 0.000 1.898 789 A HA 0.069 4.386 4.320 -0.006 0.000 0.216 789 A C 2.070 179.761 177.584 0.178 0.000 1.181 789 A CA 0.929 53.033 52.037 0.113 0.000 0.620 789 A CB -0.594 18.463 19.000 0.095 0.000 0.819 789 A HN 0.466 nan 8.150 nan 0.000 0.442 790 L N -2.081 119.308 121.223 0.275 0.000 2.156 790 L HA -0.119 4.217 4.340 -0.006 0.000 0.208 790 L C 2.438 179.583 176.870 0.458 0.000 1.095 790 L CA 1.417 56.496 54.840 0.399 0.000 0.770 790 L CB -0.327 42.074 42.059 0.571 0.000 0.914 790 L HN 0.579 nan 8.230 nan 0.000 0.439 791 Y N 1.023 121.452 120.300 0.215 0.000 2.333 791 Y HA -0.258 4.289 4.550 -0.005 0.000 0.290 791 Y C 2.330 178.155 175.900 -0.124 0.000 1.144 791 Y CA 1.571 59.533 58.100 -0.229 0.000 1.228 791 Y CB -0.048 38.077 38.460 -0.558 0.000 0.985 791 Y HN 0.061 nan 8.280 nan 0.000 0.542 792 K N -0.174 120.258 120.400 0.052 0.000 2.442 792 K HA -0.121 4.195 4.320 -0.006 0.000 0.198 792 K C 0.414 176.998 176.600 -0.027 0.000 1.042 792 K CA 0.696 57.000 56.287 0.027 0.000 0.958 792 K CB -0.085 32.482 32.500 0.111 0.000 0.766 792 K HN 0.066 nan 8.250 nan 0.000 0.474 793 N N 0.579 119.276 118.700 -0.005 0.000 2.976 793 N HA 0.130 4.866 4.740 -0.006 0.000 0.255 793 N C -2.439 173.068 175.510 -0.004 0.000 1.312 793 N CA -2.094 50.962 53.050 0.009 0.000 0.897 793 N CB 1.103 39.629 38.487 0.064 0.000 1.184 793 N HN -0.193 nan 8.380 nan 0.000 0.497 794 P HA -0.238 nan 4.420 nan 0.000 0.219 794 P C 1.409 178.714 177.300 0.009 0.000 1.161 794 P CA 1.407 64.427 63.100 -0.133 0.000 0.909 794 P CB 0.315 31.916 31.700 -0.164 0.000 0.793 795 R N -0.173 120.333 120.500 0.010 0.000 2.081 795 R HA -0.170 4.166 4.340 -0.006 0.000 0.235 795 R C 1.970 178.308 176.300 0.064 0.000 1.131 795 R CA 1.519 57.638 56.100 0.032 0.000 0.960 795 R CB -0.407 29.904 30.300 0.018 0.000 0.856 795 R HN 0.109 nan 8.270 nan 0.000 0.436 796 E N -0.146 120.104 120.200 0.082 0.000 2.216 796 E HA -0.201 4.145 4.350 -0.006 0.000 0.192 796 E C 1.577 178.253 176.600 0.125 0.000 0.988 796 E CA 0.578 57.030 56.400 0.087 0.000 0.834 796 E CB -0.384 29.367 29.700 0.085 0.000 0.772 796 E HN 0.527 nan 8.360 nan 0.000 0.479 797 W N 2.181 123.474 121.300 -0.011 0.000 2.354 797 W HA -0.165 4.491 4.660 -0.007 0.000 0.315 797 W C 1.574 178.095 176.519 0.003 0.000 1.206 797 W CA 1.983 59.337 57.345 0.014 0.000 1.290 797 W CB -0.436 29.002 29.460 -0.037 0.000 1.152 797 W HN 0.011 nan 8.180 nan 0.000 0.489 798 T N 1.378 116.074 114.554 0.237 0.000 2.788 798 T HA -0.185 4.162 4.350 -0.006 0.000 0.268 798 T C 1.855 176.558 174.700 0.006 0.000 1.044 798 T CA 1.790 63.955 62.100 0.108 0.000 1.139 798 T CB -0.296 68.617 68.868 0.075 0.000 0.867 798 T HN 0.182 nan 8.240 nan 0.000 0.454 799 R N 0.414 120.924 120.500 0.016 0.000 2.092 799 R HA 0.092 4.428 4.340 -0.006 0.000 0.231 799 R C 2.499 178.783 176.300 -0.027 0.000 1.119 799 R CA 1.193 57.300 56.100 0.012 0.000 0.970 799 R CB -0.337 29.978 30.300 0.025 0.000 0.864 799 R HN 0.373 nan 8.270 nan 0.000 0.440 800 M N 0.516 120.064 119.600 -0.087 0.000 2.229 800 M HA -0.123 4.353 4.480 -0.006 0.000 0.264 800 M C 1.889 178.090 176.300 -0.165 0.000 1.063 800 M CA 1.305 56.516 55.300 -0.148 0.000 1.114 800 M CB 0.212 32.664 32.600 -0.246 0.000 1.387 800 M HN -0.025 nan 8.290 nan 0.000 0.420 801 V N 0.930 120.727 119.914 -0.196 0.000 2.295 801 V HA -0.308 3.808 4.120 -0.006 0.000 0.246 801 V C 2.223 178.291 176.094 -0.044 0.000 1.049 801 V CA 2.003 64.218 62.300 -0.143 0.000 1.024 801 V CB -0.602 31.163 31.823 -0.098 0.000 0.648 801 V HN 0.512 nan 8.190 nan 0.000 0.447 802 I N -0.505 120.057 120.570 -0.013 0.000 2.264 802 I HA -0.287 3.879 4.170 -0.006 0.000 0.248 802 I C 2.692 178.853 176.117 0.073 0.000 1.111 802 I CA 1.553 62.891 61.300 0.063 0.000 1.382 802 I CB -0.360 37.719 38.000 0.132 0.000 1.060 802 I HN 0.196 nan 8.210 nan 0.000 0.418 803 R N 0.996 121.516 120.500 0.034 0.000 2.120 803 R HA -0.110 4.226 4.340 -0.006 0.000 0.234 803 R C 2.056 178.385 176.300 0.049 0.000 1.123 803 R CA 1.380 57.500 56.100 0.034 0.000 0.975 803 R CB -0.209 30.092 30.300 0.002 0.000 0.866 803 R HN 0.436 nan 8.270 nan 0.000 0.446 804 N N -0.265 118.457 118.700 0.037 0.000 2.109 804 N HA -0.091 4.645 4.740 -0.006 0.000 0.188 804 N C 1.787 177.357 175.510 0.099 0.000 1.034 804 N CA 1.484 54.581 53.050 0.078 0.000 0.846 804 N CB -0.024 38.483 38.487 0.035 0.000 1.010 804 N HN 0.167 nan 8.380 nan 0.000 0.425 805 I N 1.659 122.275 120.570 0.077 0.000 2.208 805 I HA -0.246 3.920 4.170 -0.006 0.000 0.245 805 I C 2.454 178.626 176.117 0.091 0.000 1.097 805 I CA 0.923 62.275 61.300 0.087 0.000 1.363 805 I CB -0.348 37.696 38.000 0.073 0.000 1.051 805 I HN 0.093 nan 8.210 nan 0.000 0.413 806 A N -0.771 122.102 122.820 0.088 0.000 2.070 806 A HA -0.202 4.114 4.320 -0.006 0.000 0.220 806 A C 2.247 179.871 177.584 0.067 0.000 1.159 806 A CA 2.196 54.277 52.037 0.073 0.000 0.656 806 A CB -0.616 18.430 19.000 0.077 0.000 0.800 806 A HN 0.412 nan 8.150 nan 0.000 0.453 807 T N -0.973 113.634 114.554 0.088 0.000 3.174 807 T HA 0.152 4.498 4.350 -0.006 0.000 0.269 807 T C 1.283 176.076 174.700 0.155 0.000 1.017 807 T CA 0.761 62.917 62.100 0.093 0.000 0.899 807 T CB -0.613 68.309 68.868 0.090 0.000 1.077 807 T HN 0.536 nan 8.240 nan 0.000 0.552 808 S N -1.069 114.740 115.700 0.182 0.000 2.593 808 S HA 0.221 4.687 4.470 -0.006 0.000 0.217 808 S C 2.243 176.969 174.600 0.210 0.000 0.966 808 S CA 0.414 58.797 58.200 0.305 0.000 0.914 808 S CB -0.312 63.041 63.200 0.255 0.000 0.776 808 S HN 0.464 nan 8.310 nan 0.000 0.523 809 G N 2.829 111.676 108.800 0.079 0.000 2.469 809 G HA2 -0.308 3.648 3.960 -0.006 0.000 0.219 809 G HA3 -0.308 3.648 3.960 -0.006 0.000 0.219 809 G C 1.322 176.166 174.900 -0.093 0.000 1.150 809 G CA 1.087 46.198 45.100 0.019 0.000 0.763 809 G HN 0.617 nan 8.290 nan 0.000 0.561 810 K N -0.107 120.116 120.400 -0.295 0.000 2.281 810 K HA -0.035 4.281 4.320 -0.006 0.000 0.203 810 K C 1.208 177.444 176.600 -0.608 0.000 1.046 810 K CA 0.730 56.701 56.287 -0.527 0.000 0.938 810 K CB -0.278 31.739 32.500 -0.805 0.000 0.737 810 K HN 0.407 nan 8.250 nan 0.000 0.458 811 F N 1.013 120.992 119.950 0.048 0.000 2.663 811 F HA 0.128 4.651 4.527 -0.007 0.000 0.299 811 F C 0.777 176.622 175.800 0.076 0.000 1.143 811 F CA -0.565 57.471 58.000 0.059 0.000 1.387 811 F CB 0.360 39.392 39.000 0.053 0.000 1.019 811 F HN -0.108 nan 8.300 nan 0.000 0.523 812 S N 0.216 115.989 115.700 0.122 0.000 2.545 812 S HA 0.099 4.565 4.470 -0.006 0.000 0.275 812 S C 1.409 176.087 174.600 0.129 0.000 1.299 812 S CA -0.272 58.003 58.200 0.125 0.000 1.048 812 S CB 0.909 64.153 63.200 0.073 0.000 0.938 812 S HN 0.329 nan 8.310 nan 0.000 0.496 813 S N 3.154 118.956 115.700 0.170 0.000 2.507 813 S HA -0.069 4.397 4.470 -0.006 0.000 0.235 813 S C 0.891 175.542 174.600 0.085 0.000 0.988 813 S CA 0.648 58.968 58.200 0.200 0.000 0.944 813 S CB -0.326 63.065 63.200 0.318 0.000 0.762 813 S HN 0.788 nan 8.310 nan 0.000 0.526 814 D N 1.795 122.230 120.400 0.059 0.000 2.144 814 D HA -0.054 4.583 4.640 -0.006 0.000 0.200 814 D C 2.108 178.410 176.300 0.003 0.000 0.978 814 D CA 0.667 54.680 54.000 0.021 0.000 0.833 814 D CB -0.295 40.516 40.800 0.018 0.000 0.961 814 D HN 0.285 nan 8.370 nan 0.000 0.470 815 R N 0.907 121.411 120.500 0.006 0.000 2.066 815 R HA -0.075 4.261 4.340 -0.006 0.000 0.232 815 R C 1.841 178.130 176.300 -0.019 0.000 1.131 815 R CA 1.295 57.385 56.100 -0.018 0.000 0.955 815 R CB -0.766 29.509 30.300 -0.041 0.000 0.851 815 R HN 0.095 nan 8.270 nan 0.000 0.432 816 T N 2.264 116.828 114.554 0.017 0.000 2.652 816 T HA -0.119 4.227 4.350 -0.006 0.000 0.267 816 T C 1.919 176.618 174.700 -0.001 0.000 1.039 816 T CA 1.406 63.533 62.100 0.045 0.000 1.153 816 T CB -0.130 68.835 68.868 0.163 0.000 0.863 816 T HN 0.104 nan 8.240 nan 0.000 0.428 817 I N 1.635 122.127 120.570 -0.131 0.000 2.286 817 I HA -0.087 4.080 4.170 -0.006 0.000 0.248 817 I C 2.872 178.943 176.117 -0.076 0.000 1.115 817 I CA 0.889 62.077 61.300 -0.186 0.000 1.392 817 I CB -1.579 36.314 38.000 -0.178 0.000 1.065 817 I HN 0.195 nan 8.210 nan 0.000 0.418 818 A N 0.113 122.906 122.820 -0.045 0.000 1.972 818 A HA -0.214 4.103 4.320 -0.006 0.000 0.219 818 A C 2.234 179.774 177.584 -0.073 0.000 1.169 818 A CA 1.261 53.279 52.037 -0.031 0.000 0.635 818 A CB -0.461 18.527 19.000 -0.021 0.000 0.810 818 A HN 0.510 nan 8.150 nan 0.000 0.446 819 Q N -1.963 117.774 119.800 -0.105 0.000 2.123 819 Q HA -0.124 4.213 4.340 -0.006 0.000 0.199 819 Q C 1.851 177.677 176.000 -0.290 0.000 0.966 819 Q CA 1.400 57.100 55.803 -0.171 0.000 0.845 819 Q CB -0.260 28.369 28.738 -0.182 0.000 0.907 819 Q HN 0.818 nan 8.270 nan 0.000 0.439 820 Y N 0.702 120.704 120.300 -0.496 0.000 2.181 820 Y HA -0.262 4.284 4.550 -0.006 0.000 0.288 820 Y C 2.471 177.775 175.900 -0.994 0.000 1.146 820 Y CA 1.255 58.801 58.100 -0.924 0.000 1.164 820 Y CB -0.366 37.233 38.460 -1.436 0.000 0.982 820 Y HN 0.149 nan 8.280 nan 0.000 0.515 821 A N 0.391 122.969 122.820 -0.403 0.000 1.865 821 A HA -0.226 4.090 4.320 -0.006 0.000 0.217 821 A C 2.256 179.852 177.584 0.018 0.000 1.191 821 A CA 2.061 54.116 52.037 0.029 0.000 0.623 821 A CB -0.564 18.531 19.000 0.158 0.000 0.826 821 A HN 0.413 nan 8.150 nan 0.000 0.444 822 R N -0.566 119.908 120.500 -0.043 0.000 2.093 822 R HA -0.038 4.298 4.340 -0.006 0.000 0.224 822 R C 1.787 178.062 176.300 -0.041 0.000 1.101 822 R CA 1.436 57.523 56.100 -0.022 0.000 0.979 822 R CB -0.217 30.066 30.300 -0.028 0.000 0.877 822 R HN 0.677 nan 8.270 nan 0.000 0.441 823 E N -0.351 119.782 120.200 -0.111 0.000 2.447 823 E HA 0.087 4.433 4.350 -0.006 0.000 0.195 823 E C 1.459 178.003 176.600 -0.094 0.000 1.028 823 E CA 0.464 56.801 56.400 -0.104 0.000 0.876 823 E CB 0.509 30.119 29.700 -0.150 0.000 0.885 823 E HN 0.323 nan 8.360 nan 0.000 0.500 824 I N -1.147 119.332 120.570 -0.152 0.000 3.739 824 I HA 0.022 4.188 4.170 -0.006 0.000 0.272 824 I C 1.272 177.520 176.117 0.219 0.000 1.167 824 I CA -0.072 61.195 61.300 -0.055 0.000 1.386 824 I CB 0.267 38.086 38.000 -0.300 0.000 1.490 824 I HN 0.111 nan 8.210 nan 0.000 0.452 825 W N 1.649 123.044 121.300 0.159 0.000 2.770 825 W HA 0.324 4.981 4.660 -0.006 0.000 0.256 825 W C 1.447 178.007 176.519 0.068 0.000 1.291 825 W CA 0.768 58.189 57.345 0.126 0.000 1.396 825 W CB -1.099 28.423 29.460 0.104 0.000 1.114 825 W HN 0.313 nan 8.180 nan 0.000 0.637 826 G N 1.320 110.261 108.800 0.236 0.000 2.298 826 G HA2 -0.080 3.876 3.960 -0.006 0.000 0.287 826 G HA3 -0.080 3.876 3.960 -0.006 0.000 0.287 826 G C -0.366 174.611 174.900 0.128 0.000 1.075 826 G CA 0.252 45.434 45.100 0.137 0.000 0.960 826 G HN 0.486 nan 8.290 nan 0.000 0.502 827 V N -4.241 115.766 119.914 0.154 0.000 2.971 827 V HA 0.891 5.007 4.120 -0.006 0.000 0.309 827 V C -0.436 175.720 176.094 0.104 0.000 1.130 827 V CA -1.666 60.707 62.300 0.122 0.000 0.964 827 V CB 2.344 34.251 31.823 0.140 0.000 1.029 827 V HN 0.149 nan 8.190 nan 0.000 0.427 828 E N 4.242 124.486 120.200 0.073 0.000 2.174 828 E HA 0.506 4.853 4.350 -0.006 0.000 0.282 828 E C -2.457 174.182 176.600 0.065 0.000 0.992 828 E CA -1.702 54.734 56.400 0.060 0.000 0.803 828 E CB 1.839 31.566 29.700 0.045 0.000 1.090 828 E HN 0.780 nan 8.360 nan 0.000 0.396 829 P HA 0.099 nan 4.420 nan 0.000 0.272 829 P C -0.477 176.855 177.300 0.053 0.000 1.230 829 P CA -0.325 62.812 63.100 0.062 0.000 0.788 829 P CB 1.039 32.770 31.700 0.052 0.000 0.949 830 S N 0.708 116.442 115.700 0.057 0.000 2.547 830 S HA 0.370 4.836 4.470 -0.006 0.000 0.281 830 S C 0.262 174.891 174.600 0.048 0.000 1.118 830 S CA -0.750 57.482 58.200 0.053 0.000 0.947 830 S CB 0.996 64.236 63.200 0.066 0.000 1.053 830 S HN 0.292 nan 8.310 nan 0.000 0.482 831 R N 2.431 122.954 120.500 0.038 0.000 2.552 831 R HA 0.220 4.556 4.340 -0.006 0.000 0.314 831 R C -0.332 175.982 176.300 0.024 0.000 1.041 831 R CA -0.040 56.081 56.100 0.034 0.000 1.076 831 R CB 0.353 30.673 30.300 0.033 0.000 1.290 831 R HN 0.662 nan 8.270 nan 0.000 0.563 832 Q N 1.070 120.884 119.800 0.023 0.000 2.288 832 Q HA 0.190 4.526 4.340 -0.006 0.000 0.258 832 Q C -0.348 175.646 176.000 -0.009 0.000 0.957 832 Q CA -0.308 55.501 55.803 0.009 0.000 0.919 832 Q CB 1.163 29.910 28.738 0.016 0.000 1.185 832 Q HN -0.235 nan 8.270 nan 0.000 0.408 833 R N 1.429 121.915 120.500 -0.024 0.000 2.570 833 R HA 0.077 4.414 4.340 -0.006 0.000 0.277 833 R C -0.517 175.742 176.300 -0.067 0.000 1.039 833 R CA -0.202 55.871 56.100 -0.045 0.000 1.065 833 R CB 0.067 30.338 30.300 -0.048 0.000 0.964 833 R HN 0.423 nan 8.270 nan 0.000 0.428 834 L N 5.719 126.887 121.223 -0.092 0.000 2.417 834 L HA 0.287 4.623 4.340 -0.006 0.000 0.268 834 L C -1.712 175.084 176.870 -0.122 0.000 1.158 834 L CA -1.946 52.800 54.840 -0.156 0.000 0.819 834 L CB 0.621 42.570 42.059 -0.184 0.000 1.112 834 L HN 0.611 nan 8.230 nan 0.000 0.458 835 P HA 0.016 nan 4.420 nan 0.000 0.221 835 P C 0.076 177.339 177.300 -0.061 0.000 1.287 835 P CA 0.668 63.718 63.100 -0.083 0.000 1.317 835 P CB -0.616 31.036 31.700 -0.080 0.000 1.721 836 A N 0.000 122.789 122.820 -0.052 0.000 2.254 836 A HA 0.000 4.316 4.320 -0.006 0.000 0.244 836 A CA 0.000 52.016 52.037 -0.034 0.000 0.836 836 A CB 0.000 18.987 19.000 -0.022 0.000 0.831 836 A HN 0.000 nan 8.150 nan 0.000 0.486