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 1fu7_1_A DATA FIRST_RESID 13 DATA SEQUENCE ISVRGLAGVE NVTELKKNFN RHLHFTLVKD RNVATPRDYY FALAHTVRDH DATA SEQUENCE LVGRWIRTQQ HYYEKDPKRI YYLSLEFYMG RTLQNTMVNL ALENACDEAT DATA SEQUENCE YQLGLDMEEL EEIEEDAGLG NGGLGRLAAC FLDSMATLGL AAYGYGIRYE DATA SEQUENCE FGIFNQKICG GWQMEEADDW LRYGNPWEKA RPEFTLPVHF YGRVEHTSQG DATA SEQUENCE AKWVDTQVVL AMPYDTPVPG YRNNVVNTMR LWSAKAPNDF NLKDFNVGGY DATA SEQUENCE IQAVLDRNLA ENISRVLYPN DNFFEGKELR LKQEYFVVAA TLQDIIRRFK DATA SEQUENCE SSKFGCRDPV RTNFDAFPDK VAIQLNDTHP SLAIPELMRV LVDLERLDWD DATA SEQUENCE KAWEVTVKTC AYTNHTVIPE ALERWPVHLL ETLLPRHLQI IYEINQRFLN DATA SEQUENCE RVAAAFPGDV DRLRRMSLVE EGAVKRINMA HLCIAGSHAV NGVARIHSEI DATA SEQUENCE LKKTIFKDFY ELEPHKFQNK TNGITPRRWL VLCNPGLAEI IAERIGEEYI DATA SEQUENCE SDLDQLRKLL SYVDDEAFIR DVAKVKQENK LKFAAYLERE YKVHINPNSL DATA SEQUENCE FDVQVKRIHE YKRQLLNCLH VITLYNRIKK EPNKFVVPRT VMIGGKAAPG DATA SEQUENCE YHMAKMIIKL ITAIGDVVNH DPVVGDRLRV IFLENYRVSL AEKVIPAADL DATA SEQUENCE SEQISTAGTE ASGTGNMKFM LNGALTIGTM DGANVEMAEE AGEENFFIFG DATA SEQUENCE MRVEDVDRLD QRGYNAQEYY DRIPELRQII EQLSSGFFSP KQPDLFKDIV DATA SEQUENCE NMLMHHDRFK VFADYEEYVK CQERVSALYK NPREWTRMVI RNIATSGKFS DATA SEQUENCE SDRTIAQYAR EIWGVEPSRQ RLPAPDEKIP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 13 I HA 0.000 nan 4.170 nan 0.000 0.288 13 I C 0.000 176.106 176.117 -0.018 0.000 1.063 13 I CA 0.000 61.280 61.300 -0.033 0.000 1.566 13 I CB 0.000 37.971 38.000 -0.048 0.000 1.214 14 S N -0.427 115.267 115.700 -0.010 0.000 2.616 14 S HA 0.164 4.626 4.470 -0.014 0.000 0.272 14 S C -1.572 173.031 174.600 0.005 0.000 0.994 14 S CA 0.117 58.319 58.200 0.002 0.000 1.002 14 S CB 0.889 64.091 63.200 0.003 0.000 1.269 14 S HN 0.142 nan 8.310 nan 0.000 0.466 15 V N 4.075 123.999 119.914 0.015 0.000 3.021 15 V HA 0.382 4.494 4.120 -0.014 0.000 0.385 15 V C 0.896 176.997 176.094 0.012 0.000 1.303 15 V CA -0.045 62.264 62.300 0.015 0.000 1.471 15 V CB -0.906 30.934 31.823 0.028 0.000 1.419 15 V HN 0.582 nan 8.190 nan 0.000 0.551 16 R N 1.774 122.275 120.500 0.002 0.000 2.547 16 R HA 0.406 4.738 4.340 -0.014 0.000 0.258 16 R C 0.930 177.222 176.300 -0.014 0.000 1.115 16 R CA 0.583 56.681 56.100 -0.002 0.000 1.152 16 R CB -0.096 30.199 30.300 -0.008 0.000 1.221 16 R HN 0.675 nan 8.270 nan 0.000 0.539 17 G N 0.660 109.451 108.800 -0.014 0.000 2.610 17 G HA2 -0.206 3.746 3.960 -0.014 0.000 0.304 17 G HA3 -0.206 3.746 3.960 -0.014 0.000 0.304 17 G C -1.124 173.762 174.900 -0.025 0.000 1.309 17 G CA -1.049 44.035 45.100 -0.027 0.000 0.906 17 G HN 0.041 nan 8.290 nan 0.000 0.521 18 L N 0.557 121.763 121.223 -0.028 0.000 2.325 18 L HA 0.730 5.062 4.340 -0.014 0.000 0.279 18 L C 1.262 178.117 176.870 -0.025 0.000 1.054 18 L CA 0.064 54.890 54.840 -0.024 0.000 0.804 18 L CB 1.216 43.262 42.059 -0.021 0.000 1.200 18 L HN 1.544 nan 8.230 nan 0.000 0.436 19 A N 2.555 125.362 122.820 -0.021 0.000 3.245 19 A HA 0.555 4.867 4.320 -0.014 0.000 0.282 19 A C 0.829 178.406 177.584 -0.011 0.000 1.417 19 A CA -0.278 51.747 52.037 -0.019 0.000 1.149 19 A CB -0.782 18.204 19.000 -0.023 0.000 1.155 19 A HN 0.789 nan 8.150 nan 0.000 0.602 20 G N -0.298 108.496 108.800 -0.010 0.000 2.474 20 G HA2 0.280 4.232 3.960 -0.014 0.000 0.233 20 G HA3 0.280 4.232 3.960 -0.014 0.000 0.233 20 G C 1.027 175.929 174.900 0.004 0.000 1.278 20 G CA 0.095 45.193 45.100 -0.003 0.000 0.861 20 G HN 0.419 nan 8.290 nan 0.000 0.567 21 V N 1.913 121.831 119.914 0.006 0.000 2.261 21 V HA -0.161 3.951 4.120 -0.014 0.000 0.246 21 V C 2.686 178.790 176.094 0.016 0.000 1.047 21 V CA 2.402 64.709 62.300 0.011 0.000 1.015 21 V CB -0.735 31.094 31.823 0.009 0.000 0.642 21 V HN 0.776 nan 8.190 nan 0.000 0.446 22 E N 0.332 120.542 120.200 0.017 0.000 2.077 22 E HA -0.183 4.158 4.350 -0.014 0.000 0.193 22 E C 2.069 178.690 176.600 0.034 0.000 0.989 22 E CA 1.545 57.960 56.400 0.024 0.000 0.800 22 E CB -0.294 29.420 29.700 0.023 0.000 0.746 22 E HN 0.636 nan 8.360 nan 0.000 0.452 23 N N -1.154 117.565 118.700 0.032 0.000 2.270 23 N HA -0.092 4.640 4.740 -0.014 0.000 0.181 23 N C 1.421 176.956 175.510 0.041 0.000 1.016 23 N CA 0.599 53.675 53.050 0.042 0.000 0.870 23 N CB 0.273 38.773 38.487 0.023 0.000 0.979 23 N HN -0.042 nan 8.380 nan 0.000 0.431 24 V N -0.011 119.919 119.914 0.027 0.000 2.427 24 V HA -0.178 3.933 4.120 -0.014 0.000 0.248 24 V C 1.932 178.048 176.094 0.036 0.000 1.051 24 V CA 1.660 63.975 62.300 0.025 0.000 1.048 24 V CB -0.654 31.180 31.823 0.017 0.000 0.666 24 V HN 0.405 nan 8.190 nan 0.000 0.456 25 T N -0.374 114.202 114.554 0.037 0.000 2.737 25 T HA -0.208 4.134 4.350 -0.014 0.000 0.265 25 T C 1.900 176.635 174.700 0.058 0.000 1.038 25 T CA 1.725 63.849 62.100 0.040 0.000 1.144 25 T CB -0.172 68.716 68.868 0.033 0.000 0.866 25 T HN 0.505 nan 8.240 nan 0.000 0.434 26 E N 0.747 120.988 120.200 0.068 0.000 2.077 26 E HA -0.098 4.244 4.350 -0.014 0.000 0.193 26 E C 1.921 178.599 176.600 0.130 0.000 0.989 26 E CA 0.763 57.218 56.400 0.091 0.000 0.800 26 E CB -0.469 29.292 29.700 0.102 0.000 0.746 26 E HN 0.157 nan 8.360 nan 0.000 0.452 27 L N 0.969 122.274 121.223 0.136 0.000 1.994 27 L HA -0.137 4.195 4.340 -0.014 0.000 0.208 27 L C 2.162 179.143 176.870 0.185 0.000 1.071 27 L CA 1.876 56.822 54.840 0.177 0.000 0.745 27 L CB -0.936 41.194 42.059 0.118 0.000 0.892 27 L HN 0.102 nan 8.230 nan 0.000 0.431 28 K N -0.067 120.402 120.400 0.115 0.000 2.020 28 K HA -0.247 4.065 4.320 -0.014 0.000 0.212 28 K C 1.959 178.671 176.600 0.185 0.000 1.050 28 K CA 2.183 58.535 56.287 0.107 0.000 0.929 28 K CB -0.176 32.346 32.500 0.037 0.000 0.714 28 K HN 0.438 nan 8.250 nan 0.000 0.443 29 K N 0.292 120.775 120.400 0.138 0.000 2.097 29 K HA -0.074 4.238 4.320 -0.014 0.000 0.206 29 K C 1.714 178.402 176.600 0.148 0.000 1.049 29 K CA 1.394 57.757 56.287 0.127 0.000 0.933 29 K CB -0.199 32.349 32.500 0.079 0.000 0.717 29 K HN 0.084 nan 8.250 nan 0.000 0.442 30 N N 0.614 119.412 118.700 0.164 0.000 2.188 30 N HA -0.114 4.618 4.740 -0.014 0.000 0.184 30 N C 1.658 177.319 175.510 0.252 0.000 1.018 30 N CA 1.007 54.145 53.050 0.146 0.000 0.858 30 N CB -0.215 38.375 38.487 0.172 0.000 0.989 30 N HN 0.189 nan 8.380 nan 0.000 0.426 31 F N 2.691 122.744 119.950 0.172 0.000 2.126 31 F HA -0.128 4.391 4.527 -0.013 0.000 0.299 31 F C 2.033 177.946 175.800 0.188 0.000 1.096 31 F CA 1.343 59.463 58.000 0.201 0.000 1.255 31 F CB -0.170 38.919 39.000 0.148 0.000 0.997 31 F HN -0.022 nan 8.300 nan 0.000 0.479 32 N N 0.339 119.252 118.700 0.356 0.000 2.216 32 N HA -0.142 4.589 4.740 -0.014 0.000 0.183 32 N C 2.098 177.687 175.510 0.131 0.000 1.017 32 N CA 0.730 53.913 53.050 0.222 0.000 0.861 32 N CB -0.472 38.138 38.487 0.205 0.000 0.986 32 N HN 0.324 nan 8.380 nan 0.000 0.428 33 R N 0.703 121.278 120.500 0.125 0.000 2.097 33 R HA -0.136 4.196 4.340 -0.014 0.000 0.236 33 R C 1.847 178.231 176.300 0.141 0.000 1.135 33 R CA 1.625 57.823 56.100 0.162 0.000 0.934 33 R CB -0.545 29.734 30.300 -0.035 0.000 0.846 33 R HN 0.458 nan 8.270 nan 0.000 0.431 34 H N -0.258 118.860 119.070 0.079 0.000 2.387 34 H HA -0.153 4.395 4.556 -0.014 0.000 0.299 34 H C 1.889 177.157 175.328 -0.100 0.000 1.090 34 H CA 1.434 57.461 56.048 -0.035 0.000 1.332 34 H CB -0.032 29.673 29.762 -0.095 0.000 1.386 34 H HN 0.095 nan 8.280 nan 0.000 0.516 35 L N -0.016 121.193 121.223 -0.024 0.000 2.079 35 L HA -0.195 4.136 4.340 -0.014 0.000 0.210 35 L C 2.155 179.005 176.870 -0.034 0.000 1.081 35 L CA 1.885 56.673 54.840 -0.087 0.000 0.752 35 L CB -0.478 41.523 42.059 -0.096 0.000 0.896 35 L HN 0.294 nan 8.230 nan 0.000 0.433 36 H N -1.710 117.280 119.070 -0.132 0.000 2.273 36 H HA -0.035 4.513 4.556 -0.014 0.000 0.311 36 H C 1.847 176.970 175.328 -0.343 0.000 1.057 36 H CA 2.184 58.059 56.048 -0.288 0.000 1.360 36 H CB -0.358 29.136 29.762 -0.446 0.000 1.414 36 H HN 0.264 nan 8.280 nan 0.000 0.516 37 F N -0.239 119.711 119.950 -0.001 0.000 2.259 37 F HA -0.070 4.449 4.527 -0.014 0.000 0.298 37 F C 2.546 178.276 175.800 -0.117 0.000 1.088 37 F CA 1.515 59.461 58.000 -0.089 0.000 1.358 37 F CB -0.393 38.581 39.000 -0.042 0.000 1.040 37 F HN 0.206 nan 8.300 nan 0.000 0.505 38 T N -0.651 113.935 114.554 0.054 0.000 2.983 38 T HA 0.040 4.381 4.350 -0.014 0.000 0.250 38 T C 1.681 176.287 174.700 -0.156 0.000 1.037 38 T CA 0.581 62.639 62.100 -0.071 0.000 1.142 38 T CB -0.159 68.631 68.868 -0.129 0.000 0.876 38 T HN -0.045 nan 8.240 nan 0.000 0.455 39 L N 1.121 122.256 121.223 -0.148 0.000 2.446 39 L HA 0.278 4.610 4.340 -0.014 0.000 0.219 39 L C 0.619 177.393 176.870 -0.160 0.000 1.116 39 L CA 0.351 55.092 54.840 -0.165 0.000 0.844 39 L CB -0.597 41.375 42.059 -0.145 0.000 0.970 39 L HN 0.044 nan 8.230 nan 0.000 0.457 40 V N 0.195 119.998 119.914 -0.184 0.000 6.016 40 V HA -0.299 3.813 4.120 -0.014 0.000 0.265 40 V C 0.459 176.441 176.094 -0.187 0.000 0.621 40 V CA 0.818 62.979 62.300 -0.232 0.000 0.592 40 V CB -2.111 29.599 31.823 -0.188 0.000 0.298 40 V HN 0.390 nan 8.190 nan 0.000 0.615 41 K N 1.383 121.684 120.400 -0.166 0.000 2.466 41 K HA 0.693 5.005 4.320 -0.014 0.000 0.260 41 K C -0.670 175.896 176.600 -0.057 0.000 1.011 41 K CA -0.564 55.657 56.287 -0.110 0.000 0.871 41 K CB 2.848 35.280 32.500 -0.113 0.000 1.404 41 K HN 0.619 nan 8.250 nan 0.000 0.450 42 D N 0.314 120.700 120.400 -0.023 0.000 2.738 42 D HA 0.269 4.901 4.640 -0.014 0.000 0.237 42 D C 0.555 176.881 176.300 0.042 0.000 1.123 42 D CA -0.590 53.430 54.000 0.034 0.000 0.856 42 D CB 1.576 42.395 40.800 0.032 0.000 1.552 42 D HN 0.183 nan 8.370 nan 0.000 0.480 43 R N 1.195 121.751 120.500 0.093 0.000 2.198 43 R HA -0.175 4.157 4.340 -0.014 0.000 0.258 43 R C 1.130 177.499 176.300 0.115 0.000 1.173 43 R CA 1.129 57.320 56.100 0.151 0.000 0.991 43 R CB -0.783 29.612 30.300 0.158 0.000 0.879 43 R HN 0.605 nan 8.270 nan 0.000 0.460 44 N N 0.502 119.241 118.700 0.065 0.000 2.512 44 N HA -0.065 4.667 4.740 -0.014 0.000 0.183 44 N C 1.285 176.813 175.510 0.030 0.000 1.073 44 N CA 1.293 54.373 53.050 0.049 0.000 0.911 44 N CB 0.436 38.943 38.487 0.033 0.000 0.964 44 N HN 0.214 nan 8.380 nan 0.000 0.447 45 V N -3.257 116.662 119.914 0.008 0.000 3.382 45 V HA 0.451 4.563 4.120 -0.014 0.000 0.296 45 V C 0.698 176.758 176.094 -0.055 0.000 1.529 45 V CA -0.609 61.683 62.300 -0.014 0.000 1.048 45 V CB -0.140 31.670 31.823 -0.022 0.000 0.878 45 V HN 0.015 nan 8.190 nan 0.000 0.442 46 A N 2.185 124.946 122.820 -0.099 0.000 2.477 46 A HA 0.601 4.913 4.320 -0.014 0.000 0.246 46 A C 0.711 178.112 177.584 -0.305 0.000 1.078 46 A CA 0.873 52.734 52.037 -0.293 0.000 0.770 46 A CB -0.033 18.653 19.000 -0.523 0.000 1.011 46 A HN 0.779 nan 8.150 nan 0.000 0.494 47 T N 0.039 114.425 114.554 -0.281 0.000 2.949 47 T HA 0.603 4.945 4.350 -0.014 0.000 0.287 47 T C -2.165 172.484 174.700 -0.085 0.000 1.034 47 T CA -1.819 60.219 62.100 -0.104 0.000 1.018 47 T CB 1.325 70.183 68.868 -0.017 0.000 1.135 47 T HN 0.227 nan 8.240 nan 0.000 0.532 48 P HA -0.106 nan 4.420 nan 0.000 0.216 48 P C 1.577 179.005 177.300 0.214 0.000 1.150 48 P CA 1.019 64.278 63.100 0.266 0.000 0.843 48 P CB 0.042 31.852 31.700 0.182 0.000 0.787 49 R N -0.086 120.489 120.500 0.126 0.000 2.096 49 R HA -0.136 4.195 4.340 -0.014 0.000 0.235 49 R C 1.677 178.164 176.300 0.313 0.000 1.127 49 R CA 1.772 57.983 56.100 0.185 0.000 0.968 49 R CB -0.665 29.693 30.300 0.097 0.000 0.861 49 R HN 0.086 nan 8.270 nan 0.000 0.440 50 D N -0.310 120.160 120.400 0.117 0.000 2.097 50 D HA -0.183 4.449 4.640 -0.014 0.000 0.195 50 D C 1.748 178.076 176.300 0.046 0.000 0.989 50 D CA 1.312 55.331 54.000 0.031 0.000 0.827 50 D CB -0.387 40.277 40.800 -0.227 0.000 0.966 50 D HN 0.284 nan 8.370 nan 0.000 0.456 51 Y N 0.147 120.555 120.300 0.181 0.000 2.224 51 Y HA -0.217 4.325 4.550 -0.013 0.000 0.289 51 Y C 2.328 178.367 175.900 0.231 0.000 1.146 51 Y CA 0.398 58.645 58.100 0.245 0.000 1.182 51 Y CB -1.077 37.585 38.460 0.336 0.000 0.983 51 Y HN 0.111 nan 8.280 nan 0.000 0.524 52 Y N -0.684 119.761 120.300 0.243 0.000 2.181 52 Y HA -0.251 4.291 4.550 -0.014 0.000 0.288 52 Y C 1.934 177.809 175.900 -0.041 0.000 1.146 52 Y CA 1.158 59.297 58.100 0.065 0.000 1.164 52 Y CB -1.126 37.264 38.460 -0.116 0.000 0.982 52 Y HN 0.050 nan 8.280 nan 0.000 0.515 53 F N 0.253 119.952 119.950 -0.417 0.000 2.186 53 F HA -0.116 4.404 4.527 -0.013 0.000 0.299 53 F C 2.660 178.282 175.800 -0.297 0.000 1.090 53 F CA 1.287 58.989 58.000 -0.497 0.000 1.307 53 F CB -0.792 38.106 39.000 -0.170 0.000 1.019 53 F HN 0.197 nan 8.300 nan 0.000 0.489 54 A N -0.022 122.747 122.820 -0.086 0.000 1.883 54 A HA -0.211 4.100 4.320 -0.014 0.000 0.217 54 A C 2.067 179.561 177.584 -0.150 0.000 1.186 54 A CA 1.766 53.642 52.037 -0.268 0.000 0.624 54 A CB -1.096 17.386 19.000 -0.863 0.000 0.822 54 A HN 0.355 nan 8.150 nan 0.000 0.444 55 L N -0.241 120.998 121.223 0.027 0.000 1.994 55 L HA -0.053 4.279 4.340 -0.014 0.000 0.208 55 L C 2.726 179.598 176.870 0.004 0.000 1.071 55 L CA 2.310 57.290 54.840 0.232 0.000 0.745 55 L CB -0.961 41.293 42.059 0.326 0.000 0.892 55 L HN 0.360 nan 8.230 nan 0.000 0.431 56 A N -1.149 121.498 122.820 -0.289 0.000 1.892 56 A HA -0.331 3.981 4.320 -0.014 0.000 0.218 56 A C 2.176 179.445 177.584 -0.525 0.000 1.188 56 A CA 2.271 54.025 52.037 -0.472 0.000 0.631 56 A CB -1.243 17.139 19.000 -1.030 0.000 0.822 56 A HN 0.713 nan 8.150 nan 0.000 0.447 57 H N -0.969 117.813 119.070 -0.480 0.000 2.387 57 H HA -0.052 4.496 4.556 -0.014 0.000 0.299 57 H C 2.359 177.445 175.328 -0.403 0.000 1.090 57 H CA 1.938 57.629 56.048 -0.595 0.000 1.332 57 H CB -0.108 29.043 29.762 -1.020 0.000 1.386 57 H HN 0.493 nan 8.280 nan 0.000 0.516 58 T N -0.422 114.113 114.554 -0.032 0.000 2.737 58 T HA -0.128 4.213 4.350 -0.014 0.000 0.265 58 T C 2.256 177.139 174.700 0.306 0.000 1.038 58 T CA 1.320 63.578 62.100 0.263 0.000 1.144 58 T CB -0.391 68.692 68.868 0.358 0.000 0.866 58 T HN 0.095 nan 8.240 nan 0.000 0.434 59 V N 1.708 121.771 119.914 0.247 0.000 2.427 59 V HA -0.126 3.986 4.120 -0.014 0.000 0.248 59 V C 2.628 178.917 176.094 0.326 0.000 1.051 59 V CA 1.570 64.055 62.300 0.309 0.000 1.048 59 V CB -0.644 31.355 31.823 0.292 0.000 0.666 59 V HN 0.384 nan 8.190 nan 0.000 0.456 60 R N 0.127 120.770 120.500 0.238 0.000 2.120 60 R HA -0.206 4.126 4.340 -0.014 0.000 0.234 60 R C 1.914 178.329 176.300 0.192 0.000 1.123 60 R CA 1.906 58.150 56.100 0.240 0.000 0.975 60 R CB -0.393 29.891 30.300 -0.026 0.000 0.866 60 R HN 0.466 nan 8.270 nan 0.000 0.446 61 D N 0.063 120.557 120.400 0.158 0.000 2.123 61 D HA -0.166 4.466 4.640 -0.014 0.000 0.196 61 D C 1.697 178.014 176.300 0.028 0.000 0.992 61 D CA 1.133 55.188 54.000 0.092 0.000 0.833 61 D CB -0.400 40.436 40.800 0.061 0.000 0.954 61 D HN 0.444 nan 8.370 nan 0.000 0.455 62 H N -0.140 119.003 119.070 0.121 0.000 2.518 62 H HA -0.025 4.523 4.556 -0.013 0.000 0.289 62 H C 1.899 177.275 175.328 0.081 0.000 1.051 62 H CA 0.660 56.762 56.048 0.091 0.000 1.280 62 H CB 0.306 30.113 29.762 0.075 0.000 1.380 62 H HN 0.278 nan 8.280 nan 0.000 0.566 63 L N -1.606 119.729 121.223 0.187 0.000 2.766 63 L HA 0.182 4.513 4.340 -0.014 0.000 0.242 63 L C 1.834 178.824 176.870 0.200 0.000 1.136 63 L CA -0.031 54.893 54.840 0.139 0.000 0.933 63 L CB 0.018 42.115 42.059 0.064 0.000 1.241 63 L HN -0.125 nan 8.230 nan 0.000 0.522 64 V N -2.248 117.800 119.914 0.225 0.000 2.488 64 V HA 0.119 4.231 4.120 -0.014 0.000 0.246 64 V C 2.523 178.738 176.094 0.201 0.000 1.046 64 V CA 1.489 63.968 62.300 0.299 0.000 1.053 64 V CB -1.630 30.326 31.823 0.221 0.000 0.679 64 V HN 0.344 nan 8.190 nan 0.000 0.458 65 G N 0.287 109.160 108.800 0.122 0.000 2.446 65 G HA2 -0.245 3.707 3.960 -0.014 0.000 0.217 65 G HA3 -0.245 3.707 3.960 -0.014 0.000 0.217 65 G C 1.809 176.759 174.900 0.083 0.000 1.168 65 G CA 1.058 46.203 45.100 0.075 0.000 0.771 65 G HN 0.487 nan 8.290 nan 0.000 0.551 66 R N -1.460 119.100 120.500 0.100 0.000 2.075 66 R HA -0.065 4.267 4.340 -0.014 0.000 0.232 66 R C 2.266 178.650 176.300 0.141 0.000 1.126 66 R CA 1.064 57.211 56.100 0.078 0.000 0.963 66 R CB -0.367 29.964 30.300 0.050 0.000 0.858 66 R HN 0.480 nan 8.270 nan 0.000 0.435 67 W N 1.514 122.798 121.300 -0.027 0.000 2.335 67 W HA -0.131 4.521 4.660 -0.013 0.000 0.311 67 W C 1.663 178.159 176.519 -0.039 0.000 1.213 67 W CA 1.100 58.427 57.345 -0.030 0.000 1.274 67 W CB -0.599 28.863 29.460 0.003 0.000 1.148 67 W HN -0.002 nan 8.180 nan 0.000 0.498 68 I N 0.769 121.391 120.570 0.087 0.000 2.252 68 I HA -0.329 3.833 4.170 -0.014 0.000 0.245 68 I C 2.597 178.698 176.117 -0.027 0.000 1.102 68 I CA 1.697 62.966 61.300 -0.052 0.000 1.385 68 I CB -0.455 37.520 38.000 -0.043 0.000 1.064 68 I HN -0.050 nan 8.210 nan 0.000 0.414 69 R N -0.183 120.317 120.500 -0.001 0.000 2.115 69 R HA -0.036 4.296 4.340 -0.014 0.000 0.226 69 R C 2.072 178.339 176.300 -0.055 0.000 1.100 69 R CA 1.529 57.622 56.100 -0.011 0.000 0.980 69 R CB -1.161 29.134 30.300 -0.009 0.000 0.875 69 R HN 0.242 nan 8.270 nan 0.000 0.445 70 T N 1.669 116.160 114.554 -0.104 0.000 2.674 70 T HA -0.119 4.223 4.350 -0.014 0.000 0.265 70 T C 1.878 176.307 174.700 -0.451 0.000 1.039 70 T CA 1.243 63.156 62.100 -0.312 0.000 1.150 70 T CB -0.118 68.609 68.868 -0.234 0.000 0.864 70 T HN 0.176 nan 8.240 nan 0.000 0.427 71 Q N 0.811 120.505 119.800 -0.177 0.000 2.084 71 Q HA -0.103 4.228 4.340 -0.014 0.000 0.202 71 Q C 2.375 178.404 176.000 0.047 0.000 0.978 71 Q CA 1.395 57.177 55.803 -0.034 0.000 0.844 71 Q CB -0.609 28.125 28.738 -0.007 0.000 0.898 71 Q HN 0.482 nan 8.270 nan 0.000 0.426 72 Q N 0.118 119.932 119.800 0.022 0.000 2.084 72 Q HA -0.187 4.144 4.340 -0.014 0.000 0.202 72 Q C 1.902 178.000 176.000 0.163 0.000 0.978 72 Q CA 2.061 57.921 55.803 0.096 0.000 0.844 72 Q CB -0.475 28.296 28.738 0.054 0.000 0.898 72 Q HN 0.585 nan 8.270 nan 0.000 0.426 73 H N -0.959 118.097 119.070 -0.024 0.000 2.290 73 H HA -0.192 4.356 4.556 -0.013 0.000 0.298 73 H C 1.204 176.609 175.328 0.128 0.000 1.087 73 H CA 2.393 58.436 56.048 -0.008 0.000 1.291 73 H CB -0.359 29.322 29.762 -0.135 0.000 1.369 73 H HN 0.362 nan 8.280 nan 0.000 0.492 74 Y N -1.062 119.345 120.300 0.178 0.000 2.384 74 Y HA -0.193 4.349 4.550 -0.014 0.000 0.289 74 Y C 2.296 178.252 175.900 0.095 0.000 1.152 74 Y CA 0.976 59.144 58.100 0.113 0.000 1.258 74 Y CB -1.150 37.411 38.460 0.170 0.000 0.979 74 Y HN 0.425 nan 8.280 nan 0.000 0.549 75 Y N 0.863 121.260 120.300 0.162 0.000 2.286 75 Y HA -0.077 4.464 4.550 -0.014 0.000 0.293 75 Y C 2.014 177.932 175.900 0.030 0.000 1.124 75 Y CA 1.236 59.392 58.100 0.093 0.000 1.178 75 Y CB -0.014 38.486 38.460 0.067 0.000 1.010 75 Y HN 0.004 nan 8.280 nan 0.000 0.536 76 E N 0.437 120.577 120.200 -0.099 0.000 2.008 76 E HA -0.150 4.192 4.350 -0.014 0.000 0.191 76 E C 1.986 178.453 176.600 -0.222 0.000 0.986 76 E CA 1.114 57.393 56.400 -0.203 0.000 0.807 76 E CB -0.228 29.410 29.700 -0.103 0.000 0.766 76 E HN 0.305 nan 8.360 nan 0.000 0.450 77 K N 0.858 121.118 120.400 -0.233 0.000 2.097 77 K HA -0.129 4.183 4.320 -0.014 0.000 0.206 77 K C 0.294 176.834 176.600 -0.099 0.000 1.049 77 K CA 0.867 57.044 56.287 -0.184 0.000 0.933 77 K CB -0.611 31.734 32.500 -0.258 0.000 0.717 77 K HN 0.165 nan 8.250 nan 0.000 0.442 78 D N 0.118 120.480 120.400 -0.062 0.000 2.828 78 D HA -0.097 4.535 4.640 -0.014 0.000 0.241 78 D C -2.396 173.909 176.300 0.010 0.000 1.142 78 D CA 0.113 54.103 54.000 -0.017 0.000 0.755 78 D CB -0.235 40.532 40.800 -0.056 0.000 1.014 78 D HN 0.167 nan 8.370 nan 0.000 0.420 79 P HA 0.191 nan 4.420 nan 0.000 0.284 79 P C -0.297 176.985 177.300 -0.030 0.000 1.292 79 P CA -0.750 62.341 63.100 -0.014 0.000 0.800 79 P CB 0.627 32.306 31.700 -0.035 0.000 1.188 80 K N 0.829 121.207 120.400 -0.036 0.000 2.412 80 K HA 0.101 4.413 4.320 -0.014 0.000 0.281 80 K C -0.214 176.303 176.600 -0.138 0.000 1.027 80 K CA -0.097 56.155 56.287 -0.058 0.000 0.989 80 K CB 0.239 32.719 32.500 -0.034 0.000 0.935 80 K HN 0.228 nan 8.250 nan 0.000 0.475 81 R N 3.787 124.181 120.500 -0.178 0.000 2.312 81 R HA 0.346 4.678 4.340 -0.014 0.000 0.311 81 R C -0.575 175.425 176.300 -0.501 0.000 1.004 81 R CA -0.484 55.423 56.100 -0.321 0.000 0.902 81 R CB 0.872 30.984 30.300 -0.312 0.000 1.073 81 R HN 0.519 nan 8.270 nan 0.000 0.457 82 I N 4.496 124.735 120.570 -0.552 0.000 2.321 82 I HA 0.220 4.382 4.170 -0.014 0.000 0.291 82 I C -0.620 175.194 176.117 -0.506 0.000 0.998 82 I CA -0.725 60.199 61.300 -0.627 0.000 1.227 82 I CB 0.776 38.295 38.000 -0.802 0.000 1.368 82 I HN 0.524 nan 8.210 nan 0.000 0.466 83 Y N 5.811 126.066 120.300 -0.076 0.000 2.356 83 Y HA 0.286 4.828 4.550 -0.013 0.000 0.334 83 Y C -0.288 175.710 175.900 0.163 0.000 0.958 83 Y CA -0.775 57.401 58.100 0.126 0.000 1.196 83 Y CB 1.121 39.600 38.460 0.032 0.000 1.137 83 Y HN 0.397 nan 8.280 nan 0.000 0.485 84 Y N 4.623 125.116 120.300 0.321 0.000 2.518 84 Y HA 0.463 5.005 4.550 -0.013 0.000 0.344 84 Y C -1.187 174.991 175.900 0.463 0.000 0.982 84 Y CA -0.945 57.358 58.100 0.339 0.000 1.234 84 Y CB 0.206 38.876 38.460 0.349 0.000 1.114 84 Y HN 0.498 nan 8.280 nan 0.000 0.515 85 L N 4.965 126.252 121.223 0.107 0.000 2.265 85 L HA 0.480 4.812 4.340 -0.014 0.000 0.288 85 L C -0.139 176.746 176.870 0.025 0.000 1.058 85 L CA 0.086 55.038 54.840 0.186 0.000 0.809 85 L CB 1.289 43.418 42.059 0.117 0.000 1.179 85 L HN 0.576 nan 8.230 nan 0.000 0.429 86 S N 2.716 118.520 115.700 0.172 0.000 2.537 86 S HA 0.489 4.950 4.470 -0.014 0.000 0.270 86 S C 0.081 174.766 174.600 0.142 0.000 1.142 86 S CA -0.561 57.632 58.200 -0.012 0.000 0.870 86 S CB 0.993 63.960 63.200 -0.389 0.000 1.112 86 S HN 0.455 nan 8.310 nan 0.000 0.466 87 L N 2.606 123.943 121.223 0.191 0.000 2.591 87 L HA 0.485 4.817 4.340 -0.014 0.000 0.228 87 L C 0.355 177.399 176.870 0.289 0.000 1.133 87 L CA 0.930 55.943 54.840 0.288 0.000 0.880 87 L CB -0.161 42.071 42.059 0.288 0.000 1.033 87 L HN 0.686 nan 8.230 nan 0.000 0.450 88 E N -1.433 118.807 120.200 0.066 0.000 2.308 88 E HA 0.411 4.753 4.350 -0.014 0.000 0.275 88 E C -1.413 175.040 176.600 -0.244 0.000 0.890 88 E CA -0.450 55.974 56.400 0.039 0.000 0.754 88 E CB 1.915 31.621 29.700 0.010 0.000 1.207 88 E HN -0.164 nan 8.360 nan 0.000 0.426 89 F N 2.201 122.246 119.950 0.159 0.000 3.090 89 F HA 0.164 4.682 4.527 -0.014 0.000 0.381 89 F C -0.933 174.949 175.800 0.136 0.000 1.231 89 F CA -0.690 57.400 58.000 0.150 0.000 1.177 89 F CB 0.881 39.964 39.000 0.139 0.000 1.598 89 F HN 0.483 nan 8.300 nan 0.000 0.589 90 Y N 4.999 125.374 120.300 0.124 0.000 2.532 90 Y HA 0.144 4.686 4.550 -0.013 0.000 0.337 90 Y C 1.177 177.099 175.900 0.038 0.000 1.274 90 Y CA -0.747 57.378 58.100 0.042 0.000 1.817 90 Y CB 0.205 38.673 38.460 0.013 0.000 1.769 90 Y HN 0.522 nan 8.280 nan 0.000 0.447 91 M N 1.252 120.990 119.600 0.230 0.000 2.200 91 M HA 0.093 4.565 4.480 -0.014 0.000 0.265 91 M C 1.544 177.824 176.300 -0.033 0.000 1.066 91 M CA 1.175 56.517 55.300 0.069 0.000 1.127 91 M CB -1.294 31.324 32.600 0.030 0.000 1.379 91 M HN 0.640 nan 8.290 nan 0.000 0.420 92 G N 0.948 109.738 108.800 -0.015 0.000 2.698 92 G HA2 -0.260 3.692 3.960 -0.014 0.000 0.233 92 G HA3 -0.260 3.692 3.960 -0.014 0.000 0.233 92 G C -0.509 174.347 174.900 -0.074 0.000 1.352 92 G CA -0.386 44.663 45.100 -0.085 0.000 0.879 92 G HN 0.457 nan 8.290 nan 0.000 0.567 93 R N -0.666 119.776 120.500 -0.097 0.000 2.694 93 R HA 0.511 4.842 4.340 -0.014 0.000 0.268 93 R C 1.585 177.778 176.300 -0.178 0.000 1.061 93 R CA 0.628 56.681 56.100 -0.078 0.000 1.133 93 R CB 0.591 30.845 30.300 -0.076 0.000 1.020 93 R HN 0.925 nan 8.270 nan 0.000 0.475 94 T N 0.126 114.527 114.554 -0.255 0.000 3.058 94 T HA 0.055 4.397 4.350 -0.014 0.000 0.278 94 T C 1.056 175.387 174.700 -0.614 0.000 0.974 94 T CA -0.300 61.476 62.100 -0.540 0.000 0.893 94 T CB 0.183 68.523 68.868 -0.880 0.000 1.138 94 T HN 0.336 nan 8.240 nan 0.000 0.529 95 L N 1.754 122.857 121.223 -0.200 0.000 1.988 95 L HA 0.206 4.538 4.340 -0.014 0.000 0.207 95 L C 2.571 179.419 176.870 -0.038 0.000 1.071 95 L CA 2.179 57.047 54.840 0.046 0.000 0.744 95 L CB -0.977 41.301 42.059 0.366 0.000 0.893 95 L HN 0.389 nan 8.230 nan 0.000 0.433 96 Q N -0.519 119.257 119.800 -0.041 0.000 2.030 96 Q HA -0.276 4.056 4.340 -0.014 0.000 0.204 96 Q C 2.246 178.183 176.000 -0.105 0.000 0.986 96 Q CA 2.073 57.843 55.803 -0.056 0.000 0.843 96 Q CB -0.407 28.292 28.738 -0.065 0.000 0.904 96 Q HN 0.693 nan 8.270 nan 0.000 0.420 97 N N -1.004 117.596 118.700 -0.167 0.000 2.137 97 N HA -0.165 4.566 4.740 -0.014 0.000 0.190 97 N C 1.366 176.778 175.510 -0.162 0.000 1.017 97 N CA 1.876 54.817 53.050 -0.181 0.000 0.859 97 N CB 0.001 38.344 38.487 -0.239 0.000 1.002 97 N HN 0.252 nan 8.380 nan 0.000 0.428 98 T N 1.024 115.452 114.554 -0.210 0.000 2.857 98 T HA -0.008 4.334 4.350 -0.014 0.000 0.266 98 T C 2.046 176.693 174.700 -0.089 0.000 1.048 98 T CA 0.888 62.879 62.100 -0.182 0.000 1.139 98 T CB -0.001 68.712 68.868 -0.258 0.000 0.874 98 T HN 0.270 nan 8.240 nan 0.000 0.455 99 M N 0.464 120.028 119.600 -0.061 0.000 2.132 99 M HA -0.067 4.404 4.480 -0.014 0.000 0.263 99 M C 2.463 178.737 176.300 -0.044 0.000 1.065 99 M CA 1.190 56.468 55.300 -0.038 0.000 1.122 99 M CB -0.575 32.017 32.600 -0.014 0.000 1.365 99 M HN 0.087 nan 8.290 nan 0.000 0.411 100 V N 1.067 120.960 119.914 -0.035 0.000 2.255 100 V HA -0.283 3.828 4.120 -0.014 0.000 0.247 100 V C 1.777 177.890 176.094 0.033 0.000 1.051 100 V CA 1.964 64.267 62.300 0.007 0.000 1.018 100 V CB -0.856 30.970 31.823 0.005 0.000 0.641 100 V HN 0.474 nan 8.190 nan 0.000 0.445 101 N N -0.436 118.272 118.700 0.014 0.000 2.520 101 N HA -0.046 4.686 4.740 -0.014 0.000 0.185 101 N C 0.984 176.406 175.510 -0.145 0.000 1.068 101 N CA 0.694 53.735 53.050 -0.014 0.000 0.911 101 N CB -0.023 38.462 38.487 -0.003 0.000 0.961 101 N HN 0.283 nan 8.380 nan 0.000 0.446 102 L N -0.474 120.682 121.223 -0.112 0.000 2.766 102 L HA 0.421 4.753 4.340 -0.014 0.000 0.242 102 L C 0.460 177.257 176.870 -0.122 0.000 1.136 102 L CA -0.286 54.486 54.840 -0.113 0.000 0.933 102 L CB -0.671 41.347 42.059 -0.069 0.000 1.241 102 L HN 0.069 nan 8.230 nan 0.000 0.522 103 A N -0.376 122.370 122.820 -0.122 0.000 2.791 103 A HA -0.221 4.091 4.320 -0.014 0.000 0.292 103 A C 1.055 178.588 177.584 -0.085 0.000 1.487 103 A CA 1.008 52.984 52.037 -0.101 0.000 0.760 103 A CB -1.907 17.020 19.000 -0.121 0.000 1.031 103 A HN 0.230 nan 8.150 nan 0.000 0.503 104 L N -1.043 120.131 121.223 -0.081 0.000 2.638 104 L HA 0.256 4.588 4.340 -0.014 0.000 0.232 104 L C 1.833 178.670 176.870 -0.054 0.000 1.099 104 L CA 1.574 56.360 54.840 -0.091 0.000 0.883 104 L CB -0.242 41.744 42.059 -0.123 0.000 1.136 104 L HN 0.617 nan 8.230 nan 0.000 0.492 105 E N -0.048 120.130 120.200 -0.037 0.000 2.065 105 E HA -0.274 4.067 4.350 -0.014 0.000 0.201 105 E C 1.715 178.304 176.600 -0.019 0.000 1.016 105 E CA 1.857 58.245 56.400 -0.020 0.000 0.818 105 E CB 0.188 29.879 29.700 -0.015 0.000 0.749 105 E HN 0.381 nan 8.360 nan 0.000 0.453 106 N N -0.284 118.401 118.700 -0.025 0.000 2.142 106 N HA -0.105 4.627 4.740 -0.014 0.000 0.186 106 N C 1.555 177.050 175.510 -0.025 0.000 1.023 106 N CA 1.266 54.300 53.050 -0.026 0.000 0.852 106 N CB -0.462 38.008 38.487 -0.028 0.000 0.998 106 N HN 0.258 nan 8.380 nan 0.000 0.424 107 A N 0.464 123.267 122.820 -0.029 0.000 1.883 107 A HA -0.173 4.139 4.320 -0.014 0.000 0.217 107 A C 2.698 180.273 177.584 -0.015 0.000 1.186 107 A CA 1.503 53.525 52.037 -0.025 0.000 0.624 107 A CB -1.106 17.870 19.000 -0.040 0.000 0.822 107 A HN 0.451 nan 8.150 nan 0.000 0.444 108 C N -0.908 118.384 119.300 -0.014 0.000 2.429 108 C HA -0.080 4.372 4.460 -0.014 0.000 0.277 108 C C 2.505 177.498 174.990 0.005 0.000 1.262 108 C CA 1.139 60.160 59.018 0.005 0.000 1.733 108 C CB -1.125 26.629 27.740 0.023 0.000 2.010 108 C HN 0.679 nan 8.230 nan 0.000 0.483 109 D N 0.545 120.947 120.400 0.004 0.000 2.097 109 D HA -0.139 4.493 4.640 -0.014 0.000 0.195 109 D C 2.111 178.426 176.300 0.024 0.000 0.989 109 D CA 1.552 55.558 54.000 0.010 0.000 0.827 109 D CB -0.262 40.532 40.800 -0.009 0.000 0.966 109 D HN 0.488 nan 8.370 nan 0.000 0.456 110 E N 0.572 120.776 120.200 0.007 0.000 2.007 110 E HA -0.098 4.244 4.350 -0.014 0.000 0.194 110 E C 1.940 178.583 176.600 0.072 0.000 0.999 110 E CA 1.876 58.294 56.400 0.030 0.000 0.811 110 E CB -0.725 28.976 29.700 0.002 0.000 0.762 110 E HN 0.174 nan 8.360 nan 0.000 0.450 111 A N -0.092 122.737 122.820 0.015 0.000 1.884 111 A HA -0.281 4.031 4.320 -0.014 0.000 0.219 111 A C 2.539 180.061 177.584 -0.103 0.000 1.197 111 A CA 3.465 55.485 52.037 -0.028 0.000 0.637 111 A CB -1.732 17.250 19.000 -0.030 0.000 0.827 111 A HN 0.566 nan 8.150 nan 0.000 0.450 112 T N -3.821 110.661 114.554 -0.120 0.000 2.915 112 T HA -0.210 4.131 4.350 -0.014 0.000 0.269 112 T C 1.784 176.402 174.700 -0.137 0.000 1.071 112 T CA 1.565 63.532 62.100 -0.222 0.000 1.132 112 T CB -0.532 68.246 68.868 -0.149 0.000 0.878 112 T HN 0.523 nan 8.240 nan 0.000 0.479 113 Y N 1.991 122.212 120.300 -0.132 0.000 2.163 113 Y HA -0.041 4.501 4.550 -0.013 0.000 0.288 113 Y C 2.669 178.508 175.900 -0.103 0.000 1.136 113 Y CA 1.486 59.527 58.100 -0.098 0.000 1.147 113 Y CB -0.481 37.940 38.460 -0.064 0.000 0.987 113 Y HN 0.207 nan 8.280 nan 0.000 0.509 114 Q N -0.737 119.012 119.800 -0.084 0.000 2.226 114 Q HA -0.142 4.190 4.340 -0.014 0.000 0.204 114 Q C 1.599 177.471 176.000 -0.213 0.000 0.975 114 Q CA 1.001 56.713 55.803 -0.152 0.000 0.866 114 Q CB -0.105 28.621 28.738 -0.019 0.000 0.915 114 Q HN 0.354 nan 8.270 nan 0.000 0.440 115 L N -0.682 120.397 121.223 -0.240 0.000 2.599 115 L HA 0.100 4.432 4.340 -0.014 0.000 0.230 115 L C 1.081 177.780 176.870 -0.285 0.000 1.141 115 L CA 1.316 55.994 54.840 -0.269 0.000 0.877 115 L CB -0.587 41.214 42.059 -0.431 0.000 1.009 115 L HN 0.342 nan 8.230 nan 0.000 0.447 116 G N -0.203 108.407 108.800 -0.317 0.000 2.182 116 G HA2 -0.255 3.697 3.960 -0.014 0.000 0.248 116 G HA3 -0.255 3.697 3.960 -0.014 0.000 0.248 116 G C 0.029 174.773 174.900 -0.260 0.000 1.042 116 G CA 0.434 45.352 45.100 -0.304 0.000 0.775 116 G HN 0.316 nan 8.290 nan 0.000 0.501 117 L N -0.579 120.491 121.223 -0.254 0.000 2.354 117 L HA 0.645 4.977 4.340 -0.014 0.000 0.264 117 L C -0.557 176.269 176.870 -0.074 0.000 1.008 117 L CA -1.232 53.494 54.840 -0.190 0.000 0.819 117 L CB 1.907 43.795 42.059 -0.284 0.000 1.339 117 L HN 0.068 nan 8.230 nan 0.000 0.420 118 D N 1.737 122.127 120.400 -0.017 0.000 2.396 118 D HA 0.179 4.810 4.640 -0.014 0.000 0.225 118 D C 0.695 177.023 176.300 0.047 0.000 1.121 118 D CA -0.311 53.710 54.000 0.035 0.000 0.853 118 D CB 1.456 42.282 40.800 0.044 0.000 1.043 118 D HN 0.547 nan 8.370 nan 0.000 0.500 119 M N 3.296 122.926 119.600 0.050 0.000 2.108 119 M HA -0.214 4.258 4.480 -0.014 0.000 0.257 119 M C 1.442 177.785 176.300 0.072 0.000 1.071 119 M CA 1.728 57.067 55.300 0.065 0.000 1.093 119 M CB 0.120 32.752 32.600 0.054 0.000 1.345 119 M HN 0.416 nan 8.290 nan 0.000 0.403 120 E N -0.316 119.918 120.200 0.057 0.000 2.085 120 E HA -0.277 4.064 4.350 -0.014 0.000 0.194 120 E C 1.921 178.554 176.600 0.055 0.000 0.994 120 E CA 1.643 58.074 56.400 0.051 0.000 0.801 120 E CB -0.228 29.500 29.700 0.047 0.000 0.743 120 E HN 0.664 nan 8.360 nan 0.000 0.453 121 E N 0.250 120.486 120.200 0.059 0.000 2.150 121 E HA -0.193 4.149 4.350 -0.014 0.000 0.193 121 E C 1.872 178.512 176.600 0.066 0.000 0.985 121 E CA 0.521 56.956 56.400 0.059 0.000 0.814 121 E CB 0.194 29.930 29.700 0.060 0.000 0.752 121 E HN 0.084 nan 8.360 nan 0.000 0.466 122 L N 1.103 122.385 121.223 0.098 0.000 2.131 122 L HA -0.063 4.269 4.340 -0.014 0.000 0.206 122 L C 2.025 178.945 176.870 0.084 0.000 1.087 122 L CA 1.513 56.442 54.840 0.147 0.000 0.767 122 L CB -0.485 41.715 42.059 0.235 0.000 0.917 122 L HN 0.089 nan 8.230 nan 0.000 0.441 123 E N -0.630 119.612 120.200 0.070 0.000 2.153 123 E HA -0.199 4.143 4.350 -0.014 0.000 0.194 123 E C 1.784 178.338 176.600 -0.077 0.000 0.988 123 E CA 0.770 57.180 56.400 0.017 0.000 0.811 123 E CB 0.090 29.811 29.700 0.034 0.000 0.746 123 E HN 0.350 nan 8.360 nan 0.000 0.466 124 E N 0.088 120.261 120.200 -0.045 0.000 2.409 124 E HA -0.116 4.226 4.350 -0.014 0.000 0.198 124 E C 1.745 178.277 176.600 -0.115 0.000 1.024 124 E CA 0.545 56.919 56.400 -0.044 0.000 0.861 124 E CB 0.070 29.778 29.700 0.012 0.000 0.788 124 E HN 0.397 nan 8.360 nan 0.000 0.521 125 I N 0.747 121.187 120.570 -0.217 0.000 2.876 125 I HA -0.095 4.067 4.170 -0.014 0.000 0.264 125 I C 1.275 177.083 176.117 -0.515 0.000 1.204 125 I CA 0.201 61.310 61.300 -0.319 0.000 1.485 125 I CB 0.181 38.002 38.000 -0.299 0.000 1.103 125 I HN -0.054 nan 8.210 nan 0.000 0.446 126 E N 2.393 122.188 120.200 -0.675 0.000 2.366 126 E HA -0.051 4.291 4.350 -0.014 0.000 0.266 126 E C 0.065 176.562 176.600 -0.171 0.000 1.015 126 E CA -0.143 55.910 56.400 -0.578 0.000 0.906 126 E CB 0.551 30.011 29.700 -0.400 0.000 0.979 126 E HN 0.109 nan 8.360 nan 0.000 0.443 127 E N 3.181 123.362 120.200 -0.030 0.000 2.383 127 E HA 0.039 4.380 4.350 -0.014 0.000 0.264 127 E C -1.045 175.651 176.600 0.160 0.000 1.050 127 E CA -0.279 56.190 56.400 0.116 0.000 0.896 127 E CB 0.743 30.590 29.700 0.245 0.000 0.982 127 E HN 0.381 nan 8.360 nan 0.000 0.424 128 D N 1.556 122.035 120.400 0.132 0.000 2.345 128 D HA 0.280 4.912 4.640 -0.014 0.000 0.247 128 D C -0.876 175.476 176.300 0.085 0.000 1.108 128 D CA 0.163 54.216 54.000 0.088 0.000 0.894 128 D CB 1.104 41.937 40.800 0.054 0.000 1.203 128 D HN 0.443 nan 8.370 nan 0.000 0.430 129 A N 2.404 125.232 122.820 0.014 0.000 2.922 129 A HA 0.453 4.765 4.320 -0.014 0.000 0.298 129 A C 1.004 178.460 177.584 -0.214 0.000 1.588 129 A CA -0.480 51.407 52.037 -0.250 0.000 1.288 129 A CB -0.395 18.533 19.000 -0.119 0.000 1.130 129 A HN 0.532 nan 8.150 nan 0.000 0.557 130 G N 1.538 110.173 108.800 -0.275 0.000 3.455 130 G HA2 0.382 4.334 3.960 -0.014 0.000 0.250 130 G HA3 0.382 4.334 3.960 -0.014 0.000 0.250 130 G C 0.320 174.988 174.900 -0.387 0.000 1.071 130 G CA -0.273 44.722 45.100 -0.176 0.000 1.812 130 G HN 0.678 nan 8.290 nan 0.000 0.643 131 L N 1.460 122.506 121.223 -0.295 0.000 2.955 131 L HA 0.397 4.729 4.340 -0.014 0.000 0.238 131 L C 1.009 177.792 176.870 -0.146 0.000 1.359 131 L CA -0.266 54.496 54.840 -0.131 0.000 1.214 131 L CB -0.378 41.729 42.059 0.079 0.000 1.600 131 L HN 0.311 nan 8.230 nan 0.000 0.442 132 G N -1.168 107.313 108.800 -0.531 0.000 2.623 132 G HA2 0.203 4.155 3.960 -0.014 0.000 0.290 132 G HA3 0.203 4.155 3.960 -0.014 0.000 0.290 132 G C -0.209 174.223 174.900 -0.780 0.000 1.437 132 G CA -0.454 44.304 45.100 -0.569 0.000 0.798 132 G HN -0.035 nan 8.290 nan 0.000 0.488 133 N N -0.870 117.610 118.700 -0.367 0.000 2.436 133 N HA 0.211 4.943 4.740 -0.014 0.000 0.178 133 N C 1.146 176.653 175.510 -0.004 0.000 1.026 133 N CA 1.225 54.159 53.050 -0.193 0.000 0.880 133 N CB 1.305 39.779 38.487 -0.022 0.000 1.061 133 N HN 0.783 nan 8.380 nan 0.000 0.434 134 G N -0.607 108.267 108.800 0.124 0.000 2.947 134 G HA2 0.206 4.158 3.960 -0.014 0.000 0.115 134 G HA3 0.206 4.158 3.960 -0.014 0.000 0.115 134 G C 0.746 175.776 174.900 0.218 0.000 1.214 134 G CA 0.289 45.544 45.100 0.258 0.000 1.324 134 G HN 0.167 nan 8.290 nan 0.000 0.645 135 G N 0.464 109.342 108.800 0.129 0.000 2.476 135 G HA2 -0.134 3.818 3.960 -0.014 0.000 0.218 135 G HA3 -0.134 3.818 3.960 -0.014 0.000 0.218 135 G C 1.891 176.807 174.900 0.027 0.000 1.164 135 G CA 1.534 46.674 45.100 0.066 0.000 0.768 135 G HN 0.735 nan 8.290 nan 0.000 0.560 136 L N 0.662 121.886 121.223 0.002 0.000 2.017 136 L HA 0.068 4.399 4.340 -0.014 0.000 0.208 136 L C 2.886 179.710 176.870 -0.077 0.000 1.073 136 L CA 2.055 56.827 54.840 -0.112 0.000 0.745 136 L CB -0.594 41.373 42.059 -0.152 0.000 0.894 136 L HN 0.249 nan 8.230 nan 0.000 0.432 137 G N -0.816 107.991 108.800 0.012 0.000 2.402 137 G HA2 -0.261 3.691 3.960 -0.014 0.000 0.216 137 G HA3 -0.261 3.691 3.960 -0.014 0.000 0.216 137 G C 1.694 176.672 174.900 0.131 0.000 1.162 137 G CA 0.337 45.462 45.100 0.043 0.000 0.777 137 G HN 0.184 nan 8.290 nan 0.000 0.539 138 R N 0.051 120.667 120.500 0.195 0.000 2.115 138 R HA 0.081 4.413 4.340 -0.014 0.000 0.230 138 R C 2.489 178.810 176.300 0.034 0.000 1.111 138 R CA 0.770 56.953 56.100 0.139 0.000 0.976 138 R CB -0.917 29.427 30.300 0.074 0.000 0.870 138 R HN 0.414 nan 8.270 nan 0.000 0.445 139 L N 0.574 121.749 121.223 -0.080 0.000 2.017 139 L HA -0.086 4.246 4.340 -0.014 0.000 0.208 139 L C 2.226 178.833 176.870 -0.438 0.000 1.073 139 L CA 2.169 56.826 54.840 -0.306 0.000 0.745 139 L CB -0.699 41.127 42.059 -0.389 0.000 0.894 139 L HN 0.177 nan 8.230 nan 0.000 0.432 140 A N -0.635 122.040 122.820 -0.241 0.000 1.940 140 A HA -0.177 4.135 4.320 -0.014 0.000 0.219 140 A C 2.418 180.069 177.584 0.111 0.000 1.176 140 A CA 1.900 53.866 52.037 -0.118 0.000 0.631 140 A CB -1.099 17.790 19.000 -0.185 0.000 0.814 140 A HN 0.579 nan 8.150 nan 0.000 0.446 141 A N -1.240 121.675 122.820 0.159 0.000 1.897 141 A HA -0.116 4.195 4.320 -0.014 0.000 0.215 141 A C 2.287 179.955 177.584 0.139 0.000 1.181 141 A CA 1.553 53.706 52.037 0.194 0.000 0.620 141 A CB -1.169 17.933 19.000 0.171 0.000 0.821 141 A HN 0.589 nan 8.150 nan 0.000 0.443 142 C N -1.492 117.893 119.300 0.142 0.000 2.440 142 C HA -0.021 4.431 4.460 -0.014 0.000 0.278 142 C C 2.404 177.567 174.990 0.288 0.000 1.295 142 C CA 0.449 59.590 59.018 0.205 0.000 1.738 142 C CB -1.586 26.300 27.740 0.244 0.000 1.987 142 C HN 0.596 nan 8.230 nan 0.000 0.492 143 F N 0.627 120.565 119.950 -0.020 0.000 2.102 143 F HA -0.079 4.439 4.527 -0.014 0.000 0.298 143 F C 2.134 177.880 175.800 -0.090 0.000 1.105 143 F CA 1.104 59.040 58.000 -0.107 0.000 1.239 143 F CB -1.395 37.408 39.000 -0.329 0.000 0.991 143 F HN 0.075 nan 8.300 nan 0.000 0.474 144 L N 0.433 121.737 121.223 0.135 0.000 2.013 144 L HA -0.256 4.076 4.340 -0.014 0.000 0.212 144 L C 2.415 179.301 176.870 0.027 0.000 1.073 144 L CA 2.019 56.893 54.840 0.057 0.000 0.753 144 L CB -1.270 40.827 42.059 0.064 0.000 0.890 144 L HN 0.212 nan 8.230 nan 0.000 0.432 145 D N -1.436 118.988 120.400 0.041 0.000 2.149 145 D HA -0.165 4.467 4.640 -0.014 0.000 0.198 145 D C 1.893 178.212 176.300 0.031 0.000 0.990 145 D CA 1.456 55.465 54.000 0.016 0.000 0.839 145 D CB 0.440 41.246 40.800 0.010 0.000 0.948 145 D HN 0.322 nan 8.370 nan 0.000 0.460 146 S N -0.278 115.456 115.700 0.055 0.000 2.387 146 S HA -0.014 4.448 4.470 -0.014 0.000 0.226 146 S C 2.087 176.699 174.600 0.020 0.000 1.026 146 S CA 0.536 58.760 58.200 0.040 0.000 0.972 146 S CB -0.043 63.183 63.200 0.043 0.000 0.814 146 S HN 0.317 nan 8.310 nan 0.000 0.477 147 M N 0.923 120.528 119.600 0.009 0.000 2.213 147 M HA -0.072 4.399 4.480 -0.014 0.000 0.263 147 M C 2.316 178.617 176.300 0.002 0.000 1.062 147 M CA 1.289 56.591 55.300 0.004 0.000 1.105 147 M CB -0.378 32.209 32.600 -0.022 0.000 1.385 147 M HN 0.387 nan 8.290 nan 0.000 0.417 148 A N -0.490 122.329 122.820 -0.001 0.000 1.897 148 A HA -0.093 4.219 4.320 -0.014 0.000 0.215 148 A C 2.140 179.737 177.584 0.021 0.000 1.181 148 A CA 1.792 53.830 52.037 0.002 0.000 0.620 148 A CB -0.967 18.020 19.000 -0.023 0.000 0.821 148 A HN 0.383 nan 8.150 nan 0.000 0.443 149 T N 0.298 114.871 114.554 0.032 0.000 2.915 149 T HA 0.023 4.364 4.350 -0.014 0.000 0.269 149 T C 1.264 175.993 174.700 0.048 0.000 1.071 149 T CA 0.962 63.096 62.100 0.055 0.000 1.132 149 T CB -0.247 68.665 68.868 0.073 0.000 0.878 149 T HN 0.320 nan 8.240 nan 0.000 0.479 150 L N 0.371 121.617 121.223 0.039 0.000 2.653 150 L HA 0.301 4.633 4.340 -0.014 0.000 0.231 150 L C 1.582 178.478 176.870 0.044 0.000 1.153 150 L CA -0.096 54.768 54.840 0.041 0.000 0.933 150 L CB -0.337 41.746 42.059 0.041 0.000 1.175 150 L HN 0.382 nan 8.230 nan 0.000 0.473 151 G N 1.330 110.157 108.800 0.046 0.000 2.249 151 G HA2 -0.287 3.665 3.960 -0.014 0.000 0.273 151 G HA3 -0.287 3.665 3.960 -0.014 0.000 0.273 151 G C 0.073 175.009 174.900 0.059 0.000 1.036 151 G CA 0.110 45.249 45.100 0.066 0.000 0.824 151 G HN 0.292 nan 8.290 nan 0.000 0.504 152 L N -0.292 120.940 121.223 0.014 0.000 2.334 152 L HA 0.629 4.961 4.340 -0.014 0.000 0.277 152 L C 1.200 177.936 176.870 -0.224 0.000 1.075 152 L CA -0.415 54.385 54.840 -0.067 0.000 0.804 152 L CB 1.652 43.690 42.059 -0.036 0.000 1.174 152 L HN 0.246 nan 8.230 nan 0.000 0.438 153 A N 2.913 125.461 122.820 -0.453 0.000 3.037 153 A HA 0.559 4.870 4.320 -0.014 0.000 0.272 153 A C 0.331 177.556 177.584 -0.598 0.000 1.723 153 A CA -0.174 51.319 52.037 -0.906 0.000 1.413 153 A CB -0.707 17.697 19.000 -0.993 0.000 1.112 153 A HN 0.687 nan 8.150 nan 0.000 0.606 154 A N 1.267 123.792 122.820 -0.493 0.000 2.324 154 A HA 0.775 5.086 4.320 -0.014 0.000 0.330 154 A C -0.992 176.346 177.584 -0.411 0.000 1.165 154 A CA -0.444 51.369 52.037 -0.373 0.000 0.813 154 A CB 0.666 19.526 19.000 -0.234 0.000 1.197 154 A HN 0.603 nan 8.150 nan 0.000 0.484 155 Y N 0.464 120.733 120.300 -0.051 0.000 2.361 155 Y HA 0.528 5.070 4.550 -0.013 0.000 0.337 155 Y C 0.867 176.899 175.900 0.220 0.000 0.965 155 Y CA -0.547 57.611 58.100 0.097 0.000 1.091 155 Y CB 2.316 40.955 38.460 0.298 0.000 1.182 155 Y HN 0.819 nan 8.280 nan 0.000 0.450 156 G N 2.457 111.367 108.800 0.184 0.000 2.325 156 G HA2 0.419 4.371 3.960 -0.014 0.000 0.298 156 G HA3 0.419 4.371 3.960 -0.014 0.000 0.298 156 G C -1.664 173.257 174.900 0.035 0.000 1.134 156 G CA -0.208 45.010 45.100 0.197 0.000 0.876 156 G HN 0.535 nan 8.290 nan 0.000 0.452 157 Y N 1.155 121.669 120.300 0.356 0.000 2.376 157 Y HA 0.631 5.173 4.550 -0.014 0.000 0.340 157 Y C 0.780 176.973 175.900 0.488 0.000 0.965 157 Y CA 0.282 58.569 58.100 0.310 0.000 1.078 157 Y CB 2.669 41.343 38.460 0.356 0.000 1.193 157 Y HN 0.862 nan 8.280 nan 0.000 0.452 158 G N 2.426 111.528 108.800 0.503 0.000 2.753 158 G HA2 0.559 4.511 3.960 -0.014 0.000 0.303 158 G HA3 0.559 4.511 3.960 -0.014 0.000 0.303 158 G C -1.771 173.379 174.900 0.416 0.000 1.242 158 G CA -0.803 44.636 45.100 0.564 0.000 0.810 158 G HN 0.430 nan 8.290 nan 0.000 0.515 159 I N 0.539 121.253 120.570 0.240 0.000 2.474 159 I HA 0.439 4.601 4.170 -0.014 0.000 0.294 159 I C 0.125 176.149 176.117 -0.155 0.000 1.005 159 I CA -0.741 60.585 61.300 0.045 0.000 1.113 159 I CB 2.274 40.106 38.000 -0.280 0.000 1.289 159 I HN 0.395 nan 8.210 nan 0.000 0.436 160 R N 6.152 126.647 120.500 -0.009 0.000 2.825 160 R HA 0.256 4.588 4.340 -0.014 0.000 0.261 160 R C -1.247 175.094 176.300 0.070 0.000 1.341 160 R CA -0.477 55.650 56.100 0.045 0.000 1.353 160 R CB -0.060 30.245 30.300 0.008 0.000 1.191 160 R HN 0.392 nan 8.270 nan 0.000 0.590 161 Y N 1.560 121.999 120.300 0.231 0.000 2.511 161 Y HA -0.061 4.481 4.550 -0.014 0.000 0.332 161 Y C 1.510 177.568 175.900 0.263 0.000 1.177 161 Y CA 0.042 58.266 58.100 0.205 0.000 1.422 161 Y CB 0.823 39.383 38.460 0.168 0.000 1.271 161 Y HN 0.550 nan 8.280 nan 0.000 0.550 162 E N 1.261 121.617 120.200 0.261 0.000 2.435 162 E HA 0.045 4.386 4.350 -0.014 0.000 0.195 162 E C -0.776 175.696 176.600 -0.212 0.000 1.029 162 E CA 0.455 56.844 56.400 -0.019 0.000 0.865 162 E CB 0.089 29.587 29.700 -0.337 0.000 0.833 162 E HN 0.445 nan 8.360 nan 0.000 0.510 163 F N 1.098 121.280 119.950 0.387 0.000 2.496 163 F HA 0.469 4.988 4.527 -0.014 0.000 0.341 163 F C 0.824 176.698 175.800 0.123 0.000 1.134 163 F CA -1.116 57.049 58.000 0.274 0.000 0.968 163 F CB 2.078 41.175 39.000 0.162 0.000 1.205 163 F HN -0.062 nan 8.300 nan 0.000 0.436 164 G N 1.930 110.826 108.800 0.160 0.000 2.531 164 G HA2 0.338 4.290 3.960 -0.014 0.000 0.253 164 G HA3 0.338 4.290 3.960 -0.014 0.000 0.253 164 G C -0.507 174.345 174.900 -0.079 0.000 1.439 164 G CA -0.689 44.352 45.100 -0.099 0.000 1.056 164 G HN 0.507 nan 8.290 nan 0.000 0.555 165 I N 0.955 121.402 120.570 -0.206 0.000 2.752 165 I HA 0.193 4.355 4.170 -0.014 0.000 0.289 165 I C 0.546 176.568 176.117 -0.159 0.000 1.197 165 I CA -1.121 60.033 61.300 -0.243 0.000 1.432 165 I CB -0.324 37.438 38.000 -0.396 0.000 1.359 165 I HN 0.325 nan 8.210 nan 0.000 0.571 166 F N 6.415 126.372 119.950 0.011 0.000 2.589 166 F HA 0.261 4.780 4.527 -0.013 0.000 0.352 166 F C 0.485 176.331 175.800 0.076 0.000 1.168 166 F CA -0.538 57.490 58.000 0.046 0.000 1.353 166 F CB -0.262 38.753 39.000 0.025 0.000 1.116 166 F HN 0.428 nan 8.300 nan 0.000 0.608 167 N N 2.330 121.210 118.700 0.300 0.000 2.488 167 N HA 0.062 4.793 4.740 -0.014 0.000 0.274 167 N C -0.863 174.878 175.510 0.386 0.000 1.111 167 N CA -0.309 52.883 53.050 0.236 0.000 0.974 167 N CB 1.240 39.856 38.487 0.216 0.000 1.089 167 N HN 0.761 nan 8.380 nan 0.000 0.465 168 Q N 2.378 122.373 119.800 0.325 0.000 2.256 168 Q HA 0.204 4.536 4.340 -0.014 0.000 0.254 168 Q C -0.988 175.182 176.000 0.283 0.000 0.916 168 Q CA -0.282 55.754 55.803 0.387 0.000 0.932 168 Q CB 0.783 29.752 28.738 0.386 0.000 1.207 168 Q HN 0.273 nan 8.270 nan 0.000 0.426 169 K N 4.442 124.987 120.400 0.242 0.000 2.345 169 K HA 0.430 4.742 4.320 -0.014 0.000 0.255 169 K C -0.894 175.807 176.600 0.168 0.000 0.934 169 K CA -0.925 55.479 56.287 0.195 0.000 0.801 169 K CB 1.584 34.177 32.500 0.155 0.000 1.137 169 K HN 0.616 nan 8.250 nan 0.000 0.424 170 I N 2.823 123.488 120.570 0.158 0.000 2.307 170 I HA 0.171 4.333 4.170 -0.014 0.000 0.289 170 I C -0.076 176.103 176.117 0.104 0.000 1.021 170 I CA -0.731 60.634 61.300 0.109 0.000 1.224 170 I CB 0.438 38.485 38.000 0.078 0.000 1.376 170 I HN 0.456 nan 8.210 nan 0.000 0.470 171 C N 4.443 123.817 119.300 0.123 0.000 2.281 171 C HA 0.572 5.024 4.460 -0.014 0.000 0.323 171 C C 1.236 176.331 174.990 0.175 0.000 1.270 171 C CA -0.232 58.861 59.018 0.126 0.000 1.559 171 C CB 0.250 28.056 27.740 0.111 0.000 2.239 171 C HN 1.082 nan 8.230 nan 0.000 0.488 172 G N 2.909 111.784 108.800 0.125 0.000 2.249 172 G HA2 0.076 4.028 3.960 -0.014 0.000 0.273 172 G HA3 0.076 4.028 3.960 -0.014 0.000 0.273 172 G C 1.074 176.003 174.900 0.050 0.000 1.036 172 G CA 0.940 46.120 45.100 0.135 0.000 0.824 172 G HN 2.277 nan 8.290 nan 0.000 0.504 173 G N -2.957 105.813 108.800 -0.050 0.000 2.199 173 G HA2 -0.289 3.663 3.960 -0.014 0.000 0.254 173 G HA3 -0.289 3.663 3.960 -0.014 0.000 0.254 173 G C 0.377 175.043 174.900 -0.390 0.000 0.982 173 G CA 0.640 45.582 45.100 -0.263 0.000 0.632 173 G HN 1.188 nan 8.290 nan 0.000 0.529 174 W N 0.834 122.082 121.300 -0.086 0.000 2.516 174 W HA 0.672 5.324 4.660 -0.013 0.000 0.343 174 W C 0.610 177.081 176.519 -0.080 0.000 1.094 174 W CA -0.849 56.439 57.345 -0.095 0.000 1.250 174 W CB 0.836 30.255 29.460 -0.069 0.000 1.308 174 W HN 0.248 nan 8.180 nan 0.000 0.588 175 Q N 2.827 122.735 119.800 0.181 0.000 2.286 175 Q HA 0.311 4.643 4.340 -0.014 0.000 0.257 175 Q C -0.701 175.359 176.000 0.099 0.000 0.941 175 Q CA -0.038 55.837 55.803 0.119 0.000 0.912 175 Q CB 0.645 29.445 28.738 0.105 0.000 1.192 175 Q HN 0.310 nan 8.270 nan 0.000 0.410 176 M N 3.259 122.913 119.600 0.089 0.000 2.321 176 M HA 0.377 4.848 4.480 -0.014 0.000 0.315 176 M C -1.152 175.159 176.300 0.018 0.000 1.052 176 M CA -0.624 54.696 55.300 0.034 0.000 0.936 176 M CB 1.662 34.296 32.600 0.056 0.000 1.639 176 M HN 0.634 nan 8.290 nan 0.000 0.433 177 E N 1.932 122.066 120.200 -0.109 0.000 2.231 177 E HA 0.524 4.866 4.350 -0.014 0.000 0.277 177 E C -0.551 176.030 176.600 -0.031 0.000 0.999 177 E CA -0.538 55.757 56.400 -0.175 0.000 0.827 177 E CB 1.656 30.966 29.700 -0.650 0.000 1.101 177 E HN 0.541 nan 8.360 nan 0.000 0.393 178 E N 1.093 121.352 120.200 0.099 0.000 2.321 178 E HA 0.603 4.945 4.350 -0.014 0.000 0.278 178 E C -1.260 175.419 176.600 0.132 0.000 0.902 178 E CA -1.279 55.171 56.400 0.083 0.000 0.758 178 E CB 1.287 31.045 29.700 0.096 0.000 1.213 178 E HN 0.527 nan 8.360 nan 0.000 0.426 179 A N 2.907 125.754 122.820 0.045 0.000 2.587 179 A HA 0.006 4.318 4.320 -0.014 0.000 0.235 179 A C 0.065 177.784 177.584 0.225 0.000 1.044 179 A CA 0.831 52.889 52.037 0.037 0.000 0.754 179 A CB -0.070 18.786 19.000 -0.239 0.000 0.968 179 A HN 0.693 nan 8.150 nan 0.000 0.509 180 D N 1.699 122.311 120.400 0.354 0.000 2.500 180 D HA 0.190 4.822 4.640 -0.014 0.000 0.219 180 D C -0.469 176.186 176.300 0.592 0.000 1.137 180 D CA -0.289 53.946 54.000 0.393 0.000 0.946 180 D CB 0.363 41.331 40.800 0.280 0.000 1.022 180 D HN 0.358 nan 8.370 nan 0.000 0.518 181 D N 3.880 124.601 120.400 0.535 0.000 2.688 181 D HA -0.034 4.597 4.640 -0.014 0.000 0.228 181 D C 1.093 177.586 176.300 0.322 0.000 1.116 181 D CA -0.506 53.761 54.000 0.445 0.000 1.023 181 D CB -0.153 40.882 40.800 0.392 0.000 1.100 181 D HN 0.588 nan 8.370 nan 0.000 0.487 182 W N 2.150 123.523 121.300 0.121 0.000 2.611 182 W HA -0.058 4.593 4.660 -0.014 0.000 0.251 182 W C 0.206 176.799 176.519 0.123 0.000 1.265 182 W CA 0.095 57.516 57.345 0.128 0.000 1.295 182 W CB -0.779 28.750 29.460 0.117 0.000 1.129 182 W HN 0.200 nan 8.180 nan 0.000 0.630 183 L N 0.792 121.686 121.223 -0.549 0.000 2.607 183 L HA 0.182 4.514 4.340 -0.014 0.000 0.228 183 L C 2.746 179.486 176.870 -0.217 0.000 1.123 183 L CA -0.027 54.466 54.840 -0.578 0.000 0.890 183 L CB -0.632 40.952 42.059 -0.792 0.000 1.103 183 L HN -0.123 nan 8.230 nan 0.000 0.468 184 R N 0.792 121.235 120.500 -0.095 0.000 2.159 184 R HA -0.261 4.071 4.340 -0.014 0.000 0.252 184 R C 1.324 177.494 176.300 -0.217 0.000 1.144 184 R CA 2.303 58.332 56.100 -0.119 0.000 0.961 184 R CB -0.258 30.016 30.300 -0.042 0.000 0.877 184 R HN 0.342 nan 8.270 nan 0.000 0.444 185 Y N -0.753 119.563 120.300 0.027 0.000 2.458 185 Y HA 0.331 4.873 4.550 -0.013 0.000 0.256 185 Y C 0.772 176.663 175.900 -0.014 0.000 1.159 185 Y CA 0.308 58.430 58.100 0.037 0.000 1.261 185 Y CB 1.238 39.822 38.460 0.208 0.000 1.119 185 Y HN 0.458 nan 8.280 nan 0.000 0.524 186 G N 1.372 110.218 108.800 0.076 0.000 2.662 186 G HA2 -0.215 3.737 3.960 -0.014 0.000 0.686 186 G HA3 -0.215 3.737 3.960 -0.014 0.000 0.686 186 G C -1.333 173.631 174.900 0.106 0.000 1.271 186 G CA -0.889 44.219 45.100 0.012 0.000 0.816 186 G HN 0.195 nan 8.290 nan 0.000 0.608 187 N N 1.319 120.027 118.700 0.013 0.000 2.626 187 N HA 0.531 5.263 4.740 -0.014 0.000 0.249 187 N C -0.726 174.776 175.510 -0.012 0.000 1.021 187 N CA -2.014 51.064 53.050 0.045 0.000 0.886 187 N CB 1.942 40.401 38.487 -0.045 0.000 1.149 187 N HN 0.248 nan 8.380 nan 0.000 0.517 188 P HA -0.011 nan 4.420 nan 0.000 0.230 188 P C 0.539 177.487 177.300 -0.586 0.000 1.158 188 P CA 0.775 63.550 63.100 -0.542 0.000 0.769 188 P CB 0.085 31.187 31.700 -0.996 0.000 0.807 189 W N 1.667 122.980 121.300 0.023 0.000 2.630 189 W HA 0.074 4.726 4.660 -0.013 0.000 0.271 189 W C 1.343 177.906 176.519 0.074 0.000 1.244 189 W CA -0.367 56.989 57.345 0.019 0.000 1.353 189 W CB -0.276 29.195 29.460 0.019 0.000 1.080 189 W HN -0.033 nan 8.180 nan 0.000 0.594 190 E N 1.841 122.221 120.200 0.300 0.000 2.349 190 E HA 0.288 4.630 4.350 -0.014 0.000 0.262 190 E C -0.573 176.201 176.600 0.291 0.000 1.088 190 E CA -0.614 55.973 56.400 0.310 0.000 0.899 190 E CB 1.174 31.070 29.700 0.326 0.000 1.044 190 E HN -0.308 nan 8.360 nan 0.000 0.420 191 K N 1.287 121.875 120.400 0.314 0.000 2.604 191 K HA 0.393 4.705 4.320 -0.014 0.000 0.247 191 K C -1.229 175.403 176.600 0.053 0.000 0.956 191 K CA -0.405 56.001 56.287 0.198 0.000 0.896 191 K CB 1.391 34.023 32.500 0.219 0.000 1.131 191 K HN 0.662 nan 8.250 nan 0.000 0.440 192 A N 4.164 126.927 122.820 -0.096 0.000 2.511 192 A HA 0.310 4.622 4.320 -0.014 0.000 0.242 192 A C -0.255 177.135 177.584 -0.323 0.000 1.069 192 A CA -0.017 51.688 52.037 -0.554 0.000 0.763 192 A CB 0.196 18.880 19.000 -0.526 0.000 1.001 192 A HN 0.668 nan 8.150 nan 0.000 0.498 193 R N 3.524 123.825 120.500 -0.331 0.000 2.748 193 R HA 0.202 4.534 4.340 -0.014 0.000 0.283 193 R C -2.361 173.834 176.300 -0.175 0.000 1.507 193 R CA -1.629 54.381 56.100 -0.151 0.000 1.666 193 R CB 0.846 31.232 30.300 0.142 0.000 1.237 193 R HN 0.584 nan 8.270 nan 0.000 0.633 194 P HA -0.190 nan 4.420 nan 0.000 0.219 194 P C 0.905 178.106 177.300 -0.164 0.000 1.146 194 P CA 1.160 64.176 63.100 -0.140 0.000 0.808 194 P CB 0.365 31.990 31.700 -0.124 0.000 0.779 195 E N 0.086 120.076 120.200 -0.349 0.000 2.409 195 E HA -0.138 4.204 4.350 -0.014 0.000 0.198 195 E C 0.807 177.132 176.600 -0.459 0.000 1.024 195 E CA 0.776 56.897 56.400 -0.466 0.000 0.861 195 E CB -0.975 28.308 29.700 -0.695 0.000 0.788 195 E HN 0.374 nan 8.360 nan 0.000 0.521 196 F N 1.679 121.640 119.950 0.018 0.000 2.684 196 F HA 0.233 4.752 4.527 -0.014 0.000 0.298 196 F C 0.502 176.388 175.800 0.143 0.000 1.120 196 F CA -0.660 57.379 58.000 0.065 0.000 1.332 196 F CB 0.623 39.655 39.000 0.053 0.000 0.986 196 F HN -0.283 nan 8.300 nan 0.000 0.524 197 T N 2.945 117.633 114.554 0.223 0.000 2.928 197 T HA 0.221 4.563 4.350 -0.014 0.000 0.305 197 T C -0.196 174.613 174.700 0.181 0.000 1.035 197 T CA 0.320 62.556 62.100 0.227 0.000 1.145 197 T CB 0.798 69.750 68.868 0.140 0.000 0.963 197 T HN -0.123 nan 8.240 nan 0.000 0.545 198 L N 5.264 126.572 121.223 0.141 0.000 2.354 198 L HA 0.624 4.956 4.340 -0.014 0.000 0.264 198 L C -2.234 174.605 176.870 -0.052 0.000 1.008 198 L CA -2.617 52.231 54.840 0.014 0.000 0.819 198 L CB 1.853 43.856 42.059 -0.093 0.000 1.339 198 L HN 0.389 nan 8.230 nan 0.000 0.420 199 P HA 0.453 nan 4.420 nan 0.000 0.290 199 P C -1.315 175.836 177.300 -0.247 0.000 1.275 199 P CA -0.499 62.515 63.100 -0.144 0.000 0.841 199 P CB 2.050 33.659 31.700 -0.152 0.000 1.042 200 V N 3.435 123.186 119.914 -0.271 0.000 2.638 200 V HA 0.315 4.427 4.120 -0.014 0.000 0.306 200 V C 0.075 175.923 176.094 -0.410 0.000 1.052 200 V CA -0.612 61.510 62.300 -0.297 0.000 0.885 200 V CB 1.566 33.286 31.823 -0.171 0.000 0.999 200 V HN 0.615 nan 8.190 nan 0.000 0.424 201 H N 3.792 122.678 119.070 -0.307 0.000 2.483 201 H HA 0.649 5.197 4.556 -0.014 0.000 0.338 201 H C -1.306 173.634 175.328 -0.647 0.000 1.152 201 H CA -0.154 55.610 56.048 -0.474 0.000 1.264 201 H CB 1.887 31.111 29.762 -0.896 0.000 1.510 201 H HN 0.472 nan 8.280 nan 0.000 0.530 202 F N -0.260 119.697 119.950 0.010 0.000 2.613 202 F HA 0.191 4.710 4.527 -0.014 0.000 0.310 202 F C -0.330 175.543 175.800 0.122 0.000 1.085 202 F CA -0.557 57.459 58.000 0.025 0.000 0.945 202 F CB 1.084 40.032 39.000 -0.086 0.000 1.298 202 F HN 0.561 nan 8.300 nan 0.000 0.455 203 Y N 0.323 120.884 120.300 0.435 0.000 2.887 203 Y HA -0.033 4.508 4.550 -0.014 0.000 0.467 203 Y C 1.420 177.542 175.900 0.369 0.000 1.191 203 Y CA 0.702 58.984 58.100 0.303 0.000 2.537 203 Y CB -1.936 36.628 38.460 0.174 0.000 1.225 203 Y HN 1.319 nan 8.280 nan 0.000 0.630 204 G N 0.829 109.870 108.800 0.401 0.000 2.645 204 G HA2 0.083 4.035 3.960 -0.014 0.000 0.239 204 G HA3 0.083 4.035 3.960 -0.014 0.000 0.239 204 G C -0.468 174.626 174.900 0.323 0.000 1.331 204 G CA 1.058 46.319 45.100 0.268 0.000 0.890 204 G HN 1.367 nan 8.290 nan 0.000 0.572 205 R N -2.607 118.078 120.500 0.308 0.000 2.766 205 R HA 0.708 5.040 4.340 -0.014 0.000 0.270 205 R C -1.514 174.909 176.300 0.206 0.000 1.035 205 R CA -0.888 55.341 56.100 0.214 0.000 0.911 205 R CB 1.230 31.606 30.300 0.127 0.000 1.243 205 R HN 0.938 nan 8.270 nan 0.000 0.460 206 V N 1.027 120.982 119.914 0.068 0.000 2.398 206 V HA 0.364 4.476 4.120 -0.014 0.000 0.286 206 V C -0.267 175.761 176.094 -0.111 0.000 1.026 206 V CA -0.565 61.704 62.300 -0.051 0.000 0.868 206 V CB 1.440 33.157 31.823 -0.177 0.000 0.982 206 V HN 0.673 nan 8.190 nan 0.000 0.443 207 E N 3.131 123.249 120.200 -0.137 0.000 2.171 207 E HA 0.406 4.748 4.350 -0.014 0.000 0.271 207 E C -1.032 175.438 176.600 -0.216 0.000 0.916 207 E CA -0.703 55.637 56.400 -0.100 0.000 0.774 207 E CB 1.114 30.802 29.700 -0.021 0.000 1.128 207 E HN 0.651 nan 8.360 nan 0.000 0.403 208 H N 2.435 121.518 119.070 0.021 0.000 2.685 208 H HA 0.189 4.737 4.556 -0.014 0.000 0.286 208 H C -0.338 174.998 175.328 0.013 0.000 1.102 208 H CA -0.219 55.836 56.048 0.013 0.000 1.254 208 H CB 0.783 30.548 29.762 0.005 0.000 1.397 208 H HN 0.437 nan 8.280 nan 0.000 0.473 209 T N -0.025 114.582 114.554 0.088 0.000 2.841 209 T HA 0.289 4.631 4.350 -0.014 0.000 0.283 209 T C 1.139 175.871 174.700 0.053 0.000 1.000 209 T CA -0.226 61.911 62.100 0.062 0.000 0.977 209 T CB 1.945 70.835 68.868 0.038 0.000 0.979 209 T HN 0.522 nan 8.240 nan 0.000 0.446 210 S N 2.619 118.346 115.700 0.045 0.000 2.521 210 S HA -0.374 4.088 4.470 -0.014 0.000 0.517 210 S C 0.947 175.569 174.600 0.036 0.000 0.973 210 S CA 1.952 60.173 58.200 0.035 0.000 3.182 210 S CB -1.379 61.838 63.200 0.027 0.000 2.244 210 S HN 0.861 nan 8.310 nan 0.000 0.529 211 Q N 2.842 122.662 119.800 0.034 0.000 2.819 211 Q HA 0.566 4.898 4.340 -0.014 0.000 0.392 211 Q C 0.248 176.270 176.000 0.037 0.000 1.088 211 Q CA 0.800 56.623 55.803 0.033 0.000 1.062 211 Q CB 0.428 29.182 28.738 0.027 0.000 1.369 211 Q HN 0.971 nan 8.270 nan 0.000 0.434 212 G N -0.384 108.446 108.800 0.051 0.000 2.459 212 G HA2 0.260 4.212 3.960 -0.014 0.000 0.685 212 G HA3 0.260 4.212 3.960 -0.014 0.000 0.685 212 G C -1.096 173.830 174.900 0.045 0.000 1.303 212 G CA -0.650 44.482 45.100 0.054 0.000 0.907 212 G HN 0.464 nan 8.290 nan 0.000 0.632 213 A N 0.364 123.197 122.820 0.021 0.000 2.322 213 A HA 0.832 5.144 4.320 -0.014 0.000 0.269 213 A C 0.368 177.903 177.584 -0.082 0.000 1.094 213 A CA 0.027 51.999 52.037 -0.109 0.000 0.807 213 A CB 0.860 19.757 19.000 -0.172 0.000 1.047 213 A HN 0.778 nan 8.150 nan 0.000 0.487 214 K N 0.589 120.928 120.400 -0.102 0.000 2.482 214 K HA 0.200 4.512 4.320 -0.014 0.000 0.251 214 K C -1.809 174.824 176.600 0.055 0.000 0.936 214 K CA -0.384 55.893 56.287 -0.017 0.000 0.791 214 K CB 1.904 34.398 32.500 -0.011 0.000 1.213 214 K HN 0.727 nan 8.250 nan 0.000 0.428 215 W N 5.054 126.267 121.300 -0.145 0.000 2.358 215 W HA 0.367 5.018 4.660 -0.014 0.000 0.307 215 W C -1.048 175.391 176.519 -0.132 0.000 1.203 215 W CA -0.628 56.632 57.345 -0.142 0.000 1.279 215 W CB 0.436 29.798 29.460 -0.163 0.000 1.264 215 W HN 0.190 nan 8.180 nan 0.000 0.474 216 V N 6.541 126.534 119.914 0.132 0.000 3.046 216 V HA 0.341 4.452 4.120 -0.014 0.000 0.316 216 V C -0.466 175.597 176.094 -0.052 0.000 1.104 216 V CA -0.584 61.699 62.300 -0.028 0.000 1.006 216 V CB 2.092 33.926 31.823 0.019 0.000 1.058 216 V HN 0.459 nan 8.190 nan 0.000 0.440 217 D N 1.419 121.777 120.400 -0.071 0.000 2.689 217 D HA -0.129 4.502 4.640 -0.014 0.000 0.237 217 D C 0.397 176.644 176.300 -0.089 0.000 1.148 217 D CA 1.383 55.346 54.000 -0.063 0.000 0.656 217 D CB -1.227 39.567 40.800 -0.009 0.000 1.050 217 D HN 0.852 nan 8.370 nan 0.000 0.426 218 T N -3.085 111.363 114.554 -0.176 0.000 2.918 218 T HA 0.402 4.743 4.350 -0.014 0.000 0.283 218 T C 0.227 174.897 174.700 -0.050 0.000 1.001 218 T CA -0.883 61.121 62.100 -0.159 0.000 1.041 218 T CB 2.605 71.191 68.868 -0.471 0.000 1.028 218 T HN 0.209 nan 8.240 nan 0.000 0.511 219 Q N 1.368 121.216 119.800 0.080 0.000 2.256 219 Q HA 0.502 4.834 4.340 -0.014 0.000 0.254 219 Q C -1.412 174.657 176.000 0.115 0.000 0.916 219 Q CA -0.812 55.042 55.803 0.086 0.000 0.932 219 Q CB 1.217 30.089 28.738 0.223 0.000 1.207 219 Q HN 0.624 nan 8.270 nan 0.000 0.426 220 V N 4.481 124.418 119.914 0.038 0.000 2.427 220 V HA 0.420 4.531 4.120 -0.014 0.000 0.286 220 V C -0.351 175.797 176.094 0.089 0.000 1.034 220 V CA -0.581 61.703 62.300 -0.026 0.000 0.893 220 V CB 1.694 33.460 31.823 -0.095 0.000 0.982 220 V HN 0.641 nan 8.190 nan 0.000 0.452 221 V N 6.023 126.022 119.914 0.142 0.000 2.604 221 V HA 0.498 4.610 4.120 -0.014 0.000 0.305 221 V C -0.228 175.978 176.094 0.187 0.000 1.043 221 V CA -0.626 61.799 62.300 0.209 0.000 0.888 221 V CB 1.939 33.966 31.823 0.341 0.000 0.995 221 V HN 0.628 nan 8.190 nan 0.000 0.429 222 L N 3.446 124.780 121.223 0.184 0.000 2.357 222 L HA 0.797 5.129 4.340 -0.014 0.000 0.273 222 L C 0.376 177.434 176.870 0.313 0.000 1.080 222 L CA -0.483 54.462 54.840 0.174 0.000 0.803 222 L CB 1.483 43.624 42.059 0.136 0.000 1.174 222 L HN 0.741 nan 8.230 nan 0.000 0.443 223 A N 4.572 127.529 122.820 0.227 0.000 2.267 223 A HA 0.597 4.909 4.320 -0.014 0.000 0.315 223 A C -0.511 177.348 177.584 0.458 0.000 1.297 223 A CA -0.463 51.749 52.037 0.292 0.000 0.865 223 A CB 0.941 19.709 19.000 -0.387 0.000 1.165 223 A HN 0.793 nan 8.150 nan 0.000 0.513 224 M N 6.144 126.068 119.600 0.540 0.000 2.129 224 M HA 0.472 4.944 4.480 -0.014 0.000 0.348 224 M C -2.590 173.987 176.300 0.461 0.000 1.116 224 M CA -2.050 53.508 55.300 0.430 0.000 1.022 224 M CB 1.921 34.704 32.600 0.305 0.000 1.599 224 M HN 0.355 nan 8.290 nan 0.000 0.449 225 P HA 0.265 nan 4.420 nan 0.000 0.286 225 P C -1.945 175.302 177.300 -0.088 0.000 1.261 225 P CA -0.049 62.973 63.100 -0.130 0.000 0.821 225 P CB 0.603 32.008 31.700 -0.493 0.000 1.013 226 Y N 0.415 120.643 120.300 -0.118 0.000 2.338 226 Y HA 0.301 4.842 4.550 -0.014 0.000 0.333 226 Y C 0.043 175.933 175.900 -0.017 0.000 0.968 226 Y CA -0.349 57.746 58.100 -0.007 0.000 1.123 226 Y CB 1.411 39.898 38.460 0.043 0.000 1.165 226 Y HN 0.213 nan 8.280 nan 0.000 0.452 227 D N 2.023 122.540 120.400 0.195 0.000 2.177 227 D HA 0.435 5.066 4.640 -0.014 0.000 0.247 227 D C -0.549 175.984 176.300 0.389 0.000 1.063 227 D CA -0.180 53.983 54.000 0.272 0.000 0.867 227 D CB 1.798 42.808 40.800 0.350 0.000 1.168 227 D HN 0.357 nan 8.370 nan 0.000 0.445 228 T N 2.893 117.571 114.554 0.205 0.000 2.848 228 T HA 0.457 4.799 4.350 -0.014 0.000 0.285 228 T C -2.565 171.940 174.700 -0.325 0.000 0.995 228 T CA -1.437 60.670 62.100 0.011 0.000 0.970 228 T CB 2.148 71.029 68.868 0.021 0.000 0.976 228 T HN 0.172 nan 8.240 nan 0.000 0.441 229 P HA 0.333 nan 4.420 nan 0.000 0.275 229 P C -0.993 175.960 177.300 -0.579 0.000 1.227 229 P CA -0.403 61.979 63.100 -1.197 0.000 0.781 229 P CB 0.859 31.651 31.700 -1.513 0.000 0.906 230 V N 4.974 124.615 119.914 -0.455 0.000 2.327 230 V HA 0.247 4.359 4.120 -0.014 0.000 0.272 230 V C -2.099 173.864 176.094 -0.217 0.000 1.019 230 V CA -1.893 60.244 62.300 -0.272 0.000 0.814 230 V CB 1.332 33.045 31.823 -0.183 0.000 1.040 230 V HN 0.542 nan 8.190 nan 0.000 0.440 231 P HA 0.243 nan 4.420 nan 0.000 0.281 231 P C 0.413 177.664 177.300 -0.081 0.000 1.252 231 P CA 0.395 63.411 63.100 -0.141 0.000 0.778 231 P CB 1.571 33.185 31.700 -0.143 0.000 0.895 232 G N 2.426 111.196 108.800 -0.051 0.000 2.599 232 G HA2 0.137 4.089 3.960 -0.014 0.000 0.264 232 G HA3 0.137 4.089 3.960 -0.014 0.000 0.264 232 G C -1.181 173.732 174.900 0.021 0.000 1.200 232 G CA -0.601 44.498 45.100 -0.003 0.000 0.896 232 G HN 0.522 nan 8.290 nan 0.000 0.536 233 Y N 0.440 120.705 120.300 -0.060 0.000 2.584 233 Y HA 0.285 4.827 4.550 -0.014 0.000 0.351 233 Y C 1.233 177.098 175.900 -0.058 0.000 1.030 233 Y CA -0.266 57.794 58.100 -0.065 0.000 1.332 233 Y CB 0.139 38.559 38.460 -0.066 0.000 1.148 233 Y HN 0.705 nan 8.280 nan 0.000 0.528 234 R N 2.883 123.036 120.500 -0.578 0.000 3.610 234 R HA -0.315 4.016 4.340 -0.014 0.000 0.274 234 R C -0.100 176.048 176.300 -0.254 0.000 1.123 234 R CA 1.510 57.310 56.100 -0.500 0.000 0.747 234 R CB -1.881 27.938 30.300 -0.801 0.000 1.149 234 R HN 0.952 nan 8.270 nan 0.000 0.471 235 N N -1.569 117.039 118.700 -0.153 0.000 2.170 235 N HA 0.088 4.820 4.740 -0.014 0.000 0.222 235 N C -0.247 175.216 175.510 -0.079 0.000 1.218 235 N CA -0.387 52.609 53.050 -0.091 0.000 0.889 235 N CB 0.561 39.020 38.487 -0.048 0.000 1.083 235 N HN 0.079 nan 8.380 nan 0.000 0.520 236 N N -0.244 118.406 118.700 -0.084 0.000 2.741 236 N HA -0.132 4.600 4.740 -0.014 0.000 0.251 236 N C -1.130 174.339 175.510 -0.068 0.000 1.112 236 N CA 0.572 53.582 53.050 -0.067 0.000 0.750 236 N CB -1.294 37.154 38.487 -0.064 0.000 1.119 236 N HN 0.214 nan 8.380 nan 0.000 0.561 237 V N 1.023 120.900 119.914 -0.062 0.000 2.427 237 V HA 0.510 4.621 4.120 -0.014 0.000 0.286 237 V C 0.416 176.480 176.094 -0.049 0.000 1.034 237 V CA -0.578 61.689 62.300 -0.054 0.000 0.893 237 V CB 2.260 34.072 31.823 -0.018 0.000 0.982 237 V HN -0.044 nan 8.190 nan 0.000 0.452 238 V N 5.335 125.225 119.914 -0.039 0.000 2.398 238 V HA 0.438 4.550 4.120 -0.014 0.000 0.282 238 V C -0.119 175.965 176.094 -0.017 0.000 1.014 238 V CA -0.866 61.387 62.300 -0.079 0.000 0.838 238 V CB 1.396 33.167 31.823 -0.088 0.000 1.018 238 V HN 0.823 nan 8.190 nan 0.000 0.432 239 N N 1.900 120.566 118.700 -0.056 0.000 2.405 239 N HA 0.561 5.293 4.740 -0.014 0.000 0.269 239 N C 0.012 175.512 175.510 -0.018 0.000 1.249 239 N CA -0.247 52.800 53.050 -0.006 0.000 0.974 239 N CB 1.126 39.572 38.487 -0.068 0.000 1.204 239 N HN 0.580 nan 8.380 nan 0.000 0.565 240 T N 0.750 115.328 114.554 0.040 0.000 2.841 240 T HA 0.412 4.754 4.350 -0.014 0.000 0.283 240 T C -0.268 174.430 174.700 -0.002 0.000 1.000 240 T CA -0.513 61.676 62.100 0.149 0.000 0.977 240 T CB 1.015 70.122 68.868 0.397 0.000 0.979 240 T HN 0.320 nan 8.240 nan 0.000 0.446 241 M N 3.801 123.354 119.600 -0.078 0.000 2.066 241 M HA 0.499 4.971 4.480 -0.014 0.000 0.340 241 M C -0.468 175.690 176.300 -0.236 0.000 1.053 241 M CA -0.741 54.422 55.300 -0.227 0.000 0.983 241 M CB 0.633 33.050 32.600 -0.304 0.000 1.520 241 M HN 0.459 nan 8.290 nan 0.000 0.428 242 R N 4.633 124.874 120.500 -0.432 0.000 2.229 242 R HA 0.527 4.859 4.340 -0.014 0.000 0.332 242 R C -1.863 174.131 176.300 -0.509 0.000 0.989 242 R CA -0.564 55.218 56.100 -0.530 0.000 0.842 242 R CB 0.815 30.585 30.300 -0.883 0.000 1.119 242 R HN 0.644 nan 8.270 nan 0.000 0.456 243 L N 5.687 126.725 121.223 -0.307 0.000 2.313 243 L HA 0.454 4.785 4.340 -0.014 0.000 0.283 243 L C -1.026 175.797 176.870 -0.079 0.000 1.013 243 L CA -0.589 54.173 54.840 -0.130 0.000 0.816 243 L CB 1.138 43.208 42.059 0.019 0.000 1.236 243 L HN 0.629 nan 8.230 nan 0.000 0.419 244 W N 2.354 123.775 121.300 0.201 0.000 2.376 244 W HA 0.598 5.250 4.660 -0.014 0.000 0.322 244 W C 0.531 177.281 176.519 0.385 0.000 1.160 244 W CA -0.298 57.198 57.345 0.252 0.000 1.218 244 W CB 1.419 30.899 29.460 0.033 0.000 1.205 244 W HN 0.414 nan 8.180 nan 0.000 0.559 245 S N 1.660 117.782 115.700 0.703 0.000 2.500 245 S HA 0.751 5.213 4.470 -0.014 0.000 0.301 245 S C -0.412 174.532 174.600 0.572 0.000 1.092 245 S CA -0.711 57.796 58.200 0.512 0.000 1.030 245 S CB 0.618 64.063 63.200 0.407 0.000 1.031 245 S HN 0.520 nan 8.310 nan 0.000 0.483 246 A N 4.680 127.669 122.820 0.281 0.000 2.401 246 A HA 0.637 4.949 4.320 -0.014 0.000 0.259 246 A C -0.022 177.655 177.584 0.156 0.000 1.103 246 A CA -0.150 51.959 52.037 0.120 0.000 0.789 246 A CB 0.357 19.178 19.000 -0.298 0.000 1.035 246 A HN 0.656 nan 8.150 nan 0.000 0.491 247 K N 0.834 121.345 120.400 0.186 0.000 2.464 247 K HA 0.611 4.923 4.320 -0.014 0.000 0.253 247 K C -0.762 175.909 176.600 0.119 0.000 0.933 247 K CA -0.458 55.915 56.287 0.144 0.000 0.801 247 K CB 2.343 34.942 32.500 0.165 0.000 1.271 247 K HN 0.845 nan 8.250 nan 0.000 0.430 248 A N 3.969 126.841 122.820 0.087 0.000 2.327 248 A HA 0.522 4.834 4.320 -0.014 0.000 0.283 248 A C -2.217 175.416 177.584 0.081 0.000 1.127 248 A CA -1.221 50.864 52.037 0.079 0.000 0.810 248 A CB -0.046 18.989 19.000 0.059 0.000 1.066 248 A HN 0.334 nan 8.150 nan 0.000 0.492 249 P HA 0.103 nan 4.420 nan 0.000 0.274 249 P C -0.100 177.246 177.300 0.077 0.000 1.231 249 P CA -0.381 62.770 63.100 0.085 0.000 0.790 249 P CB 0.675 32.438 31.700 0.105 0.000 0.951 250 N N 0.917 119.653 118.700 0.059 0.000 2.398 250 N HA -0.077 4.655 4.740 -0.014 0.000 0.188 250 N C 0.562 176.097 175.510 0.043 0.000 1.122 250 N CA 0.308 53.387 53.050 0.048 0.000 0.866 250 N CB -0.421 38.089 38.487 0.038 0.000 0.970 250 N HN 0.426 nan 8.380 nan 0.000 0.462 251 D N 0.824 121.249 120.400 0.042 0.000 2.230 251 D HA -0.087 4.545 4.640 -0.014 0.000 0.274 251 D C 1.554 177.872 176.300 0.031 0.000 1.222 251 D CA -0.064 53.931 54.000 -0.008 0.000 0.943 251 D CB -0.996 39.767 40.800 -0.061 0.000 0.920 251 D HN 0.049 nan 8.370 nan 0.000 0.300 252 F N 0.785 120.755 119.950 0.034 0.000 2.141 252 F HA -0.221 4.298 4.527 -0.014 0.000 0.300 252 F C 1.525 177.351 175.800 0.044 0.000 1.079 252 F CA 1.280 59.306 58.000 0.045 0.000 1.264 252 F CB -0.437 38.590 39.000 0.044 0.000 1.011 252 F HN 0.048 nan 8.300 nan 0.000 0.487 253 N N 0.780 119.618 118.700 0.230 0.000 3.115 253 N HA 0.061 4.792 4.740 -0.014 0.000 0.305 253 N C 0.572 176.138 175.510 0.094 0.000 1.305 253 N CA 0.133 53.264 53.050 0.136 0.000 1.154 253 N CB 0.027 38.572 38.487 0.097 0.000 1.454 253 N HN 0.145 nan 8.380 nan 0.000 0.551 254 L N -0.612 120.679 121.223 0.115 0.000 1.433 254 L HA -0.120 4.212 4.340 -0.014 0.000 0.146 254 L C 1.345 178.281 176.870 0.111 0.000 1.334 254 L CA 0.883 55.776 54.840 0.088 0.000 1.267 254 L CB -0.988 41.110 42.059 0.066 0.000 2.547 254 L HN 0.290 nan 8.230 nan 0.000 0.476 255 K N 0.324 120.769 120.400 0.074 0.000 2.296 255 K HA -0.039 4.273 4.320 -0.014 0.000 0.200 255 K C 0.502 177.158 176.600 0.093 0.000 1.048 255 K CA 1.080 57.364 56.287 -0.006 0.000 0.966 255 K CB -0.052 32.324 32.500 -0.206 0.000 0.754 255 K HN 0.162 nan 8.250 nan 0.000 0.466 256 D N 2.116 122.683 120.400 0.278 0.000 2.441 256 D HA -0.021 4.610 4.640 -0.014 0.000 0.243 256 D C -0.195 176.328 176.300 0.372 0.000 1.257 256 D CA -0.171 54.088 54.000 0.431 0.000 1.027 256 D CB -0.129 40.946 40.800 0.458 0.000 1.084 256 D HN 0.201 nan 8.370 nan 0.000 0.514 257 F N 1.436 121.433 119.950 0.078 0.000 2.331 257 F HA 0.314 4.832 4.527 -0.014 0.000 0.293 257 F C 0.570 176.401 175.800 0.053 0.000 1.277 257 F CA -1.891 56.143 58.000 0.056 0.000 1.204 257 F CB -0.319 38.700 39.000 0.033 0.000 1.374 257 F HN 0.358 nan 8.300 nan 0.000 0.520 258 N N -0.580 117.992 118.700 -0.212 0.000 3.506 258 N HA 0.055 4.786 4.740 -0.014 0.000 0.257 258 N C -1.688 173.756 175.510 -0.109 0.000 1.059 258 N CA 0.479 53.342 53.050 -0.312 0.000 0.672 258 N CB -0.935 37.223 38.487 -0.549 0.000 1.178 258 N HN 0.831 nan 8.380 nan 0.000 0.593 259 V N -1.529 118.372 119.914 -0.022 0.000 3.627 259 V HA -0.043 4.069 4.120 -0.014 0.000 0.518 259 V C 1.327 177.429 176.094 0.013 0.000 0.682 259 V CA 1.628 63.931 62.300 0.004 0.000 2.073 259 V CB -0.859 30.956 31.823 -0.013 0.000 2.489 259 V HN 0.996 nan 8.190 nan 0.000 0.513 260 G N 1.107 109.924 108.800 0.028 0.000 3.758 260 G HA2 0.667 4.619 3.960 -0.014 0.000 0.206 260 G HA3 0.667 4.619 3.960 -0.014 0.000 0.206 260 G C 0.876 175.797 174.900 0.034 0.000 0.946 260 G CA 1.203 46.318 45.100 0.025 0.000 0.885 260 G HN 2.986 nan 8.290 nan 0.000 0.392 261 G N -0.994 107.841 108.800 0.059 0.000 3.014 261 G HA2 0.255 4.207 3.960 -0.014 0.000 0.683 261 G HA3 0.255 4.207 3.960 -0.014 0.000 0.683 261 G C -0.074 174.885 174.900 0.098 0.000 1.271 261 G CA 0.199 45.345 45.100 0.076 0.000 0.843 261 G HN 1.396 nan 8.290 nan 0.000 0.612 262 Y N 3.326 123.642 120.300 0.028 0.000 2.163 262 Y HA -0.010 4.532 4.550 -0.014 0.000 0.288 262 Y C 2.511 178.426 175.900 0.026 0.000 1.136 262 Y CA 2.167 60.284 58.100 0.030 0.000 1.147 262 Y CB 0.001 38.476 38.460 0.026 0.000 0.987 262 Y HN 0.497 nan 8.280 nan 0.000 0.509 263 I N 0.520 121.047 120.570 -0.073 0.000 2.142 263 I HA -0.297 3.865 4.170 -0.014 0.000 0.240 263 I C 2.382 178.408 176.117 -0.152 0.000 1.078 263 I CA 1.475 62.681 61.300 -0.156 0.000 1.343 263 I CB -1.383 36.624 38.000 0.012 0.000 1.046 263 I HN 0.349 nan 8.210 nan 0.000 0.405 264 Q N 0.628 120.387 119.800 -0.068 0.000 2.135 264 Q HA -0.146 4.186 4.340 -0.014 0.000 0.204 264 Q C 2.335 178.295 176.000 -0.068 0.000 0.981 264 Q CA 1.909 57.683 55.803 -0.049 0.000 0.856 264 Q CB -0.342 28.387 28.738 -0.015 0.000 0.902 264 Q HN 0.555 nan 8.270 nan 0.000 0.425 265 A N -0.340 122.426 122.820 -0.090 0.000 1.902 265 A HA -0.125 4.186 4.320 -0.014 0.000 0.217 265 A C 2.369 179.885 177.584 -0.113 0.000 1.181 265 A CA 1.605 53.596 52.037 -0.076 0.000 0.623 265 A CB -0.557 18.410 19.000 -0.055 0.000 0.818 265 A HN 0.233 nan 8.150 nan 0.000 0.443 266 V N 0.113 119.895 119.914 -0.220 0.000 2.453 266 V HA -0.183 3.929 4.120 -0.014 0.000 0.247 266 V C 2.460 178.493 176.094 -0.102 0.000 1.048 266 V CA 1.636 63.821 62.300 -0.191 0.000 1.049 266 V CB -0.640 30.994 31.823 -0.316 0.000 0.672 266 V HN 0.558 nan 8.190 nan 0.000 0.457 267 L N -0.337 120.831 121.223 -0.092 0.000 2.201 267 L HA -0.111 4.221 4.340 -0.014 0.000 0.212 267 L C 1.923 178.775 176.870 -0.029 0.000 1.105 267 L CA 1.112 55.923 54.840 -0.049 0.000 0.775 267 L CB -0.613 41.422 42.059 -0.040 0.000 0.913 267 L HN 0.314 nan 8.230 nan 0.000 0.440 268 D N 0.082 120.463 120.400 -0.031 0.000 2.378 268 D HA -0.064 4.568 4.640 -0.014 0.000 0.227 268 D C 2.125 178.422 176.300 -0.005 0.000 1.012 268 D CA 0.440 54.431 54.000 -0.015 0.000 0.905 268 D CB 0.047 40.840 40.800 -0.012 0.000 0.895 268 D HN 0.219 nan 8.370 nan 0.000 0.532 269 R N 0.408 120.904 120.500 -0.007 0.000 2.152 269 R HA 0.006 4.338 4.340 -0.014 0.000 0.232 269 R C 0.380 176.687 176.300 0.012 0.000 1.117 269 R CA 0.529 56.634 56.100 0.008 0.000 0.981 269 R CB -0.043 30.261 30.300 0.007 0.000 0.870 269 R HN 0.063 nan 8.270 nan 0.000 0.451 270 N N 1.036 119.741 118.700 0.008 0.000 3.178 270 N HA 0.021 4.753 4.740 -0.014 0.000 0.300 270 N C 0.018 175.533 175.510 0.009 0.000 1.242 270 N CA 0.449 53.508 53.050 0.015 0.000 1.192 270 N CB 1.102 39.600 38.487 0.019 0.000 1.463 270 N HN 0.110 nan 8.380 nan 0.000 0.539 271 L N -0.514 120.711 121.223 0.003 0.000 3.188 271 L HA 0.220 4.552 4.340 -0.014 0.000 0.327 271 L C 1.612 178.468 176.870 -0.023 0.000 1.009 271 L CA 0.456 55.292 54.840 -0.006 0.000 1.373 271 L CB -0.158 41.898 42.059 -0.005 0.000 2.331 271 L HN 0.243 nan 8.230 nan 0.000 0.594 272 A N -0.803 122.008 122.820 -0.016 0.000 2.044 272 A HA 0.112 4.423 4.320 -0.014 0.000 0.213 272 A C 1.685 179.235 177.584 -0.056 0.000 1.169 272 A CA 0.756 52.772 52.037 -0.035 0.000 0.724 272 A CB -0.094 18.914 19.000 0.014 0.000 0.840 272 A HN 0.395 nan 8.150 nan 0.000 0.463 273 E N 0.195 120.382 120.200 -0.021 0.000 2.478 273 E HA -0.020 4.322 4.350 -0.014 0.000 0.194 273 E C 0.808 177.399 176.600 -0.015 0.000 1.045 273 E CA -0.081 56.311 56.400 -0.014 0.000 0.868 273 E CB -0.017 29.700 29.700 0.028 0.000 0.885 273 E HN 0.391 nan 8.360 nan 0.000 0.505 274 N N 0.954 119.645 118.700 -0.015 0.000 2.459 274 N HA -0.043 4.689 4.740 -0.014 0.000 0.181 274 N C 1.567 177.077 175.510 -0.000 0.000 1.046 274 N CA 0.514 53.573 53.050 0.015 0.000 0.904 274 N CB 0.055 38.550 38.487 0.014 0.000 0.964 274 N HN 0.234 nan 8.380 nan 0.000 0.444 275 I N 0.357 120.870 120.570 -0.095 0.000 2.194 275 I HA -0.258 3.904 4.170 -0.014 0.000 0.246 275 I C 1.458 177.529 176.117 -0.077 0.000 1.093 275 I CA 1.288 62.496 61.300 -0.154 0.000 1.355 275 I CB -0.124 37.623 38.000 -0.421 0.000 1.046 275 I HN 0.134 nan 8.210 nan 0.000 0.413 276 S N -0.556 115.094 115.700 -0.084 0.000 2.582 276 S HA 0.158 4.620 4.470 -0.014 0.000 0.234 276 S C 1.512 176.231 174.600 0.199 0.000 0.961 276 S CA -0.535 57.695 58.200 0.050 0.000 0.953 276 S CB 0.142 63.353 63.200 0.019 0.000 0.800 276 S HN 0.249 nan 8.310 nan 0.000 0.471 277 R N 1.045 121.665 120.500 0.200 0.000 2.073 277 R HA 0.236 4.568 4.340 -0.014 0.000 0.229 277 R C 0.428 176.963 176.300 0.392 0.000 1.120 277 R CA 1.203 57.463 56.100 0.267 0.000 0.967 277 R CB -0.126 30.308 30.300 0.224 0.000 0.862 277 R HN 0.386 nan 8.270 nan 0.000 0.436 278 V N 0.383 120.490 119.914 0.323 0.000 2.888 278 V HA 0.374 4.486 4.120 -0.014 0.000 0.309 278 V C -1.484 174.553 176.094 -0.094 0.000 1.114 278 V CA -1.328 61.085 62.300 0.189 0.000 0.940 278 V CB 1.815 33.683 31.823 0.074 0.000 1.021 278 V HN 0.183 nan 8.190 nan 0.000 0.426 279 L N 6.097 127.028 121.223 -0.486 0.000 2.371 279 L HA 0.515 4.847 4.340 -0.014 0.000 0.272 279 L C -0.959 175.719 176.870 -0.320 0.000 1.124 279 L CA 0.325 54.662 54.840 -0.840 0.000 0.816 279 L CB 0.810 42.276 42.059 -0.989 0.000 1.129 279 L HN 0.691 nan 8.230 nan 0.000 0.448 280 Y N 6.067 126.271 120.300 -0.159 0.000 2.436 280 Y HA 0.238 4.780 4.550 -0.014 0.000 0.336 280 Y C -1.414 174.476 175.900 -0.016 0.000 1.049 280 Y CA -1.370 56.715 58.100 -0.026 0.000 1.294 280 Y CB 0.487 38.960 38.460 0.022 0.000 1.179 280 Y HN 0.558 nan 8.280 nan 0.000 0.520 281 P HA -0.018 nan 4.420 nan 0.000 0.259 281 P C -0.865 176.561 177.300 0.211 0.000 1.480 281 P CA 0.258 63.460 63.100 0.170 0.000 0.842 281 P CB 0.011 31.910 31.700 0.332 0.000 1.513 282 N N 1.165 119.999 118.700 0.224 0.000 2.456 282 N HA 0.170 4.902 4.740 -0.014 0.000 0.288 282 N C -0.475 175.181 175.510 0.244 0.000 1.059 282 N CA 0.114 53.318 53.050 0.257 0.000 0.946 282 N CB 1.303 39.986 38.487 0.327 0.000 1.150 282 N HN 0.093 nan 8.380 nan 0.000 0.479 283 D N 1.572 122.152 120.400 0.301 0.000 2.492 283 D HA 0.140 4.772 4.640 -0.014 0.000 0.248 283 D C -0.480 176.121 176.300 0.501 0.000 1.101 283 D CA -0.213 53.995 54.000 0.345 0.000 0.840 283 D CB 0.500 41.508 40.800 0.347 0.000 1.209 283 D HN 0.369 nan 8.370 nan 0.000 0.524 284 N N 2.842 121.755 118.700 0.354 0.000 2.714 284 N HA -0.255 4.477 4.740 -0.014 0.000 0.253 284 N C -1.268 174.490 175.510 0.413 0.000 1.024 284 N CA 0.723 53.948 53.050 0.293 0.000 0.726 284 N CB -0.962 37.618 38.487 0.155 0.000 0.908 284 N HN 0.402 nan 8.380 nan 0.000 0.542 285 F N 0.843 120.902 119.950 0.181 0.000 2.639 285 F HA 0.369 4.888 4.527 -0.014 0.000 0.326 285 F C -1.304 174.579 175.800 0.139 0.000 1.150 285 F CA -1.049 57.029 58.000 0.130 0.000 1.057 285 F CB 0.823 39.866 39.000 0.072 0.000 1.300 285 F HN 0.004 nan 8.300 nan 0.000 0.486 286 F N 5.986 125.498 119.950 -0.730 0.000 2.411 286 F HA 0.503 5.022 4.527 -0.014 0.000 0.350 286 F C -0.353 175.037 175.800 -0.685 0.000 1.114 286 F CA -0.078 57.575 58.000 -0.579 0.000 1.135 286 F CB 0.705 39.408 39.000 -0.496 0.000 1.120 286 F HN 0.494 nan 8.300 nan 0.000 0.495 287 E N 3.869 123.454 120.200 -1.026 0.000 2.155 287 E HA 0.250 4.592 4.350 -0.014 0.000 0.264 287 E C -0.208 175.604 176.600 -1.314 0.000 0.886 287 E CA -0.704 55.152 56.400 -0.907 0.000 0.752 287 E CB 1.647 31.169 29.700 -0.296 0.000 1.133 287 E HN 0.927 nan 8.360 nan 0.000 0.414 288 G N 4.545 112.555 108.800 -1.316 0.000 3.458 288 G HA2 0.036 3.988 3.960 -0.014 0.000 0.256 288 G HA3 0.036 3.988 3.960 -0.014 0.000 0.256 288 G C 0.082 174.933 174.900 -0.083 0.000 0.938 288 G CA -0.240 44.306 45.100 -0.924 0.000 1.890 288 G HN 0.131 nan 8.290 nan 0.000 0.639 289 K N 0.336 120.738 120.400 0.004 0.000 2.118 289 K HA 0.205 4.516 4.320 -0.014 0.000 0.267 289 K C 0.968 177.712 176.600 0.241 0.000 0.991 289 K CA -0.754 55.614 56.287 0.135 0.000 0.916 289 K CB 2.159 34.732 32.500 0.122 0.000 1.041 289 K HN 0.401 nan 8.250 nan 0.000 0.455 290 E N 1.341 121.641 120.200 0.167 0.000 2.110 290 E HA -0.195 4.147 4.350 -0.014 0.000 0.193 290 E C 1.501 178.137 176.600 0.060 0.000 0.988 290 E CA 0.842 57.291 56.400 0.082 0.000 0.804 290 E CB 0.153 29.902 29.700 0.082 0.000 0.745 290 E HN 0.395 nan 8.360 nan 0.000 0.458 291 L N 1.386 122.689 121.223 0.135 0.000 2.042 291 L HA -0.188 4.144 4.340 -0.014 0.000 0.210 291 L C 2.421 179.417 176.870 0.209 0.000 1.076 291 L CA 1.629 56.572 54.840 0.172 0.000 0.749 291 L CB -0.532 41.693 42.059 0.276 0.000 0.893 291 L HN 0.034 nan 8.230 nan 0.000 0.432 292 R N -0.469 120.128 120.500 0.161 0.000 2.070 292 R HA -0.141 4.190 4.340 -0.014 0.000 0.233 292 R C 2.246 178.623 176.300 0.129 0.000 1.137 292 R CA 1.836 57.968 56.100 0.055 0.000 0.945 292 R CB -1.320 28.853 30.300 -0.211 0.000 0.845 292 R HN 0.419 nan 8.270 nan 0.000 0.430 293 L N 1.538 122.745 121.223 -0.026 0.000 2.079 293 L HA -0.150 4.182 4.340 -0.014 0.000 0.210 293 L C 1.990 178.813 176.870 -0.077 0.000 1.081 293 L CA 1.906 56.521 54.840 -0.376 0.000 0.752 293 L CB -0.401 41.103 42.059 -0.926 0.000 0.896 293 L HN 0.069 nan 8.230 nan 0.000 0.433 294 K N -1.123 119.279 120.400 0.004 0.000 2.057 294 K HA -0.173 4.139 4.320 -0.014 0.000 0.207 294 K C 2.100 178.850 176.600 0.250 0.000 1.049 294 K CA 1.688 58.038 56.287 0.104 0.000 0.931 294 K CB -0.105 32.313 32.500 -0.138 0.000 0.714 294 K HN 0.511 nan 8.250 nan 0.000 0.440 295 Q N 0.349 120.275 119.800 0.209 0.000 2.084 295 Q HA -0.183 4.149 4.340 -0.014 0.000 0.202 295 Q C 1.880 178.074 176.000 0.322 0.000 0.978 295 Q CA 1.366 57.343 55.803 0.289 0.000 0.844 295 Q CB 0.006 28.942 28.738 0.329 0.000 0.898 295 Q HN 0.372 nan 8.270 nan 0.000 0.426 296 E N -0.169 120.181 120.200 0.250 0.000 2.077 296 E HA -0.208 4.134 4.350 -0.014 0.000 0.193 296 E C 1.683 178.396 176.600 0.190 0.000 0.989 296 E CA 1.001 57.531 56.400 0.216 0.000 0.800 296 E CB -0.084 29.725 29.700 0.182 0.000 0.746 296 E HN 0.320 nan 8.360 nan 0.000 0.452 297 Y N 0.177 120.526 120.300 0.081 0.000 2.286 297 Y HA -0.165 4.377 4.550 -0.014 0.000 0.293 297 Y C 1.895 177.831 175.900 0.060 0.000 1.124 297 Y CA 0.831 58.931 58.100 0.000 0.000 1.178 297 Y CB -0.350 38.069 38.460 -0.067 0.000 1.010 297 Y HN 0.009 nan 8.280 nan 0.000 0.536 298 F N -0.218 119.708 119.950 -0.041 0.000 2.065 298 F HA -0.254 4.265 4.527 -0.014 0.000 0.298 298 F C 2.476 178.116 175.800 -0.266 0.000 1.112 298 F CA 2.130 60.065 58.000 -0.109 0.000 1.212 298 F CB -1.076 38.008 39.000 0.140 0.000 0.975 298 F HN -0.081 nan 8.300 nan 0.000 0.476 299 V N -0.466 119.399 119.914 -0.082 0.000 2.515 299 V HA -0.191 3.920 4.120 -0.014 0.000 0.250 299 V C 2.125 178.068 176.094 -0.253 0.000 1.058 299 V CA 1.792 64.005 62.300 -0.145 0.000 1.064 299 V CB -0.330 31.617 31.823 0.208 0.000 0.675 299 V HN 0.288 nan 8.190 nan 0.000 0.461 300 V N 0.254 120.020 119.914 -0.247 0.000 2.283 300 V HA -0.128 3.984 4.120 -0.014 0.000 0.243 300 V C 2.793 178.630 176.094 -0.429 0.000 1.039 300 V CA 1.996 64.142 62.300 -0.257 0.000 1.016 300 V CB -1.031 30.702 31.823 -0.150 0.000 0.650 300 V HN 0.621 nan 8.190 nan 0.000 0.449 301 A N -0.002 122.398 122.820 -0.698 0.000 1.883 301 A HA -0.194 4.118 4.320 -0.014 0.000 0.217 301 A C 2.394 179.613 177.584 -0.609 0.000 1.186 301 A CA 2.463 54.084 52.037 -0.693 0.000 0.624 301 A CB -0.905 17.455 19.000 -1.066 0.000 0.822 301 A HN 0.589 nan 8.150 nan 0.000 0.444 302 A N -1.259 121.037 122.820 -0.873 0.000 1.873 302 A HA -0.063 4.249 4.320 -0.014 0.000 0.215 302 A C 2.322 179.413 177.584 -0.821 0.000 1.186 302 A CA 2.283 53.633 52.037 -1.145 0.000 0.616 302 A CB -1.339 16.341 19.000 -2.199 0.000 0.823 302 A HN 0.435 nan 8.150 nan 0.000 0.442 303 T N 0.473 114.664 114.554 -0.605 0.000 2.684 303 T HA -0.125 4.217 4.350 -0.014 0.000 0.267 303 T C 1.824 176.252 174.700 -0.454 0.000 1.036 303 T CA 1.521 63.406 62.100 -0.358 0.000 1.148 303 T CB -0.399 68.242 68.868 -0.378 0.000 0.863 303 T HN 0.334 nan 8.240 nan 0.000 0.436 304 L N 0.635 121.634 121.223 -0.374 0.000 2.046 304 L HA -0.163 4.169 4.340 -0.014 0.000 0.208 304 L C 2.930 179.676 176.870 -0.207 0.000 1.077 304 L CA 1.409 56.078 54.840 -0.285 0.000 0.747 304 L CB -0.469 41.464 42.059 -0.209 0.000 0.896 304 L HN 0.347 nan 8.230 nan 0.000 0.432 305 Q N -0.701 118.982 119.800 -0.195 0.000 2.124 305 Q HA -0.249 4.082 4.340 -0.014 0.000 0.202 305 Q C 1.710 177.674 176.000 -0.059 0.000 0.977 305 Q CA 1.665 57.404 55.803 -0.106 0.000 0.850 305 Q CB -0.097 28.571 28.738 -0.117 0.000 0.901 305 Q HN 0.414 nan 8.270 nan 0.000 0.429 306 D N 0.410 120.765 120.400 -0.075 0.000 2.144 306 D HA -0.067 4.565 4.640 -0.014 0.000 0.200 306 D C 1.638 177.867 176.300 -0.119 0.000 0.978 306 D CA 0.743 54.736 54.000 -0.012 0.000 0.833 306 D CB 0.045 40.932 40.800 0.145 0.000 0.961 306 D HN 0.165 nan 8.370 nan 0.000 0.470 307 I N 0.017 120.410 120.570 -0.296 0.000 2.202 307 I HA -0.210 3.952 4.170 -0.014 0.000 0.242 307 I C 2.230 178.347 176.117 0.000 0.000 1.091 307 I CA 0.696 61.769 61.300 -0.378 0.000 1.368 307 I CB -0.061 37.562 38.000 -0.628 0.000 1.058 307 I HN 0.016 nan 8.210 nan 0.000 0.410 308 I N 0.330 120.953 120.570 0.089 0.000 2.252 308 I HA -0.273 3.889 4.170 -0.014 0.000 0.245 308 I C 2.774 179.037 176.117 0.244 0.000 1.102 308 I CA 1.045 62.512 61.300 0.279 0.000 1.385 308 I CB -0.352 37.769 38.000 0.202 0.000 1.064 308 I HN 0.186 nan 8.210 nan 0.000 0.414 309 R N 1.194 121.769 120.500 0.126 0.000 2.083 309 R HA -0.227 4.105 4.340 -0.014 0.000 0.237 309 R C 2.445 178.806 176.300 0.103 0.000 1.137 309 R CA 1.737 57.897 56.100 0.100 0.000 0.951 309 R CB -0.286 30.052 30.300 0.063 0.000 0.851 309 R HN 0.206 nan 8.270 nan 0.000 0.434 310 R N -0.694 119.868 120.500 0.103 0.000 2.096 310 R HA -0.167 4.165 4.340 -0.014 0.000 0.235 310 R C 2.177 178.572 176.300 0.157 0.000 1.127 310 R CA 1.792 57.965 56.100 0.122 0.000 0.968 310 R CB -0.354 30.016 30.300 0.117 0.000 0.861 310 R HN 0.286 nan 8.270 nan 0.000 0.440 311 F N 1.608 121.578 119.950 0.033 0.000 2.146 311 F HA -0.109 4.409 4.527 -0.014 0.000 0.298 311 F C 1.699 177.450 175.800 -0.081 0.000 1.096 311 F CA 1.434 59.412 58.000 -0.038 0.000 1.275 311 F CB -0.022 38.987 39.000 0.016 0.000 1.008 311 F HN -0.176 nan 8.300 nan 0.000 0.480 312 K N -0.014 120.316 120.400 -0.117 0.000 2.211 312 K HA -0.114 4.198 4.320 -0.014 0.000 0.204 312 K C 2.116 178.626 176.600 -0.151 0.000 1.047 312 K CA 1.381 57.541 56.287 -0.212 0.000 0.935 312 K CB -0.245 32.253 32.500 -0.003 0.000 0.728 312 K HN 0.291 nan 8.250 nan 0.000 0.452 313 S N 0.221 115.890 115.700 -0.051 0.000 2.324 313 S HA -0.038 4.423 4.470 -0.014 0.000 0.210 313 S C 1.356 175.970 174.600 0.024 0.000 1.027 313 S CA 0.248 58.469 58.200 0.036 0.000 0.945 313 S CB -0.068 63.214 63.200 0.136 0.000 0.908 313 S HN 0.249 nan 8.310 nan 0.000 0.496 314 S N 0.874 116.596 115.700 0.036 0.000 4.133 314 S HA -0.299 4.163 4.470 -0.014 0.000 0.538 314 S C 1.039 175.642 174.600 0.006 0.000 1.028 314 S CA 2.146 60.375 58.200 0.048 0.000 3.467 314 S CB -0.588 62.668 63.200 0.094 0.000 2.265 314 S HN 0.475 nan 8.310 nan 0.000 0.494 315 K N -0.518 119.931 120.400 0.080 0.000 2.483 315 K HA 0.465 4.776 4.320 -0.014 0.000 0.206 315 K C 0.962 177.438 176.600 -0.207 0.000 1.086 315 K CA 0.024 56.246 56.287 -0.109 0.000 1.052 315 K CB 0.224 32.609 32.500 -0.193 0.000 0.904 315 K HN 0.410 nan 8.250 nan 0.000 0.557 316 F N -1.222 118.589 119.950 -0.231 0.000 2.582 316 F HA 0.203 4.722 4.527 -0.014 0.000 0.290 316 F C 1.780 177.462 175.800 -0.197 0.000 1.115 316 F CA -0.056 57.794 58.000 -0.250 0.000 1.445 316 F CB 0.468 39.201 39.000 -0.444 0.000 1.126 316 F HN 0.029 nan 8.300 nan 0.000 0.574 317 G N -1.328 107.487 108.800 0.025 0.000 3.452 317 G HA2 0.211 4.162 3.960 -0.014 0.000 0.258 317 G HA3 0.211 4.162 3.960 -0.014 0.000 0.258 317 G C 0.180 175.082 174.900 0.003 0.000 1.305 317 G CA 0.269 45.370 45.100 0.001 0.000 1.514 317 G HN 0.420 nan 8.290 nan 0.000 0.593 318 C N -1.441 117.845 119.300 -0.023 0.000 3.478 318 C HA 0.354 4.805 4.460 -0.014 0.000 0.456 318 C C 1.322 176.281 174.990 -0.052 0.000 1.344 318 C CA 0.727 59.725 59.018 -0.034 0.000 2.265 318 C CB 0.538 28.246 27.740 -0.053 0.000 2.855 318 C HN 0.587 nan 8.230 nan 0.000 0.464 319 R N 1.027 121.472 120.500 -0.091 0.000 3.342 319 R HA 0.352 4.684 4.340 -0.014 0.000 0.093 319 R C -0.395 175.810 176.300 -0.159 0.000 0.672 319 R CA 0.963 57.003 56.100 -0.100 0.000 0.495 319 R CB -1.013 29.232 30.300 -0.092 0.000 0.508 319 R HN 0.266 nan 8.270 nan 0.000 0.335 320 D N -0.217 120.055 120.400 -0.213 0.000 3.455 320 D HA -0.137 4.495 4.640 -0.014 0.000 0.216 320 D C -1.620 174.585 176.300 -0.159 0.000 1.510 320 D CA 1.497 55.322 54.000 -0.292 0.000 1.128 320 D CB -1.244 39.186 40.800 -0.618 0.000 0.680 320 D HN 0.411 nan 8.370 nan 0.000 0.828 321 P HA 0.041 nan 4.420 nan 0.000 0.225 321 P C 0.372 177.660 177.300 -0.019 0.000 1.148 321 P CA 0.850 63.925 63.100 -0.042 0.000 0.779 321 P CB 0.233 31.936 31.700 0.005 0.000 0.780 322 V N -0.523 119.379 119.914 -0.020 0.000 3.559 322 V HA -0.215 3.897 4.120 -0.014 0.000 0.476 322 V C -0.232 175.878 176.094 0.026 0.000 0.682 322 V CA 1.198 63.498 62.300 -0.001 0.000 1.988 322 V CB -1.255 30.561 31.823 -0.011 0.000 2.423 322 V HN 0.574 nan 8.190 nan 0.000 0.500 323 R N 2.855 123.381 120.500 0.043 0.000 7.363 323 R HA 0.018 4.350 4.340 -0.014 0.000 0.261 323 R C 0.035 176.378 176.300 0.072 0.000 0.794 323 R CA 0.487 56.622 56.100 0.058 0.000 1.826 323 R CB -0.218 30.119 30.300 0.062 0.000 1.258 323 R HN 0.809 nan 8.270 nan 0.000 0.877 324 T N 2.822 117.412 114.554 0.059 0.000 3.042 324 T HA -0.051 4.291 4.350 -0.014 0.000 0.220 324 T C 0.249 174.979 174.700 0.049 0.000 1.051 324 T CA 0.404 62.507 62.100 0.005 0.000 2.347 324 T CB -0.829 68.070 68.868 0.052 0.000 1.061 324 T HN 0.354 nan 8.240 nan 0.000 0.540 325 N N 1.266 120.011 118.700 0.075 0.000 2.420 325 N HA 0.286 5.018 4.740 -0.014 0.000 0.249 325 N C 0.170 175.755 175.510 0.125 0.000 1.033 325 N CA -0.523 52.619 53.050 0.153 0.000 0.944 325 N CB 0.404 38.998 38.487 0.178 0.000 1.113 325 N HN 0.383 nan 8.380 nan 0.000 0.502 326 F N 0.695 120.732 119.950 0.145 0.000 2.816 326 F HA 0.022 4.541 4.527 -0.014 0.000 0.302 326 F C 1.579 177.421 175.800 0.069 0.000 1.178 326 F CA 0.178 58.223 58.000 0.075 0.000 1.421 326 F CB 0.156 39.079 39.000 -0.128 0.000 1.114 326 F HN 0.565 nan 8.300 nan 0.000 0.573 327 D N 0.277 120.814 120.400 0.229 0.000 2.178 327 D HA -0.131 4.501 4.640 -0.014 0.000 0.201 327 D C 2.108 178.512 176.300 0.173 0.000 0.980 327 D CA 1.212 55.317 54.000 0.174 0.000 0.842 327 D CB 0.125 41.017 40.800 0.154 0.000 0.948 327 D HN 0.329 nan 8.370 nan 0.000 0.472 328 A N -0.156 122.804 122.820 0.233 0.000 2.275 328 A HA 0.078 4.390 4.320 -0.014 0.000 0.212 328 A C 1.567 179.211 177.584 0.099 0.000 1.201 328 A CA -0.377 51.807 52.037 0.245 0.000 0.843 328 A CB -0.595 18.706 19.000 0.503 0.000 0.873 328 A HN 0.128 nan 8.150 nan 0.000 0.492 329 F N 1.995 121.792 119.950 -0.254 0.000 2.065 329 F HA -0.145 4.374 4.527 -0.013 0.000 0.298 329 F C -0.739 174.878 175.800 -0.306 0.000 1.112 329 F CA 2.566 60.173 58.000 -0.656 0.000 1.212 329 F CB -0.522 38.168 39.000 -0.516 0.000 0.975 329 F HN 0.207 nan 8.300 nan 0.000 0.476 330 P HA -0.115 nan 4.420 nan 0.000 0.222 330 P C 0.667 177.906 177.300 -0.102 0.000 1.147 330 P CA 1.564 64.604 63.100 -0.100 0.000 0.790 330 P CB -0.085 31.598 31.700 -0.029 0.000 0.780 331 D N -1.099 119.273 120.400 -0.048 0.000 2.323 331 D HA -0.024 4.608 4.640 -0.014 0.000 0.209 331 D C 1.546 177.845 176.300 -0.002 0.000 0.973 331 D CA 0.849 54.853 54.000 0.006 0.000 0.874 331 D CB 0.088 40.937 40.800 0.081 0.000 0.930 331 D HN 0.122 nan 8.370 nan 0.000 0.521 332 K N -0.149 120.204 120.400 -0.077 0.000 2.425 332 K HA 0.215 4.526 4.320 -0.014 0.000 0.201 332 K C 0.035 176.520 176.600 -0.192 0.000 1.128 332 K CA 0.101 56.355 56.287 -0.055 0.000 1.000 332 K CB 2.158 34.722 32.500 0.106 0.000 0.961 332 K HN -0.056 nan 8.250 nan 0.000 0.555 333 V N 0.751 120.438 119.914 -0.377 0.000 2.789 333 V HA 0.727 4.838 4.120 -0.014 0.000 0.311 333 V C -1.157 174.802 176.094 -0.225 0.000 1.073 333 V CA -1.256 60.814 62.300 -0.382 0.000 0.921 333 V CB 1.944 33.233 31.823 -0.890 0.000 1.009 333 V HN 0.109 nan 8.190 nan 0.000 0.426 334 A N 4.678 127.433 122.820 -0.109 0.000 2.402 334 A HA 0.874 5.186 4.320 -0.014 0.000 0.291 334 A C -1.175 176.408 177.584 -0.001 0.000 1.051 334 A CA -0.396 51.614 52.037 -0.045 0.000 0.716 334 A CB 1.271 20.208 19.000 -0.105 0.000 1.223 334 A HN 1.292 nan 8.150 nan 0.000 0.425 335 I N 0.639 121.265 120.570 0.093 0.000 2.406 335 I HA 0.736 4.898 4.170 -0.014 0.000 0.290 335 I C -0.600 175.608 176.117 0.152 0.000 0.999 335 I CA -0.417 60.959 61.300 0.127 0.000 1.124 335 I CB 1.914 39.973 38.000 0.098 0.000 1.289 335 I HN 0.540 nan 8.210 nan 0.000 0.441 336 Q N 5.791 125.688 119.800 0.162 0.000 2.290 336 Q HA 0.539 4.871 4.340 -0.014 0.000 0.259 336 Q C -1.674 174.352 176.000 0.044 0.000 0.941 336 Q CA -0.428 55.513 55.803 0.230 0.000 0.912 336 Q CB 1.476 30.484 28.738 0.450 0.000 1.244 336 Q HN 0.765 nan 8.270 nan 0.000 0.441 337 L N 4.336 125.618 121.223 0.099 0.000 2.255 337 L HA 0.333 4.664 4.340 -0.014 0.000 0.289 337 L C -0.267 176.647 176.870 0.073 0.000 1.046 337 L CA -0.205 54.673 54.840 0.064 0.000 0.816 337 L CB 0.586 42.720 42.059 0.124 0.000 1.197 337 L HN 0.612 nan 8.230 nan 0.000 0.427 338 N N 4.020 122.668 118.700 -0.087 0.000 2.466 338 N HA 0.106 4.838 4.740 -0.014 0.000 0.263 338 N C -0.029 175.476 175.510 -0.009 0.000 1.178 338 N CA 0.539 53.574 53.050 -0.025 0.000 0.983 338 N CB -0.249 38.119 38.487 -0.198 0.000 1.331 338 N HN 0.564 nan 8.380 nan 0.000 0.500 339 D N -0.510 120.013 120.400 0.204 0.000 3.876 339 D HA -0.224 4.407 4.640 -0.014 0.000 0.275 339 D C 0.512 176.879 176.300 0.111 0.000 2.055 339 D CA 1.621 55.723 54.000 0.169 0.000 1.173 339 D CB -0.648 39.956 40.800 -0.326 0.000 0.929 339 D HN 0.460 nan 8.370 nan 0.000 1.134 340 T N -2.626 111.896 114.554 -0.054 0.000 3.107 340 T HA 0.118 4.460 4.350 -0.014 0.000 0.249 340 T C 1.663 176.388 174.700 0.040 0.000 1.096 340 T CA 1.539 63.593 62.100 -0.075 0.000 1.012 340 T CB -0.510 68.294 68.868 -0.106 0.000 0.977 340 T HN 0.517 nan 8.240 nan 0.000 0.527 341 H N 2.667 121.797 119.070 0.101 0.000 2.353 341 H HA -0.017 4.531 4.556 -0.014 0.000 0.298 341 H C -0.865 174.536 175.328 0.121 0.000 1.103 341 H CA 1.192 57.320 56.048 0.134 0.000 1.293 341 H CB -0.840 29.002 29.762 0.134 0.000 1.372 341 H HN 0.453 nan 8.280 nan 0.000 0.501 342 P HA 0.081 nan 4.420 nan 0.000 0.259 342 P C 0.850 178.182 177.300 0.054 0.000 1.530 342 P CA 0.362 63.531 63.100 0.114 0.000 1.022 342 P CB 0.423 32.179 31.700 0.094 0.000 1.514 343 S N -0.002 115.720 115.700 0.037 0.000 2.419 343 S HA -0.148 4.314 4.470 -0.014 0.000 0.235 343 S C 1.732 176.328 174.600 -0.007 0.000 1.019 343 S CA 0.906 59.089 58.200 -0.028 0.000 0.982 343 S CB -1.554 61.606 63.200 -0.067 0.000 0.789 343 S HN 0.148 nan 8.310 nan 0.000 0.490 344 L N 1.000 122.238 121.223 0.026 0.000 2.549 344 L HA 0.049 4.381 4.340 -0.014 0.000 0.229 344 L C 2.903 179.814 176.870 0.069 0.000 1.158 344 L CA 0.580 55.445 54.840 0.042 0.000 0.842 344 L CB -0.710 41.378 42.059 0.048 0.000 0.952 344 L HN 0.483 nan 8.230 nan 0.000 0.452 345 A N 0.503 123.340 122.820 0.028 0.000 1.933 345 A HA -0.190 4.122 4.320 -0.014 0.000 0.218 345 A C 2.170 179.752 177.584 -0.004 0.000 1.175 345 A CA 1.457 53.495 52.037 0.002 0.000 0.628 345 A CB -0.430 18.560 19.000 -0.018 0.000 0.814 345 A HN 0.357 nan 8.150 nan 0.000 0.444 346 I N 0.337 120.903 120.570 -0.007 0.000 2.113 346 I HA -0.149 4.013 4.170 -0.014 0.000 0.238 346 I C -0.363 175.762 176.117 0.013 0.000 1.070 346 I CA 1.623 62.913 61.300 -0.015 0.000 1.332 346 I CB -0.929 37.062 38.000 -0.015 0.000 1.044 346 I HN 0.241 nan 8.210 nan 0.000 0.402 347 P HA -0.180 nan 4.420 nan 0.000 0.221 347 P C 1.263 178.543 177.300 -0.034 0.000 1.150 347 P CA 1.516 64.632 63.100 0.026 0.000 0.800 347 P CB 0.021 31.759 31.700 0.064 0.000 0.787 348 E N 0.224 120.478 120.200 0.091 0.000 2.107 348 E HA -0.137 4.204 4.350 -0.014 0.000 0.191 348 E C 1.896 178.463 176.600 -0.053 0.000 0.982 348 E CA 0.579 57.048 56.400 0.114 0.000 0.809 348 E CB -1.173 28.688 29.700 0.268 0.000 0.756 348 E HN -0.016 nan 8.360 nan 0.000 0.459 349 L N 0.031 121.201 121.223 -0.087 0.000 2.131 349 L HA -0.045 4.287 4.340 -0.014 0.000 0.210 349 L C 1.941 178.664 176.870 -0.246 0.000 1.092 349 L CA 1.626 56.362 54.840 -0.174 0.000 0.759 349 L CB -0.466 41.499 42.059 -0.158 0.000 0.903 349 L HN 0.253 nan 8.230 nan 0.000 0.435 350 M N -0.932 118.535 119.600 -0.220 0.000 2.123 350 M HA -0.142 4.330 4.480 -0.014 0.000 0.263 350 M C 2.390 178.514 176.300 -0.293 0.000 1.069 350 M CA 1.365 56.483 55.300 -0.304 0.000 1.133 350 M CB -1.049 31.355 32.600 -0.326 0.000 1.356 350 M HN 0.305 nan 8.290 nan 0.000 0.415 351 R N 0.081 120.427 120.500 -0.258 0.000 2.094 351 R HA -0.150 4.181 4.340 -0.014 0.000 0.239 351 R C 2.072 178.258 176.300 -0.190 0.000 1.137 351 R CA 1.864 57.818 56.100 -0.244 0.000 0.943 351 R CB -0.304 29.793 30.300 -0.338 0.000 0.850 351 R HN 0.179 nan 8.270 nan 0.000 0.433 352 V N 1.516 121.319 119.914 -0.186 0.000 2.233 352 V HA -0.285 3.827 4.120 -0.014 0.000 0.247 352 V C 2.490 178.422 176.094 -0.270 0.000 1.050 352 V CA 1.971 64.159 62.300 -0.187 0.000 1.010 352 V CB -0.485 31.222 31.823 -0.192 0.000 0.637 352 V HN 0.364 nan 8.190 nan 0.000 0.444 353 L N -0.607 120.389 121.223 -0.378 0.000 2.012 353 L HA -0.189 4.143 4.340 -0.014 0.000 0.210 353 L C 2.416 179.097 176.870 -0.314 0.000 1.073 353 L CA 1.431 55.984 54.840 -0.478 0.000 0.748 353 L CB -0.646 41.092 42.059 -0.535 0.000 0.891 353 L HN 0.221 nan 8.230 nan 0.000 0.431 354 V N -0.609 119.159 119.914 -0.243 0.000 2.300 354 V HA -0.198 3.913 4.120 -0.014 0.000 0.241 354 V C 2.069 178.114 176.094 -0.082 0.000 1.034 354 V CA 1.704 63.921 62.300 -0.138 0.000 1.021 354 V CB -0.351 31.412 31.823 -0.101 0.000 0.662 354 V HN 0.360 nan 8.190 nan 0.000 0.458 355 D N 0.148 120.496 120.400 -0.087 0.000 2.097 355 D HA -0.075 4.557 4.640 -0.014 0.000 0.197 355 D C 2.086 178.357 176.300 -0.049 0.000 0.984 355 D CA 1.394 55.361 54.000 -0.054 0.000 0.826 355 D CB -0.109 40.655 40.800 -0.060 0.000 0.973 355 D HN 0.316 nan 8.370 nan 0.000 0.460 356 L N 0.357 121.536 121.223 -0.072 0.000 2.200 356 L HA 0.065 4.397 4.340 -0.014 0.000 0.200 356 L C 1.998 178.835 176.870 -0.054 0.000 1.072 356 L CA 0.638 55.446 54.840 -0.053 0.000 0.787 356 L CB -0.247 41.782 42.059 -0.051 0.000 0.957 356 L HN -0.140 nan 8.230 nan 0.000 0.459 357 E N 0.707 120.840 120.200 -0.112 0.000 2.435 357 E HA -0.005 4.337 4.350 -0.014 0.000 0.195 357 E C 0.117 176.681 176.600 -0.060 0.000 1.029 357 E CA -0.004 56.340 56.400 -0.094 0.000 0.865 357 E CB 0.184 29.727 29.700 -0.261 0.000 0.833 357 E HN 0.281 nan 8.360 nan 0.000 0.510 358 R N -0.031 120.428 120.500 -0.068 0.000 3.418 358 R HA -0.186 4.145 4.340 -0.014 0.000 0.274 358 R C -0.496 175.789 176.300 -0.025 0.000 1.108 358 R CA 0.235 56.317 56.100 -0.030 0.000 0.741 358 R CB -2.504 27.798 30.300 0.003 0.000 1.223 358 R HN 0.050 nan 8.270 nan 0.000 0.434 359 L N 1.915 123.095 121.223 -0.071 0.000 2.399 359 L HA 0.178 4.509 4.340 -0.014 0.000 0.266 359 L C 1.281 178.144 176.870 -0.012 0.000 1.114 359 L CA 0.083 54.893 54.840 -0.050 0.000 0.804 359 L CB 0.535 42.518 42.059 -0.126 0.000 1.146 359 L HN 0.131 nan 8.230 nan 0.000 0.451 360 D N 0.884 121.302 120.400 0.030 0.000 2.382 360 D HA -0.144 4.488 4.640 -0.014 0.000 0.240 360 D C 0.968 177.334 176.300 0.110 0.000 1.146 360 D CA -0.473 53.579 54.000 0.086 0.000 0.897 360 D CB 0.701 41.557 40.800 0.094 0.000 1.197 360 D HN 0.609 nan 8.370 nan 0.000 0.432 361 W N 2.154 123.454 121.300 -0.000 0.000 2.301 361 W HA -0.249 4.403 4.660 -0.014 0.000 0.325 361 W C 1.241 177.797 176.519 0.062 0.000 1.250 361 W CA 2.007 59.356 57.345 0.006 0.000 1.261 361 W CB -0.327 29.116 29.460 -0.028 0.000 1.157 361 W HN 0.499 nan 8.180 nan 0.000 0.473 362 D N 0.109 120.707 120.400 0.330 0.000 2.149 362 D HA -0.207 4.425 4.640 -0.014 0.000 0.198 362 D C 2.042 178.437 176.300 0.157 0.000 0.990 362 D CA 1.361 55.522 54.000 0.267 0.000 0.839 362 D CB -0.374 40.566 40.800 0.233 0.000 0.948 362 D HN 0.114 nan 8.370 nan 0.000 0.460 363 K N 1.002 121.456 120.400 0.090 0.000 2.062 363 K HA -0.001 4.311 4.320 -0.014 0.000 0.205 363 K C 1.997 178.587 176.600 -0.017 0.000 1.051 363 K CA 0.816 57.131 56.287 0.047 0.000 0.941 363 K CB -0.224 32.300 32.500 0.041 0.000 0.719 363 K HN 0.016 nan 8.250 nan 0.000 0.440 364 A N 0.816 123.583 122.820 -0.088 0.000 1.902 364 A HA -0.191 4.121 4.320 -0.014 0.000 0.217 364 A C 2.143 179.632 177.584 -0.158 0.000 1.181 364 A CA 1.291 53.206 52.037 -0.204 0.000 0.623 364 A CB -1.048 17.759 19.000 -0.322 0.000 0.818 364 A HN 0.640 nan 8.150 nan 0.000 0.443 365 W N 0.643 121.725 121.300 -0.364 0.000 2.358 365 W HA -0.171 4.481 4.660 -0.013 0.000 0.303 365 W C 2.031 178.482 176.519 -0.113 0.000 1.208 365 W CA 1.805 58.986 57.345 -0.272 0.000 1.274 365 W CB -0.109 29.237 29.460 -0.189 0.000 1.138 365 W HN 0.600 nan 8.180 nan 0.000 0.515 366 E N 0.114 120.322 120.200 0.013 0.000 2.058 366 E HA -0.235 4.107 4.350 -0.014 0.000 0.194 366 E C 2.017 178.544 176.600 -0.122 0.000 0.997 366 E CA 1.999 58.364 56.400 -0.059 0.000 0.801 366 E CB -0.309 29.409 29.700 0.031 0.000 0.746 366 E HN 0.080 nan 8.360 nan 0.000 0.450 367 V N 0.689 120.545 119.914 -0.097 0.000 2.295 367 V HA -0.262 3.850 4.120 -0.014 0.000 0.246 367 V C 2.437 178.464 176.094 -0.112 0.000 1.049 367 V CA 2.199 64.455 62.300 -0.073 0.000 1.024 367 V CB -0.857 30.916 31.823 -0.085 0.000 0.648 367 V HN 0.372 nan 8.190 nan 0.000 0.447 368 T N 0.207 114.631 114.554 -0.218 0.000 2.635 368 T HA -0.209 4.132 4.350 -0.014 0.000 0.267 368 T C 1.942 176.465 174.700 -0.296 0.000 1.040 368 T CA 1.932 63.878 62.100 -0.256 0.000 1.156 368 T CB -0.370 68.292 68.868 -0.344 0.000 0.863 368 T HN 0.270 nan 8.240 nan 0.000 0.430 369 V N 1.200 120.812 119.914 -0.504 0.000 2.392 369 V HA -0.177 3.935 4.120 -0.014 0.000 0.249 369 V C 2.380 178.403 176.094 -0.118 0.000 1.059 369 V CA 1.643 63.696 62.300 -0.411 0.000 1.051 369 V CB -0.496 30.997 31.823 -0.551 0.000 0.658 369 V HN 0.432 nan 8.190 nan 0.000 0.455 370 K N -0.337 119.982 120.400 -0.135 0.000 2.365 370 K HA -0.102 4.210 4.320 -0.014 0.000 0.199 370 K C 2.129 178.668 176.600 -0.102 0.000 1.045 370 K CA 1.498 57.696 56.287 -0.149 0.000 0.962 370 K CB -0.093 32.330 32.500 -0.128 0.000 0.759 370 K HN 0.664 nan 8.250 nan 0.000 0.469 371 T N -2.280 112.283 114.554 0.016 0.000 2.990 371 T HA 0.110 4.451 4.350 -0.014 0.000 0.250 371 T C 0.584 175.379 174.700 0.157 0.000 1.041 371 T CA -0.358 61.785 62.100 0.072 0.000 1.010 371 T CB 0.008 68.925 68.868 0.081 0.000 1.003 371 T HN -0.007 nan 8.240 nan 0.000 0.499 372 C N 2.647 122.032 119.300 0.141 0.000 2.365 372 C HA 0.918 5.370 4.460 -0.014 0.000 0.351 372 C C 0.566 175.625 174.990 0.116 0.000 1.240 372 C CA -0.775 58.310 59.018 0.111 0.000 2.062 372 C CB 0.173 27.912 27.740 -0.001 0.000 2.387 372 C HN 0.748 nan 8.230 nan 0.000 0.537 373 A N 2.487 125.367 122.820 0.101 0.000 2.449 373 A HA 0.733 5.044 4.320 -0.014 0.000 0.302 373 A C -1.482 176.182 177.584 0.133 0.000 1.048 373 A CA -0.406 51.642 52.037 0.018 0.000 0.708 373 A CB 0.956 19.994 19.000 0.064 0.000 1.274 373 A HN 0.935 nan 8.150 nan 0.000 0.410 374 Y N 1.324 121.573 120.300 -0.085 0.000 2.393 374 Y HA 0.650 5.192 4.550 -0.013 0.000 0.341 374 Y C -0.484 175.401 175.900 -0.026 0.000 0.988 374 Y CA -0.372 57.693 58.100 -0.059 0.000 1.078 374 Y CB 2.012 40.389 38.460 -0.138 0.000 1.203 374 Y HN 0.563 nan 8.280 nan 0.000 0.453 375 T N 6.472 120.890 114.554 -0.227 0.000 2.770 375 T HA 0.182 4.524 4.350 -0.014 0.000 0.283 375 T C -0.829 173.481 174.700 -0.649 0.000 0.988 375 T CA -0.819 61.061 62.100 -0.366 0.000 0.957 375 T CB 0.488 69.380 68.868 0.039 0.000 0.930 375 T HN 0.636 nan 8.240 nan 0.000 0.443 376 N N 1.711 119.988 118.700 -0.704 0.000 2.479 376 N HA 0.145 4.877 4.740 -0.014 0.000 0.285 376 N C 0.040 175.440 175.510 -0.184 0.000 1.075 376 N CA -0.300 52.561 53.050 -0.314 0.000 0.967 376 N CB 0.768 39.223 38.487 -0.053 0.000 1.137 376 N HN 0.689 nan 8.380 nan 0.000 0.472 377 H N 0.862 119.955 119.070 0.037 0.000 3.058 377 H HA 0.166 4.713 4.556 -0.014 0.000 0.266 377 H C -0.212 175.023 175.328 -0.155 0.000 1.135 377 H CA -0.046 55.964 56.048 -0.062 0.000 1.174 377 H CB 1.223 30.964 29.762 -0.035 0.000 1.581 377 H HN 0.514 nan 8.280 nan 0.000 0.553 378 T N 0.195 114.772 114.554 0.039 0.000 2.827 378 T HA 0.241 4.583 4.350 -0.014 0.000 0.328 378 T C 0.274 175.003 174.700 0.047 0.000 1.598 378 T CA -0.299 61.781 62.100 -0.033 0.000 1.043 378 T CB 1.325 70.171 68.868 -0.037 0.000 1.447 378 T HN -0.041 nan 8.240 nan 0.000 0.491 379 V N 1.224 121.125 119.914 -0.021 0.000 3.502 379 V HA 0.506 4.617 4.120 -0.014 0.000 0.288 379 V C 0.895 176.954 176.094 -0.059 0.000 1.461 379 V CA -0.052 62.227 62.300 -0.036 0.000 1.029 379 V CB -0.571 31.232 31.823 -0.034 0.000 0.843 379 V HN 0.807 nan 8.190 nan 0.000 0.438 380 I N 0.114 120.637 120.570 -0.078 0.000 2.556 380 I HA 0.300 4.461 4.170 -0.014 0.000 0.284 380 I C -0.705 175.405 176.117 -0.012 0.000 1.114 380 I CA -1.612 59.662 61.300 -0.043 0.000 1.418 380 I CB 0.538 38.499 38.000 -0.064 0.000 1.394 380 I HN -0.033 nan 8.210 nan 0.000 0.552 381 P HA -0.244 nan 4.420 nan 0.000 0.215 381 P C 1.113 178.411 177.300 -0.004 0.000 1.153 381 P CA 1.592 64.691 63.100 -0.003 0.000 0.853 381 P CB -0.098 31.606 31.700 0.006 0.000 0.788 382 E N 0.299 120.521 120.200 0.035 0.000 2.472 382 E HA -0.060 4.282 4.350 -0.014 0.000 0.200 382 E C 1.570 178.131 176.600 -0.065 0.000 1.046 382 E CA 1.125 57.531 56.400 0.009 0.000 0.871 382 E CB -0.667 29.142 29.700 0.182 0.000 0.806 382 E HN 0.229 nan 8.360 nan 0.000 0.533 383 A N 0.973 123.795 122.820 0.002 0.000 2.169 383 A HA 0.207 4.518 4.320 -0.014 0.000 0.210 383 A C 1.171 178.733 177.584 -0.037 0.000 1.168 383 A CA -0.336 51.714 52.037 0.022 0.000 0.813 383 A CB 0.160 19.196 19.000 0.060 0.000 0.861 383 A HN 0.146 nan 8.150 nan 0.000 0.481 384 L N 1.905 123.073 121.223 -0.092 0.000 2.455 384 L HA 0.111 4.443 4.340 -0.014 0.000 0.272 384 L C -0.058 176.503 176.870 -0.515 0.000 1.174 384 L CA 0.543 55.272 54.840 -0.185 0.000 0.869 384 L CB 0.262 42.249 42.059 -0.120 0.000 1.130 384 L HN 0.412 nan 8.230 nan 0.000 0.474 385 E N 4.983 124.767 120.200 -0.693 0.000 2.129 385 E HA 0.195 4.536 4.350 -0.014 0.000 0.283 385 E C -0.495 175.512 176.600 -0.988 0.000 1.080 385 E CA -0.196 55.347 56.400 -1.429 0.000 0.867 385 E CB 0.653 29.819 29.700 -0.890 0.000 1.056 385 E HN 0.367 nan 8.360 nan 0.000 0.404 386 R N 3.774 123.628 120.500 -1.076 0.000 2.472 386 R HA 0.213 4.545 4.340 -0.014 0.000 0.294 386 R C -1.234 174.945 176.300 -0.201 0.000 1.243 386 R CA -0.568 55.294 56.100 -0.396 0.000 1.023 386 R CB 0.911 31.097 30.300 -0.190 0.000 1.157 386 R HN 0.427 nan 8.270 nan 0.000 0.530 387 W N 4.588 125.859 121.300 -0.049 0.000 2.322 387 W HA 0.288 4.939 4.660 -0.014 0.000 0.307 387 W C -1.917 174.580 176.519 -0.036 0.000 1.220 387 W CA -2.208 55.159 57.345 0.036 0.000 1.210 387 W CB 0.843 30.296 29.460 -0.011 0.000 1.223 387 W HN 0.262 nan 8.180 nan 0.000 0.511 388 P HA -0.090 nan 4.420 nan 0.000 0.265 388 P C 0.772 178.009 177.300 -0.105 0.000 1.193 388 P CA 0.197 63.284 63.100 -0.022 0.000 0.765 388 P CB 0.782 32.331 31.700 -0.253 0.000 0.823 389 V N 3.272 123.177 119.914 -0.016 0.000 2.343 389 V HA -0.284 3.828 4.120 -0.014 0.000 0.247 389 V C 2.137 178.226 176.094 -0.008 0.000 1.051 389 V CA 2.517 64.821 62.300 0.006 0.000 1.036 389 V CB -1.790 30.099 31.823 0.110 0.000 0.654 389 V HN 0.763 nan 8.190 nan 0.000 0.451 390 H N -0.948 118.173 119.070 0.085 0.000 2.489 390 H HA -0.125 4.422 4.556 -0.014 0.000 0.295 390 H C 2.007 177.375 175.328 0.066 0.000 1.082 390 H CA 1.738 57.831 56.048 0.075 0.000 1.295 390 H CB -0.523 29.285 29.762 0.078 0.000 1.380 390 H HN 0.379 nan 8.280 nan 0.000 0.548 391 L N -0.182 120.873 121.223 -0.281 0.000 2.068 391 L HA -0.030 4.301 4.340 -0.014 0.000 0.204 391 L C 2.340 179.142 176.870 -0.113 0.000 1.076 391 L CA 0.760 55.525 54.840 -0.126 0.000 0.753 391 L CB -0.160 41.807 42.059 -0.154 0.000 0.910 391 L HN 0.322 nan 8.230 nan 0.000 0.439 392 L N -0.530 120.600 121.223 -0.154 0.000 2.141 392 L HA -0.228 4.103 4.340 -0.014 0.000 0.209 392 L C 2.488 179.279 176.870 -0.132 0.000 1.094 392 L CA 1.074 55.797 54.840 -0.194 0.000 0.763 392 L CB -0.347 41.590 42.059 -0.205 0.000 0.908 392 L HN 0.344 nan 8.230 nan 0.000 0.437 393 E N -0.491 119.676 120.200 -0.055 0.000 2.077 393 E HA -0.213 4.129 4.350 -0.014 0.000 0.193 393 E C 1.911 178.535 176.600 0.041 0.000 0.989 393 E CA 1.844 58.248 56.400 0.005 0.000 0.800 393 E CB 0.159 29.904 29.700 0.074 0.000 0.746 393 E HN 0.397 nan 8.360 nan 0.000 0.452 394 T N 0.771 115.371 114.554 0.076 0.000 2.852 394 T HA -0.074 4.268 4.350 -0.014 0.000 0.256 394 T C 1.713 176.510 174.700 0.161 0.000 1.038 394 T CA 0.685 62.879 62.100 0.157 0.000 1.141 394 T CB -0.112 68.881 68.868 0.209 0.000 0.869 394 T HN 0.061 nan 8.240 nan 0.000 0.439 395 L N 0.160 121.379 121.223 -0.008 0.000 2.095 395 L HA 0.328 4.660 4.340 -0.014 0.000 0.204 395 L C 0.360 177.137 176.870 -0.154 0.000 1.080 395 L CA 1.604 56.311 54.840 -0.221 0.000 0.759 395 L CB 0.013 41.909 42.059 -0.271 0.000 0.914 395 L HN 0.176 nan 8.230 nan 0.000 0.439 396 L N 0.516 121.610 121.223 -0.215 0.000 2.551 396 L HA 0.292 4.624 4.340 -0.014 0.000 0.248 396 L C -1.667 174.999 176.870 -0.339 0.000 1.509 396 L CA -1.096 53.520 54.840 -0.374 0.000 0.842 396 L CB 0.794 42.458 42.059 -0.657 0.000 1.087 396 L HN -0.068 nan 8.230 nan 0.000 0.512 397 P HA -0.242 nan 4.420 nan 0.000 0.216 397 P C 1.520 178.632 177.300 -0.315 0.000 1.157 397 P CA 1.413 64.387 63.100 -0.210 0.000 0.880 397 P CB 0.331 31.979 31.700 -0.087 0.000 0.791 398 R N -0.691 119.456 120.500 -0.588 0.000 2.092 398 R HA -0.153 4.179 4.340 -0.014 0.000 0.231 398 R C 2.369 178.397 176.300 -0.454 0.000 1.119 398 R CA 1.495 57.273 56.100 -0.536 0.000 0.970 398 R CB -1.236 28.610 30.300 -0.757 0.000 0.864 398 R HN 0.224 nan 8.270 nan 0.000 0.440 399 H N -0.273 118.480 119.070 -0.528 0.000 2.421 399 H HA -0.062 4.485 4.556 -0.014 0.000 0.298 399 H C 1.742 176.892 175.328 -0.296 0.000 1.087 399 H CA 1.611 57.429 56.048 -0.382 0.000 1.330 399 H CB -0.017 29.477 29.762 -0.448 0.000 1.388 399 H HN 0.120 nan 8.280 nan 0.000 0.526 400 L N 0.382 121.480 121.223 -0.208 0.000 2.056 400 L HA -0.211 4.121 4.340 -0.014 0.000 0.207 400 L C 1.741 178.427 176.870 -0.306 0.000 1.078 400 L CA 1.542 56.195 54.840 -0.312 0.000 0.749 400 L CB -0.269 41.620 42.059 -0.283 0.000 0.901 400 L HN 0.420 nan 8.230 nan 0.000 0.433 401 Q N -0.352 119.373 119.800 -0.125 0.000 2.124 401 Q HA -0.214 4.118 4.340 -0.014 0.000 0.202 401 Q C 2.166 178.188 176.000 0.036 0.000 0.977 401 Q CA 1.483 57.302 55.803 0.028 0.000 0.850 401 Q CB 0.010 28.765 28.738 0.028 0.000 0.901 401 Q HN 0.550 nan 8.270 nan 0.000 0.429 402 I N 0.181 120.745 120.570 -0.009 0.000 2.353 402 I HA -0.250 3.912 4.170 -0.014 0.000 0.248 402 I C 2.039 178.225 176.117 0.115 0.000 1.119 402 I CA 0.917 62.287 61.300 0.117 0.000 1.417 402 I CB -0.029 37.979 38.000 0.012 0.000 1.078 402 I HN 0.194 nan 8.210 nan 0.000 0.421 403 I N -0.531 120.029 120.570 -0.016 0.000 2.252 403 I HA -0.312 3.850 4.170 -0.014 0.000 0.245 403 I C 2.324 178.464 176.117 0.039 0.000 1.102 403 I CA 1.350 62.633 61.300 -0.028 0.000 1.385 403 I CB -0.332 37.577 38.000 -0.151 0.000 1.064 403 I HN 0.162 nan 8.210 nan 0.000 0.414 404 Y N 0.853 121.157 120.300 0.007 0.000 2.224 404 Y HA -0.262 4.280 4.550 -0.014 0.000 0.289 404 Y C 2.587 178.453 175.900 -0.056 0.000 1.146 404 Y CA 1.541 59.633 58.100 -0.014 0.000 1.182 404 Y CB -0.712 37.731 38.460 -0.028 0.000 0.983 404 Y HN 0.223 nan 8.280 nan 0.000 0.524 405 E N 0.307 120.550 120.200 0.071 0.000 2.152 405 E HA -0.120 4.222 4.350 -0.014 0.000 0.192 405 E C 1.975 178.489 176.600 -0.144 0.000 0.983 405 E CA 1.122 57.423 56.400 -0.165 0.000 0.818 405 E CB -0.524 28.921 29.700 -0.424 0.000 0.758 405 E HN 0.484 nan 8.360 nan 0.000 0.467 406 I N 0.512 121.099 120.570 0.028 0.000 2.202 406 I HA -0.224 3.937 4.170 -0.014 0.000 0.242 406 I C 2.250 178.373 176.117 0.010 0.000 1.091 406 I CA 1.180 62.451 61.300 -0.048 0.000 1.368 406 I CB -0.351 37.633 38.000 -0.027 0.000 1.058 406 I HN 0.203 nan 8.210 nan 0.000 0.410 407 N N 0.816 119.576 118.700 0.100 0.000 2.069 407 N HA -0.267 4.465 4.740 -0.014 0.000 0.191 407 N C 1.866 177.466 175.510 0.151 0.000 1.031 407 N CA 1.654 54.819 53.050 0.191 0.000 0.852 407 N CB -0.125 38.492 38.487 0.217 0.000 1.018 407 N HN 0.256 nan 8.380 nan 0.000 0.423 408 Q N -0.212 119.619 119.800 0.052 0.000 2.045 408 Q HA -0.145 4.187 4.340 -0.014 0.000 0.206 408 Q C 2.029 178.013 176.000 -0.026 0.000 0.991 408 Q CA 1.771 57.564 55.803 -0.016 0.000 0.851 408 Q CB -0.009 28.673 28.738 -0.093 0.000 0.911 408 Q HN 0.428 nan 8.270 nan 0.000 0.418 409 R N -0.869 119.595 120.500 -0.060 0.000 2.115 409 R HA -0.109 4.222 4.340 -0.014 0.000 0.226 409 R C 2.125 178.464 176.300 0.065 0.000 1.100 409 R CA 0.998 57.066 56.100 -0.053 0.000 0.980 409 R CB -0.332 29.884 30.300 -0.140 0.000 0.875 409 R HN 0.258 nan 8.270 nan 0.000 0.445 410 F N 1.855 121.790 119.950 -0.025 0.000 2.084 410 F HA -0.068 4.450 4.527 -0.014 0.000 0.296 410 F C 1.933 177.765 175.800 0.054 0.000 1.111 410 F CA 1.205 59.240 58.000 0.058 0.000 1.224 410 F CB -0.396 38.673 39.000 0.115 0.000 0.991 410 F HN -0.155 nan 8.300 nan 0.000 0.471 411 L N 0.267 121.469 121.223 -0.036 0.000 2.127 411 L HA -0.292 4.039 4.340 -0.014 0.000 0.211 411 L C 2.022 178.804 176.870 -0.145 0.000 1.089 411 L CA 1.876 56.624 54.840 -0.154 0.000 0.757 411 L CB -0.942 41.108 42.059 -0.015 0.000 0.899 411 L HN 0.293 nan 8.230 nan 0.000 0.434 412 N N -0.512 118.136 118.700 -0.086 0.000 2.244 412 N HA -0.172 4.560 4.740 -0.014 0.000 0.183 412 N C 1.940 177.398 175.510 -0.086 0.000 1.016 412 N CA 0.610 53.616 53.050 -0.073 0.000 0.866 412 N CB 0.016 38.470 38.487 -0.054 0.000 0.980 412 N HN 0.240 nan 8.380 nan 0.000 0.430 413 R N 0.519 120.954 120.500 -0.109 0.000 2.075 413 R HA -0.038 4.293 4.340 -0.014 0.000 0.232 413 R C 2.093 178.302 176.300 -0.152 0.000 1.126 413 R CA 0.795 56.835 56.100 -0.100 0.000 0.963 413 R CB -0.159 30.109 30.300 -0.055 0.000 0.858 413 R HN 0.035 nan 8.270 nan 0.000 0.435 414 V N 0.733 120.500 119.914 -0.244 0.000 2.261 414 V HA -0.269 3.843 4.120 -0.014 0.000 0.246 414 V C 2.380 178.463 176.094 -0.019 0.000 1.047 414 V CA 2.029 64.248 62.300 -0.136 0.000 1.015 414 V CB -0.848 30.820 31.823 -0.258 0.000 0.642 414 V HN 0.469 nan 8.190 nan 0.000 0.446 415 A N 0.137 122.923 122.820 -0.056 0.000 1.917 415 A HA -0.219 4.093 4.320 -0.014 0.000 0.219 415 A C 2.399 179.958 177.584 -0.043 0.000 1.182 415 A CA 2.491 54.512 52.037 -0.026 0.000 0.633 415 A CB -0.895 18.081 19.000 -0.041 0.000 0.819 415 A HN 0.633 nan 8.150 nan 0.000 0.448 416 A N -0.726 122.049 122.820 -0.075 0.000 1.969 416 A HA 0.237 4.549 4.320 -0.014 0.000 0.218 416 A C 2.392 179.882 177.584 -0.155 0.000 1.169 416 A CA 1.933 53.915 52.037 -0.091 0.000 0.635 416 A CB -0.704 18.249 19.000 -0.079 0.000 0.810 416 A HN 1.023 nan 8.150 nan 0.000 0.445 417 A N -1.373 121.302 122.820 -0.242 0.000 1.935 417 A HA 0.371 4.682 4.320 -0.014 0.000 0.214 417 A C 0.493 177.633 177.584 -0.740 0.000 1.178 417 A CA 0.514 52.230 52.037 -0.535 0.000 0.640 417 A CB -0.141 18.425 19.000 -0.723 0.000 0.825 417 A HN 0.426 nan 8.150 nan 0.000 0.447 418 F N 0.363 120.266 119.950 -0.079 0.000 2.449 418 F HA 0.360 4.879 4.527 -0.014 0.000 0.329 418 F C -2.740 173.023 175.800 -0.063 0.000 1.245 418 F CA -2.966 54.992 58.000 -0.070 0.000 1.193 418 F CB 0.663 39.612 39.000 -0.084 0.000 1.425 418 F HN -0.055 nan 8.300 nan 0.000 0.544 419 P HA 0.164 nan 4.420 nan 0.000 0.263 419 P C 1.030 178.350 177.300 0.033 0.000 1.195 419 P CA 1.040 64.152 63.100 0.020 0.000 0.762 419 P CB 0.822 32.516 31.700 -0.010 0.000 0.799 420 G N 2.847 111.659 108.800 0.020 0.000 2.225 420 G HA2 -0.245 3.707 3.960 -0.014 0.000 0.254 420 G HA3 -0.245 3.707 3.960 -0.014 0.000 0.254 420 G C 0.398 175.306 174.900 0.013 0.000 0.988 420 G CA -0.038 45.070 45.100 0.013 0.000 0.625 420 G HN 0.575 nan 8.290 nan 0.000 0.527 421 D N 1.150 121.568 120.400 0.029 0.000 2.600 421 D HA 0.369 5.000 4.640 -0.014 0.000 0.226 421 D C 1.631 177.918 176.300 -0.022 0.000 1.119 421 D CA 0.459 54.459 54.000 -0.000 0.000 1.051 421 D CB 0.533 41.328 40.800 -0.009 0.000 1.106 421 D HN 0.148 nan 8.370 nan 0.000 0.491 422 V N 2.555 122.458 119.914 -0.018 0.000 2.594 422 V HA -0.210 3.902 4.120 -0.014 0.000 0.253 422 V C 1.684 177.762 176.094 -0.026 0.000 1.069 422 V CA 1.849 64.137 62.300 -0.019 0.000 1.082 422 V CB 0.033 31.849 31.823 -0.012 0.000 0.680 422 V HN 0.356 nan 8.190 nan 0.000 0.469 423 D N -0.468 119.912 120.400 -0.034 0.000 2.194 423 D HA -0.161 4.470 4.640 -0.014 0.000 0.204 423 D C 2.310 178.578 176.300 -0.053 0.000 0.964 423 D CA 1.098 55.078 54.000 -0.033 0.000 0.846 423 D CB -0.174 40.606 40.800 -0.032 0.000 0.962 423 D HN 0.399 nan 8.370 nan 0.000 0.490 424 R N -0.329 120.114 120.500 -0.095 0.000 2.081 424 R HA -0.135 4.196 4.340 -0.014 0.000 0.235 424 R C 1.887 178.112 176.300 -0.124 0.000 1.131 424 R CA 0.912 56.917 56.100 -0.158 0.000 0.960 424 R CB -0.308 29.836 30.300 -0.261 0.000 0.856 424 R HN 0.152 nan 8.270 nan 0.000 0.436 425 L N 1.416 122.590 121.223 -0.081 0.000 1.990 425 L HA -0.210 4.122 4.340 -0.014 0.000 0.213 425 L C 2.590 179.457 176.870 -0.004 0.000 1.072 425 L CA 2.257 57.066 54.840 -0.052 0.000 0.755 425 L CB -0.842 41.197 42.059 -0.032 0.000 0.889 425 L HN 0.319 nan 8.230 nan 0.000 0.432 426 R N -1.126 119.380 120.500 0.011 0.000 2.115 426 R HA -0.088 4.244 4.340 -0.014 0.000 0.230 426 R C 2.203 178.555 176.300 0.087 0.000 1.111 426 R CA 1.123 57.253 56.100 0.050 0.000 0.976 426 R CB -0.633 29.690 30.300 0.039 0.000 0.870 426 R HN 0.187 nan 8.270 nan 0.000 0.445 427 R N 0.178 120.711 120.500 0.055 0.000 2.092 427 R HA 0.083 4.414 4.340 -0.014 0.000 0.231 427 R C 2.107 178.503 176.300 0.160 0.000 1.119 427 R CA 1.857 58.014 56.100 0.096 0.000 0.970 427 R CB -0.178 30.134 30.300 0.021 0.000 0.864 427 R HN 0.328 nan 8.270 nan 0.000 0.440 428 M N 0.073 119.688 119.600 0.025 0.000 2.514 428 M HA 0.017 4.489 4.480 -0.014 0.000 0.258 428 M C 0.880 177.361 176.300 0.300 0.000 1.119 428 M CA 0.066 55.339 55.300 -0.044 0.000 1.111 428 M CB 0.356 32.760 32.600 -0.327 0.000 1.390 428 M HN -0.077 nan 8.290 nan 0.000 0.475 429 S N 1.046 116.924 115.700 0.296 0.000 2.561 429 S HA 0.002 4.464 4.470 -0.014 0.000 0.294 429 S C 1.124 176.015 174.600 0.485 0.000 1.294 429 S CA -0.146 58.260 58.200 0.344 0.000 1.055 429 S CB 0.495 63.830 63.200 0.225 0.000 0.819 429 S HN 0.355 nan 8.310 nan 0.000 0.503 430 L N 4.138 125.599 121.223 0.396 0.000 2.395 430 L HA 0.111 4.443 4.340 -0.014 0.000 0.218 430 L C 0.227 177.219 176.870 0.202 0.000 1.130 430 L CA 0.293 55.321 54.840 0.312 0.000 0.826 430 L CB -0.378 41.804 42.059 0.205 0.000 0.941 430 L HN 0.393 nan 8.230 nan 0.000 0.451 431 V N 0.559 120.605 119.914 0.220 0.000 2.370 431 V HA 0.207 4.319 4.120 -0.014 0.000 0.279 431 V C -0.021 176.166 176.094 0.155 0.000 1.029 431 V CA -0.616 61.795 62.300 0.186 0.000 0.870 431 V CB 1.702 33.673 31.823 0.246 0.000 0.984 431 V HN 0.154 nan 8.190 nan 0.000 0.451 432 E N 3.082 123.352 120.200 0.116 0.000 2.134 432 E HA 0.423 4.765 4.350 -0.014 0.000 0.278 432 E C -0.728 175.926 176.600 0.089 0.000 0.959 432 E CA -0.555 55.902 56.400 0.095 0.000 0.783 432 E CB 1.982 31.718 29.700 0.060 0.000 1.095 432 E HN 0.619 nan 8.360 nan 0.000 0.399 433 E N 1.000 121.249 120.200 0.081 0.000 2.312 433 E HA 0.641 4.983 4.350 -0.014 0.000 0.259 433 E C 0.226 176.863 176.600 0.061 0.000 1.122 433 E CA 0.419 56.861 56.400 0.070 0.000 0.922 433 E CB 1.400 31.135 29.700 0.058 0.000 1.109 433 E HN 0.647 nan 8.360 nan 0.000 0.442 434 G N -0.273 108.561 108.800 0.056 0.000 2.260 434 G HA2 0.214 4.166 3.960 -0.014 0.000 0.250 434 G HA3 0.214 4.166 3.960 -0.014 0.000 0.250 434 G C 0.550 175.482 174.900 0.052 0.000 1.340 434 G CA 0.311 45.440 45.100 0.049 0.000 1.056 434 G HN 0.660 nan 8.290 nan 0.000 0.471 435 A N -0.840 122.009 122.820 0.048 0.000 1.883 435 A HA 0.231 4.543 4.320 -0.014 0.000 0.222 435 A C 1.848 179.471 177.584 0.065 0.000 1.339 435 A CA 4.725 56.792 52.037 0.049 0.000 0.692 435 A CB -1.283 17.746 19.000 0.047 0.000 0.845 435 A HN 2.455 nan 8.150 nan 0.000 0.467 436 V N -3.060 116.905 119.914 0.085 0.000 2.735 436 V HA 0.586 4.697 4.120 -0.014 0.000 0.310 436 V C -0.554 175.611 176.094 0.118 0.000 1.061 436 V CA -1.378 60.995 62.300 0.121 0.000 0.913 436 V CB 1.739 33.667 31.823 0.176 0.000 1.005 436 V HN 0.425 nan 8.190 nan 0.000 0.428 437 K N 3.849 124.328 120.400 0.132 0.000 2.295 437 K HA 0.523 4.835 4.320 -0.014 0.000 0.270 437 K C -0.433 176.238 176.600 0.118 0.000 1.011 437 K CA -0.298 56.063 56.287 0.124 0.000 0.953 437 K CB 0.910 33.497 32.500 0.144 0.000 0.956 437 K HN 0.737 nan 8.250 nan 0.000 0.477 438 R N 0.875 121.435 120.500 0.099 0.000 2.855 438 R HA 0.501 4.832 4.340 -0.014 0.000 0.266 438 R C -0.762 175.581 176.300 0.072 0.000 1.034 438 R CA -1.007 55.142 56.100 0.082 0.000 0.944 438 R CB 1.308 31.642 30.300 0.056 0.000 1.219 438 R HN 0.380 nan 8.270 nan 0.000 0.474 439 I N 1.673 122.280 120.570 0.062 0.000 2.378 439 I HA 0.190 4.351 4.170 -0.014 0.000 0.291 439 I C -0.379 175.730 176.117 -0.013 0.000 0.992 439 I CA -0.743 60.580 61.300 0.038 0.000 1.154 439 I CB 1.499 39.515 38.000 0.026 0.000 1.315 439 I HN 0.501 nan 8.210 nan 0.000 0.448 440 N N 6.925 125.587 118.700 -0.063 0.000 2.482 440 N HA 0.083 4.815 4.740 -0.014 0.000 0.242 440 N C 0.916 176.332 175.510 -0.158 0.000 1.100 440 N CA -0.382 52.549 53.050 -0.197 0.000 0.946 440 N CB 0.833 39.050 38.487 -0.450 0.000 1.227 440 N HN 0.376 nan 8.380 nan 0.000 0.508 441 M N 2.115 121.631 119.600 -0.141 0.000 2.144 441 M HA -0.145 4.327 4.480 -0.014 0.000 0.260 441 M C 2.009 178.172 176.300 -0.229 0.000 1.067 441 M CA 1.012 56.236 55.300 -0.127 0.000 1.095 441 M CB -1.654 30.899 32.600 -0.078 0.000 1.365 441 M HN 0.587 nan 8.290 nan 0.000 0.406 442 A N -0.747 121.935 122.820 -0.229 0.000 1.902 442 A HA -0.190 4.122 4.320 -0.014 0.000 0.217 442 A C 2.035 179.414 177.584 -0.342 0.000 1.181 442 A CA 1.660 53.530 52.037 -0.278 0.000 0.623 442 A CB -1.169 17.851 19.000 0.033 0.000 0.818 442 A HN 0.635 nan 8.150 nan 0.000 0.443 443 H N -1.122 117.747 119.070 -0.335 0.000 2.387 443 H HA -0.035 4.512 4.556 -0.014 0.000 0.299 443 H C 2.123 177.243 175.328 -0.346 0.000 1.090 443 H CA 0.920 56.737 56.048 -0.385 0.000 1.332 443 H CB -0.051 29.703 29.762 -0.013 0.000 1.386 443 H HN 0.373 nan 8.280 nan 0.000 0.516 444 L N 0.366 121.517 121.223 -0.121 0.000 2.017 444 L HA -0.225 4.107 4.340 -0.014 0.000 0.208 444 L C 2.290 179.026 176.870 -0.223 0.000 1.073 444 L CA 1.349 56.113 54.840 -0.125 0.000 0.745 444 L CB -0.420 41.587 42.059 -0.086 0.000 0.894 444 L HN 0.445 nan 8.230 nan 0.000 0.432 445 C N 0.039 119.105 119.300 -0.390 0.000 2.429 445 C HA -0.178 4.274 4.460 -0.014 0.000 0.277 445 C C 2.677 177.425 174.990 -0.404 0.000 1.262 445 C CA 0.563 59.278 59.018 -0.506 0.000 1.733 445 C CB -0.785 26.288 27.740 -1.113 0.000 2.010 445 C HN 0.508 nan 8.230 nan 0.000 0.483 446 I N 1.466 121.753 120.570 -0.471 0.000 2.179 446 I HA -0.229 3.933 4.170 -0.014 0.000 0.242 446 I C 2.773 178.725 176.117 -0.275 0.000 1.088 446 I CA 1.739 62.798 61.300 -0.403 0.000 1.357 446 I CB -0.585 37.022 38.000 -0.654 0.000 1.051 446 I HN 0.281 nan 8.210 nan 0.000 0.409 447 A N 0.524 123.157 122.820 -0.312 0.000 1.902 447 A HA -0.111 4.201 4.320 -0.014 0.000 0.217 447 A C 2.188 179.761 177.584 -0.019 0.000 1.181 447 A CA 1.903 53.790 52.037 -0.251 0.000 0.623 447 A CB -1.184 17.513 19.000 -0.505 0.000 0.818 447 A HN 0.488 nan 8.150 nan 0.000 0.443 448 G N -1.065 107.679 108.800 -0.092 0.000 3.371 448 G HA2 0.427 4.379 3.960 -0.014 0.000 0.248 448 G HA3 0.427 4.379 3.960 -0.014 0.000 0.248 448 G C 0.040 174.757 174.900 -0.305 0.000 1.161 448 G CA 0.474 45.385 45.100 -0.314 0.000 0.796 448 G HN 0.341 nan 8.290 nan 0.000 0.539 449 S N -0.423 115.160 115.700 -0.196 0.000 2.542 449 S HA 0.329 4.790 4.470 -0.014 0.000 0.293 449 S C 0.586 175.137 174.600 -0.082 0.000 1.089 449 S CA -0.729 57.396 58.200 -0.126 0.000 0.961 449 S CB 1.264 64.397 63.200 -0.112 0.000 1.062 449 S HN 0.503 nan 8.310 nan 0.000 0.483 450 H N -0.235 118.794 119.070 -0.070 0.000 2.539 450 H HA 0.569 5.117 4.556 -0.014 0.000 0.269 450 H C 0.017 175.333 175.328 -0.019 0.000 0.980 450 H CA 0.156 56.191 56.048 -0.021 0.000 1.152 450 H CB 0.093 29.856 29.762 0.002 0.000 1.407 450 H HN 0.529 nan 8.280 nan 0.000 0.564 451 A N 0.697 123.240 122.820 -0.461 0.000 2.566 451 A HA 0.549 4.860 4.320 -0.014 0.000 0.297 451 A C -1.558 175.821 177.584 -0.342 0.000 1.059 451 A CA -0.545 51.254 52.037 -0.397 0.000 0.691 451 A CB 1.963 20.681 19.000 -0.469 0.000 1.282 451 A HN 0.091 nan 8.150 nan 0.000 0.401 452 V N 3.704 123.383 119.914 -0.391 0.000 2.638 452 V HA 0.620 4.732 4.120 -0.014 0.000 0.306 452 V C -0.720 175.186 176.094 -0.313 0.000 1.052 452 V CA -0.727 61.333 62.300 -0.401 0.000 0.885 452 V CB 1.966 33.401 31.823 -0.647 0.000 0.999 452 V HN 1.056 nan 8.190 nan 0.000 0.424 453 N N 2.618 121.148 118.700 -0.283 0.000 2.284 453 N HA 0.618 5.349 4.740 -0.014 0.000 0.289 453 N C -0.342 175.067 175.510 -0.168 0.000 1.179 453 N CA -0.367 52.564 53.050 -0.199 0.000 0.774 453 N CB 2.863 41.210 38.487 -0.234 0.000 1.548 453 N HN 0.678 nan 8.380 nan 0.000 0.473 454 G N -0.857 107.882 108.800 -0.101 0.000 2.531 454 G HA2 0.436 4.388 3.960 -0.014 0.000 0.313 454 G HA3 0.436 4.388 3.960 -0.014 0.000 0.313 454 G C 0.683 175.645 174.900 0.103 0.000 1.238 454 G CA -0.470 44.631 45.100 0.002 0.000 0.994 454 G HN 0.653 nan 8.290 nan 0.000 0.493 455 V N -3.735 116.354 119.914 0.292 0.000 3.319 455 V HA 0.703 4.815 4.120 -0.014 0.000 0.317 455 V C 0.499 176.664 176.094 0.118 0.000 1.411 455 V CA 0.310 62.678 62.300 0.113 0.000 1.112 455 V CB -0.810 31.008 31.823 -0.010 0.000 1.031 455 V HN 1.375 nan 8.190 nan 0.000 0.448 456 A N -0.190 122.715 122.820 0.143 0.000 2.597 456 A HA 0.636 4.948 4.320 -0.014 0.000 0.292 456 A C 0.627 178.255 177.584 0.075 0.000 1.057 456 A CA -0.144 51.955 52.037 0.104 0.000 0.674 456 A CB 1.101 20.152 19.000 0.086 0.000 1.278 456 A HN 0.007 nan 8.150 nan 0.000 0.416 457 R N 0.513 121.038 120.500 0.042 0.000 2.083 457 R HA -0.151 4.181 4.340 -0.014 0.000 0.237 457 R C 1.775 178.067 176.300 -0.014 0.000 1.137 457 R CA 2.249 58.351 56.100 0.003 0.000 0.951 457 R CB -0.214 30.085 30.300 -0.002 0.000 0.851 457 R HN 0.818 nan 8.270 nan 0.000 0.434 458 I N 0.116 120.687 120.570 0.002 0.000 2.315 458 I HA -0.273 3.889 4.170 -0.014 0.000 0.248 458 I C 2.316 178.429 176.117 -0.005 0.000 1.117 458 I CA 1.812 63.104 61.300 -0.013 0.000 1.404 458 I CB -0.249 37.745 38.000 -0.010 0.000 1.071 458 I HN 0.312 nan 8.210 nan 0.000 0.419 459 H N 0.456 119.493 119.070 -0.056 0.000 2.321 459 H HA -0.131 4.416 4.556 -0.014 0.000 0.300 459 H C 2.239 177.526 175.328 -0.068 0.000 1.087 459 H CA 2.234 58.243 56.048 -0.064 0.000 1.319 459 H CB -0.333 29.396 29.762 -0.055 0.000 1.379 459 H HN 0.261 nan 8.280 nan 0.000 0.501 460 S N 0.144 115.700 115.700 -0.241 0.000 2.382 460 S HA -0.128 4.334 4.470 -0.014 0.000 0.228 460 S C 1.913 176.374 174.600 -0.232 0.000 1.027 460 S CA 1.238 59.278 58.200 -0.266 0.000 0.991 460 S CB -0.092 63.034 63.200 -0.123 0.000 0.823 460 S HN 0.481 nan 8.310 nan 0.000 0.469 461 E N 1.037 121.128 120.200 -0.181 0.000 2.072 461 E HA 0.012 4.354 4.350 -0.014 0.000 0.191 461 E C 2.008 178.483 176.600 -0.208 0.000 0.985 461 E CA 0.592 56.879 56.400 -0.189 0.000 0.801 461 E CB -0.385 29.237 29.700 -0.130 0.000 0.750 461 E HN 0.491 nan 8.360 nan 0.000 0.452 462 I N 0.965 121.424 120.570 -0.185 0.000 2.264 462 I HA -0.287 3.875 4.170 -0.014 0.000 0.248 462 I C 2.353 178.332 176.117 -0.230 0.000 1.111 462 I CA 0.777 61.973 61.300 -0.173 0.000 1.382 462 I CB -0.151 37.774 38.000 -0.124 0.000 1.060 462 I HN 0.070 nan 8.210 nan 0.000 0.418 463 L N 0.176 121.224 121.223 -0.293 0.000 2.017 463 L HA -0.253 4.079 4.340 -0.014 0.000 0.208 463 L C 2.513 179.248 176.870 -0.225 0.000 1.073 463 L CA 1.637 56.308 54.840 -0.281 0.000 0.745 463 L CB -0.607 41.356 42.059 -0.160 0.000 0.894 463 L HN 0.196 nan 8.230 nan 0.000 0.432 464 K N -0.115 120.088 120.400 -0.329 0.000 2.148 464 K HA -0.142 4.170 4.320 -0.014 0.000 0.204 464 K C 2.118 178.514 176.600 -0.339 0.000 1.050 464 K CA 1.055 57.010 56.287 -0.555 0.000 0.942 464 K CB 0.046 31.964 32.500 -0.969 0.000 0.724 464 K HN 0.241 nan 8.250 nan 0.000 0.446 465 K N -0.349 119.903 120.400 -0.247 0.000 2.186 465 K HA 0.008 4.320 4.320 -0.014 0.000 0.202 465 K C 1.300 177.838 176.600 -0.105 0.000 1.052 465 K CA 0.990 57.189 56.287 -0.147 0.000 0.965 465 K CB 0.442 32.865 32.500 -0.129 0.000 0.746 465 K HN 0.078 nan 8.250 nan 0.000 0.457 466 T N 0.364 114.841 114.554 -0.128 0.000 3.066 466 T HA 0.062 4.404 4.350 -0.014 0.000 0.176 466 T C 1.493 176.129 174.700 -0.108 0.000 0.826 466 T CA -0.387 61.650 62.100 -0.105 0.000 1.280 466 T CB -0.470 68.328 68.868 -0.116 0.000 2.214 466 T HN -0.082 nan 8.240 nan 0.000 0.399 467 I N 1.049 121.489 120.570 -0.217 0.000 2.147 467 I HA -0.188 3.973 4.170 -0.014 0.000 0.245 467 I C 0.796 176.809 176.117 -0.173 0.000 1.059 467 I CA 1.908 63.007 61.300 -0.336 0.000 1.320 467 I CB -0.185 37.384 38.000 -0.719 0.000 1.021 467 I HN 0.383 nan 8.210 nan 0.000 0.415 468 F N -0.403 119.624 119.950 0.128 0.000 2.850 468 F HA 0.217 4.736 4.527 -0.014 0.000 0.306 468 F C 1.758 177.656 175.800 0.163 0.000 1.162 468 F CA -0.493 57.668 58.000 0.267 0.000 1.327 468 F CB -0.177 38.999 39.000 0.292 0.000 0.953 468 F HN -0.107 nan 8.300 nan 0.000 0.507 469 K N 1.084 121.593 120.400 0.181 0.000 2.020 469 K HA -0.221 4.090 4.320 -0.014 0.000 0.212 469 K C 1.339 177.992 176.600 0.089 0.000 1.050 469 K CA 2.245 58.582 56.287 0.083 0.000 0.929 469 K CB -0.067 32.447 32.500 0.022 0.000 0.714 469 K HN 0.228 nan 8.250 nan 0.000 0.443 470 D N -0.181 120.237 120.400 0.030 0.000 2.149 470 D HA -0.175 4.457 4.640 -0.014 0.000 0.198 470 D C 1.862 178.075 176.300 -0.144 0.000 0.990 470 D CA 1.259 55.156 54.000 -0.172 0.000 0.839 470 D CB -0.322 40.272 40.800 -0.343 0.000 0.948 470 D HN 0.239 nan 8.370 nan 0.000 0.460 471 F N -0.140 119.898 119.950 0.145 0.000 2.206 471 F HA -0.138 4.380 4.527 -0.014 0.000 0.298 471 F C 2.334 178.287 175.800 0.256 0.000 1.090 471 F CA 0.480 58.650 58.000 0.283 0.000 1.323 471 F CB -0.629 38.623 39.000 0.419 0.000 1.028 471 F HN -0.039 nan 8.300 nan 0.000 0.492 472 Y N 1.356 121.617 120.300 -0.064 0.000 2.242 472 Y HA -0.175 4.367 4.550 -0.014 0.000 0.291 472 Y C 2.088 177.956 175.900 -0.053 0.000 1.137 472 Y CA 1.554 59.397 58.100 -0.430 0.000 1.181 472 Y CB -0.614 37.428 38.460 -0.695 0.000 0.989 472 Y HN 0.140 nan 8.280 nan 0.000 0.527 473 E N -0.122 120.002 120.200 -0.126 0.000 2.106 473 E HA -0.187 4.154 4.350 -0.014 0.000 0.192 473 E C 2.258 178.903 176.600 0.075 0.000 0.984 473 E CA 0.975 57.321 56.400 -0.091 0.000 0.806 473 E CB -0.211 29.496 29.700 0.011 0.000 0.750 473 E HN 0.438 nan 8.360 nan 0.000 0.458 474 L N 0.864 122.187 121.223 0.167 0.000 2.044 474 L HA -0.090 4.242 4.340 -0.014 0.000 0.205 474 L C 0.170 177.121 176.870 0.134 0.000 1.075 474 L CA 1.499 56.471 54.840 0.221 0.000 0.747 474 L CB 0.102 42.312 42.059 0.251 0.000 0.903 474 L HN 0.077 nan 8.230 nan 0.000 0.435 475 E N 0.013 120.287 120.200 0.123 0.000 2.914 475 E HA 0.173 4.514 4.350 -0.014 0.000 0.246 475 E C -2.002 174.538 176.600 -0.099 0.000 1.146 475 E CA -1.436 54.922 56.400 -0.069 0.000 0.803 475 E CB 1.001 30.618 29.700 -0.137 0.000 1.409 475 E HN 0.186 nan 8.360 nan 0.000 0.392 476 P HA -0.250 nan 4.420 nan 0.000 0.219 476 P C 1.206 178.609 177.300 0.173 0.000 1.146 476 P CA 1.396 64.406 63.100 -0.149 0.000 0.808 476 P CB -0.071 31.420 31.700 -0.348 0.000 0.779 477 H N 0.313 119.494 119.070 0.184 0.000 2.456 477 H HA 0.044 4.592 4.556 -0.014 0.000 0.296 477 H C 1.589 177.011 175.328 0.157 0.000 1.079 477 H CA 0.861 57.003 56.048 0.158 0.000 1.322 477 H CB -0.699 29.124 29.762 0.102 0.000 1.388 477 H HN 0.131 nan 8.280 nan 0.000 0.538 478 K N 0.516 120.834 120.400 -0.135 0.000 2.097 478 K HA -0.021 4.291 4.320 -0.014 0.000 0.206 478 K C 0.064 176.532 176.600 -0.221 0.000 1.049 478 K CA 0.579 56.761 56.287 -0.175 0.000 0.933 478 K CB -0.068 32.186 32.500 -0.410 0.000 0.717 478 K HN 0.108 nan 8.250 nan 0.000 0.442 479 F N 1.900 121.882 119.950 0.054 0.000 2.467 479 F HA 0.083 4.601 4.527 -0.014 0.000 0.362 479 F C 0.637 176.441 175.800 0.006 0.000 1.090 479 F CA 0.049 58.078 58.000 0.048 0.000 1.202 479 F CB 0.638 39.720 39.000 0.136 0.000 1.113 479 F HN 0.007 nan 8.300 nan 0.000 0.541 480 Q N 1.799 121.630 119.800 0.052 0.000 2.857 480 Q HA 0.423 4.755 4.340 -0.014 0.000 0.319 480 Q C -1.242 174.716 176.000 -0.070 0.000 0.963 480 Q CA -1.359 54.429 55.803 -0.026 0.000 0.770 480 Q CB 2.726 31.398 28.738 -0.110 0.000 1.492 480 Q HN 0.645 nan 8.270 nan 0.000 0.493 481 N N 0.119 118.754 118.700 -0.108 0.000 2.284 481 N HA 0.302 5.033 4.740 -0.014 0.000 0.289 481 N C -1.660 173.749 175.510 -0.168 0.000 1.179 481 N CA -0.434 52.551 53.050 -0.108 0.000 0.774 481 N CB 1.592 40.039 38.487 -0.065 0.000 1.548 481 N HN 0.325 nan 8.380 nan 0.000 0.473 482 K N 2.415 122.726 120.400 -0.147 0.000 2.764 482 K HA 0.174 4.486 4.320 -0.014 0.000 0.239 482 K C -1.089 175.529 176.600 0.030 0.000 1.048 482 K CA -0.451 55.730 56.287 -0.177 0.000 1.057 482 K CB 1.131 33.304 32.500 -0.544 0.000 1.251 482 K HN 0.579 nan 8.250 nan 0.000 0.524 483 T N 2.014 116.602 114.554 0.056 0.000 2.908 483 T HA 0.040 4.382 4.350 -0.014 0.000 0.301 483 T C 0.831 175.663 174.700 0.221 0.000 1.019 483 T CA 0.419 62.602 62.100 0.137 0.000 1.152 483 T CB 0.257 69.212 68.868 0.146 0.000 0.966 483 T HN 0.346 nan 8.240 nan 0.000 0.540 484 N N 0.645 119.490 118.700 0.241 0.000 2.231 484 N HA 0.408 5.140 4.740 -0.014 0.000 0.223 484 N C 0.551 176.245 175.510 0.307 0.000 1.329 484 N CA -0.149 53.076 53.050 0.292 0.000 0.889 484 N CB 0.369 38.965 38.487 0.182 0.000 1.125 484 N HN 0.771 nan 8.380 nan 0.000 0.447 485 G N -0.823 108.164 108.800 0.311 0.000 2.663 485 G HA2 0.614 4.566 3.960 -0.014 0.000 0.299 485 G HA3 0.614 4.566 3.960 -0.014 0.000 0.299 485 G C -1.503 173.530 174.900 0.222 0.000 1.372 485 G CA -0.742 44.530 45.100 0.286 0.000 0.781 485 G HN 0.606 nan 8.290 nan 0.000 0.491 486 I N -2.759 117.930 120.570 0.198 0.000 3.074 486 I HA 0.768 4.930 4.170 -0.014 0.000 0.310 486 I C -0.347 175.928 176.117 0.264 0.000 1.153 486 I CA -1.019 60.391 61.300 0.184 0.000 0.993 486 I CB 2.386 40.379 38.000 -0.011 0.000 1.237 486 I HN 0.509 nan 8.210 nan 0.000 0.443 487 T N 3.554 118.332 114.554 0.372 0.000 2.749 487 T HA 0.385 4.727 4.350 -0.014 0.000 0.295 487 T C -1.414 173.408 174.700 0.203 0.000 0.936 487 T CA -1.756 60.482 62.100 0.230 0.000 1.060 487 T CB 0.783 69.731 68.868 0.134 0.000 0.904 487 T HN 0.605 nan 8.240 nan 0.000 0.500 488 P HA -0.072 nan 4.420 nan 0.000 0.219 488 P C 1.245 178.523 177.300 -0.036 0.000 1.146 488 P CA 0.712 63.852 63.100 0.067 0.000 0.808 488 P CB 0.342 32.058 31.700 0.026 0.000 0.779 489 R N 0.219 120.641 120.500 -0.130 0.000 2.082 489 R HA -0.055 4.277 4.340 -0.014 0.000 0.228 489 R C 2.750 178.933 176.300 -0.195 0.000 1.140 489 R CA 1.736 57.714 56.100 -0.203 0.000 0.920 489 R CB -1.261 28.913 30.300 -0.210 0.000 0.828 489 R HN 0.078 nan 8.270 nan 0.000 0.430 490 R N -0.693 119.635 120.500 -0.286 0.000 2.075 490 R HA -0.121 4.211 4.340 -0.014 0.000 0.232 490 R C 1.381 177.341 176.300 -0.567 0.000 1.126 490 R CA 1.648 57.436 56.100 -0.520 0.000 0.963 490 R CB -0.244 29.565 30.300 -0.819 0.000 0.858 490 R HN 0.315 nan 8.270 nan 0.000 0.435 491 W N 0.082 121.338 121.300 -0.073 0.000 3.292 491 W HA 0.082 4.734 4.660 -0.015 0.000 0.263 491 W C 1.115 177.602 176.519 -0.053 0.000 1.318 491 W CA -0.593 56.709 57.345 -0.072 0.000 1.663 491 W CB 0.310 29.733 29.460 -0.060 0.000 1.114 491 W HN 0.259 nan 8.180 nan 0.000 0.706 492 L N -2.382 118.896 121.223 0.092 0.000 3.202 492 L HA 0.165 4.497 4.340 -0.014 0.000 0.166 492 L C 1.807 178.692 176.870 0.025 0.000 1.204 492 L CA 0.687 55.577 54.840 0.083 0.000 0.894 492 L CB -0.894 41.238 42.059 0.122 0.000 1.719 492 L HN -0.269 nan 8.230 nan 0.000 0.562 493 V N 1.357 121.265 119.914 -0.010 0.000 2.324 493 V HA -0.288 3.823 4.120 -0.014 0.000 0.250 493 V C 2.460 178.525 176.094 -0.049 0.000 1.060 493 V CA 2.548 64.829 62.300 -0.031 0.000 1.042 493 V CB -0.811 30.962 31.823 -0.084 0.000 0.650 493 V HN 0.533 nan 8.190 nan 0.000 0.450 494 L N 0.459 121.625 121.223 -0.096 0.000 2.007 494 L HA -0.164 4.168 4.340 -0.014 0.000 0.205 494 L C 2.550 179.358 176.870 -0.104 0.000 1.073 494 L CA 2.295 57.063 54.840 -0.119 0.000 0.744 494 L CB -0.287 41.651 42.059 -0.202 0.000 0.898 494 L HN 0.635 nan 8.230 nan 0.000 0.435 495 C N -1.572 117.658 119.300 -0.115 0.000 2.514 495 C HA 0.158 4.609 4.460 -0.014 0.000 0.271 495 C C 1.181 176.154 174.990 -0.029 0.000 1.399 495 C CA -0.249 58.722 59.018 -0.079 0.000 1.765 495 C CB -1.164 26.531 27.740 -0.075 0.000 1.893 495 C HN 0.586 nan 8.230 nan 0.000 0.531 496 N N 1.119 119.813 118.700 -0.010 0.000 2.733 496 N HA 0.292 5.024 4.740 -0.014 0.000 0.271 496 N C -1.786 173.735 175.510 0.019 0.000 1.720 496 N CA -1.624 51.432 53.050 0.010 0.000 0.803 496 N CB 0.854 39.356 38.487 0.024 0.000 1.208 496 N HN 0.236 nan 8.380 nan 0.000 0.498 497 P HA -0.023 nan 4.420 nan 0.000 0.218 497 P C 1.392 178.708 177.300 0.027 0.000 1.149 497 P CA 0.839 63.950 63.100 0.018 0.000 0.817 497 P CB 0.274 31.978 31.700 0.007 0.000 0.785 498 G N 0.755 109.566 108.800 0.018 0.000 2.440 498 G HA2 -0.249 3.703 3.960 -0.014 0.000 0.218 498 G HA3 -0.249 3.703 3.960 -0.014 0.000 0.218 498 G C 1.513 176.422 174.900 0.014 0.000 1.154 498 G CA 0.754 45.862 45.100 0.014 0.000 0.767 498 G HN 0.272 nan 8.290 nan 0.000 0.552 499 L N 1.105 122.338 121.223 0.017 0.000 2.109 499 L HA 0.339 4.671 4.340 -0.014 0.000 0.207 499 L C 2.969 179.870 176.870 0.052 0.000 1.086 499 L CA 1.907 56.755 54.840 0.013 0.000 0.760 499 L CB -0.623 41.444 42.059 0.013 0.000 0.910 499 L HN 0.206 nan 8.230 nan 0.000 0.437 500 A N -0.663 122.209 122.820 0.086 0.000 1.933 500 A HA -0.217 4.095 4.320 -0.014 0.000 0.218 500 A C 2.217 179.898 177.584 0.161 0.000 1.175 500 A CA 1.620 53.758 52.037 0.169 0.000 0.628 500 A CB -0.616 18.477 19.000 0.156 0.000 0.814 500 A HN 0.544 nan 8.150 nan 0.000 0.444 501 E N 0.925 121.182 120.200 0.095 0.000 2.031 501 E HA -0.180 4.162 4.350 -0.014 0.000 0.193 501 E C 1.869 178.515 176.600 0.076 0.000 0.994 501 E CA 1.728 58.175 56.400 0.078 0.000 0.800 501 E CB -0.535 29.192 29.700 0.046 0.000 0.752 501 E HN 0.724 nan 8.360 nan 0.000 0.447 502 I N -1.604 119.005 120.570 0.066 0.000 2.361 502 I HA -0.158 4.004 4.170 -0.014 0.000 0.251 502 I C 2.185 178.392 176.117 0.150 0.000 1.133 502 I CA 1.199 62.555 61.300 0.093 0.000 1.413 502 I CB -0.389 37.642 38.000 0.053 0.000 1.073 502 I HN 0.044 nan 8.210 nan 0.000 0.424 503 I N 1.979 122.613 120.570 0.108 0.000 2.252 503 I HA -0.190 3.972 4.170 -0.014 0.000 0.245 503 I C 3.008 179.093 176.117 -0.054 0.000 1.102 503 I CA 1.357 62.655 61.300 -0.004 0.000 1.385 503 I CB -0.406 37.485 38.000 -0.182 0.000 1.064 503 I HN 0.300 nan 8.210 nan 0.000 0.414 504 A N 0.166 123.045 122.820 0.098 0.000 1.969 504 A HA -0.214 4.098 4.320 -0.014 0.000 0.218 504 A C 2.161 179.779 177.584 0.057 0.000 1.169 504 A CA 1.468 53.604 52.037 0.166 0.000 0.635 504 A CB -0.548 18.581 19.000 0.214 0.000 0.810 504 A HN 0.414 nan 8.150 nan 0.000 0.445 505 E N -0.619 119.599 120.200 0.030 0.000 2.160 505 E HA -0.202 4.139 4.350 -0.014 0.000 0.195 505 E C 2.250 178.819 176.600 -0.053 0.000 0.991 505 E CA 1.227 57.629 56.400 0.004 0.000 0.810 505 E CB -0.006 29.704 29.700 0.017 0.000 0.742 505 E HN 0.522 nan 8.360 nan 0.000 0.466 506 R N -0.064 120.347 120.500 -0.148 0.000 2.103 506 R HA 0.078 4.409 4.340 -0.014 0.000 0.212 506 R C 2.305 178.496 176.300 -0.183 0.000 1.107 506 R CA 0.847 56.770 56.100 -0.295 0.000 1.025 506 R CB -0.319 29.490 30.300 -0.818 0.000 0.929 506 R HN 0.277 nan 8.270 nan 0.000 0.456 507 I N -2.256 118.222 120.570 -0.153 0.000 4.025 507 I HA 0.446 4.608 4.170 -0.014 0.000 0.336 507 I C 0.510 176.661 176.117 0.056 0.000 1.390 507 I CA 0.079 61.351 61.300 -0.047 0.000 1.099 507 I CB 0.818 38.768 38.000 -0.084 0.000 1.049 507 I HN 0.230 nan 8.210 nan 0.000 0.394 508 G N 1.885 110.733 108.800 0.080 0.000 2.627 508 G HA2 -0.210 3.742 3.960 -0.014 0.000 0.214 508 G HA3 -0.210 3.742 3.960 -0.014 0.000 0.214 508 G C -0.010 175.027 174.900 0.229 0.000 1.331 508 G CA 0.199 45.372 45.100 0.122 0.000 0.891 508 G HN 0.414 nan 8.290 nan 0.000 0.539 509 E N -0.531 119.749 120.200 0.132 0.000 2.490 509 E HA 0.100 4.442 4.350 -0.014 0.000 0.209 509 E C 1.773 178.320 176.600 -0.089 0.000 0.971 509 E CA -0.066 56.339 56.400 0.009 0.000 0.988 509 E CB 0.315 30.014 29.700 -0.001 0.000 1.029 509 E HN 0.450 nan 8.360 nan 0.000 0.496 510 E N 0.616 120.838 120.200 0.038 0.000 2.396 510 E HA -0.182 4.160 4.350 -0.014 0.000 0.200 510 E C 1.464 178.076 176.600 0.020 0.000 1.023 510 E CA 0.813 57.231 56.400 0.030 0.000 0.857 510 E CB 0.027 29.764 29.700 0.061 0.000 0.775 510 E HN 0.517 nan 8.360 nan 0.000 0.525 511 Y N -1.486 118.821 120.300 0.011 0.000 2.516 511 Y HA -0.003 4.540 4.550 -0.012 0.000 0.291 511 Y C 1.853 177.734 175.900 -0.032 0.000 1.131 511 Y CA 0.238 58.336 58.100 -0.003 0.000 1.281 511 Y CB -0.315 38.145 38.460 -0.000 0.000 1.013 511 Y HN -0.102 nan 8.280 nan 0.000 0.554 512 I N 1.261 121.380 120.570 -0.751 0.000 2.454 512 I HA -0.208 3.954 4.170 -0.014 0.000 0.254 512 I C 1.509 177.398 176.117 -0.380 0.000 1.156 512 I CA 1.748 62.662 61.300 -0.644 0.000 1.433 512 I CB -1.276 36.254 38.000 -0.784 0.000 1.082 512 I HN 0.516 nan 8.210 nan 0.000 0.432 513 S N -1.530 114.050 115.700 -0.200 0.000 2.650 513 S HA 0.199 4.661 4.470 -0.014 0.000 0.240 513 S C 0.259 174.853 174.600 -0.010 0.000 1.007 513 S CA -0.423 57.733 58.200 -0.074 0.000 0.984 513 S CB 0.406 63.635 63.200 0.050 0.000 0.910 513 S HN 0.299 nan 8.310 nan 0.000 0.509 514 D N 0.900 121.303 120.400 0.004 0.000 2.978 514 D HA 0.233 4.865 4.640 -0.014 0.000 0.268 514 D C 0.692 177.044 176.300 0.086 0.000 1.252 514 D CA -0.344 53.681 54.000 0.042 0.000 0.771 514 D CB -0.155 40.673 40.800 0.048 0.000 1.361 514 D HN 0.102 nan 8.370 nan 0.000 0.558 515 L N 0.350 121.624 121.223 0.085 0.000 2.351 515 L HA -0.147 4.185 4.340 -0.014 0.000 0.220 515 L C 1.059 177.981 176.870 0.086 0.000 1.127 515 L CA 1.210 56.126 54.840 0.127 0.000 0.786 515 L CB 0.037 42.159 42.059 0.105 0.000 0.914 515 L HN 0.304 nan 8.230 nan 0.000 0.443 516 D N -0.356 120.073 120.400 0.048 0.000 2.218 516 D HA -0.202 4.430 4.640 -0.014 0.000 0.204 516 D C 2.044 178.362 176.300 0.030 0.000 0.976 516 D CA 0.874 54.886 54.000 0.020 0.000 0.853 516 D CB 0.011 40.813 40.800 0.002 0.000 0.939 516 D HN 0.480 nan 8.370 nan 0.000 0.481 517 Q N -0.199 119.637 119.800 0.059 0.000 2.439 517 Q HA -0.108 4.223 4.340 -0.014 0.000 0.211 517 Q C 1.733 177.744 176.000 0.018 0.000 0.978 517 Q CA 0.124 55.961 55.803 0.057 0.000 0.897 517 Q CB 0.073 28.876 28.738 0.108 0.000 0.956 517 Q HN 0.183 nan 8.270 nan 0.000 0.483 518 L N 0.664 121.891 121.223 0.006 0.000 2.265 518 L HA -0.160 4.172 4.340 -0.014 0.000 0.215 518 L C 2.041 178.897 176.870 -0.025 0.000 1.117 518 L CA 1.486 56.291 54.840 -0.058 0.000 0.782 518 L CB -0.447 41.593 42.059 -0.031 0.000 0.914 518 L HN 0.131 nan 8.230 nan 0.000 0.441 519 R N -0.441 120.058 120.500 -0.001 0.000 2.127 519 R HA -0.179 4.153 4.340 -0.014 0.000 0.238 519 R C 1.936 178.242 176.300 0.010 0.000 1.134 519 R CA 1.062 57.166 56.100 0.006 0.000 0.975 519 R CB -0.221 30.080 30.300 0.002 0.000 0.865 519 R HN 0.418 nan 8.270 nan 0.000 0.447 520 K N 0.596 121.002 120.400 0.010 0.000 2.360 520 K HA -0.105 4.207 4.320 -0.014 0.000 0.201 520 K C 1.829 178.479 176.600 0.084 0.000 1.046 520 K CA 0.733 57.040 56.287 0.034 0.000 0.940 520 K CB -0.064 32.459 32.500 0.038 0.000 0.748 520 K HN 0.253 nan 8.250 nan 0.000 0.465 521 L N 0.587 121.833 121.223 0.037 0.000 2.465 521 L HA -0.114 4.218 4.340 -0.014 0.000 0.224 521 L C 1.861 178.798 176.870 0.112 0.000 1.145 521 L CA 0.053 54.920 54.840 0.045 0.000 0.834 521 L CB -0.162 41.885 42.059 -0.020 0.000 0.944 521 L HN 0.146 nan 8.230 nan 0.000 0.451 522 L N 0.085 121.346 121.223 0.064 0.000 2.083 522 L HA -0.190 4.142 4.340 -0.014 0.000 0.209 522 L C 2.746 179.616 176.870 0.001 0.000 1.083 522 L CA 2.046 56.909 54.840 0.039 0.000 0.752 522 L CB -0.955 41.111 42.059 0.012 0.000 0.899 522 L HN 0.340 nan 8.230 nan 0.000 0.433 523 S N -2.489 113.173 115.700 -0.064 0.000 2.603 523 S HA -0.116 4.346 4.470 -0.014 0.000 0.229 523 S C 1.237 175.581 174.600 -0.426 0.000 0.972 523 S CA 0.431 58.486 58.200 -0.241 0.000 0.935 523 S CB -0.588 62.411 63.200 -0.334 0.000 0.769 523 S HN 0.496 nan 8.310 nan 0.000 0.536 524 Y N -0.597 119.631 120.300 -0.121 0.000 2.557 524 Y HA 0.426 4.974 4.550 -0.004 0.000 0.247 524 Y C 1.896 177.812 175.900 0.026 0.000 1.164 524 Y CA -0.515 57.505 58.100 -0.134 0.000 1.218 524 Y CB 0.244 38.424 38.460 -0.466 0.000 1.210 524 Y HN 0.247 nan 8.280 nan 0.000 0.529 525 V N 0.515 120.511 119.914 0.137 0.000 2.828 525 V HA -0.229 3.882 4.120 -0.014 0.000 0.260 525 V C 0.886 177.048 176.094 0.113 0.000 1.101 525 V CA 2.298 64.684 62.300 0.143 0.000 1.123 525 V CB -0.036 31.833 31.823 0.078 0.000 0.704 525 V HN 0.382 nan 8.190 nan 0.000 0.493 526 D N -1.076 119.370 120.400 0.077 0.000 2.433 526 D HA 0.118 4.750 4.640 -0.014 0.000 0.211 526 D C 0.365 176.710 176.300 0.075 0.000 1.114 526 D CA -0.099 53.936 54.000 0.057 0.000 0.837 526 D CB 0.152 40.962 40.800 0.016 0.000 0.984 526 D HN 0.435 nan 8.370 nan 0.000 0.505 527 D N 1.626 122.101 120.400 0.126 0.000 2.371 527 D HA -0.052 4.580 4.640 -0.014 0.000 0.256 527 D C 1.202 177.604 176.300 0.170 0.000 1.193 527 D CA 0.139 54.234 54.000 0.159 0.000 0.881 527 D CB 1.650 42.614 40.800 0.275 0.000 1.143 527 D HN -0.220 nan 8.370 nan 0.000 0.473 528 E N 3.382 123.651 120.200 0.115 0.000 2.106 528 E HA -0.101 4.241 4.350 -0.014 0.000 0.192 528 E C 1.653 178.314 176.600 0.100 0.000 0.984 528 E CA 1.294 57.749 56.400 0.091 0.000 0.806 528 E CB -0.187 29.549 29.700 0.059 0.000 0.750 528 E HN 0.585 nan 8.360 nan 0.000 0.458 529 A N -0.137 122.758 122.820 0.125 0.000 1.855 529 A HA -0.135 4.177 4.320 -0.014 0.000 0.215 529 A C 2.301 179.979 177.584 0.157 0.000 1.191 529 A CA 1.312 53.421 52.037 0.120 0.000 0.613 529 A CB -1.127 17.948 19.000 0.125 0.000 0.829 529 A HN 0.389 nan 8.150 nan 0.000 0.442 530 F N 0.483 120.457 119.950 0.040 0.000 2.065 530 F HA -0.248 4.272 4.527 -0.012 0.000 0.298 530 F C 2.148 177.962 175.800 0.023 0.000 1.112 530 F CA 1.962 59.974 58.000 0.021 0.000 1.212 530 F CB -0.186 38.841 39.000 0.046 0.000 0.975 530 F HN 0.179 nan 8.300 nan 0.000 0.476 531 I N 0.022 120.652 120.570 0.100 0.000 2.185 531 I HA -0.389 3.773 4.170 -0.014 0.000 0.246 531 I C 2.548 178.629 176.117 -0.060 0.000 1.088 531 I CA 1.775 63.074 61.300 -0.002 0.000 1.347 531 I CB -0.502 37.535 38.000 0.062 0.000 1.041 531 I HN 0.143 nan 8.210 nan 0.000 0.415 532 R N 0.796 121.280 120.500 -0.026 0.000 2.075 532 R HA -0.178 4.154 4.340 -0.014 0.000 0.232 532 R C 1.918 178.174 176.300 -0.074 0.000 1.126 532 R CA 1.815 57.895 56.100 -0.034 0.000 0.963 532 R CB -0.111 30.187 30.300 -0.004 0.000 0.858 532 R HN 0.265 nan 8.270 nan 0.000 0.435 533 D N -0.262 120.073 120.400 -0.108 0.000 2.078 533 D HA -0.134 4.498 4.640 -0.014 0.000 0.193 533 D C 1.962 178.129 176.300 -0.223 0.000 0.990 533 D CA 1.469 55.381 54.000 -0.145 0.000 0.827 533 D CB -0.382 40.335 40.800 -0.138 0.000 0.975 533 D HN 0.051 nan 8.370 nan 0.000 0.451 534 V N 1.466 121.137 119.914 -0.405 0.000 2.324 534 V HA -0.297 3.815 4.120 -0.014 0.000 0.250 534 V C 2.462 178.458 176.094 -0.163 0.000 1.060 534 V CA 2.058 64.141 62.300 -0.362 0.000 1.042 534 V CB -0.828 30.720 31.823 -0.459 0.000 0.650 534 V HN 0.221 nan 8.190 nan 0.000 0.450 535 A N -0.978 121.769 122.820 -0.122 0.000 2.015 535 A HA -0.214 4.098 4.320 -0.014 0.000 0.219 535 A C 2.347 179.898 177.584 -0.055 0.000 1.163 535 A CA 1.914 53.917 52.037 -0.057 0.000 0.646 535 A CB -0.393 18.581 19.000 -0.043 0.000 0.806 535 A HN 0.540 nan 8.150 nan 0.000 0.448 536 K N 0.157 120.517 120.400 -0.067 0.000 2.007 536 K HA -0.097 4.214 4.320 -0.014 0.000 0.206 536 K C 2.042 178.618 176.600 -0.040 0.000 1.047 536 K CA 1.654 57.912 56.287 -0.049 0.000 0.937 536 K CB -0.376 32.098 32.500 -0.044 0.000 0.718 536 K HN 0.402 nan 8.250 nan 0.000 0.438 537 V N 0.241 120.126 119.914 -0.049 0.000 2.332 537 V HA -0.232 3.879 4.120 -0.014 0.000 0.248 537 V C 2.222 178.306 176.094 -0.017 0.000 1.055 537 V CA 2.187 64.468 62.300 -0.031 0.000 1.038 537 V CB -0.732 31.068 31.823 -0.038 0.000 0.651 537 V HN 0.224 nan 8.190 nan 0.000 0.450 538 K N 0.618 121.006 120.400 -0.021 0.000 2.097 538 K HA -0.209 4.103 4.320 -0.014 0.000 0.206 538 K C 2.261 178.846 176.600 -0.024 0.000 1.049 538 K CA 2.148 58.432 56.287 -0.005 0.000 0.933 538 K CB -0.671 31.840 32.500 0.019 0.000 0.717 538 K HN 0.590 nan 8.250 nan 0.000 0.442 539 Q N 0.946 120.724 119.800 -0.036 0.000 2.119 539 Q HA -0.061 4.271 4.340 -0.014 0.000 0.201 539 Q C 1.602 177.587 176.000 -0.024 0.000 0.972 539 Q CA 1.802 57.575 55.803 -0.051 0.000 0.847 539 Q CB -0.027 28.682 28.738 -0.047 0.000 0.903 539 Q HN 0.524 nan 8.270 nan 0.000 0.433 540 E N -0.588 119.609 120.200 -0.006 0.000 2.106 540 E HA -0.119 4.222 4.350 -0.014 0.000 0.192 540 E C 1.672 178.297 176.600 0.042 0.000 0.984 540 E CA 0.846 57.256 56.400 0.017 0.000 0.806 540 E CB 0.021 29.729 29.700 0.013 0.000 0.750 540 E HN 0.372 nan 8.360 nan 0.000 0.458 541 N N 0.980 119.703 118.700 0.038 0.000 2.120 541 N HA -0.138 4.594 4.740 -0.014 0.000 0.188 541 N C 1.440 177.027 175.510 0.129 0.000 1.024 541 N CA 1.070 54.162 53.050 0.070 0.000 0.852 541 N CB -0.069 38.444 38.487 0.043 0.000 1.003 541 N HN 0.107 nan 8.380 nan 0.000 0.424 542 K N 0.386 120.831 120.400 0.076 0.000 2.148 542 K HA 0.027 4.339 4.320 -0.014 0.000 0.204 542 K C 2.008 178.722 176.600 0.190 0.000 1.050 542 K CA 0.562 56.910 56.287 0.101 0.000 0.942 542 K CB -0.063 32.265 32.500 -0.287 0.000 0.724 542 K HN 0.127 nan 8.250 nan 0.000 0.446 543 L N 0.917 122.203 121.223 0.106 0.000 2.072 543 L HA -0.134 4.198 4.340 -0.014 0.000 0.205 543 L C 2.554 179.512 176.870 0.148 0.000 1.079 543 L CA 1.052 55.958 54.840 0.109 0.000 0.752 543 L CB -0.225 41.872 42.059 0.064 0.000 0.906 543 L HN 0.075 nan 8.230 nan 0.000 0.436 544 K N -0.375 120.120 120.400 0.158 0.000 2.097 544 K HA -0.194 4.118 4.320 -0.014 0.000 0.206 544 K C 2.158 178.907 176.600 0.249 0.000 1.049 544 K CA 1.494 57.884 56.287 0.172 0.000 0.933 544 K CB -0.155 32.434 32.500 0.148 0.000 0.717 544 K HN 0.118 nan 8.250 nan 0.000 0.442 545 F N 1.301 121.340 119.950 0.147 0.000 2.163 545 F HA -0.045 4.474 4.527 -0.014 0.000 0.297 545 F C 2.085 178.014 175.800 0.215 0.000 1.094 545 F CA 1.097 59.198 58.000 0.169 0.000 1.290 545 F CB -0.467 38.629 39.000 0.160 0.000 1.017 545 F HN -0.007 nan 8.300 nan 0.000 0.483 546 A N 0.136 123.084 122.820 0.213 0.000 2.024 546 A HA -0.062 4.249 4.320 -0.014 0.000 0.220 546 A C 2.356 179.940 177.584 -0.000 0.000 1.164 546 A CA 1.789 53.871 52.037 0.076 0.000 0.643 546 A CB -1.390 17.712 19.000 0.170 0.000 0.806 546 A HN 0.466 nan 8.150 nan 0.000 0.451 547 A N -1.340 121.516 122.820 0.060 0.000 1.855 547 A HA 0.016 4.327 4.320 -0.014 0.000 0.213 547 A C 2.092 179.694 177.584 0.030 0.000 1.195 547 A CA 1.390 53.460 52.037 0.055 0.000 0.610 547 A CB -0.953 18.098 19.000 0.084 0.000 0.837 547 A HN 0.745 nan 8.150 nan 0.000 0.444 548 Y N 0.308 120.560 120.300 -0.081 0.000 2.139 548 Y HA -0.261 4.281 4.550 -0.013 0.000 0.282 548 Y C 1.890 177.706 175.900 -0.141 0.000 1.179 548 Y CA 1.886 59.929 58.100 -0.095 0.000 1.161 548 Y CB -0.397 38.022 38.460 -0.069 0.000 0.970 548 Y HN 0.194 nan 8.280 nan 0.000 0.511 549 L N 0.882 122.046 121.223 -0.097 0.000 2.012 549 L HA -0.232 4.099 4.340 -0.014 0.000 0.210 549 L C 2.359 179.177 176.870 -0.086 0.000 1.073 549 L CA 2.141 56.906 54.840 -0.126 0.000 0.748 549 L CB -1.054 40.851 42.059 -0.257 0.000 0.891 549 L HN 0.368 nan 8.230 nan 0.000 0.431 550 E N -1.722 118.433 120.200 -0.074 0.000 2.216 550 E HA -0.126 4.216 4.350 -0.014 0.000 0.192 550 E C 2.261 178.811 176.600 -0.084 0.000 0.988 550 E CA 0.237 56.617 56.400 -0.032 0.000 0.834 550 E CB 0.133 29.851 29.700 0.030 0.000 0.772 550 E HN 0.362 nan 8.360 nan 0.000 0.479 551 R N 0.704 121.115 120.500 -0.148 0.000 2.082 551 R HA -0.136 4.195 4.340 -0.014 0.000 0.228 551 R C 1.935 178.062 176.300 -0.289 0.000 1.140 551 R CA 1.557 57.544 56.100 -0.189 0.000 0.920 551 R CB -0.025 30.152 30.300 -0.205 0.000 0.828 551 R HN -0.026 nan 8.270 nan 0.000 0.430 552 E N -1.614 118.269 120.200 -0.527 0.000 2.385 552 E HA -0.061 4.281 4.350 -0.014 0.000 0.194 552 E C 0.695 176.829 176.600 -0.777 0.000 1.013 552 E CA 0.791 56.760 56.400 -0.719 0.000 0.866 552 E CB 0.413 29.449 29.700 -1.106 0.000 0.832 552 E HN 0.369 nan 8.360 nan 0.000 0.500 553 Y N -0.175 119.996 120.300 -0.215 0.000 2.452 553 Y HA 0.281 4.823 4.550 -0.014 0.000 0.262 553 Y C -0.356 175.508 175.900 -0.060 0.000 1.089 553 Y CA -0.442 57.597 58.100 -0.101 0.000 1.262 553 Y CB 0.799 39.216 38.460 -0.071 0.000 1.236 553 Y HN -0.340 nan 8.280 nan 0.000 0.512 554 K N 1.032 121.460 120.400 0.046 0.000 6.236 554 K HA -0.072 4.240 4.320 -0.014 0.000 0.607 554 K C -0.585 176.053 176.600 0.063 0.000 1.570 554 K CA 0.954 57.264 56.287 0.038 0.000 1.551 554 K CB -1.527 30.985 32.500 0.019 0.000 1.812 554 K HN 0.453 nan 8.250 nan 0.000 0.338 555 V N -2.571 117.385 119.914 0.070 0.000 5.895 555 V HA -0.002 4.110 4.120 -0.014 0.000 0.796 555 V C -0.121 176.048 176.094 0.126 0.000 2.244 555 V CA -0.009 62.346 62.300 0.091 0.000 4.163 555 V CB -1.171 30.701 31.823 0.082 0.000 0.117 555 V HN 1.001 nan 8.190 nan 0.000 0.607 556 H N 0.979 120.054 119.070 0.010 0.000 2.991 556 H HA -0.089 4.459 4.556 -0.014 0.000 0.255 556 H C -0.253 175.081 175.328 0.010 0.000 0.700 556 H CA 1.934 57.990 56.048 0.013 0.000 0.964 556 H CB 0.099 29.874 29.762 0.022 0.000 1.230 556 H HN 1.278 nan 8.280 nan 0.000 0.450 557 I N 0.108 120.325 120.570 -0.588 0.000 3.195 557 I HA 0.429 4.591 4.170 -0.014 0.000 0.313 557 I C -0.650 175.229 176.117 -0.397 0.000 1.237 557 I CA -1.307 59.801 61.300 -0.319 0.000 0.963 557 I CB 2.203 40.098 38.000 -0.176 0.000 1.278 557 I HN 0.606 nan 8.210 nan 0.000 0.460 558 N N 2.995 121.663 118.700 -0.053 0.000 2.469 558 N HA 0.507 5.238 4.740 -0.014 0.000 0.253 558 N C -2.223 173.381 175.510 0.156 0.000 0.970 558 N CA -2.551 50.528 53.050 0.048 0.000 0.940 558 N CB 1.546 40.086 38.487 0.087 0.000 1.128 558 N HN 0.331 nan 8.380 nan 0.000 0.503 559 P HA 0.045 nan 4.420 nan 0.000 0.239 559 P C -0.081 177.146 177.300 -0.122 0.000 1.184 559 P CA 0.970 64.071 63.100 0.001 0.000 0.760 559 P CB 0.172 31.884 31.700 0.020 0.000 0.884 560 N N -1.256 117.430 118.700 -0.023 0.000 2.356 560 N HA 0.003 4.735 4.740 -0.014 0.000 0.178 560 N C 0.567 176.084 175.510 0.012 0.000 1.075 560 N CA -0.087 52.951 53.050 -0.019 0.000 0.889 560 N CB 0.106 38.607 38.487 0.022 0.000 0.999 560 N HN 0.128 nan 8.380 nan 0.000 0.464 561 S N 0.351 116.066 115.700 0.024 0.000 2.617 561 S HA 0.155 4.617 4.470 -0.014 0.000 0.259 561 S C 0.088 174.631 174.600 -0.094 0.000 1.301 561 S CA -0.758 57.456 58.200 0.022 0.000 0.984 561 S CB 0.881 64.125 63.200 0.073 0.000 0.954 561 S HN 0.154 nan 8.310 nan 0.000 0.572 562 L N 1.330 122.374 121.223 -0.298 0.000 2.360 562 L HA 0.377 4.708 4.340 -0.014 0.000 0.276 562 L C -0.879 175.951 176.870 -0.067 0.000 1.121 562 L CA -0.515 53.941 54.840 -0.641 0.000 0.845 562 L CB -0.057 41.389 42.059 -1.020 0.000 1.143 562 L HN 0.691 nan 8.230 nan 0.000 0.452 563 F N 4.092 123.893 119.950 -0.248 0.000 2.423 563 F HA 0.098 4.618 4.527 -0.013 0.000 0.356 563 F C 0.427 176.147 175.800 -0.133 0.000 1.170 563 F CA -0.836 57.088 58.000 -0.125 0.000 1.163 563 F CB 0.572 39.546 39.000 -0.043 0.000 1.318 563 F HN 0.505 nan 8.300 nan 0.000 0.569 564 D N 4.843 125.237 120.400 -0.011 0.000 2.380 564 D HA 0.212 4.844 4.640 -0.014 0.000 0.230 564 D C -0.967 175.266 176.300 -0.112 0.000 1.154 564 D CA 0.075 54.023 54.000 -0.087 0.000 0.859 564 D CB 1.289 42.026 40.800 -0.105 0.000 1.045 564 D HN 0.264 nan 8.370 nan 0.000 0.495 565 V N 2.860 122.695 119.914 -0.132 0.000 2.735 565 V HA 0.559 4.671 4.120 -0.014 0.000 0.310 565 V C -1.377 174.582 176.094 -0.224 0.000 1.061 565 V CA -0.696 61.513 62.300 -0.152 0.000 0.913 565 V CB 1.979 33.758 31.823 -0.073 0.000 1.005 565 V HN 0.505 nan 8.190 nan 0.000 0.428 566 Q N 4.314 123.990 119.800 -0.207 0.000 2.394 566 Q HA 0.647 4.979 4.340 -0.014 0.000 0.261 566 Q C -1.484 174.355 176.000 -0.268 0.000 1.023 566 Q CA -0.637 55.031 55.803 -0.224 0.000 0.720 566 Q CB 1.864 30.494 28.738 -0.179 0.000 1.241 566 Q HN 1.142 nan 8.270 nan 0.000 0.483 567 V N 2.250 121.992 119.914 -0.287 0.000 2.407 567 V HA 0.838 4.950 4.120 -0.014 0.000 0.291 567 V C -0.816 174.999 176.094 -0.464 0.000 1.018 567 V CA -0.559 61.376 62.300 -0.610 0.000 0.842 567 V CB 1.194 32.386 31.823 -1.051 0.000 0.996 567 V HN 0.767 nan 8.190 nan 0.000 0.426 568 K N 2.830 123.027 120.400 -0.338 0.000 2.809 568 K HA 0.464 4.776 4.320 -0.014 0.000 0.293 568 K C -1.195 175.421 176.600 0.027 0.000 1.061 568 K CA -1.033 55.236 56.287 -0.031 0.000 0.837 568 K CB 1.096 33.570 32.500 -0.045 0.000 1.524 568 K HN 0.452 nan 8.250 nan 0.000 0.370 569 R N 0.702 121.271 120.500 0.116 0.000 2.756 569 R HA 0.179 4.511 4.340 -0.014 0.000 0.264 569 R C 0.380 176.704 176.300 0.041 0.000 1.026 569 R CA -0.305 55.867 56.100 0.121 0.000 1.121 569 R CB -0.163 30.252 30.300 0.191 0.000 0.999 569 R HN 0.483 nan 8.270 nan 0.000 0.449 570 I N 4.145 124.714 120.570 -0.001 0.000 2.396 570 I HA 0.116 4.277 4.170 -0.014 0.000 0.289 570 I C 0.774 176.774 176.117 -0.194 0.000 1.056 570 I CA 0.535 61.781 61.300 -0.090 0.000 1.365 570 I CB -0.118 37.823 38.000 -0.098 0.000 1.407 570 I HN 0.284 nan 8.210 nan 0.000 0.509 571 H N 4.190 123.154 119.070 -0.176 0.000 3.016 571 H HA 0.269 4.817 4.556 -0.014 0.000 0.362 571 H C 0.343 175.553 175.328 -0.198 0.000 1.233 571 H CA -0.473 55.504 56.048 -0.118 0.000 1.124 571 H CB 2.170 31.774 29.762 -0.263 0.000 1.850 571 H HN 0.510 nan 8.280 nan 0.000 0.549 572 E N 0.813 121.092 120.200 0.132 0.000 2.107 572 E HA -0.155 4.187 4.350 -0.014 0.000 0.191 572 E C 1.408 177.769 176.600 -0.398 0.000 0.982 572 E CA 1.009 57.415 56.400 0.009 0.000 0.809 572 E CB 0.093 30.004 29.700 0.352 0.000 0.756 572 E HN 0.520 nan 8.360 nan 0.000 0.459 573 Y N 0.744 120.512 120.300 -0.886 0.000 2.439 573 Y HA 0.028 4.569 4.550 -0.014 0.000 0.292 573 Y C 1.521 177.150 175.900 -0.453 0.000 1.130 573 Y CA 0.645 58.054 58.100 -1.151 0.000 1.254 573 Y CB 0.044 37.847 38.460 -1.095 0.000 1.000 573 Y HN -0.223 nan 8.280 nan 0.000 0.554 574 K N 1.050 120.984 120.400 -0.776 0.000 2.432 574 K HA 0.011 4.323 4.320 -0.014 0.000 0.196 574 K C 0.220 176.646 176.600 -0.291 0.000 1.038 574 K CA 0.665 56.610 56.287 -0.569 0.000 0.986 574 K CB -0.170 32.014 32.500 -0.527 0.000 0.782 574 K HN 0.408 nan 8.250 nan 0.000 0.485 575 R N 0.773 121.131 120.500 -0.237 0.000 3.333 575 R HA -0.196 4.135 4.340 -0.014 0.000 0.256 575 R C 0.642 176.863 176.300 -0.131 0.000 1.010 575 R CA 0.235 56.249 56.100 -0.144 0.000 0.680 575 R CB -1.897 28.333 30.300 -0.118 0.000 1.102 575 R HN 0.219 nan 8.270 nan 0.000 0.440 576 Q N 0.144 119.865 119.800 -0.130 0.000 2.234 576 Q HA -0.058 4.273 4.340 -0.014 0.000 0.206 576 Q C 1.810 177.761 176.000 -0.082 0.000 0.980 576 Q CA 1.423 57.163 55.803 -0.106 0.000 0.869 576 Q CB 0.045 28.724 28.738 -0.099 0.000 0.912 576 Q HN 0.602 nan 8.270 nan 0.000 0.436 577 L N -0.697 120.481 121.223 -0.075 0.000 2.093 577 L HA -0.177 4.154 4.340 -0.014 0.000 0.208 577 L C 1.957 178.828 176.870 0.001 0.000 1.085 577 L CA 0.490 55.301 54.840 -0.048 0.000 0.755 577 L CB -0.312 41.729 42.059 -0.031 0.000 0.904 577 L HN 0.312 nan 8.230 nan 0.000 0.435 578 L N 0.058 121.271 121.223 -0.017 0.000 2.046 578 L HA -0.239 4.093 4.340 -0.014 0.000 0.208 578 L C 2.027 178.928 176.870 0.052 0.000 1.077 578 L CA 1.921 56.759 54.840 -0.003 0.000 0.747 578 L CB -0.887 41.064 42.059 -0.180 0.000 0.896 578 L HN 0.290 nan 8.230 nan 0.000 0.432 579 N N -1.789 116.910 118.700 -0.001 0.000 2.104 579 N HA -0.237 4.495 4.740 -0.014 0.000 0.190 579 N C 1.975 177.562 175.510 0.129 0.000 1.024 579 N CA 1.575 54.697 53.050 0.120 0.000 0.853 579 N CB -0.129 38.371 38.487 0.021 0.000 1.008 579 N HN 0.486 nan 8.380 nan 0.000 0.424 580 C N 0.530 119.848 119.300 0.030 0.000 2.413 580 C HA -0.076 4.375 4.460 -0.014 0.000 0.276 580 C C 2.584 177.583 174.990 0.016 0.000 1.236 580 C CA 0.391 59.386 59.018 -0.038 0.000 1.735 580 C CB -1.238 26.428 27.740 -0.123 0.000 2.031 580 C HN 0.516 nan 8.230 nan 0.000 0.474 581 L N -0.234 121.058 121.223 0.115 0.000 2.042 581 L HA -0.226 4.106 4.340 -0.014 0.000 0.210 581 L C 2.725 179.764 176.870 0.281 0.000 1.076 581 L CA 1.958 56.926 54.840 0.214 0.000 0.749 581 L CB -1.143 41.130 42.059 0.357 0.000 0.893 581 L HN 0.616 nan 8.230 nan 0.000 0.432 582 H N -0.064 119.118 119.070 0.187 0.000 2.326 582 H HA -0.134 4.414 4.556 -0.014 0.000 0.301 582 H C 2.269 177.598 175.328 0.002 0.000 1.081 582 H CA 1.915 57.992 56.048 0.048 0.000 1.334 582 H CB 0.277 30.013 29.762 -0.043 0.000 1.385 582 H HN 0.081 nan 8.280 nan 0.000 0.504 583 V N 1.588 121.443 119.914 -0.097 0.000 2.282 583 V HA -0.289 3.823 4.120 -0.014 0.000 0.249 583 V C 2.871 178.906 176.094 -0.098 0.000 1.057 583 V CA 2.027 64.228 62.300 -0.166 0.000 1.032 583 V CB -0.561 31.210 31.823 -0.088 0.000 0.645 583 V HN 0.388 nan 8.190 nan 0.000 0.447 584 I N -0.369 120.183 120.570 -0.031 0.000 2.286 584 I HA -0.238 3.924 4.170 -0.014 0.000 0.248 584 I C 2.487 178.681 176.117 0.127 0.000 1.115 584 I CA 1.742 63.097 61.300 0.092 0.000 1.392 584 I CB -0.562 37.486 38.000 0.080 0.000 1.065 584 I HN 0.341 nan 8.210 nan 0.000 0.418 585 T N 1.014 115.591 114.554 0.038 0.000 2.674 585 T HA -0.158 4.184 4.350 -0.014 0.000 0.265 585 T C 1.868 176.531 174.700 -0.061 0.000 1.039 585 T CA 1.177 63.287 62.100 0.016 0.000 1.150 585 T CB -0.274 68.612 68.868 0.029 0.000 0.864 585 T HN 0.073 nan 8.240 nan 0.000 0.427 586 L N 0.261 121.368 121.223 -0.193 0.000 2.043 586 L HA -0.094 4.238 4.340 -0.014 0.000 0.212 586 L C 2.082 178.918 176.870 -0.056 0.000 1.075 586 L CA 1.659 56.383 54.840 -0.192 0.000 0.752 586 L CB -1.104 40.775 42.059 -0.300 0.000 0.891 586 L HN 0.379 nan 8.230 nan 0.000 0.432 587 Y N 0.298 120.539 120.300 -0.098 0.000 2.097 587 Y HA -0.309 4.233 4.550 -0.014 0.000 0.282 587 Y C 2.485 178.365 175.900 -0.032 0.000 1.152 587 Y CA 1.965 60.046 58.100 -0.032 0.000 1.136 587 Y CB -0.151 38.342 38.460 0.055 0.000 0.975 587 Y HN 0.285 nan 8.280 nan 0.000 0.498 588 N N 0.466 119.163 118.700 -0.005 0.000 2.149 588 N HA -0.160 4.572 4.740 -0.014 0.000 0.188 588 N C 1.818 177.230 175.510 -0.164 0.000 1.019 588 N CA 1.602 54.574 53.050 -0.130 0.000 0.857 588 N CB -0.362 38.105 38.487 -0.033 0.000 0.997 588 N HN 0.463 nan 8.380 nan 0.000 0.426 589 R N 0.361 120.787 120.500 -0.122 0.000 2.075 589 R HA 0.082 4.414 4.340 -0.014 0.000 0.232 589 R C 2.262 178.478 176.300 -0.140 0.000 1.126 589 R CA 0.734 56.765 56.100 -0.114 0.000 0.963 589 R CB -0.265 29.977 30.300 -0.096 0.000 0.858 589 R HN 0.220 nan 8.270 nan 0.000 0.435 590 I N 1.031 121.498 120.570 -0.171 0.000 2.226 590 I HA -0.269 3.893 4.170 -0.014 0.000 0.245 590 I C 1.993 177.989 176.117 -0.202 0.000 1.100 590 I CA 1.222 62.417 61.300 -0.174 0.000 1.374 590 I CB -0.120 37.775 38.000 -0.175 0.000 1.057 590 I HN 0.017 nan 8.210 nan 0.000 0.413 591 K N 0.668 120.884 120.400 -0.306 0.000 2.362 591 K HA -0.177 4.135 4.320 -0.014 0.000 0.200 591 K C 1.936 178.428 176.600 -0.179 0.000 1.046 591 K CA 0.910 57.022 56.287 -0.290 0.000 0.952 591 K CB -0.173 32.063 32.500 -0.439 0.000 0.753 591 K HN 0.166 nan 8.250 nan 0.000 0.466 592 K N 1.727 122.034 120.400 -0.154 0.000 2.128 592 K HA -0.032 4.280 4.320 -0.014 0.000 0.202 592 K C 0.126 176.677 176.600 -0.082 0.000 1.050 592 K CA 1.095 57.318 56.287 -0.107 0.000 0.966 592 K CB 0.457 32.899 32.500 -0.097 0.000 0.759 592 K HN 0.032 nan 8.250 nan 0.000 0.454 593 E N 0.830 120.981 120.200 -0.081 0.000 3.037 593 E HA 0.180 4.522 4.350 -0.014 0.000 0.220 593 E C -2.340 174.224 176.600 -0.060 0.000 1.142 593 E CA -1.744 54.621 56.400 -0.058 0.000 0.888 593 E CB 1.507 31.179 29.700 -0.046 0.000 1.329 593 E HN 0.075 nan 8.360 nan 0.000 0.409 594 P HA -0.192 nan 4.420 nan 0.000 0.215 594 P C 0.306 177.588 177.300 -0.031 0.000 1.157 594 P CA 1.365 64.432 63.100 -0.056 0.000 0.874 594 P CB 0.121 31.792 31.700 -0.047 0.000 0.790 595 N N -0.923 117.768 118.700 -0.015 0.000 2.375 595 N HA 0.019 4.750 4.740 -0.014 0.000 0.220 595 N C 0.374 175.900 175.510 0.026 0.000 1.170 595 N CA 0.072 53.127 53.050 0.008 0.000 0.833 595 N CB -0.151 38.341 38.487 0.008 0.000 1.069 595 N HN 0.099 nan 8.380 nan 0.000 0.479 596 K N 1.020 121.429 120.400 0.015 0.000 2.159 596 K HA 0.188 4.500 4.320 -0.014 0.000 0.266 596 K C -1.010 175.628 176.600 0.063 0.000 0.975 596 K CA -0.664 55.647 56.287 0.040 0.000 0.865 596 K CB 0.808 33.311 32.500 0.005 0.000 1.087 596 K HN -0.035 nan 8.250 nan 0.000 0.446 597 F N 4.533 124.470 119.950 -0.020 0.000 2.443 597 F HA 0.266 4.785 4.527 -0.014 0.000 0.353 597 F C -0.500 175.288 175.800 -0.020 0.000 1.101 597 F CA -0.052 57.938 58.000 -0.018 0.000 1.226 597 F CB 0.721 39.713 39.000 -0.013 0.000 1.140 597 F HN 0.199 nan 8.300 nan 0.000 0.557 598 V N 3.788 123.030 119.914 -1.120 0.000 2.971 598 V HA 0.502 4.614 4.120 -0.014 0.000 0.309 598 V C -0.837 174.619 176.094 -1.063 0.000 1.130 598 V CA -1.263 60.564 62.300 -0.789 0.000 0.964 598 V CB 0.891 32.480 31.823 -0.389 0.000 1.029 598 V HN 0.598 nan 8.190 nan 0.000 0.427 599 V N 4.558 124.148 119.914 -0.540 0.000 2.493 599 V HA 0.188 4.299 4.120 -0.014 0.000 0.292 599 V C -1.778 174.169 176.094 -0.246 0.000 1.016 599 V CA -0.376 61.762 62.300 -0.271 0.000 1.097 599 V CB 0.340 32.126 31.823 -0.062 0.000 0.947 599 V HN 0.901 nan 8.190 nan 0.000 0.479 600 P HA 0.367 nan 4.420 nan 0.000 0.269 600 P C -0.448 176.778 177.300 -0.124 0.000 1.209 600 P CA -0.130 62.897 63.100 -0.122 0.000 0.776 600 P CB 0.562 32.238 31.700 -0.039 0.000 0.876 601 R N 0.448 120.887 120.500 -0.101 0.000 2.668 601 R HA 0.574 4.905 4.340 -0.014 0.000 0.272 601 R C -1.003 175.269 176.300 -0.046 0.000 1.019 601 R CA -0.584 55.457 56.100 -0.099 0.000 0.894 601 R CB 1.962 32.183 30.300 -0.131 0.000 1.228 601 R HN 0.272 nan 8.270 nan 0.000 0.460 602 T N 1.994 116.540 114.554 -0.014 0.000 2.864 602 T HA 0.210 4.551 4.350 -0.014 0.000 0.310 602 T C -0.774 173.853 174.700 -0.122 0.000 1.040 602 T CA -0.551 61.506 62.100 -0.072 0.000 0.977 602 T CB 1.080 69.869 68.868 -0.131 0.000 0.976 602 T HN 0.353 nan 8.240 nan 0.000 0.459 603 V N 4.906 124.752 119.914 -0.113 0.000 2.406 603 V HA 0.674 4.786 4.120 -0.014 0.000 0.272 603 V C -0.471 175.543 176.094 -0.133 0.000 1.043 603 V CA -0.568 61.666 62.300 -0.111 0.000 0.915 603 V CB 0.644 32.421 31.823 -0.076 0.000 0.988 603 V HN 0.859 nan 8.190 nan 0.000 0.466 604 M N 7.496 127.002 119.600 -0.158 0.000 2.167 604 M HA 0.588 5.059 4.480 -0.014 0.000 0.333 604 M C -0.942 175.244 176.300 -0.191 0.000 1.030 604 M CA -0.188 55.007 55.300 -0.175 0.000 0.963 604 M CB 1.872 34.357 32.600 -0.192 0.000 1.589 604 M HN 0.541 nan 8.290 nan 0.000 0.431 605 I N 2.343 122.790 120.570 -0.204 0.000 2.418 605 I HA 0.749 4.911 4.170 -0.014 0.000 0.287 605 I C 0.144 175.948 176.117 -0.521 0.000 1.008 605 I CA -0.563 60.596 61.300 -0.236 0.000 1.104 605 I CB 2.031 39.988 38.000 -0.072 0.000 1.264 605 I HN 0.786 nan 8.210 nan 0.000 0.438 606 G N 3.273 111.722 108.800 -0.585 0.000 2.659 606 G HA2 0.844 4.796 3.960 -0.014 0.000 0.296 606 G HA3 0.844 4.796 3.960 -0.014 0.000 0.296 606 G C -0.967 173.629 174.900 -0.505 0.000 1.369 606 G CA -0.825 43.772 45.100 -0.839 0.000 0.937 606 G HN 0.935 nan 8.290 nan 0.000 0.485 607 G N -0.349 108.296 108.800 -0.258 0.000 2.347 607 G HA2 0.445 4.397 3.960 -0.014 0.000 0.303 607 G HA3 0.445 4.397 3.960 -0.014 0.000 0.303 607 G C -1.557 173.462 174.900 0.198 0.000 1.481 607 G CA -0.992 44.131 45.100 0.039 0.000 0.914 607 G HN 0.602 nan 8.290 nan 0.000 0.638 608 K N -0.285 120.228 120.400 0.188 0.000 2.123 608 K HA 0.770 5.082 4.320 -0.014 0.000 0.259 608 K C 0.112 176.830 176.600 0.197 0.000 0.960 608 K CA -0.263 56.151 56.287 0.212 0.000 0.872 608 K CB 2.011 34.546 32.500 0.058 0.000 1.079 608 K HN 0.872 nan 8.250 nan 0.000 0.440 609 A N 1.643 124.616 122.820 0.255 0.000 2.317 609 A HA 0.668 4.980 4.320 -0.014 0.000 0.327 609 A C -0.512 177.232 177.584 0.266 0.000 1.178 609 A CA -0.718 51.405 52.037 0.143 0.000 0.817 609 A CB 1.056 20.070 19.000 0.024 0.000 1.189 609 A HN 0.786 nan 8.150 nan 0.000 0.489 610 A N 3.753 126.705 122.820 0.219 0.000 2.531 610 A HA 0.464 4.776 4.320 -0.014 0.000 0.236 610 A C -1.352 176.307 177.584 0.126 0.000 1.062 610 A CA -0.739 51.439 52.037 0.235 0.000 0.760 610 A CB -0.351 18.750 19.000 0.168 0.000 0.995 610 A HN 0.605 nan 8.150 nan 0.000 0.501 611 P HA -0.147 nan 4.420 nan 0.000 0.216 611 P C 1.316 178.606 177.300 -0.017 0.000 1.150 611 P CA 2.022 65.063 63.100 -0.099 0.000 0.843 611 P CB 0.170 31.756 31.700 -0.191 0.000 0.787 612 G N -3.031 105.781 108.800 0.020 0.000 3.042 612 G HA2 -0.092 3.860 3.960 -0.014 0.000 0.212 612 G HA3 -0.092 3.860 3.960 -0.014 0.000 0.212 612 G C -0.136 174.800 174.900 0.059 0.000 1.166 612 G CA -0.143 44.972 45.100 0.024 0.000 0.767 612 G HN 0.308 nan 8.290 nan 0.000 0.546 613 Y N 1.813 122.055 120.300 -0.096 0.000 2.636 613 Y HA 0.162 4.704 4.550 -0.014 0.000 0.341 613 Y C 1.714 177.602 175.900 -0.020 0.000 1.169 613 Y CA -1.023 57.006 58.100 -0.119 0.000 1.498 613 Y CB 0.034 38.384 38.460 -0.183 0.000 1.362 613 Y HN 0.317 nan 8.280 nan 0.000 0.494 614 H N 3.679 122.863 119.070 0.190 0.000 2.265 614 H HA -0.250 4.298 4.556 -0.014 0.000 0.295 614 H C 1.875 177.230 175.328 0.045 0.000 1.084 614 H CA 2.408 58.514 56.048 0.096 0.000 1.261 614 H CB 0.336 30.150 29.762 0.086 0.000 1.360 614 H HN 0.692 nan 8.280 nan 0.000 0.487 615 M N 1.152 120.741 119.600 -0.019 0.000 2.073 615 M HA -0.151 4.320 4.480 -0.014 0.000 0.258 615 M C 2.667 178.723 176.300 -0.407 0.000 1.070 615 M CA 2.067 57.260 55.300 -0.178 0.000 1.103 615 M CB -1.102 31.531 32.600 0.054 0.000 1.321 615 M HN 0.387 nan 8.290 nan 0.000 0.405 616 A N -0.553 121.763 122.820 -0.840 0.000 1.948 616 A HA -0.241 4.071 4.320 -0.014 0.000 0.220 616 A C 2.197 179.569 177.584 -0.353 0.000 1.177 616 A CA 2.151 53.733 52.037 -0.758 0.000 0.636 616 A CB -0.750 17.585 19.000 -1.109 0.000 0.815 616 A HN 0.632 nan 8.150 nan 0.000 0.449 617 K N -1.405 118.848 120.400 -0.246 0.000 2.217 617 K HA 0.022 4.333 4.320 -0.014 0.000 0.202 617 K C 1.810 178.362 176.600 -0.080 0.000 1.051 617 K CA 0.939 57.171 56.287 -0.092 0.000 0.952 617 K CB -0.149 32.362 32.500 0.017 0.000 0.736 617 K HN 0.334 nan 8.250 nan 0.000 0.453 618 M N 0.509 120.010 119.600 -0.164 0.000 2.254 618 M HA -0.027 4.444 4.480 -0.014 0.000 0.265 618 M C 2.016 178.253 176.300 -0.104 0.000 1.066 618 M CA 1.309 56.547 55.300 -0.104 0.000 1.123 618 M CB -0.432 32.071 32.600 -0.163 0.000 1.388 618 M HN 0.106 nan 8.290 nan 0.000 0.425 619 I N -0.447 120.023 120.570 -0.166 0.000 2.315 619 I HA -0.284 3.877 4.170 -0.014 0.000 0.248 619 I C 2.248 178.229 176.117 -0.227 0.000 1.117 619 I CA 0.935 62.127 61.300 -0.181 0.000 1.404 619 I CB -0.252 37.639 38.000 -0.182 0.000 1.071 619 I HN 0.160 nan 8.210 nan 0.000 0.419 620 I N 0.766 121.180 120.570 -0.259 0.000 2.286 620 I HA -0.300 3.862 4.170 -0.014 0.000 0.248 620 I C 2.557 178.370 176.117 -0.507 0.000 1.115 620 I CA 1.232 62.276 61.300 -0.426 0.000 1.392 620 I CB -0.231 37.518 38.000 -0.419 0.000 1.065 620 I HN 0.166 nan 8.210 nan 0.000 0.418 621 K N 1.402 121.531 120.400 -0.451 0.000 2.148 621 K HA -0.117 4.195 4.320 -0.014 0.000 0.204 621 K C 1.989 178.424 176.600 -0.275 0.000 1.050 621 K CA 1.311 57.250 56.287 -0.579 0.000 0.942 621 K CB -0.430 31.458 32.500 -1.019 0.000 0.724 621 K HN 0.224 nan 8.250 nan 0.000 0.446 622 L N 0.405 121.500 121.223 -0.213 0.000 2.027 622 L HA -0.135 4.196 4.340 -0.014 0.000 0.206 622 L C 2.114 178.738 176.870 -0.410 0.000 1.074 622 L CA 1.620 56.182 54.840 -0.464 0.000 0.745 622 L CB -0.334 41.380 42.059 -0.575 0.000 0.898 622 L HN 0.237 nan 8.230 nan 0.000 0.433 623 I N 0.082 120.458 120.570 -0.323 0.000 2.118 623 I HA -0.379 3.783 4.170 -0.014 0.000 0.241 623 I C 2.631 178.618 176.117 -0.217 0.000 1.070 623 I CA 2.133 63.291 61.300 -0.237 0.000 1.327 623 I CB -0.843 37.086 38.000 -0.118 0.000 1.034 623 I HN 0.429 nan 8.210 nan 0.000 0.405 624 T N -0.620 113.776 114.554 -0.262 0.000 2.833 624 T HA -0.106 4.236 4.350 -0.014 0.000 0.269 624 T C 1.957 176.568 174.700 -0.147 0.000 1.054 624 T CA 1.011 62.992 62.100 -0.198 0.000 1.135 624 T CB -0.522 68.187 68.868 -0.265 0.000 0.869 624 T HN 0.382 nan 8.240 nan 0.000 0.466 625 A N 1.579 124.302 122.820 -0.161 0.000 1.902 625 A HA 0.116 4.428 4.320 -0.014 0.000 0.217 625 A C 2.367 179.916 177.584 -0.057 0.000 1.181 625 A CA 1.376 53.378 52.037 -0.057 0.000 0.623 625 A CB -0.839 18.192 19.000 0.050 0.000 0.818 625 A HN 0.571 nan 8.150 nan 0.000 0.443 626 I N -0.200 120.226 120.570 -0.240 0.000 2.226 626 I HA -0.207 3.955 4.170 -0.014 0.000 0.245 626 I C 2.689 178.734 176.117 -0.122 0.000 1.100 626 I CA 1.232 62.366 61.300 -0.276 0.000 1.374 626 I CB -0.530 37.205 38.000 -0.441 0.000 1.057 626 I HN 0.386 nan 8.210 nan 0.000 0.413 627 G N 0.137 108.864 108.800 -0.122 0.000 2.422 627 G HA2 -0.250 3.702 3.960 -0.014 0.000 0.218 627 G HA3 -0.250 3.702 3.960 -0.014 0.000 0.218 627 G C 1.276 176.122 174.900 -0.089 0.000 1.146 627 G CA 0.911 45.948 45.100 -0.105 0.000 0.769 627 G HN 0.277 nan 8.290 nan 0.000 0.547 628 D N 0.151 120.542 120.400 -0.014 0.000 2.123 628 D HA -0.097 4.535 4.640 -0.014 0.000 0.196 628 D C 2.756 179.129 176.300 0.121 0.000 0.992 628 D CA 0.852 54.913 54.000 0.102 0.000 0.833 628 D CB -0.353 40.492 40.800 0.076 0.000 0.954 628 D HN 0.229 nan 8.370 nan 0.000 0.455 629 V N 0.370 120.293 119.914 0.014 0.000 2.255 629 V HA -0.167 3.945 4.120 -0.014 0.000 0.243 629 V C 2.668 178.706 176.094 -0.092 0.000 1.038 629 V CA 0.926 63.185 62.300 -0.068 0.000 1.008 629 V CB -0.508 31.202 31.823 -0.188 0.000 0.645 629 V HN 0.027 nan 8.190 nan 0.000 0.449 630 V N 1.004 120.806 119.914 -0.186 0.000 2.287 630 V HA -0.247 3.865 4.120 -0.014 0.000 0.248 630 V C 2.119 178.174 176.094 -0.064 0.000 1.053 630 V CA 2.174 64.390 62.300 -0.139 0.000 1.027 630 V CB -0.925 30.808 31.823 -0.150 0.000 0.646 630 V HN 0.584 nan 8.190 nan 0.000 0.447 631 N N -0.522 118.055 118.700 -0.204 0.000 2.550 631 N HA -0.075 4.656 4.740 -0.014 0.000 0.186 631 N C 1.043 176.268 175.510 -0.476 0.000 1.110 631 N CA 0.836 53.675 53.050 -0.352 0.000 0.912 631 N CB -0.279 37.910 38.487 -0.496 0.000 0.968 631 N HN 0.711 nan 8.380 nan 0.000 0.448 632 H N -1.705 117.383 119.070 0.031 0.000 2.662 632 H HA 0.204 4.752 4.556 -0.013 0.000 0.268 632 H C -0.642 174.716 175.328 0.050 0.000 1.152 632 H CA -0.504 55.562 56.048 0.031 0.000 1.072 632 H CB 0.737 30.504 29.762 0.009 0.000 1.660 632 H HN -0.044 nan 8.280 nan 0.000 0.584 633 D N 1.653 122.142 120.400 0.149 0.000 2.347 633 D HA 0.069 4.701 4.640 -0.014 0.000 0.235 633 D C -1.682 174.685 176.300 0.112 0.000 1.149 633 D CA -2.186 51.913 54.000 0.164 0.000 0.850 633 D CB 1.770 42.742 40.800 0.286 0.000 1.061 633 D HN 0.103 nan 8.370 nan 0.000 0.487 634 P HA -0.113 nan 4.420 nan 0.000 0.218 634 P C 1.550 178.875 177.300 0.042 0.000 1.149 634 P CA 0.368 63.503 63.100 0.059 0.000 0.817 634 P CB 0.464 32.194 31.700 0.049 0.000 0.785 635 V N -0.658 119.277 119.914 0.036 0.000 2.515 635 V HA -0.155 3.957 4.120 -0.014 0.000 0.250 635 V C 2.402 178.497 176.094 0.001 0.000 1.058 635 V CA 1.437 63.742 62.300 0.007 0.000 1.064 635 V CB -0.928 30.884 31.823 -0.018 0.000 0.675 635 V HN -0.015 nan 8.190 nan 0.000 0.461 636 V N -0.191 119.739 119.914 0.027 0.000 2.453 636 V HA 0.104 4.216 4.120 -0.014 0.000 0.247 636 V C 1.778 177.884 176.094 0.020 0.000 1.048 636 V CA 1.464 63.779 62.300 0.026 0.000 1.049 636 V CB -1.152 30.730 31.823 0.099 0.000 0.672 636 V HN 0.730 nan 8.190 nan 0.000 0.457 637 G N 1.491 110.310 108.800 0.033 0.000 2.550 637 G HA2 -0.402 3.550 3.960 -0.014 0.000 0.277 637 G HA3 -0.402 3.550 3.960 -0.014 0.000 0.277 637 G C 0.250 175.169 174.900 0.032 0.000 1.190 637 G CA 0.601 45.720 45.100 0.032 0.000 0.971 637 G HN 0.730 nan 8.290 nan 0.000 0.559 638 D N -0.224 120.196 120.400 0.034 0.000 2.388 638 D HA 0.325 4.957 4.640 -0.014 0.000 0.221 638 D C 1.862 178.171 176.300 0.014 0.000 1.133 638 D CA 0.222 54.245 54.000 0.039 0.000 0.831 638 D CB 0.136 40.975 40.800 0.066 0.000 0.962 638 D HN 0.572 nan 8.370 nan 0.000 0.502 639 R N -0.584 119.910 120.500 -0.010 0.000 2.193 639 R HA 0.254 4.586 4.340 -0.014 0.000 0.213 639 R C -0.168 176.098 176.300 -0.056 0.000 1.055 639 R CA 0.350 56.418 56.100 -0.053 0.000 0.995 639 R CB 0.145 30.390 30.300 -0.091 0.000 0.893 639 R HN 0.169 nan 8.270 nan 0.000 0.459 640 L N 0.793 122.000 121.223 -0.026 0.000 2.528 640 L HA 0.379 4.711 4.340 -0.014 0.000 0.267 640 L C -1.562 175.294 176.870 -0.022 0.000 0.961 640 L CA -0.523 54.301 54.840 -0.027 0.000 0.866 640 L CB 1.636 43.691 42.059 -0.007 0.000 1.248 640 L HN -0.122 nan 8.230 nan 0.000 0.404 641 R N 4.150 124.624 120.500 -0.044 0.000 2.599 641 R HA 0.730 5.062 4.340 -0.014 0.000 0.295 641 R C -1.464 174.787 176.300 -0.081 0.000 0.963 641 R CA -0.828 55.234 56.100 -0.063 0.000 0.883 641 R CB 2.342 32.605 30.300 -0.062 0.000 1.171 641 R HN 0.380 nan 8.270 nan 0.000 0.450 642 V N 5.069 124.929 119.914 -0.089 0.000 2.350 642 V HA 0.450 4.562 4.120 -0.014 0.000 0.285 642 V C -0.144 175.905 176.094 -0.075 0.000 1.014 642 V CA -0.614 61.634 62.300 -0.087 0.000 0.831 642 V CB 1.455 33.220 31.823 -0.097 0.000 1.000 642 V HN 0.572 nan 8.190 nan 0.000 0.433 643 I N 4.830 125.356 120.570 -0.073 0.000 2.465 643 I HA 0.445 4.607 4.170 -0.014 0.000 0.291 643 I C -0.776 175.326 176.117 -0.026 0.000 1.014 643 I CA -0.401 60.868 61.300 -0.053 0.000 1.093 643 I CB 2.024 39.967 38.000 -0.094 0.000 1.267 643 I HN 0.564 nan 8.210 nan 0.000 0.431 644 F N 7.613 127.493 119.950 -0.116 0.000 2.371 644 F HA 0.440 4.959 4.527 -0.013 0.000 0.363 644 F C -0.644 175.083 175.800 -0.122 0.000 1.122 644 F CA -0.758 57.173 58.000 -0.115 0.000 1.129 644 F CB 0.593 39.530 39.000 -0.106 0.000 1.173 644 F HN 0.146 nan 8.300 nan 0.000 0.489 645 L N 5.979 126.798 121.223 -0.673 0.000 2.485 645 L HA 0.122 4.454 4.340 -0.014 0.000 0.279 645 L C 0.403 176.953 176.870 -0.532 0.000 1.124 645 L CA 0.257 54.805 54.840 -0.487 0.000 0.888 645 L CB -0.094 41.764 42.059 -0.335 0.000 1.217 645 L HN 0.622 nan 8.230 nan 0.000 0.464 646 E N 3.033 123.037 120.200 -0.326 0.000 2.383 646 E HA -0.032 4.309 4.350 -0.014 0.000 0.264 646 E C 0.545 177.162 176.600 0.028 0.000 1.050 646 E CA -0.212 56.143 56.400 -0.075 0.000 0.896 646 E CB 0.312 29.970 29.700 -0.069 0.000 0.982 646 E HN 0.519 nan 8.360 nan 0.000 0.424 647 N N 2.296 121.088 118.700 0.153 0.000 2.714 647 N HA -0.288 4.444 4.740 -0.014 0.000 0.252 647 N C -1.471 174.124 175.510 0.142 0.000 1.014 647 N CA 0.533 53.683 53.050 0.166 0.000 0.735 647 N CB -1.369 37.241 38.487 0.204 0.000 0.924 647 N HN 0.428 nan 8.380 nan 0.000 0.540 648 Y N 1.402 121.690 120.300 -0.019 0.000 2.721 648 Y HA 0.123 4.665 4.550 -0.014 0.000 0.329 648 Y C 1.098 177.002 175.900 0.008 0.000 1.211 648 Y CA 0.484 58.562 58.100 -0.038 0.000 1.512 648 Y CB 0.281 38.688 38.460 -0.089 0.000 1.249 648 Y HN 0.371 nan 8.280 nan 0.000 0.549 649 R N 2.590 122.780 120.500 -0.517 0.000 2.747 649 R HA 0.481 4.813 4.340 -0.014 0.000 0.272 649 R C -0.219 175.750 176.300 -0.552 0.000 1.032 649 R CA -0.645 55.188 56.100 -0.445 0.000 0.896 649 R CB 0.391 30.623 30.300 -0.113 0.000 1.253 649 R HN 0.356 nan 8.270 nan 0.000 0.461 650 V N 1.101 120.707 119.914 -0.514 0.000 2.231 650 V HA -0.339 3.772 4.120 -0.014 0.000 0.250 650 V C 2.599 178.564 176.094 -0.216 0.000 1.058 650 V CA 3.020 65.093 62.300 -0.378 0.000 1.022 650 V CB -0.892 30.672 31.823 -0.431 0.000 0.640 650 V HN 0.968 nan 8.190 nan 0.000 0.445 651 S N 0.012 115.607 115.700 -0.176 0.000 2.400 651 S HA -0.214 4.248 4.470 -0.014 0.000 0.232 651 S C 1.928 176.478 174.600 -0.083 0.000 1.025 651 S CA 1.871 60.001 58.200 -0.117 0.000 0.993 651 S CB -0.582 62.581 63.200 -0.061 0.000 0.808 651 S HN 0.391 nan 8.310 nan 0.000 0.478 652 L N 2.074 123.254 121.223 -0.072 0.000 2.109 652 L HA 0.330 4.662 4.340 -0.014 0.000 0.207 652 L C 2.688 179.554 176.870 -0.006 0.000 1.086 652 L CA 1.418 56.253 54.840 -0.009 0.000 0.760 652 L CB -1.523 40.584 42.059 0.080 0.000 0.910 652 L HN 0.346 nan 8.230 nan 0.000 0.437 653 A N -0.491 122.303 122.820 -0.043 0.000 1.908 653 A HA -0.257 4.055 4.320 -0.014 0.000 0.218 653 A C 2.106 179.727 177.584 0.062 0.000 1.181 653 A CA 1.907 53.993 52.037 0.082 0.000 0.627 653 A CB -0.710 18.321 19.000 0.052 0.000 0.818 653 A HN 0.608 nan 8.150 nan 0.000 0.445 654 E N -0.500 119.723 120.200 0.039 0.000 2.331 654 E HA -0.177 4.164 4.350 -0.014 0.000 0.199 654 E C 1.819 178.376 176.600 -0.071 0.000 1.008 654 E CA 1.206 57.593 56.400 -0.021 0.000 0.843 654 E CB -0.062 29.544 29.700 -0.156 0.000 0.761 654 E HN 0.644 nan 8.360 nan 0.000 0.507 655 K N -0.166 120.169 120.400 -0.108 0.000 2.190 655 K HA -0.013 4.299 4.320 -0.014 0.000 0.202 655 K C 2.209 178.596 176.600 -0.355 0.000 1.045 655 K CA 0.844 57.044 56.287 -0.146 0.000 0.976 655 K CB 0.335 32.748 32.500 -0.144 0.000 0.849 655 K HN -0.007 nan 8.250 nan 0.000 0.468 656 V N 0.881 120.494 119.914 -0.502 0.000 2.283 656 V HA -0.177 3.935 4.120 -0.014 0.000 0.243 656 V C 2.219 178.054 176.094 -0.433 0.000 1.039 656 V CA 1.247 63.072 62.300 -0.792 0.000 1.016 656 V CB -0.838 30.645 31.823 -0.566 0.000 0.650 656 V HN 0.175 nan 8.190 nan 0.000 0.449 657 I N 1.042 121.388 120.570 -0.372 0.000 2.113 657 I HA -0.198 3.963 4.170 -0.014 0.000 0.242 657 I C -0.004 175.974 176.117 -0.231 0.000 1.064 657 I CA 2.134 63.134 61.300 -0.501 0.000 1.320 657 I CB -1.849 35.769 38.000 -0.638 0.000 1.028 657 I HN 0.367 nan 8.210 nan 0.000 0.406 658 P HA -0.104 nan 4.420 nan 0.000 0.222 658 P C 0.818 178.109 177.300 -0.014 0.000 1.147 658 P CA 1.307 64.375 63.100 -0.054 0.000 0.790 658 P CB 0.026 31.704 31.700 -0.035 0.000 0.780 659 A N -1.468 121.325 122.820 -0.045 0.000 2.387 659 A HA 0.556 4.868 4.320 -0.014 0.000 0.234 659 A C 0.999 178.696 177.584 0.187 0.000 1.253 659 A CA -0.056 52.019 52.037 0.063 0.000 0.894 659 A CB -0.506 18.539 19.000 0.074 0.000 0.963 659 A HN 0.181 nan 8.150 nan 0.000 0.508 660 A N -0.335 122.579 122.820 0.157 0.000 2.310 660 A HA 0.547 4.859 4.320 -0.014 0.000 0.299 660 A C 0.259 177.991 177.584 0.247 0.000 1.147 660 A CA -0.344 51.851 52.037 0.264 0.000 0.818 660 A CB 0.523 19.776 19.000 0.423 0.000 1.096 660 A HN 0.238 nan 8.150 nan 0.000 0.495 661 D N 0.625 121.161 120.400 0.227 0.000 2.490 661 D HA 0.119 4.751 4.640 -0.014 0.000 0.244 661 D C 0.071 176.544 176.300 0.288 0.000 0.979 661 D CA 0.739 54.906 54.000 0.278 0.000 0.924 661 D CB 0.254 41.131 40.800 0.128 0.000 1.075 661 D HN 0.367 nan 8.370 nan 0.000 0.488 662 L N 1.280 122.567 121.223 0.107 0.000 2.333 662 L HA 0.287 4.619 4.340 -0.014 0.000 0.280 662 L C -0.594 176.139 176.870 -0.229 0.000 1.004 662 L CA -0.297 54.529 54.840 -0.023 0.000 0.820 662 L CB 1.954 43.968 42.059 -0.076 0.000 1.247 662 L HN -0.133 nan 8.230 nan 0.000 0.416 663 S N 4.422 119.894 115.700 -0.379 0.000 2.437 663 S HA 0.354 4.816 4.470 -0.014 0.000 0.305 663 S C -0.473 173.834 174.600 -0.488 0.000 1.109 663 S CA -0.709 57.007 58.200 -0.807 0.000 1.099 663 S CB 0.910 63.517 63.200 -0.988 0.000 1.004 663 S HN 0.567 nan 8.310 nan 0.000 0.475 664 E N 3.983 123.914 120.200 -0.449 0.000 2.081 664 E HA 0.229 4.570 4.350 -0.014 0.000 0.281 664 E C -0.590 175.897 176.600 -0.188 0.000 0.986 664 E CA -0.491 55.776 56.400 -0.221 0.000 0.796 664 E CB 1.133 30.737 29.700 -0.161 0.000 1.085 664 E HN 0.607 nan 8.360 nan 0.000 0.398 665 Q N 2.832 122.575 119.800 -0.094 0.000 2.943 665 Q HA 0.250 4.581 4.340 -0.014 0.000 0.327 665 Q C 0.579 176.563 176.000 -0.026 0.000 0.937 665 Q CA -0.135 55.626 55.803 -0.070 0.000 0.914 665 Q CB 0.268 28.977 28.738 -0.047 0.000 1.339 665 Q HN 0.618 nan 8.270 nan 0.000 0.417 666 I N -1.254 119.292 120.570 -0.040 0.000 3.555 666 I HA 0.277 4.439 4.170 -0.014 0.000 0.343 666 I C 0.153 176.218 176.117 -0.087 0.000 1.426 666 I CA -0.511 60.773 61.300 -0.026 0.000 1.157 666 I CB 0.033 38.019 38.000 -0.024 0.000 1.526 666 I HN -0.029 nan 8.210 nan 0.000 0.461 667 S N 0.614 116.264 115.700 -0.084 0.000 2.603 667 S HA 0.298 4.760 4.470 -0.014 0.000 0.268 667 S C 0.496 175.075 174.600 -0.035 0.000 1.317 667 S CA -0.387 57.780 58.200 -0.055 0.000 1.012 667 S CB 0.892 64.108 63.200 0.026 0.000 0.926 667 S HN 0.421 nan 8.310 nan 0.000 0.539 668 T N 2.638 117.203 114.554 0.018 0.000 2.867 668 T HA 0.395 4.736 4.350 -0.014 0.000 0.297 668 T C 0.729 175.436 174.700 0.013 0.000 0.989 668 T CA 0.205 62.324 62.100 0.032 0.000 1.159 668 T CB -0.013 68.944 68.868 0.149 0.000 0.928 668 T HN 0.998 nan 8.240 nan 0.000 0.538 669 A N 2.870 125.669 122.820 -0.035 0.000 2.591 669 A HA 0.423 4.735 4.320 -0.014 0.000 0.244 669 A C 1.664 179.239 177.584 -0.015 0.000 1.031 669 A CA 0.376 52.388 52.037 -0.042 0.000 0.767 669 A CB -0.922 18.043 19.000 -0.059 0.000 0.942 669 A HN 1.701 nan 8.150 nan 0.000 0.514 670 G N 1.422 110.211 108.800 -0.017 0.000 2.175 670 G HA2 -0.251 3.701 3.960 -0.014 0.000 0.244 670 G HA3 -0.251 3.701 3.960 -0.014 0.000 0.244 670 G C 0.929 175.815 174.900 -0.022 0.000 0.982 670 G CA 1.144 46.236 45.100 -0.014 0.000 0.641 670 G HN 2.045 nan 8.290 nan 0.000 0.527 671 T N -2.417 112.120 114.554 -0.028 0.000 3.034 671 T HA 0.395 4.736 4.350 -0.014 0.000 0.248 671 T C 0.789 175.341 174.700 -0.246 0.000 1.040 671 T CA 1.117 63.135 62.100 -0.136 0.000 1.107 671 T CB 0.526 69.343 68.868 -0.084 0.000 0.932 671 T HN 0.296 nan 8.240 nan 0.000 0.474 672 E N 1.456 121.632 120.200 -0.040 0.000 2.001 672 E HA 0.664 5.006 4.350 -0.014 0.000 0.279 672 E C 1.258 177.814 176.600 -0.074 0.000 1.045 672 E CA 0.082 56.499 56.400 0.029 0.000 0.833 672 E CB 0.632 30.411 29.700 0.132 0.000 1.077 672 E HN 0.338 nan 8.360 nan 0.000 0.397 673 A N 3.450 126.156 122.820 -0.191 0.000 1.929 673 A HA -0.300 4.012 4.320 -0.014 0.000 0.221 673 A C 1.978 179.436 177.584 -0.209 0.000 1.211 673 A CA 2.597 54.396 52.037 -0.396 0.000 0.657 673 A CB -0.358 18.258 19.000 -0.641 0.000 0.827 673 A HN 0.644 nan 8.150 nan 0.000 0.462 674 S N -4.533 111.103 115.700 -0.107 0.000 4.696 674 S HA 0.441 4.903 4.470 -0.014 0.000 0.185 674 S C 0.695 175.277 174.600 -0.030 0.000 1.139 674 S CA 1.346 59.521 58.200 -0.041 0.000 1.227 674 S CB -0.250 62.943 63.200 -0.013 0.000 1.682 674 S HN 2.421 nan 8.310 nan 0.000 0.551 675 G N 0.252 109.041 108.800 -0.018 0.000 2.705 675 G HA2 0.017 3.969 3.960 -0.014 0.000 0.686 675 G HA3 0.017 3.969 3.960 -0.014 0.000 0.686 675 G C 0.226 175.100 174.900 -0.043 0.000 1.285 675 G CA 0.430 45.518 45.100 -0.020 0.000 0.800 675 G HN 1.438 nan 8.290 nan 0.000 0.611 676 T N -2.074 112.442 114.554 -0.062 0.000 3.029 676 T HA 0.382 4.724 4.350 -0.014 0.000 0.256 676 T C 2.332 176.927 174.700 -0.174 0.000 0.914 676 T CA 1.226 63.258 62.100 -0.114 0.000 0.880 676 T CB 0.331 69.127 68.868 -0.120 0.000 1.246 676 T HN 1.870 nan 8.240 nan 0.000 0.523 677 G N 3.188 111.918 108.800 -0.117 0.000 2.418 677 G HA2 -0.253 3.699 3.960 -0.014 0.000 0.217 677 G HA3 -0.253 3.699 3.960 -0.014 0.000 0.217 677 G C 1.456 176.402 174.900 0.078 0.000 1.158 677 G CA 1.175 46.228 45.100 -0.078 0.000 0.771 677 G HN 0.810 nan 8.290 nan 0.000 0.545 678 N N 0.374 119.101 118.700 0.045 0.000 2.061 678 N HA -0.204 4.528 4.740 -0.014 0.000 0.193 678 N C 2.246 177.764 175.510 0.015 0.000 1.030 678 N CA 1.592 54.670 53.050 0.046 0.000 0.856 678 N CB -0.417 38.047 38.487 -0.038 0.000 1.023 678 N HN 0.350 nan 8.380 nan 0.000 0.424 679 M N 0.828 120.363 119.600 -0.109 0.000 2.117 679 M HA -0.062 4.409 4.480 -0.014 0.000 0.262 679 M C 2.075 178.329 176.300 -0.077 0.000 1.065 679 M CA 1.554 56.773 55.300 -0.135 0.000 1.114 679 M CB -0.215 32.292 32.600 -0.156 0.000 1.361 679 M HN 0.114 nan 8.290 nan 0.000 0.408 680 K N 0.122 120.409 120.400 -0.189 0.000 2.063 680 K HA -0.135 4.177 4.320 -0.014 0.000 0.208 680 K C 1.686 178.184 176.600 -0.170 0.000 1.048 680 K CA 1.495 57.608 56.287 -0.290 0.000 0.928 680 K CB -0.297 31.816 32.500 -0.645 0.000 0.713 680 K HN 0.165 nan 8.250 nan 0.000 0.442 681 F N 0.860 120.742 119.950 -0.114 0.000 2.186 681 F HA -0.099 4.419 4.527 -0.014 0.000 0.299 681 F C 2.532 178.307 175.800 -0.041 0.000 1.090 681 F CA 1.100 59.057 58.000 -0.071 0.000 1.307 681 F CB -0.261 38.687 39.000 -0.088 0.000 1.019 681 F HN -0.001 nan 8.300 nan 0.000 0.489 682 M N -0.339 119.353 119.600 0.153 0.000 2.117 682 M HA -0.195 4.277 4.480 -0.014 0.000 0.262 682 M C 2.043 178.404 176.300 0.101 0.000 1.065 682 M CA 1.633 56.995 55.300 0.103 0.000 1.114 682 M CB -0.228 32.434 32.600 0.103 0.000 1.361 682 M HN 0.272 nan 8.290 nan 0.000 0.408 683 L N 0.619 121.900 121.223 0.096 0.000 2.376 683 L HA -0.018 4.314 4.340 -0.014 0.000 0.219 683 L C 1.115 178.033 176.870 0.079 0.000 1.133 683 L CA 1.372 56.272 54.840 0.100 0.000 0.816 683 L CB -0.454 41.674 42.059 0.116 0.000 0.933 683 L HN 0.323 nan 8.230 nan 0.000 0.449 684 N N 0.116 118.854 118.700 0.064 0.000 2.238 684 N HA 0.186 4.918 4.740 -0.014 0.000 0.222 684 N C 0.732 176.279 175.510 0.062 0.000 1.133 684 N CA 0.748 53.828 53.050 0.050 0.000 0.854 684 N CB 0.526 39.019 38.487 0.009 0.000 1.041 684 N HN 0.357 nan 8.380 nan 0.000 0.510 685 G N 0.717 109.558 108.800 0.069 0.000 2.212 685 G HA2 -0.189 3.763 3.960 -0.014 0.000 0.255 685 G HA3 -0.189 3.763 3.960 -0.014 0.000 0.255 685 G C -0.075 174.893 174.900 0.114 0.000 1.062 685 G CA 0.265 45.407 45.100 0.070 0.000 0.815 685 G HN 0.527 nan 8.290 nan 0.000 0.497 686 A N -0.720 122.173 122.820 0.122 0.000 2.356 686 A HA 0.913 5.225 4.320 -0.014 0.000 0.323 686 A C -0.373 177.217 177.584 0.010 0.000 1.119 686 A CA -0.766 51.361 52.037 0.150 0.000 0.790 686 A CB 1.570 20.728 19.000 0.263 0.000 1.273 686 A HN 0.804 nan 8.150 nan 0.000 0.452 687 L N 0.720 121.918 121.223 -0.042 0.000 2.343 687 L HA 0.570 4.902 4.340 -0.014 0.000 0.275 687 L C 0.397 177.134 176.870 -0.221 0.000 1.056 687 L CA 0.369 55.083 54.840 -0.210 0.000 0.804 687 L CB 1.696 43.542 42.059 -0.355 0.000 1.203 687 L HN 0.732 nan 8.230 nan 0.000 0.440 688 T N 4.388 118.686 114.554 -0.427 0.000 2.749 688 T HA 0.496 4.838 4.350 -0.014 0.000 0.287 688 T C -0.158 174.406 174.700 -0.225 0.000 0.970 688 T CA -0.124 61.704 62.100 -0.452 0.000 0.980 688 T CB 0.676 69.089 68.868 -0.759 0.000 0.924 688 T HN 0.429 nan 8.240 nan 0.000 0.456 689 I N 3.245 123.776 120.570 -0.066 0.000 2.330 689 I HA 0.703 4.865 4.170 -0.014 0.000 0.289 689 I C 0.149 176.421 176.117 0.258 0.000 1.001 689 I CA 0.102 61.482 61.300 0.134 0.000 1.193 689 I CB 0.204 38.199 38.000 -0.009 0.000 1.345 689 I HN 0.782 nan 8.210 nan 0.000 0.461 690 G N 3.997 113.029 108.800 0.385 0.000 2.550 690 G HA2 0.447 4.399 3.960 -0.014 0.000 0.293 690 G HA3 0.447 4.399 3.960 -0.014 0.000 0.293 690 G C -0.942 173.879 174.900 -0.131 0.000 1.402 690 G CA -0.313 44.925 45.100 0.230 0.000 0.784 690 G HN 0.566 nan 8.290 nan 0.000 0.482 691 T N -1.696 112.653 114.554 -0.342 0.000 2.902 691 T HA 0.530 4.872 4.350 -0.014 0.000 0.280 691 T C 0.665 175.246 174.700 -0.198 0.000 0.992 691 T CA -0.704 61.121 62.100 -0.458 0.000 1.015 691 T CB 1.243 69.844 68.868 -0.445 0.000 1.044 691 T HN 0.258 nan 8.240 nan 0.000 0.520 692 M N 2.976 122.470 119.600 -0.176 0.000 3.442 692 M HA 0.323 4.795 4.480 -0.014 0.000 0.232 692 M C -0.424 175.822 176.300 -0.092 0.000 1.508 692 M CA -0.045 55.187 55.300 -0.113 0.000 1.647 692 M CB -1.910 30.632 32.600 -0.097 0.000 1.126 692 M HN 0.735 nan 8.290 nan 0.000 0.557 693 D N -0.147 120.204 120.400 -0.080 0.000 2.601 693 D HA 0.681 5.312 4.640 -0.014 0.000 0.230 693 D C 0.769 177.044 176.300 -0.041 0.000 1.106 693 D CA 0.681 54.648 54.000 -0.054 0.000 0.873 693 D CB 1.713 42.482 40.800 -0.051 0.000 1.515 693 D HN 0.580 nan 8.370 nan 0.000 0.468 694 G N 1.608 110.394 108.800 -0.024 0.000 2.632 694 G HA2 -0.269 3.682 3.960 -0.014 0.000 0.322 694 G HA3 -0.269 3.682 3.960 -0.014 0.000 0.322 694 G C 1.028 175.915 174.900 -0.021 0.000 1.326 694 G CA 1.128 46.218 45.100 -0.017 0.000 0.986 694 G HN 1.050 nan 8.290 nan 0.000 0.541 695 A N -0.271 122.528 122.820 -0.035 0.000 2.209 695 A HA 0.106 4.418 4.320 -0.014 0.000 0.212 695 A C 2.092 179.602 177.584 -0.123 0.000 1.158 695 A CA 1.817 53.822 52.037 -0.054 0.000 0.742 695 A CB -0.449 18.495 19.000 -0.093 0.000 0.790 695 A HN 0.597 nan 8.150 nan 0.000 0.472 696 N N 0.388 119.028 118.700 -0.101 0.000 2.149 696 N HA -0.142 4.590 4.740 -0.014 0.000 0.188 696 N C 1.581 176.965 175.510 -0.210 0.000 1.019 696 N CA 1.569 54.554 53.050 -0.110 0.000 0.857 696 N CB -0.541 37.926 38.487 -0.034 0.000 0.997 696 N HN 0.279 nan 8.380 nan 0.000 0.426 697 V N 1.249 121.081 119.914 -0.137 0.000 2.343 697 V HA -0.206 3.906 4.120 -0.014 0.000 0.247 697 V C 1.889 177.910 176.094 -0.122 0.000 1.051 697 V CA 1.658 63.876 62.300 -0.136 0.000 1.036 697 V CB -0.477 31.301 31.823 -0.076 0.000 0.654 697 V HN 0.361 nan 8.190 nan 0.000 0.451 698 E N -0.657 119.525 120.200 -0.030 0.000 2.208 698 E HA -0.113 4.229 4.350 -0.014 0.000 0.193 698 E C 2.169 178.886 176.600 0.194 0.000 0.988 698 E CA 0.949 57.408 56.400 0.099 0.000 0.828 698 E CB -0.142 29.701 29.700 0.237 0.000 0.763 698 E HN 0.562 nan 8.360 nan 0.000 0.478 699 M N 0.245 119.847 119.600 0.003 0.000 2.156 699 M HA -0.057 4.414 4.480 -0.014 0.000 0.264 699 M C 2.455 178.544 176.300 -0.351 0.000 1.067 699 M CA 1.313 56.582 55.300 -0.051 0.000 1.131 699 M CB -0.050 32.408 32.600 -0.237 0.000 1.368 699 M HN 0.120 nan 8.290 nan 0.000 0.416 700 A N 0.113 122.430 122.820 -0.838 0.000 1.930 700 A HA -0.205 4.107 4.320 -0.014 0.000 0.217 700 A C 1.983 179.369 177.584 -0.329 0.000 1.175 700 A CA 1.894 53.378 52.037 -0.922 0.000 0.627 700 A CB -0.783 17.698 19.000 -0.865 0.000 0.815 700 A HN 0.586 nan 8.150 nan 0.000 0.443 701 E N -0.372 119.702 120.200 -0.211 0.000 2.153 701 E HA -0.207 4.135 4.350 -0.014 0.000 0.194 701 E C 1.650 178.218 176.600 -0.053 0.000 0.988 701 E CA 1.246 57.586 56.400 -0.101 0.000 0.811 701 E CB -0.063 29.598 29.700 -0.066 0.000 0.746 701 E HN 0.562 nan 8.360 nan 0.000 0.466 702 E N -0.168 120.024 120.200 -0.014 0.000 2.158 702 E HA -0.051 4.291 4.350 -0.014 0.000 0.191 702 E C 1.660 178.279 176.600 0.033 0.000 0.982 702 E CA 0.965 57.378 56.400 0.021 0.000 0.823 702 E CB 0.191 29.939 29.700 0.080 0.000 0.766 702 E HN 0.357 nan 8.360 nan 0.000 0.468 703 A N 0.391 123.237 122.820 0.045 0.000 2.220 703 A HA 0.406 4.718 4.320 -0.014 0.000 0.211 703 A C 0.942 178.548 177.584 0.037 0.000 1.176 703 A CA 0.828 52.911 52.037 0.077 0.000 0.834 703 A CB 0.238 19.350 19.000 0.187 0.000 0.868 703 A HN 0.188 nan 8.150 nan 0.000 0.488 704 G N -0.231 108.563 108.800 -0.010 0.000 3.190 704 G HA2 -0.116 3.835 3.960 -0.014 0.000 0.686 704 G HA3 -0.116 3.835 3.960 -0.014 0.000 0.686 704 G C -0.020 174.867 174.900 -0.021 0.000 1.033 704 G CA -0.007 45.080 45.100 -0.022 0.000 0.797 704 G HN 0.277 nan 8.290 nan 0.000 0.567 705 E N 0.917 121.090 120.200 -0.045 0.000 2.267 705 E HA -0.147 4.194 4.350 -0.014 0.000 0.197 705 E C 2.052 178.640 176.600 -0.020 0.000 0.998 705 E CA 1.706 58.086 56.400 -0.032 0.000 0.830 705 E CB 0.078 29.752 29.700 -0.042 0.000 0.751 705 E HN 0.802 nan 8.360 nan 0.000 0.491 706 E N 0.498 120.674 120.200 -0.041 0.000 2.274 706 E HA -0.078 4.264 4.350 -0.014 0.000 0.194 706 E C 0.965 177.479 176.600 -0.143 0.000 0.996 706 E CA 0.644 56.996 56.400 -0.080 0.000 0.840 706 E CB 0.060 29.725 29.700 -0.058 0.000 0.772 706 E HN 0.166 nan 8.360 nan 0.000 0.491 707 N N -0.317 118.330 118.700 -0.088 0.000 2.251 707 N HA 0.136 4.868 4.740 -0.014 0.000 0.217 707 N C -0.898 174.537 175.510 -0.125 0.000 1.124 707 N CA 0.111 53.082 53.050 -0.132 0.000 0.843 707 N CB 0.443 38.908 38.487 -0.037 0.000 1.024 707 N HN 0.045 nan 8.380 nan 0.000 0.501 708 F N -0.388 119.362 119.950 -0.332 0.000 2.588 708 F HA 0.415 4.934 4.527 -0.015 0.000 0.314 708 F C -0.763 174.832 175.800 -0.342 0.000 1.069 708 F CA -1.080 56.768 58.000 -0.253 0.000 0.931 708 F CB 1.407 40.343 39.000 -0.107 0.000 1.260 708 F HN -0.224 nan 8.300 nan 0.000 0.465 709 F N 4.893 124.865 119.950 0.037 0.000 2.344 709 F HA 0.430 4.949 4.527 -0.013 0.000 0.344 709 F C -0.396 175.545 175.800 0.235 0.000 1.140 709 F CA -0.463 57.591 58.000 0.089 0.000 1.256 709 F CB -0.002 38.994 39.000 -0.007 0.000 1.573 709 F HN 0.046 nan 8.300 nan 0.000 0.547 710 I N 3.391 124.173 120.570 0.353 0.000 2.440 710 I HA 0.402 4.564 4.170 -0.014 0.000 0.294 710 I C -0.093 176.204 176.117 0.299 0.000 0.995 710 I CA -0.387 61.074 61.300 0.268 0.000 1.306 710 I CB 0.633 38.710 38.000 0.128 0.000 1.407 710 I HN 0.359 nan 8.210 nan 0.000 0.501 711 F N 2.992 123.011 119.950 0.116 0.000 2.789 711 F HA 0.916 5.434 4.527 -0.014 0.000 0.319 711 F C 0.133 175.978 175.800 0.076 0.000 1.168 711 F CA -0.606 57.453 58.000 0.099 0.000 0.934 711 F CB 0.619 39.694 39.000 0.124 0.000 1.375 711 F HN 0.844 nan 8.300 nan 0.000 0.480 712 G N 0.865 109.746 108.800 0.135 0.000 2.855 712 G HA2 -0.137 3.815 3.960 -0.014 0.000 0.352 712 G HA3 -0.137 3.815 3.960 -0.014 0.000 0.352 712 G C -0.766 174.108 174.900 -0.044 0.000 1.415 712 G CA -0.448 44.655 45.100 0.005 0.000 0.871 712 G HN 0.956 nan 8.290 nan 0.000 0.543 713 M N 0.681 120.267 119.600 -0.023 0.000 2.252 713 M HA 0.275 4.747 4.480 -0.014 0.000 0.333 713 M C 1.207 177.475 176.300 -0.053 0.000 1.111 713 M CA 0.108 55.400 55.300 -0.013 0.000 1.140 713 M CB 0.374 32.975 32.600 0.002 0.000 1.538 713 M HN 0.555 nan 8.290 nan 0.000 0.448 714 R N 1.342 121.823 120.500 -0.031 0.000 2.608 714 R HA 0.334 4.666 4.340 -0.014 0.000 0.255 714 R C 1.145 177.427 176.300 -0.032 0.000 1.086 714 R CA -0.685 55.390 56.100 -0.042 0.000 1.125 714 R CB -0.080 30.202 30.300 -0.030 0.000 1.193 714 R HN 0.564 nan 8.270 nan 0.000 0.553 715 V N 1.870 121.764 119.914 -0.034 0.000 2.324 715 V HA -0.271 3.841 4.120 -0.014 0.000 0.250 715 V C 2.156 178.239 176.094 -0.018 0.000 1.060 715 V CA 2.172 64.456 62.300 -0.027 0.000 1.042 715 V CB -0.478 31.326 31.823 -0.031 0.000 0.650 715 V HN 0.651 nan 8.190 nan 0.000 0.450 716 E N -0.009 120.182 120.200 -0.015 0.000 2.085 716 E HA -0.248 4.094 4.350 -0.014 0.000 0.194 716 E C 1.795 178.399 176.600 0.006 0.000 0.994 716 E CA 1.567 57.964 56.400 -0.006 0.000 0.801 716 E CB -0.786 28.911 29.700 -0.004 0.000 0.743 716 E HN 0.630 nan 8.360 nan 0.000 0.453 717 D N 1.125 121.532 120.400 0.011 0.000 2.144 717 D HA -0.093 4.539 4.640 -0.014 0.000 0.199 717 D C 2.210 178.528 176.300 0.030 0.000 0.984 717 D CA 1.094 55.111 54.000 0.029 0.000 0.834 717 D CB 0.028 40.849 40.800 0.034 0.000 0.955 717 D HN 0.065 nan 8.370 nan 0.000 0.465 718 V N 1.952 121.871 119.914 0.009 0.000 2.295 718 V HA -0.214 3.897 4.120 -0.014 0.000 0.246 718 V C 2.023 178.121 176.094 0.006 0.000 1.049 718 V CA 1.717 64.016 62.300 -0.002 0.000 1.024 718 V CB -0.405 31.407 31.823 -0.020 0.000 0.648 718 V HN 0.049 nan 8.190 nan 0.000 0.447 719 D N -0.319 120.083 120.400 0.003 0.000 2.117 719 D HA -0.157 4.475 4.640 -0.014 0.000 0.197 719 D C 2.343 178.656 176.300 0.022 0.000 0.987 719 D CA 1.184 55.188 54.000 0.006 0.000 0.829 719 D CB -0.253 40.546 40.800 -0.002 0.000 0.961 719 D HN 0.305 nan 8.370 nan 0.000 0.460 720 R N 0.296 120.814 120.500 0.029 0.000 2.096 720 R HA -0.073 4.259 4.340 -0.014 0.000 0.240 720 R C 2.488 178.824 176.300 0.061 0.000 1.139 720 R CA 0.720 56.845 56.100 0.041 0.000 0.952 720 R CB -0.430 29.896 30.300 0.045 0.000 0.854 720 R HN 0.175 nan 8.270 nan 0.000 0.436 721 L N 0.496 121.766 121.223 0.078 0.000 2.131 721 L HA -0.220 4.112 4.340 -0.014 0.000 0.210 721 L C 1.340 178.279 176.870 0.115 0.000 1.092 721 L CA 1.434 56.347 54.840 0.122 0.000 0.759 721 L CB -0.281 41.868 42.059 0.150 0.000 0.903 721 L HN 0.293 nan 8.230 nan 0.000 0.435 722 D N -0.975 119.467 120.400 0.070 0.000 2.183 722 D HA -0.145 4.487 4.640 -0.014 0.000 0.203 722 D C 2.289 178.621 176.300 0.053 0.000 0.969 722 D CA 0.677 54.711 54.000 0.057 0.000 0.842 722 D CB 0.111 40.923 40.800 0.021 0.000 0.957 722 D HN 0.367 nan 8.370 nan 0.000 0.484 723 Q N 0.557 120.384 119.800 0.046 0.000 1.993 723 Q HA -0.098 4.234 4.340 -0.014 0.000 0.202 723 Q C 2.275 178.303 176.000 0.047 0.000 0.984 723 Q CA 0.818 56.644 55.803 0.038 0.000 0.837 723 Q CB -0.457 28.300 28.738 0.032 0.000 0.902 723 Q HN 0.287 nan 8.270 nan 0.000 0.423 724 R N 0.302 120.837 120.500 0.058 0.000 2.096 724 R HA -0.084 4.247 4.340 -0.014 0.000 0.240 724 R C 0.246 176.588 176.300 0.070 0.000 1.139 724 R CA 1.309 57.447 56.100 0.063 0.000 0.952 724 R CB -0.195 30.151 30.300 0.077 0.000 0.854 724 R HN 0.431 nan 8.270 nan 0.000 0.436 725 G N -0.719 108.139 108.800 0.097 0.000 3.226 725 G HA2 -0.220 3.732 3.960 -0.014 0.000 0.685 725 G HA3 -0.220 3.732 3.960 -0.014 0.000 0.685 725 G C -1.470 173.530 174.900 0.166 0.000 1.207 725 G CA -0.482 44.684 45.100 0.109 0.000 0.877 725 G HN 0.299 nan 8.290 nan 0.000 0.585 726 Y N 3.832 124.168 120.300 0.061 0.000 2.404 726 Y HA 0.594 5.136 4.550 -0.014 0.000 0.344 726 Y C 0.291 176.251 175.900 0.100 0.000 0.995 726 Y CA -0.946 57.208 58.100 0.090 0.000 1.201 726 Y CB 0.966 39.456 38.460 0.050 0.000 1.151 726 Y HN 0.569 nan 8.280 nan 0.000 0.517 727 N N 5.146 123.608 118.700 -0.396 0.000 2.524 727 N HA 0.280 5.011 4.740 -0.014 0.000 0.261 727 N C 0.115 175.369 175.510 -0.427 0.000 0.998 727 N CA 0.305 53.151 53.050 -0.340 0.000 0.915 727 N CB 1.664 40.083 38.487 -0.114 0.000 1.187 727 N HN 0.887 nan 8.380 nan 0.000 0.507 728 A N 3.181 125.690 122.820 -0.519 0.000 1.972 728 A HA -0.201 4.111 4.320 -0.014 0.000 0.219 728 A C 1.937 179.667 177.584 0.244 0.000 1.169 728 A CA 1.338 53.326 52.037 -0.081 0.000 0.635 728 A CB -0.323 18.611 19.000 -0.109 0.000 0.810 728 A HN 0.762 nan 8.150 nan 0.000 0.446 729 Q N 0.207 120.040 119.800 0.056 0.000 2.112 729 Q HA -0.243 4.089 4.340 -0.014 0.000 0.206 729 Q C 1.885 177.956 176.000 0.117 0.000 0.987 729 Q CA 2.310 58.157 55.803 0.073 0.000 0.858 729 Q CB -0.344 28.392 28.738 -0.003 0.000 0.905 729 Q HN 0.762 nan 8.270 nan 0.000 0.420 730 E N -1.269 118.945 120.200 0.023 0.000 2.065 730 E HA -0.258 4.084 4.350 -0.014 0.000 0.201 730 E C 1.733 178.256 176.600 -0.130 0.000 1.016 730 E CA 1.747 58.082 56.400 -0.109 0.000 0.818 730 E CB -0.264 29.268 29.700 -0.280 0.000 0.749 730 E HN 0.573 nan 8.360 nan 0.000 0.453 731 Y N -1.215 119.120 120.300 0.058 0.000 2.224 731 Y HA -0.232 4.309 4.550 -0.014 0.000 0.289 731 Y C 2.178 178.030 175.900 -0.081 0.000 1.146 731 Y CA 1.536 59.649 58.100 0.021 0.000 1.182 731 Y CB -0.574 37.942 38.460 0.092 0.000 0.983 731 Y HN 0.279 nan 8.280 nan 0.000 0.524 732 Y N 1.044 121.325 120.300 -0.032 0.000 2.242 732 Y HA -0.228 4.314 4.550 -0.014 0.000 0.291 732 Y C 1.863 177.704 175.900 -0.098 0.000 1.137 732 Y CA 1.649 59.661 58.100 -0.146 0.000 1.181 732 Y CB -0.288 38.139 38.460 -0.054 0.000 0.989 732 Y HN 0.058 nan 8.280 nan 0.000 0.527 733 D N -0.127 120.335 120.400 0.102 0.000 2.123 733 D HA -0.116 4.516 4.640 -0.014 0.000 0.200 733 D C 1.959 178.216 176.300 -0.072 0.000 0.976 733 D CA 1.270 55.282 54.000 0.020 0.000 0.831 733 D CB -0.116 40.715 40.800 0.052 0.000 0.974 733 D HN 0.469 nan 8.370 nan 0.000 0.469 734 R N 0.064 120.519 120.500 -0.075 0.000 2.276 734 R HA 0.185 4.517 4.340 -0.014 0.000 0.196 734 R C 0.460 176.718 176.300 -0.069 0.000 0.961 734 R CA 0.175 56.232 56.100 -0.071 0.000 1.024 734 R CB 0.543 30.799 30.300 -0.073 0.000 0.940 734 R HN 0.185 nan 8.270 nan 0.000 0.480 735 I N 2.475 122.981 120.570 -0.106 0.000 2.390 735 I HA 0.206 4.367 4.170 -0.014 0.000 0.283 735 I C -1.841 174.162 176.117 -0.189 0.000 1.016 735 I CA -2.449 58.793 61.300 -0.098 0.000 1.151 735 I CB 2.262 40.227 38.000 -0.059 0.000 1.293 735 I HN -0.254 nan 8.210 nan 0.000 0.458 736 P HA -0.142 nan 4.420 nan 0.000 0.216 736 P C 1.211 178.410 177.300 -0.168 0.000 1.153 736 P CA 1.275 64.275 63.100 -0.168 0.000 0.848 736 P CB 0.298 31.935 31.700 -0.105 0.000 0.787 737 E N -0.822 119.319 120.200 -0.098 0.000 2.085 737 E HA -0.185 4.157 4.350 -0.014 0.000 0.194 737 E C 1.872 178.383 176.600 -0.149 0.000 0.994 737 E CA 0.875 57.239 56.400 -0.059 0.000 0.801 737 E CB -0.640 29.098 29.700 0.064 0.000 0.743 737 E HN 0.102 nan 8.360 nan 0.000 0.453 738 L N 1.341 122.384 121.223 -0.301 0.000 2.056 738 L HA -0.135 4.197 4.340 -0.014 0.000 0.207 738 L C 2.348 178.947 176.870 -0.452 0.000 1.078 738 L CA 1.653 56.148 54.840 -0.575 0.000 0.749 738 L CB -0.440 41.119 42.059 -0.833 0.000 0.901 738 L HN -0.072 nan 8.230 nan 0.000 0.433 739 R N -0.814 119.387 120.500 -0.499 0.000 2.073 739 R HA -0.235 4.097 4.340 -0.014 0.000 0.234 739 R C 2.392 178.522 176.300 -0.283 0.000 1.134 739 R CA 1.950 57.663 56.100 -0.645 0.000 0.952 739 R CB -0.397 29.441 30.300 -0.770 0.000 0.850 739 R HN 0.609 nan 8.270 nan 0.000 0.433 740 Q N 0.448 120.120 119.800 -0.213 0.000 2.112 740 Q HA -0.204 4.127 4.340 -0.014 0.000 0.206 740 Q C 2.067 178.024 176.000 -0.071 0.000 0.987 740 Q CA 2.036 57.764 55.803 -0.126 0.000 0.858 740 Q CB -0.123 28.544 28.738 -0.118 0.000 0.905 740 Q HN 0.490 nan 8.270 nan 0.000 0.420 741 I N 0.031 120.563 120.570 -0.063 0.000 2.202 741 I HA -0.287 3.875 4.170 -0.014 0.000 0.242 741 I C 2.172 178.335 176.117 0.078 0.000 1.091 741 I CA 0.832 62.146 61.300 0.022 0.000 1.368 741 I CB -0.193 37.807 38.000 0.001 0.000 1.058 741 I HN 0.227 nan 8.210 nan 0.000 0.410 742 I N 0.757 121.366 120.570 0.065 0.000 2.264 742 I HA -0.284 3.877 4.170 -0.014 0.000 0.248 742 I C 2.373 178.599 176.117 0.180 0.000 1.111 742 I CA 1.646 63.047 61.300 0.169 0.000 1.382 742 I CB -0.359 37.824 38.000 0.305 0.000 1.060 742 I HN 0.210 nan 8.210 nan 0.000 0.418 743 E N -0.415 119.871 120.200 0.143 0.000 2.285 743 E HA -0.211 4.131 4.350 -0.014 0.000 0.194 743 E C 2.075 178.744 176.600 0.114 0.000 0.997 743 E CA 0.543 57.020 56.400 0.128 0.000 0.845 743 E CB -0.094 29.659 29.700 0.088 0.000 0.782 743 E HN 0.593 nan 8.360 nan 0.000 0.491 744 Q N 0.464 120.328 119.800 0.106 0.000 2.123 744 Q HA -0.048 4.284 4.340 -0.014 0.000 0.199 744 Q C 2.221 178.408 176.000 0.311 0.000 0.966 744 Q CA 0.758 56.638 55.803 0.129 0.000 0.845 744 Q CB 0.162 28.923 28.738 0.038 0.000 0.907 744 Q HN 0.277 nan 8.270 nan 0.000 0.439 745 L N -0.552 120.863 121.223 0.319 0.000 2.072 745 L HA -0.136 4.196 4.340 -0.014 0.000 0.205 745 L C 2.353 179.402 176.870 0.299 0.000 1.079 745 L CA 0.818 55.862 54.840 0.339 0.000 0.752 745 L CB -0.282 41.902 42.059 0.209 0.000 0.906 745 L HN 0.112 nan 8.230 nan 0.000 0.436 746 S N -0.405 115.429 115.700 0.224 0.000 2.423 746 S HA -0.120 4.342 4.470 -0.014 0.000 0.231 746 S C 1.954 176.654 174.600 0.166 0.000 1.014 746 S CA 1.444 59.754 58.200 0.184 0.000 0.965 746 S CB -0.101 63.189 63.200 0.149 0.000 0.785 746 S HN 0.588 nan 8.310 nan 0.000 0.495 747 S N -0.219 115.584 115.700 0.172 0.000 2.556 747 S HA 0.418 4.880 4.470 -0.014 0.000 0.216 747 S C 1.283 175.975 174.600 0.153 0.000 0.970 747 S CA 0.522 58.808 58.200 0.143 0.000 0.912 747 S CB 0.342 63.615 63.200 0.122 0.000 0.790 747 S HN 0.667 nan 8.310 nan 0.000 0.504 748 G N 1.090 110.012 108.800 0.202 0.000 2.132 748 G HA2 -0.321 3.631 3.960 -0.014 0.000 0.234 748 G HA3 -0.321 3.631 3.960 -0.014 0.000 0.234 748 G C 0.220 175.204 174.900 0.140 0.000 0.989 748 G CA 0.142 45.350 45.100 0.179 0.000 0.676 748 G HN 0.581 nan 8.290 nan 0.000 0.522 749 F N 0.121 120.076 119.950 0.009 0.000 2.202 749 F HA 0.160 4.679 4.527 -0.014 0.000 0.301 749 F C 1.881 177.503 175.800 -0.297 0.000 1.082 749 F CA 2.026 59.914 58.000 -0.186 0.000 1.313 749 F CB -0.048 38.754 39.000 -0.331 0.000 1.024 749 F HN 0.164 nan 8.300 nan 0.000 0.495 750 F N -0.191 119.781 119.950 0.036 0.000 2.727 750 F HA 0.198 4.717 4.527 -0.014 0.000 0.302 750 F C 0.680 176.526 175.800 0.077 0.000 1.097 750 F CA 0.237 58.213 58.000 -0.040 0.000 1.330 750 F CB -0.013 39.001 39.000 0.023 0.000 1.084 750 F HN -0.029 nan 8.300 nan 0.000 0.578 751 S N -1.685 114.149 115.700 0.223 0.000 2.440 751 S HA 0.328 4.790 4.470 -0.014 0.000 0.142 751 S C -2.464 172.165 174.600 0.049 0.000 1.578 751 S CA -1.106 57.177 58.200 0.140 0.000 1.260 751 S CB 1.011 64.287 63.200 0.127 0.000 1.407 751 S HN -0.194 nan 8.310 nan 0.000 0.392 752 P HA -0.159 nan 4.420 nan 0.000 0.212 752 P C 1.279 178.580 177.300 0.001 0.000 1.178 752 P CA 1.554 64.645 63.100 -0.016 0.000 0.915 752 P CB 0.070 31.741 31.700 -0.048 0.000 0.788 753 K N -0.845 119.554 120.400 -0.002 0.000 2.103 753 K HA -0.129 4.183 4.320 -0.014 0.000 0.207 753 K C 0.684 177.288 176.600 0.006 0.000 1.048 753 K CA 1.156 57.444 56.287 0.002 0.000 0.930 753 K CB -0.335 32.168 32.500 0.004 0.000 0.716 753 K HN 0.368 nan 8.250 nan 0.000 0.444 754 Q N -0.263 119.538 119.800 0.003 0.000 2.798 754 Q HA 0.158 4.490 4.340 -0.014 0.000 0.250 754 Q C -2.324 173.675 176.000 -0.002 0.000 1.006 754 Q CA -1.655 54.144 55.803 -0.006 0.000 0.759 754 Q CB 1.580 30.305 28.738 -0.021 0.000 1.201 754 Q HN -0.079 nan 8.270 nan 0.000 0.486 755 P HA -0.241 nan 4.420 nan 0.000 0.216 755 P C 0.680 178.023 177.300 0.071 0.000 1.150 755 P CA 1.449 64.584 63.100 0.059 0.000 0.843 755 P CB 0.211 31.944 31.700 0.055 0.000 0.787 756 D N -0.959 119.466 120.400 0.041 0.000 2.328 756 D HA -0.025 4.607 4.640 -0.014 0.000 0.221 756 D C 1.655 177.962 176.300 0.010 0.000 1.072 756 D CA -0.166 53.864 54.000 0.051 0.000 0.850 756 D CB -0.505 40.323 40.800 0.047 0.000 0.922 756 D HN 0.025 nan 8.370 nan 0.000 0.516 757 L N 0.063 121.233 121.223 -0.089 0.000 2.081 757 L HA -0.099 4.233 4.340 -0.014 0.000 0.212 757 L C 0.985 177.632 176.870 -0.371 0.000 1.080 757 L CA 1.641 56.307 54.840 -0.290 0.000 0.754 757 L CB -0.620 41.101 42.059 -0.563 0.000 0.893 757 L HN -0.015 nan 8.230 nan 0.000 0.433 758 F N -0.783 119.220 119.950 0.089 0.000 2.837 758 F HA 0.167 4.686 4.527 -0.013 0.000 0.298 758 F C 1.699 177.551 175.800 0.086 0.000 1.161 758 F CA -0.255 57.788 58.000 0.072 0.000 1.353 758 F CB -0.227 38.805 39.000 0.053 0.000 0.951 758 F HN 0.087 nan 8.300 nan 0.000 0.508 759 K N -0.851 119.669 120.400 0.199 0.000 2.211 759 K HA -0.118 4.194 4.320 -0.014 0.000 0.203 759 K C 0.941 177.647 176.600 0.177 0.000 1.050 759 K CA 1.618 58.007 56.287 0.170 0.000 0.945 759 K CB -0.121 32.455 32.500 0.127 0.000 0.732 759 K HN 0.044 nan 8.250 nan 0.000 0.451 760 D N 1.299 121.815 120.400 0.193 0.000 2.144 760 D HA -0.061 4.571 4.640 -0.014 0.000 0.200 760 D C 1.984 178.399 176.300 0.192 0.000 0.978 760 D CA 1.041 55.167 54.000 0.210 0.000 0.833 760 D CB -0.080 40.877 40.800 0.261 0.000 0.961 760 D HN 0.280 nan 8.370 nan 0.000 0.470 761 I N 0.396 121.077 120.570 0.184 0.000 2.202 761 I HA -0.212 3.950 4.170 -0.014 0.000 0.242 761 I C 2.453 178.628 176.117 0.098 0.000 1.091 761 I CA 0.578 61.956 61.300 0.131 0.000 1.368 761 I CB -0.187 37.886 38.000 0.121 0.000 1.058 761 I HN -0.132 nan 8.210 nan 0.000 0.410 762 V N 0.978 120.966 119.914 0.123 0.000 2.295 762 V HA -0.333 3.779 4.120 -0.014 0.000 0.246 762 V C 2.177 178.288 176.094 0.029 0.000 1.049 762 V CA 2.557 64.911 62.300 0.092 0.000 1.024 762 V CB -1.018 30.879 31.823 0.124 0.000 0.648 762 V HN 0.500 nan 8.190 nan 0.000 0.447 763 N N -0.403 118.348 118.700 0.085 0.000 2.069 763 N HA -0.256 4.476 4.740 -0.014 0.000 0.191 763 N C 1.993 177.495 175.510 -0.012 0.000 1.031 763 N CA 1.949 55.065 53.050 0.110 0.000 0.852 763 N CB -0.189 38.432 38.487 0.224 0.000 1.018 763 N HN 0.390 nan 8.380 nan 0.000 0.423 764 M N 0.098 119.749 119.600 0.085 0.000 2.086 764 M HA -0.143 4.329 4.480 -0.014 0.000 0.261 764 M C 1.553 177.788 176.300 -0.109 0.000 1.067 764 M CA 1.345 56.708 55.300 0.105 0.000 1.116 764 M CB -0.440 32.284 32.600 0.207 0.000 1.348 764 M HN 0.249 nan 8.290 nan 0.000 0.407 765 L N 0.911 122.045 121.223 -0.148 0.000 2.042 765 L HA -0.214 4.118 4.340 -0.014 0.000 0.210 765 L C 2.464 179.034 176.870 -0.499 0.000 1.076 765 L CA 1.733 56.364 54.840 -0.348 0.000 0.749 765 L CB -1.111 40.766 42.059 -0.302 0.000 0.893 765 L HN 0.389 nan 8.230 nan 0.000 0.432 766 M N -1.982 117.361 119.600 -0.429 0.000 2.288 766 M HA -0.068 4.404 4.480 -0.014 0.000 0.266 766 M C 1.826 177.690 176.300 -0.728 0.000 1.072 766 M CA 1.289 56.249 55.300 -0.567 0.000 1.132 766 M CB -0.759 31.397 32.600 -0.740 0.000 1.386 766 M HN 0.337 nan 8.290 nan 0.000 0.432 767 H N -1.679 117.164 119.070 -0.378 0.000 2.927 767 H HA 0.204 4.752 4.556 -0.014 0.000 0.255 767 H C 0.094 175.124 175.328 -0.497 0.000 0.974 767 H CA 0.612 56.367 56.048 -0.488 0.000 1.199 767 H CB 0.273 29.680 29.762 -0.592 0.000 1.447 767 H HN 0.551 nan 8.280 nan 0.000 0.467 768 H N -0.436 118.695 119.070 0.101 0.000 2.825 768 H HA 0.206 4.753 4.556 -0.014 0.000 0.226 768 H C -0.926 174.414 175.328 0.020 0.000 1.414 768 H CA -0.509 55.581 56.048 0.069 0.000 1.198 768 H CB 0.418 30.224 29.762 0.073 0.000 2.013 768 H HN -0.077 nan 8.280 nan 0.000 0.530 769 D N 1.438 121.864 120.400 0.043 0.000 2.393 769 D HA 0.109 4.741 4.640 -0.014 0.000 0.232 769 D C 0.939 177.144 176.300 -0.158 0.000 1.192 769 D CA -0.265 53.718 54.000 -0.028 0.000 0.882 769 D CB 0.598 41.356 40.800 -0.069 0.000 1.038 769 D HN 0.398 nan 8.370 nan 0.000 0.499 770 R N 2.255 122.566 120.500 -0.315 0.000 2.237 770 R HA -0.045 4.286 4.340 -0.014 0.000 0.219 770 R C 0.435 176.143 176.300 -0.987 0.000 1.080 770 R CA 0.803 56.486 56.100 -0.694 0.000 0.995 770 R CB 0.156 29.853 30.300 -1.005 0.000 0.875 770 R HN 0.393 nan 8.270 nan 0.000 0.462 771 F N 1.317 121.210 119.950 -0.096 0.000 2.791 771 F HA 0.210 4.729 4.527 -0.014 0.000 0.308 771 F C -0.038 175.622 175.800 -0.233 0.000 1.138 771 F CA -0.959 56.969 58.000 -0.120 0.000 1.294 771 F CB 0.142 39.131 39.000 -0.018 0.000 0.975 771 F HN -0.188 nan 8.300 nan 0.000 0.512 772 K N -0.770 119.387 120.400 -0.405 0.000 4.166 772 K HA -0.209 4.103 4.320 -0.014 0.000 0.276 772 K C 0.772 177.235 176.600 -0.228 0.000 0.808 772 K CA 0.251 56.124 56.287 -0.689 0.000 0.717 772 K CB -1.821 30.061 32.500 -1.030 0.000 1.774 772 K HN 0.305 nan 8.250 nan 0.000 0.427 773 V N 0.796 120.651 119.914 -0.099 0.000 2.287 773 V HA -0.263 3.849 4.120 -0.014 0.000 0.248 773 V C 2.219 178.439 176.094 0.211 0.000 1.053 773 V CA 2.179 64.504 62.300 0.042 0.000 1.027 773 V CB -0.631 31.211 31.823 0.032 0.000 0.646 773 V HN 0.619 nan 8.190 nan 0.000 0.447 774 F N 0.353 120.314 119.950 0.017 0.000 2.161 774 F HA -0.238 4.281 4.527 -0.014 0.000 0.300 774 F C 2.557 178.188 175.800 -0.283 0.000 1.089 774 F CA 0.733 58.697 58.000 -0.062 0.000 1.282 774 F CB -0.439 38.524 39.000 -0.061 0.000 1.010 774 F HN 0.208 nan 8.300 nan 0.000 0.485 775 A N -0.414 122.282 122.820 -0.207 0.000 2.024 775 A HA -0.222 4.090 4.320 -0.014 0.000 0.220 775 A C 1.443 179.050 177.584 0.037 0.000 1.164 775 A CA 2.084 53.936 52.037 -0.308 0.000 0.643 775 A CB -0.496 18.437 19.000 -0.112 0.000 0.806 775 A HN 0.252 nan 8.150 nan 0.000 0.451 776 D N -3.031 117.443 120.400 0.124 0.000 2.369 776 D HA 0.113 4.745 4.640 -0.014 0.000 0.211 776 D C 1.129 177.609 176.300 0.300 0.000 1.077 776 D CA -0.097 54.045 54.000 0.237 0.000 0.842 776 D CB -0.142 40.802 40.800 0.241 0.000 0.947 776 D HN 0.576 nan 8.370 nan 0.000 0.509 777 Y N 2.066 122.465 120.300 0.165 0.000 2.070 777 Y HA -0.239 4.303 4.550 -0.013 0.000 0.280 777 Y C 2.106 178.104 175.900 0.163 0.000 1.148 777 Y CA 1.929 60.135 58.100 0.177 0.000 1.125 777 Y CB 0.167 38.705 38.460 0.130 0.000 0.975 777 Y HN -0.109 nan 8.280 nan 0.000 0.492 778 E N 0.004 120.336 120.200 0.221 0.000 2.049 778 E HA -0.295 4.046 4.350 -0.014 0.000 0.198 778 E C 2.205 178.807 176.600 0.003 0.000 1.007 778 E CA 1.783 58.231 56.400 0.080 0.000 0.809 778 E CB -0.266 29.559 29.700 0.208 0.000 0.749 778 E HN 0.623 nan 8.360 nan 0.000 0.450 779 E N -0.497 119.772 120.200 0.116 0.000 2.204 779 E HA -0.189 4.152 4.350 -0.014 0.000 0.195 779 E C 1.821 178.433 176.600 0.019 0.000 0.990 779 E CA 0.509 56.990 56.400 0.136 0.000 0.821 779 E CB -0.021 29.845 29.700 0.276 0.000 0.750 779 E HN 0.248 nan 8.360 nan 0.000 0.477 780 Y N 0.534 120.659 120.300 -0.293 0.000 2.184 780 Y HA -0.182 4.359 4.550 -0.014 0.000 0.290 780 Y C 2.165 177.674 175.900 -0.651 0.000 1.129 780 Y CA 1.464 59.066 58.100 -0.830 0.000 1.144 780 Y CB -0.574 37.447 38.460 -0.731 0.000 0.995 780 Y HN -0.026 nan 8.280 nan 0.000 0.513 781 V N -0.434 119.115 119.914 -0.608 0.000 2.427 781 V HA -0.151 3.960 4.120 -0.014 0.000 0.248 781 V C 2.213 178.086 176.094 -0.370 0.000 1.051 781 V CA 2.199 64.162 62.300 -0.560 0.000 1.048 781 V CB -0.632 30.942 31.823 -0.416 0.000 0.666 781 V HN 0.213 nan 8.190 nan 0.000 0.456 782 K N 0.076 120.323 120.400 -0.255 0.000 2.009 782 K HA -0.140 4.172 4.320 -0.014 0.000 0.210 782 K C 2.304 178.818 176.600 -0.144 0.000 1.049 782 K CA 2.113 58.318 56.287 -0.137 0.000 0.929 782 K CB -1.384 31.082 32.500 -0.056 0.000 0.714 782 K HN 0.671 nan 8.250 nan 0.000 0.440 783 C N 0.861 120.050 119.300 -0.184 0.000 2.425 783 C HA -0.081 4.371 4.460 -0.014 0.000 0.277 783 C C 2.437 177.258 174.990 -0.283 0.000 1.280 783 C CA 0.707 59.644 59.018 -0.135 0.000 1.744 783 C CB -0.732 26.949 27.740 -0.099 0.000 1.989 783 C HN 0.454 nan 8.230 nan 0.000 0.491 784 Q N 0.307 119.799 119.800 -0.514 0.000 2.170 784 Q HA -0.166 4.166 4.340 -0.014 0.000 0.203 784 Q C 1.968 177.781 176.000 -0.311 0.000 0.976 784 Q CA 1.526 56.984 55.803 -0.575 0.000 0.858 784 Q CB -0.327 27.844 28.738 -0.944 0.000 0.907 784 Q HN 0.754 nan 8.270 nan 0.000 0.433 785 E N 0.145 120.221 120.200 -0.206 0.000 2.106 785 E HA -0.128 4.214 4.350 -0.014 0.000 0.192 785 E C 2.057 178.629 176.600 -0.047 0.000 0.984 785 E CA 0.588 56.928 56.400 -0.100 0.000 0.806 785 E CB 0.084 29.743 29.700 -0.068 0.000 0.750 785 E HN 0.236 nan 8.360 nan 0.000 0.458 786 R N 0.352 120.837 120.500 -0.025 0.000 2.096 786 R HA -0.112 4.220 4.340 -0.014 0.000 0.235 786 R C 2.659 179.034 176.300 0.125 0.000 1.127 786 R CA 1.458 57.621 56.100 0.106 0.000 0.968 786 R CB -0.596 29.837 30.300 0.223 0.000 0.861 786 R HN 0.236 nan 8.270 nan 0.000 0.440 787 V N -1.225 118.569 119.914 -0.199 0.000 2.453 787 V HA -0.107 4.005 4.120 -0.014 0.000 0.247 787 V C 1.954 178.094 176.094 0.078 0.000 1.048 787 V CA 1.838 63.955 62.300 -0.306 0.000 1.049 787 V CB -0.097 31.241 31.823 -0.808 0.000 0.672 787 V HN 0.075 nan 8.190 nan 0.000 0.457 788 S N 0.927 116.609 115.700 -0.030 0.000 2.382 788 S HA -0.002 4.460 4.470 -0.014 0.000 0.228 788 S C 2.260 176.924 174.600 0.107 0.000 1.027 788 S CA 1.572 59.774 58.200 0.003 0.000 0.991 788 S CB -0.592 62.578 63.200 -0.050 0.000 0.823 788 S HN 0.962 nan 8.310 nan 0.000 0.469 789 A N 1.444 124.335 122.820 0.119 0.000 1.877 789 A HA 0.005 4.317 4.320 -0.014 0.000 0.216 789 A C 2.076 179.779 177.584 0.199 0.000 1.186 789 A CA 1.083 53.205 52.037 0.142 0.000 0.620 789 A CB -0.745 18.332 19.000 0.129 0.000 0.822 789 A HN 0.459 nan 8.150 nan 0.000 0.443 790 L N -1.931 119.479 121.223 0.313 0.000 2.141 790 L HA -0.138 4.194 4.340 -0.014 0.000 0.209 790 L C 2.423 179.579 176.870 0.477 0.000 1.094 790 L CA 1.641 56.742 54.840 0.434 0.000 0.763 790 L CB -0.422 42.013 42.059 0.626 0.000 0.908 790 L HN 0.604 nan 8.230 nan 0.000 0.437 791 Y N 0.955 121.350 120.300 0.159 0.000 2.352 791 Y HA -0.250 4.292 4.550 -0.013 0.000 0.292 791 Y C 2.420 178.227 175.900 -0.155 0.000 1.136 791 Y CA 1.551 59.445 58.100 -0.344 0.000 1.227 791 Y CB -0.053 38.012 38.460 -0.658 0.000 0.991 791 Y HN 0.037 nan 8.280 nan 0.000 0.545 792 K N 0.041 120.444 120.400 0.006 0.000 2.442 792 K HA -0.120 4.192 4.320 -0.014 0.000 0.198 792 K C 0.352 176.921 176.600 -0.051 0.000 1.042 792 K CA 0.669 56.950 56.287 -0.011 0.000 0.958 792 K CB -0.102 32.449 32.500 0.083 0.000 0.766 792 K HN 0.058 nan 8.250 nan 0.000 0.474 793 N N 0.303 118.992 118.700 -0.019 0.000 3.012 793 N HA 0.135 4.867 4.740 -0.014 0.000 0.270 793 N C -2.441 173.072 175.510 0.006 0.000 1.469 793 N CA -2.212 50.842 53.050 0.008 0.000 0.928 793 N CB 0.969 39.498 38.487 0.070 0.000 1.219 793 N HN -0.189 nan 8.380 nan 0.000 0.492 794 P HA -0.260 nan 4.420 nan 0.000 0.222 794 P C 1.422 178.741 177.300 0.032 0.000 1.159 794 P CA 1.482 64.517 63.100 -0.109 0.000 0.920 794 P CB 0.295 31.904 31.700 -0.151 0.000 0.793 795 R N -0.478 120.036 120.500 0.023 0.000 2.091 795 R HA -0.183 4.149 4.340 -0.014 0.000 0.238 795 R C 2.018 178.363 176.300 0.076 0.000 1.136 795 R CA 1.501 57.627 56.100 0.044 0.000 0.959 795 R CB -0.309 30.007 30.300 0.027 0.000 0.856 795 R HN 0.149 nan 8.270 nan 0.000 0.437 796 E N -0.414 119.843 120.200 0.095 0.000 2.158 796 E HA -0.188 4.154 4.350 -0.014 0.000 0.191 796 E C 1.536 178.222 176.600 0.144 0.000 0.982 796 E CA 0.496 56.956 56.400 0.100 0.000 0.823 796 E CB -0.392 29.364 29.700 0.094 0.000 0.766 796 E HN 0.494 nan 8.360 nan 0.000 0.468 797 W N 2.169 123.474 121.300 0.009 0.000 2.354 797 W HA -0.184 4.467 4.660 -0.015 0.000 0.315 797 W C 1.548 178.085 176.519 0.029 0.000 1.206 797 W CA 2.129 59.497 57.345 0.039 0.000 1.290 797 W CB -0.373 29.090 29.460 0.005 0.000 1.152 797 W HN 0.032 nan 8.180 nan 0.000 0.489 798 T N 1.124 115.836 114.554 0.262 0.000 2.833 798 T HA -0.165 4.176 4.350 -0.014 0.000 0.269 798 T C 1.818 176.544 174.700 0.043 0.000 1.054 798 T CA 1.494 63.675 62.100 0.135 0.000 1.135 798 T CB -0.287 68.641 68.868 0.099 0.000 0.869 798 T HN 0.190 nan 8.240 nan 0.000 0.466 799 R N 0.285 120.811 120.500 0.044 0.000 2.090 799 R HA 0.177 4.509 4.340 -0.014 0.000 0.228 799 R C 2.475 178.771 176.300 -0.005 0.000 1.110 799 R CA 0.938 57.059 56.100 0.036 0.000 0.973 799 R CB -0.289 30.036 30.300 0.042 0.000 0.869 799 R HN 0.362 nan 8.270 nan 0.000 0.440 800 M N 0.490 120.051 119.600 -0.066 0.000 2.175 800 M HA -0.120 4.352 4.480 -0.014 0.000 0.264 800 M C 1.879 178.096 176.300 -0.138 0.000 1.063 800 M CA 1.275 56.497 55.300 -0.129 0.000 1.119 800 M CB 0.229 32.688 32.600 -0.236 0.000 1.377 800 M HN -0.036 nan 8.290 nan 0.000 0.415 801 V N 0.805 120.625 119.914 -0.157 0.000 2.295 801 V HA -0.300 3.811 4.120 -0.014 0.000 0.246 801 V C 2.179 178.263 176.094 -0.016 0.000 1.049 801 V CA 1.921 64.158 62.300 -0.106 0.000 1.024 801 V CB -0.577 31.211 31.823 -0.058 0.000 0.648 801 V HN 0.503 nan 8.190 nan 0.000 0.447 802 I N -0.595 119.987 120.570 0.021 0.000 2.454 802 I HA -0.250 3.911 4.170 -0.014 0.000 0.254 802 I C 2.644 178.810 176.117 0.082 0.000 1.156 802 I CA 1.308 62.664 61.300 0.093 0.000 1.433 802 I CB -0.267 37.833 38.000 0.167 0.000 1.082 802 I HN 0.181 nan 8.210 nan 0.000 0.432 803 R N 0.758 121.283 120.500 0.041 0.000 2.115 803 R HA -0.049 4.283 4.340 -0.014 0.000 0.226 803 R C 2.030 178.363 176.300 0.055 0.000 1.100 803 R CA 1.115 57.238 56.100 0.039 0.000 0.980 803 R CB -0.191 30.116 30.300 0.010 0.000 0.875 803 R HN 0.412 nan 8.270 nan 0.000 0.445 804 N N -0.198 118.530 118.700 0.047 0.000 2.132 804 N HA -0.076 4.656 4.740 -0.014 0.000 0.187 804 N C 1.806 177.377 175.510 0.102 0.000 1.038 804 N CA 1.409 54.511 53.050 0.087 0.000 0.846 804 N CB -0.033 38.478 38.487 0.041 0.000 1.012 804 N HN 0.123 nan 8.380 nan 0.000 0.429 805 I N 1.823 122.440 120.570 0.078 0.000 2.118 805 I HA -0.272 3.890 4.170 -0.014 0.000 0.241 805 I C 2.367 178.531 176.117 0.078 0.000 1.070 805 I CA 1.201 62.550 61.300 0.082 0.000 1.327 805 I CB -0.331 37.711 38.000 0.070 0.000 1.034 805 I HN 0.099 nan 8.210 nan 0.000 0.405 806 A N -1.255 121.611 122.820 0.075 0.000 2.178 806 A HA -0.166 4.146 4.320 -0.014 0.000 0.218 806 A C 2.157 179.772 177.584 0.052 0.000 1.157 806 A CA 2.009 54.080 52.037 0.056 0.000 0.689 806 A CB -0.546 18.493 19.000 0.065 0.000 0.787 806 A HN 0.406 nan 8.150 nan 0.000 0.465 807 T N -1.037 113.562 114.554 0.076 0.000 3.132 807 T HA 0.144 4.486 4.350 -0.014 0.000 0.274 807 T C 1.385 176.157 174.700 0.120 0.000 1.011 807 T CA 0.667 62.813 62.100 0.076 0.000 0.899 807 T CB -0.405 68.510 68.868 0.078 0.000 1.089 807 T HN 0.585 nan 8.240 nan 0.000 0.543 808 S N -0.970 114.823 115.700 0.155 0.000 2.575 808 S HA 0.206 4.668 4.470 -0.014 0.000 0.215 808 S C 2.287 176.984 174.600 0.163 0.000 0.966 808 S CA 0.478 58.841 58.200 0.272 0.000 0.911 808 S CB -0.245 63.114 63.200 0.266 0.000 0.780 808 S HN 0.427 nan 8.310 nan 0.000 0.514 809 G N 3.050 111.883 108.800 0.056 0.000 2.556 809 G HA2 -0.355 3.597 3.960 -0.014 0.000 0.220 809 G HA3 -0.355 3.597 3.960 -0.014 0.000 0.220 809 G C 1.341 176.191 174.900 -0.083 0.000 1.156 809 G CA 1.219 46.326 45.100 0.011 0.000 0.766 809 G HN 0.565 nan 8.290 nan 0.000 0.583 810 K N 0.019 120.257 120.400 -0.270 0.000 2.286 810 K HA -0.071 4.241 4.320 -0.014 0.000 0.203 810 K C 1.179 177.465 176.600 -0.524 0.000 1.045 810 K CA 0.750 56.752 56.287 -0.476 0.000 0.935 810 K CB -0.293 31.760 32.500 -0.745 0.000 0.737 810 K HN 0.449 nan 8.250 nan 0.000 0.460 811 F N 1.048 121.028 119.950 0.049 0.000 2.701 811 F HA 0.096 4.615 4.527 -0.014 0.000 0.295 811 F C 0.791 176.635 175.800 0.074 0.000 1.165 811 F CA -0.632 57.403 58.000 0.059 0.000 1.399 811 F CB 0.401 39.433 39.000 0.053 0.000 0.996 811 F HN -0.123 nan 8.300 nan 0.000 0.513 812 S N 0.031 115.821 115.700 0.150 0.000 2.537 812 S HA 0.132 4.594 4.470 -0.014 0.000 0.275 812 S C 1.332 176.017 174.600 0.143 0.000 1.272 812 S CA -0.376 57.908 58.200 0.141 0.000 1.050 812 S CB 1.116 64.370 63.200 0.089 0.000 0.961 812 S HN 0.297 nan 8.310 nan 0.000 0.496 813 S N 3.048 118.854 115.700 0.176 0.000 2.507 813 S HA -0.072 4.390 4.470 -0.014 0.000 0.235 813 S C 0.856 175.507 174.600 0.086 0.000 0.988 813 S CA 0.667 58.987 58.200 0.200 0.000 0.944 813 S CB -0.377 63.007 63.200 0.306 0.000 0.762 813 S HN 0.791 nan 8.310 nan 0.000 0.526 814 D N 1.789 122.227 120.400 0.063 0.000 2.144 814 D HA -0.049 4.583 4.640 -0.014 0.000 0.200 814 D C 2.094 178.400 176.300 0.011 0.000 0.978 814 D CA 0.670 54.686 54.000 0.027 0.000 0.833 814 D CB -0.292 40.523 40.800 0.025 0.000 0.961 814 D HN 0.282 nan 8.370 nan 0.000 0.470 815 R N 0.766 121.277 120.500 0.019 0.000 2.066 815 R HA -0.085 4.247 4.340 -0.014 0.000 0.232 815 R C 1.862 178.161 176.300 -0.002 0.000 1.131 815 R CA 1.376 57.475 56.100 -0.002 0.000 0.955 815 R CB -0.650 29.639 30.300 -0.019 0.000 0.851 815 R HN 0.124 nan 8.270 nan 0.000 0.432 816 T N 2.164 116.738 114.554 0.035 0.000 2.652 816 T HA -0.121 4.221 4.350 -0.014 0.000 0.267 816 T C 1.935 176.649 174.700 0.024 0.000 1.039 816 T CA 1.337 63.478 62.100 0.069 0.000 1.153 816 T CB -0.141 68.836 68.868 0.182 0.000 0.863 816 T HN 0.098 nan 8.240 nan 0.000 0.428 817 I N 1.849 122.345 120.570 -0.123 0.000 2.286 817 I HA -0.092 4.070 4.170 -0.014 0.000 0.248 817 I C 2.909 178.987 176.117 -0.065 0.000 1.115 817 I CA 0.864 62.055 61.300 -0.183 0.000 1.392 817 I CB -1.701 36.197 38.000 -0.171 0.000 1.065 817 I HN 0.200 nan 8.210 nan 0.000 0.418 818 A N -0.019 122.781 122.820 -0.035 0.000 1.933 818 A HA -0.233 4.079 4.320 -0.014 0.000 0.218 818 A C 2.277 179.827 177.584 -0.056 0.000 1.175 818 A CA 1.421 53.446 52.037 -0.021 0.000 0.628 818 A CB -0.533 18.459 19.000 -0.014 0.000 0.814 818 A HN 0.500 nan 8.150 nan 0.000 0.444 819 Q N -1.968 117.782 119.800 -0.084 0.000 2.083 819 Q HA -0.141 4.191 4.340 -0.014 0.000 0.198 819 Q C 1.908 177.753 176.000 -0.259 0.000 0.969 819 Q CA 1.511 57.224 55.803 -0.149 0.000 0.838 819 Q CB -0.242 28.398 28.738 -0.163 0.000 0.900 819 Q HN 0.828 nan 8.270 nan 0.000 0.436 820 Y N 0.449 120.472 120.300 -0.462 0.000 2.145 820 Y HA -0.287 4.255 4.550 -0.014 0.000 0.286 820 Y C 2.434 177.795 175.900 -0.899 0.000 1.145 820 Y CA 1.247 58.835 58.100 -0.854 0.000 1.148 820 Y CB -0.425 37.236 38.460 -1.332 0.000 0.981 820 Y HN 0.163 nan 8.280 nan 0.000 0.507 821 A N 0.508 123.114 122.820 -0.356 0.000 1.859 821 A HA -0.268 4.044 4.320 -0.014 0.000 0.217 821 A C 2.255 179.857 177.584 0.029 0.000 1.198 821 A CA 2.344 54.408 52.037 0.046 0.000 0.629 821 A CB -0.652 18.438 19.000 0.150 0.000 0.830 821 A HN 0.447 nan 8.150 nan 0.000 0.446 822 R N -0.693 119.787 120.500 -0.032 0.000 2.062 822 R HA -0.042 4.290 4.340 -0.014 0.000 0.226 822 R C 1.968 178.247 176.300 -0.036 0.000 1.125 822 R CA 1.466 57.557 56.100 -0.015 0.000 0.966 822 R CB -0.301 29.985 30.300 -0.023 0.000 0.861 822 R HN 0.664 nan 8.270 nan 0.000 0.433 823 E N -0.154 119.985 120.200 -0.102 0.000 2.442 823 E HA 0.044 4.386 4.350 -0.014 0.000 0.195 823 E C 1.481 178.026 176.600 -0.092 0.000 1.030 823 E CA 0.601 56.941 56.400 -0.099 0.000 0.869 823 E CB 0.410 30.023 29.700 -0.144 0.000 0.857 823 E HN 0.367 nan 8.360 nan 0.000 0.505 824 I N -1.554 118.928 120.570 -0.146 0.000 3.878 824 I HA 0.023 4.184 4.170 -0.014 0.000 0.273 824 I C 1.374 177.603 176.117 0.187 0.000 1.165 824 I CA -0.118 61.146 61.300 -0.060 0.000 1.360 824 I CB 0.077 37.897 38.000 -0.299 0.000 1.539 824 I HN 0.101 nan 8.210 nan 0.000 0.447 825 W N 1.845 123.235 121.300 0.150 0.000 2.518 825 W HA 0.273 4.925 4.660 -0.014 0.000 0.273 825 W C 1.541 178.099 176.519 0.064 0.000 1.247 825 W CA 1.049 58.465 57.345 0.118 0.000 1.288 825 W CB -1.046 28.471 29.460 0.094 0.000 1.107 825 W HN 0.351 nan 8.180 nan 0.000 0.586 826 G N 0.897 109.837 108.800 0.233 0.000 2.248 826 G HA2 -0.093 3.859 3.960 -0.014 0.000 0.263 826 G HA3 -0.093 3.859 3.960 -0.014 0.000 0.263 826 G C -0.346 174.631 174.900 0.128 0.000 1.082 826 G CA 0.155 45.337 45.100 0.136 0.000 0.863 826 G HN 0.431 nan 8.290 nan 0.000 0.495 827 V N -4.262 115.746 119.914 0.156 0.000 2.962 827 V HA 0.924 5.036 4.120 -0.014 0.000 0.313 827 V C -0.422 175.732 176.094 0.100 0.000 1.099 827 V CA -1.648 60.725 62.300 0.121 0.000 0.971 827 V CB 2.372 34.278 31.823 0.139 0.000 1.028 827 V HN 0.124 nan 8.190 nan 0.000 0.430 828 E N 3.708 123.951 120.200 0.071 0.000 2.109 828 E HA 0.518 4.859 4.350 -0.014 0.000 0.278 828 E C -2.495 174.139 176.600 0.057 0.000 0.954 828 E CA -1.751 54.683 56.400 0.057 0.000 0.779 828 E CB 1.845 31.571 29.700 0.043 0.000 1.093 828 E HN 0.754 nan 8.360 nan 0.000 0.401 829 P HA 0.054 nan 4.420 nan 0.000 0.271 829 P C -0.466 176.860 177.300 0.043 0.000 1.233 829 P CA -0.228 62.904 63.100 0.052 0.000 0.789 829 P CB 0.772 32.499 31.700 0.045 0.000 0.951 830 S N 0.596 116.322 115.700 0.043 0.000 2.566 830 S HA 0.326 4.788 4.470 -0.014 0.000 0.273 830 S C -0.027 174.594 174.600 0.034 0.000 1.157 830 S CA -0.879 57.344 58.200 0.039 0.000 0.938 830 S CB 1.164 64.391 63.200 0.045 0.000 1.087 830 S HN 0.300 nan 8.310 nan 0.000 0.474 831 R N 2.636 123.153 120.500 0.029 0.000 2.721 831 R HA 0.210 4.542 4.340 -0.014 0.000 0.296 831 R C -0.197 176.113 176.300 0.016 0.000 1.174 831 R CA -0.090 56.026 56.100 0.026 0.000 1.129 831 R CB 0.164 30.481 30.300 0.029 0.000 1.316 831 R HN 0.659 nan 8.270 nan 0.000 0.571 832 Q N 1.002 120.810 119.800 0.013 0.000 2.279 832 Q HA 0.188 4.520 4.340 -0.014 0.000 0.256 832 Q C -0.375 175.615 176.000 -0.017 0.000 0.937 832 Q CA -0.379 55.426 55.803 0.002 0.000 0.933 832 Q CB 1.299 30.043 28.738 0.010 0.000 1.189 832 Q HN -0.110 nan 8.270 nan 0.000 0.417 833 R N 1.778 122.262 120.500 -0.026 0.000 2.484 833 R HA 0.038 4.370 4.340 -0.014 0.000 0.293 833 R C -0.542 175.722 176.300 -0.060 0.000 1.023 833 R CA -0.144 55.929 56.100 -0.045 0.000 1.037 833 R CB 0.113 30.387 30.300 -0.044 0.000 0.951 833 R HN 0.413 nan 8.270 nan 0.000 0.418 834 L N 6.726 127.897 121.223 -0.086 0.000 2.426 834 L HA 0.202 4.534 4.340 -0.014 0.000 0.271 834 L C -1.670 175.144 176.870 -0.092 0.000 1.169 834 L CA -1.872 52.889 54.840 -0.132 0.000 0.836 834 L CB 0.525 42.479 42.059 -0.176 0.000 1.112 834 L HN 0.613 nan 8.230 nan 0.000 0.465 835 P HA 0.002 nan 4.420 nan 0.000 0.208 835 P C 0.042 177.321 177.300 -0.034 0.000 1.341 835 P CA 0.697 63.770 63.100 -0.044 0.000 1.235 835 P CB -0.703 30.981 31.700 -0.026 0.000 1.764 836 A N 4.562 127.362 122.820 -0.034 0.000 6.759 836 A HA -0.177 4.135 4.320 -0.014 0.000 0.308 836 A C -1.313 176.261 177.584 -0.017 0.000 2.086 836 A CA 0.499 52.523 52.037 -0.023 0.000 1.123 836 A CB -1.860 17.133 19.000 -0.012 0.000 1.078 836 A HN 0.365 nan 8.150 nan 0.000 0.457 837 P HA 0.175 nan 4.420 nan 0.000 0.238 837 P C 0.116 177.424 177.300 0.013 0.000 1.183 837 P CA 0.576 63.683 63.100 0.011 0.000 0.813 837 P CB -0.371 31.347 31.700 0.029 0.000 0.944 838 D N 1.720 122.127 120.400 0.011 0.000 5.698 838 D HA -0.194 4.438 4.640 -0.014 0.000 0.147 838 D C 1.463 177.768 176.300 0.009 0.000 1.063 838 D CA 0.761 54.767 54.000 0.010 0.000 0.693 838 D CB 0.199 41.003 40.800 0.007 0.000 1.316 838 D HN 0.096 nan 8.370 nan 0.000 0.740 839 E N 2.926 123.131 120.200 0.007 0.000 2.840 839 E HA -0.440 3.901 4.350 -0.014 0.000 0.222 839 E C 0.189 176.790 176.600 0.003 0.000 0.868 839 E CA 2.757 59.158 56.400 0.003 0.000 1.266 839 E CB -0.230 29.470 29.700 -0.000 0.000 1.318 839 E HN 0.887 nan 8.360 nan 0.000 0.486 840 K N -0.531 119.871 120.400 0.002 0.000 7.396 840 K HA -0.168 4.144 4.320 -0.014 0.000 0.647 840 K C -0.659 175.940 176.600 -0.001 0.000 2.584 840 K CA 1.230 57.519 56.287 0.002 0.000 1.938 840 K CB -0.658 31.846 32.500 0.006 0.000 1.962 840 K HN 0.322 nan 8.250 nan 0.000 0.295 841 I N 3.567 124.135 120.570 -0.003 0.000 2.700 841 I HA 0.306 4.468 4.170 -0.014 0.000 0.272 841 I C -1.970 174.143 176.117 -0.005 0.000 1.293 841 I CA -1.593 59.703 61.300 -0.006 0.000 0.989 841 I CB 0.368 38.362 38.000 -0.010 0.000 1.301 841 I HN 0.940 nan 8.210 nan 0.000 0.525 842 P HA 0.000 nan 4.420 nan 0.000 0.216 842 P CA 0.000 63.100 63.100 -0.001 0.000 0.800 842 P CB 0.000 31.703 31.700 0.006 0.000 0.726