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 1ggn_1_A DATA FIRST_RESID 13 DATA SEQUENCE ISVRGLAGVE NVTELKKNFN RHLHFTLVKD RNVATPRDYY FALAHTVRDH DATA SEQUENCE LVGRWIRTQQ HYYEKDPKRI YYLSLEFYMG RTLQNTMVNL ALENACDEAT DATA SEQUENCE YQLGLDMEEL EEIEEDAGLG NGGLGRLAAC FLDSMATLGL AAYGYGIRYE DATA SEQUENCE FGIFNQKICG GWQMEEADDW LRYGNPWEKA RPEFTLPVHF YGRVEHTSQG DATA SEQUENCE AKWVDTQVVL AMPYDTPVPG YRNNVVNTMR LWSAKAPNDF NLKDFNVGGY DATA SEQUENCE IQAVLDRNLA ENISRVLYPN DNFFEGKELR LKQEYFVVAA TLQDIIRRFK DATA SEQUENCE SSKFGCRDPV RTNFDAFPDK VAIQLNDTHP SLAIPELMRV LVDLERLDWD DATA SEQUENCE KAWEVTVKTC AYTNHTVIPE ALERWPVHLL ETLLPRHLQI IYEINQRFLN DATA SEQUENCE RVAAAFPGDV DRLRRMSLVE EGAVKRINMA HLCIAGSHAV NGVARIHSEI DATA SEQUENCE LKKTIFKDFY ELEPHKFQNK TNGITPRRWL VLCNPGLAEI IAERIGEEYI DATA SEQUENCE SDLDQLRKLL SYVDDEAFIR DVAKVKQENK LKFAAYLERE YKVHINPNSL DATA SEQUENCE FDVQVKRIHE YKRQLLNCLH VITLYNRIKK EPNKFVVPRT VMIGGKAAPG DATA SEQUENCE YHMAKMIIKL ITAIGDVVNH DPVVGDRLRV IFLENYRVSL AEKVIPAADL DATA SEQUENCE SEQISTAGTE ASGTGNMKFM LNGALTIGTM DGANVEMAEE AGEENFFIFG DATA SEQUENCE MRVEDVDRLD QRGYNAQEYY DRIPELRQII EQLSSGFFSP KQPDLFKDIV DATA SEQUENCE NMLMHHDRFK VFADYEEYVK CQERVSALYK NPREWTRMVI RNIATSGKFS DATA SEQUENCE SDRTIAQYAR EIWGVEPSRQ RLPAPDEKIP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 13 I HA 0.000 nan 4.170 nan 0.000 0.288 13 I C 0.000 176.106 176.117 -0.018 0.000 1.063 13 I CA 0.000 61.280 61.300 -0.034 0.000 1.566 13 I CB 0.000 37.971 38.000 -0.048 0.000 1.214 14 S N -0.414 115.280 115.700 -0.010 0.000 2.630 14 S HA 0.150 4.613 4.470 -0.013 0.000 0.274 14 S C -1.619 172.984 174.600 0.005 0.000 0.915 14 S CA 0.072 58.273 58.200 0.003 0.000 1.079 14 S CB 0.844 64.046 63.200 0.004 0.000 1.360 14 S HN 0.173 nan 8.310 nan 0.000 0.455 15 V N 4.246 124.169 119.914 0.016 0.000 2.847 15 V HA 0.405 4.517 4.120 -0.013 0.000 0.364 15 V C 0.867 176.969 176.094 0.013 0.000 1.374 15 V CA -0.054 62.256 62.300 0.016 0.000 1.542 15 V CB -0.883 30.958 31.823 0.029 0.000 1.471 15 V HN 0.591 nan 8.190 nan 0.000 0.557 16 R N 2.208 122.709 120.500 0.002 0.000 2.449 16 R HA 0.417 4.749 4.340 -0.013 0.000 0.262 16 R C 0.907 177.198 176.300 -0.015 0.000 1.006 16 R CA 0.559 56.657 56.100 -0.003 0.000 1.104 16 R CB 0.070 30.365 30.300 -0.009 0.000 1.206 16 R HN 0.713 nan 8.270 nan 0.000 0.538 17 G N 0.709 109.500 108.800 -0.015 0.000 2.631 17 G HA2 -0.204 3.748 3.960 -0.013 0.000 0.504 17 G HA3 -0.204 3.748 3.960 -0.013 0.000 0.504 17 G C -1.097 173.788 174.900 -0.026 0.000 1.306 17 G CA -1.066 44.018 45.100 -0.028 0.000 0.897 17 G HN 0.030 nan 8.290 nan 0.000 0.520 18 L N 0.572 121.777 121.223 -0.029 0.000 2.334 18 L HA 0.707 5.040 4.340 -0.013 0.000 0.277 18 L C 1.299 178.154 176.870 -0.026 0.000 1.075 18 L CA 0.171 54.997 54.840 -0.024 0.000 0.804 18 L CB 1.170 43.216 42.059 -0.021 0.000 1.174 18 L HN 1.539 nan 8.230 nan 0.000 0.438 19 A N 2.670 125.478 122.820 -0.022 0.000 3.175 19 A HA 0.559 4.872 4.320 -0.013 0.000 0.289 19 A C 0.806 178.384 177.584 -0.011 0.000 1.429 19 A CA -0.285 51.740 52.037 -0.019 0.000 1.155 19 A CB -0.726 18.260 19.000 -0.023 0.000 1.169 19 A HN 0.787 nan 8.150 nan 0.000 0.574 20 G N -0.278 108.516 108.800 -0.009 0.000 2.474 20 G HA2 0.289 4.241 3.960 -0.013 0.000 0.233 20 G HA3 0.289 4.241 3.960 -0.013 0.000 0.233 20 G C 1.018 175.922 174.900 0.005 0.000 1.278 20 G CA 0.082 45.181 45.100 -0.002 0.000 0.861 20 G HN 0.422 nan 8.290 nan 0.000 0.567 21 V N 1.851 121.769 119.914 0.008 0.000 2.261 21 V HA -0.151 3.962 4.120 -0.013 0.000 0.246 21 V C 2.693 178.798 176.094 0.018 0.000 1.047 21 V CA 2.363 64.670 62.300 0.012 0.000 1.015 21 V CB -0.694 31.136 31.823 0.011 0.000 0.642 21 V HN 0.760 nan 8.190 nan 0.000 0.446 22 E N 0.283 120.495 120.200 0.019 0.000 2.106 22 E HA -0.168 4.174 4.350 -0.013 0.000 0.192 22 E C 2.035 178.657 176.600 0.037 0.000 0.984 22 E CA 1.384 57.800 56.400 0.026 0.000 0.806 22 E CB -0.275 29.440 29.700 0.025 0.000 0.750 22 E HN 0.637 nan 8.360 nan 0.000 0.458 23 N N -1.283 117.437 118.700 0.034 0.000 2.376 23 N HA -0.060 4.672 4.740 -0.013 0.000 0.177 23 N C 1.334 176.872 175.510 0.046 0.000 1.024 23 N CA 0.380 53.458 53.050 0.046 0.000 0.893 23 N CB 0.358 38.860 38.487 0.026 0.000 0.980 23 N HN -0.048 nan 8.380 nan 0.000 0.439 24 V N -0.052 119.880 119.914 0.031 0.000 2.548 24 V HA -0.161 3.952 4.120 -0.013 0.000 0.249 24 V C 1.889 178.008 176.094 0.041 0.000 1.055 24 V CA 1.615 63.932 62.300 0.029 0.000 1.065 24 V CB -0.576 31.259 31.823 0.020 0.000 0.681 24 V HN 0.391 nan 8.190 nan 0.000 0.462 25 T N -0.422 114.157 114.554 0.041 0.000 2.737 25 T HA -0.188 4.155 4.350 -0.013 0.000 0.265 25 T C 1.899 176.637 174.700 0.064 0.000 1.038 25 T CA 1.650 63.777 62.100 0.045 0.000 1.144 25 T CB -0.149 68.741 68.868 0.036 0.000 0.866 25 T HN 0.489 nan 8.240 nan 0.000 0.434 26 E N 0.875 121.119 120.200 0.074 0.000 2.077 26 E HA -0.107 4.236 4.350 -0.013 0.000 0.193 26 E C 1.934 178.616 176.600 0.136 0.000 0.989 26 E CA 0.828 57.286 56.400 0.097 0.000 0.800 26 E CB -0.518 29.247 29.700 0.107 0.000 0.746 26 E HN 0.155 nan 8.360 nan 0.000 0.452 27 L N 0.949 122.259 121.223 0.145 0.000 1.989 27 L HA -0.145 4.188 4.340 -0.013 0.000 0.211 27 L C 2.182 179.166 176.870 0.189 0.000 1.071 27 L CA 1.892 56.843 54.840 0.185 0.000 0.749 27 L CB -0.885 41.251 42.059 0.127 0.000 0.890 27 L HN 0.109 nan 8.230 nan 0.000 0.431 28 K N -0.173 120.300 120.400 0.122 0.000 2.074 28 K HA -0.228 4.084 4.320 -0.013 0.000 0.209 28 K C 1.941 178.651 176.600 0.184 0.000 1.048 28 K CA 1.977 58.333 56.287 0.115 0.000 0.926 28 K CB -0.115 32.412 32.500 0.045 0.000 0.713 28 K HN 0.440 nan 8.250 nan 0.000 0.444 29 K N 0.101 120.587 120.400 0.145 0.000 2.155 29 K HA -0.020 4.292 4.320 -0.013 0.000 0.203 29 K C 1.560 178.257 176.600 0.162 0.000 1.052 29 K CA 1.165 57.533 56.287 0.135 0.000 0.948 29 K CB -0.086 32.467 32.500 0.087 0.000 0.728 29 K HN 0.059 nan 8.250 nan 0.000 0.448 30 N N 0.508 119.320 118.700 0.188 0.000 2.354 30 N HA -0.079 4.654 4.740 -0.013 0.000 0.179 30 N C 1.489 177.189 175.510 0.317 0.000 1.021 30 N CA 0.766 53.933 53.050 0.195 0.000 0.887 30 N CB -0.108 38.505 38.487 0.210 0.000 0.974 30 N HN 0.190 nan 8.380 nan 0.000 0.437 31 F N 2.499 122.565 119.950 0.194 0.000 2.146 31 F HA -0.016 4.503 4.527 -0.012 0.000 0.298 31 F C 1.977 177.897 175.800 0.201 0.000 1.096 31 F CA 1.138 59.264 58.000 0.211 0.000 1.275 31 F CB -0.116 38.973 39.000 0.148 0.000 1.008 31 F HN -0.064 nan 8.300 nan 0.000 0.480 32 N N 0.446 119.360 118.700 0.357 0.000 2.188 32 N HA -0.141 4.591 4.740 -0.013 0.000 0.184 32 N C 2.093 177.686 175.510 0.139 0.000 1.018 32 N CA 0.709 53.894 53.050 0.224 0.000 0.858 32 N CB -0.455 38.153 38.487 0.201 0.000 0.989 32 N HN 0.316 nan 8.380 nan 0.000 0.426 33 R N 0.614 121.199 120.500 0.140 0.000 2.080 33 R HA -0.122 4.211 4.340 -0.013 0.000 0.236 33 R C 1.803 178.179 176.300 0.127 0.000 1.137 33 R CA 1.557 57.761 56.100 0.175 0.000 0.943 33 R CB -0.465 29.828 30.300 -0.012 0.000 0.846 33 R HN 0.438 nan 8.270 nan 0.000 0.431 34 H N -0.255 118.862 119.070 0.078 0.000 2.387 34 H HA -0.137 4.412 4.556 -0.013 0.000 0.299 34 H C 1.815 177.083 175.328 -0.101 0.000 1.090 34 H CA 1.438 57.464 56.048 -0.036 0.000 1.332 34 H CB -0.014 29.692 29.762 -0.094 0.000 1.386 34 H HN 0.092 nan 8.280 nan 0.000 0.516 35 L N -0.150 121.059 121.223 -0.024 0.000 2.131 35 L HA -0.158 4.174 4.340 -0.013 0.000 0.210 35 L C 2.096 178.948 176.870 -0.030 0.000 1.092 35 L CA 1.766 56.558 54.840 -0.081 0.000 0.759 35 L CB -0.361 41.643 42.059 -0.091 0.000 0.903 35 L HN 0.288 nan 8.230 nan 0.000 0.435 36 H N -1.689 117.295 119.070 -0.143 0.000 2.284 36 H HA 0.004 4.553 4.556 -0.013 0.000 0.314 36 H C 1.809 176.914 175.328 -0.372 0.000 1.058 36 H CA 2.035 57.900 56.048 -0.305 0.000 1.394 36 H CB -0.373 29.112 29.762 -0.461 0.000 1.431 36 H HN 0.237 nan 8.280 nan 0.000 0.537 37 F N -0.102 119.823 119.950 -0.042 0.000 2.234 37 F HA -0.072 4.448 4.527 -0.013 0.000 0.299 37 F C 2.508 178.218 175.800 -0.150 0.000 1.087 37 F CA 1.547 59.467 58.000 -0.133 0.000 1.340 37 F CB -0.401 38.547 39.000 -0.088 0.000 1.031 37 F HN 0.214 nan 8.300 nan 0.000 0.500 38 T N -0.767 113.799 114.554 0.020 0.000 2.983 38 T HA 0.051 4.393 4.350 -0.013 0.000 0.250 38 T C 1.680 176.287 174.700 -0.155 0.000 1.037 38 T CA 0.537 62.586 62.100 -0.085 0.000 1.142 38 T CB -0.097 68.694 68.868 -0.129 0.000 0.876 38 T HN -0.041 nan 8.240 nan 0.000 0.455 39 L N 1.010 122.148 121.223 -0.142 0.000 2.477 39 L HA 0.299 4.632 4.340 -0.013 0.000 0.220 39 L C 0.648 177.423 176.870 -0.157 0.000 1.106 39 L CA 0.369 55.115 54.840 -0.156 0.000 0.851 39 L CB -0.518 41.462 42.059 -0.132 0.000 0.994 39 L HN 0.040 nan 8.230 nan 0.000 0.462 40 V N 0.328 120.130 119.914 -0.187 0.000 5.949 40 V HA -0.296 3.817 4.120 -0.013 0.000 0.287 40 V C 0.444 176.430 176.094 -0.179 0.000 0.603 40 V CA 0.814 62.973 62.300 -0.234 0.000 0.608 40 V CB -2.095 29.613 31.823 -0.191 0.000 0.259 40 V HN 0.390 nan 8.190 nan 0.000 0.742 41 K N 1.342 121.651 120.400 -0.153 0.000 2.466 41 K HA 0.707 5.020 4.320 -0.013 0.000 0.260 41 K C -0.671 175.907 176.600 -0.036 0.000 1.011 41 K CA -0.555 55.675 56.287 -0.095 0.000 0.871 41 K CB 2.836 35.276 32.500 -0.100 0.000 1.404 41 K HN 0.610 nan 8.250 nan 0.000 0.450 42 D N 0.301 120.698 120.400 -0.006 0.000 2.738 42 D HA 0.257 4.890 4.640 -0.013 0.000 0.237 42 D C 0.525 176.857 176.300 0.054 0.000 1.123 42 D CA -0.590 53.437 54.000 0.045 0.000 0.856 42 D CB 1.565 42.388 40.800 0.039 0.000 1.552 42 D HN 0.200 nan 8.370 nan 0.000 0.480 43 R N 1.299 121.861 120.500 0.103 0.000 2.228 43 R HA -0.175 4.157 4.340 -0.013 0.000 0.259 43 R C 1.057 177.431 176.300 0.123 0.000 1.183 43 R CA 1.094 57.291 56.100 0.163 0.000 1.002 43 R CB -0.745 29.653 30.300 0.163 0.000 0.879 43 R HN 0.603 nan 8.270 nan 0.000 0.467 44 N N 0.493 119.235 118.700 0.070 0.000 2.515 44 N HA -0.054 4.678 4.740 -0.013 0.000 0.185 44 N C 1.217 176.747 175.510 0.034 0.000 1.109 44 N CA 1.205 54.286 53.050 0.053 0.000 0.903 44 N CB 0.485 38.993 38.487 0.035 0.000 0.969 44 N HN 0.199 nan 8.380 nan 0.000 0.450 45 V N -3.107 116.816 119.914 0.014 0.000 3.382 45 V HA 0.456 4.568 4.120 -0.013 0.000 0.296 45 V C 0.652 176.715 176.094 -0.051 0.000 1.529 45 V CA -0.647 61.647 62.300 -0.010 0.000 1.048 45 V CB -0.104 31.709 31.823 -0.018 0.000 0.878 45 V HN 0.014 nan 8.190 nan 0.000 0.442 46 A N 2.049 124.816 122.820 -0.087 0.000 2.440 46 A HA 0.633 4.946 4.320 -0.013 0.000 0.251 46 A C 0.685 178.082 177.584 -0.311 0.000 1.089 46 A CA 0.786 52.652 52.037 -0.286 0.000 0.779 46 A CB 0.071 18.774 19.000 -0.496 0.000 1.022 46 A HN 0.756 nan 8.150 nan 0.000 0.492 47 T N 0.028 114.401 114.554 -0.303 0.000 2.949 47 T HA 0.598 4.940 4.350 -0.013 0.000 0.287 47 T C -2.160 172.469 174.700 -0.120 0.000 1.034 47 T CA -1.846 60.180 62.100 -0.123 0.000 1.018 47 T CB 1.363 70.216 68.868 -0.024 0.000 1.135 47 T HN 0.231 nan 8.240 nan 0.000 0.532 48 P HA -0.124 nan 4.420 nan 0.000 0.217 48 P C 1.568 178.998 177.300 0.217 0.000 1.151 48 P CA 1.057 64.315 63.100 0.264 0.000 0.849 48 P CB 0.044 31.855 31.700 0.186 0.000 0.787 49 R N -0.107 120.473 120.500 0.133 0.000 2.096 49 R HA -0.134 4.198 4.340 -0.013 0.000 0.235 49 R C 1.685 178.180 176.300 0.325 0.000 1.127 49 R CA 1.722 57.945 56.100 0.206 0.000 0.968 49 R CB -0.603 29.774 30.300 0.128 0.000 0.861 49 R HN 0.121 nan 8.270 nan 0.000 0.440 50 D N -0.449 120.018 120.400 0.112 0.000 2.117 50 D HA -0.173 4.459 4.640 -0.013 0.000 0.198 50 D C 1.684 178.021 176.300 0.061 0.000 0.982 50 D CA 1.223 55.245 54.000 0.037 0.000 0.828 50 D CB -0.274 40.399 40.800 -0.212 0.000 0.967 50 D HN 0.283 nan 8.370 nan 0.000 0.464 51 Y N 0.322 120.741 120.300 0.198 0.000 2.224 51 Y HA -0.221 4.321 4.550 -0.012 0.000 0.289 51 Y C 2.341 178.392 175.900 0.252 0.000 1.146 51 Y CA 0.348 58.613 58.100 0.275 0.000 1.182 51 Y CB -1.139 37.539 38.460 0.363 0.000 0.983 51 Y HN 0.101 nan 8.280 nan 0.000 0.524 52 Y N -0.555 119.904 120.300 0.264 0.000 2.181 52 Y HA -0.268 4.274 4.550 -0.013 0.000 0.288 52 Y C 1.900 177.782 175.900 -0.029 0.000 1.146 52 Y CA 1.207 59.355 58.100 0.081 0.000 1.164 52 Y CB -1.105 37.296 38.460 -0.098 0.000 0.982 52 Y HN 0.026 nan 8.280 nan 0.000 0.515 53 F N 0.301 119.985 119.950 -0.443 0.000 2.186 53 F HA -0.062 4.458 4.527 -0.012 0.000 0.299 53 F C 2.665 178.281 175.800 -0.307 0.000 1.090 53 F CA 1.348 59.034 58.000 -0.525 0.000 1.307 53 F CB -1.071 37.823 39.000 -0.177 0.000 1.019 53 F HN 0.188 nan 8.300 nan 0.000 0.489 54 A N -0.092 122.674 122.820 -0.090 0.000 1.883 54 A HA -0.200 4.112 4.320 -0.013 0.000 0.217 54 A C 2.120 179.592 177.584 -0.186 0.000 1.186 54 A CA 1.781 53.645 52.037 -0.288 0.000 0.624 54 A CB -1.106 17.342 19.000 -0.921 0.000 0.822 54 A HN 0.343 nan 8.150 nan 0.000 0.444 55 L N -0.313 120.919 121.223 0.014 0.000 2.027 55 L HA -0.011 4.321 4.340 -0.013 0.000 0.206 55 L C 2.720 179.579 176.870 -0.017 0.000 1.074 55 L CA 2.221 57.194 54.840 0.222 0.000 0.745 55 L CB -1.008 41.251 42.059 0.333 0.000 0.898 55 L HN 0.353 nan 8.230 nan 0.000 0.433 56 A N -1.111 121.529 122.820 -0.300 0.000 1.892 56 A HA -0.326 3.987 4.320 -0.013 0.000 0.218 56 A C 2.184 179.435 177.584 -0.554 0.000 1.188 56 A CA 2.241 53.989 52.037 -0.481 0.000 0.631 56 A CB -1.233 17.147 19.000 -1.032 0.000 0.822 56 A HN 0.703 nan 8.150 nan 0.000 0.447 57 H N -0.917 117.850 119.070 -0.504 0.000 2.421 57 H HA -0.053 4.496 4.556 -0.013 0.000 0.298 57 H C 2.322 177.333 175.328 -0.529 0.000 1.087 57 H CA 1.916 57.587 56.048 -0.628 0.000 1.330 57 H CB -0.049 29.135 29.762 -0.964 0.000 1.388 57 H HN 0.507 nan 8.280 nan 0.000 0.526 58 T N -0.537 113.913 114.554 -0.174 0.000 2.777 58 T HA -0.110 4.232 4.350 -0.013 0.000 0.266 58 T C 2.245 177.092 174.700 0.244 0.000 1.040 58 T CA 1.213 63.397 62.100 0.139 0.000 1.141 58 T CB -0.338 68.704 68.868 0.289 0.000 0.868 58 T HN 0.096 nan 8.240 nan 0.000 0.444 59 V N 1.733 121.773 119.914 0.210 0.000 2.358 59 V HA -0.108 4.004 4.120 -0.013 0.000 0.246 59 V C 2.643 178.923 176.094 0.311 0.000 1.047 59 V CA 1.509 63.987 62.300 0.298 0.000 1.035 59 V CB -0.632 31.367 31.823 0.293 0.000 0.658 59 V HN 0.378 nan 8.190 nan 0.000 0.452 60 R N 0.155 120.786 120.500 0.217 0.000 2.120 60 R HA -0.208 4.124 4.340 -0.013 0.000 0.234 60 R C 1.889 178.292 176.300 0.172 0.000 1.123 60 R CA 1.907 58.140 56.100 0.222 0.000 0.975 60 R CB -0.391 29.881 30.300 -0.047 0.000 0.866 60 R HN 0.465 nan 8.270 nan 0.000 0.446 61 D N 0.052 120.528 120.400 0.127 0.000 2.123 61 D HA -0.164 4.469 4.640 -0.013 0.000 0.196 61 D C 1.710 178.019 176.300 0.016 0.000 0.992 61 D CA 1.131 55.172 54.000 0.068 0.000 0.833 61 D CB -0.404 40.412 40.800 0.027 0.000 0.954 61 D HN 0.438 nan 8.370 nan 0.000 0.455 62 H N -0.153 118.982 119.070 0.109 0.000 2.518 62 H HA -0.027 4.522 4.556 -0.012 0.000 0.289 62 H C 1.907 177.277 175.328 0.071 0.000 1.051 62 H CA 0.682 56.779 56.048 0.082 0.000 1.280 62 H CB 0.280 30.081 29.762 0.066 0.000 1.380 62 H HN 0.275 nan 8.280 nan 0.000 0.566 63 L N -1.499 119.831 121.223 0.179 0.000 2.766 63 L HA 0.181 4.513 4.340 -0.013 0.000 0.242 63 L C 1.844 178.821 176.870 0.179 0.000 1.136 63 L CA -0.037 54.878 54.840 0.124 0.000 0.933 63 L CB 0.028 42.114 42.059 0.044 0.000 1.241 63 L HN -0.123 nan 8.230 nan 0.000 0.522 64 V N -2.301 117.742 119.914 0.215 0.000 2.407 64 V HA 0.121 4.233 4.120 -0.013 0.000 0.245 64 V C 2.530 178.751 176.094 0.213 0.000 1.041 64 V CA 1.477 63.959 62.300 0.303 0.000 1.040 64 V CB -1.651 30.311 31.823 0.233 0.000 0.671 64 V HN 0.342 nan 8.190 nan 0.000 0.455 65 G N 0.329 109.205 108.800 0.127 0.000 2.476 65 G HA2 -0.262 3.690 3.960 -0.013 0.000 0.218 65 G HA3 -0.262 3.690 3.960 -0.013 0.000 0.218 65 G C 1.812 176.765 174.900 0.088 0.000 1.164 65 G CA 1.122 46.270 45.100 0.081 0.000 0.768 65 G HN 0.497 nan 8.290 nan 0.000 0.560 66 R N -1.526 119.034 120.500 0.100 0.000 2.090 66 R HA -0.047 4.286 4.340 -0.013 0.000 0.228 66 R C 2.253 178.636 176.300 0.137 0.000 1.110 66 R CA 0.944 57.089 56.100 0.075 0.000 0.973 66 R CB -0.332 29.994 30.300 0.043 0.000 0.869 66 R HN 0.484 nan 8.270 nan 0.000 0.440 67 W N 1.469 122.751 121.300 -0.029 0.000 2.358 67 W HA -0.109 4.543 4.660 -0.012 0.000 0.303 67 W C 1.642 178.135 176.519 -0.044 0.000 1.208 67 W CA 1.032 58.356 57.345 -0.034 0.000 1.274 67 W CB -0.589 28.871 29.460 0.000 0.000 1.138 67 W HN -0.015 nan 8.180 nan 0.000 0.515 68 I N 0.845 121.485 120.570 0.117 0.000 2.252 68 I HA -0.336 3.827 4.170 -0.013 0.000 0.245 68 I C 2.641 178.747 176.117 -0.018 0.000 1.102 68 I CA 1.783 63.062 61.300 -0.034 0.000 1.385 68 I CB -0.454 37.530 38.000 -0.027 0.000 1.064 68 I HN -0.049 nan 8.210 nan 0.000 0.414 69 R N -0.120 120.385 120.500 0.007 0.000 2.115 69 R HA -0.052 4.280 4.340 -0.013 0.000 0.226 69 R C 2.050 178.321 176.300 -0.048 0.000 1.100 69 R CA 1.594 57.691 56.100 -0.004 0.000 0.980 69 R CB -1.247 29.052 30.300 -0.001 0.000 0.875 69 R HN 0.246 nan 8.270 nan 0.000 0.445 70 T N 1.695 116.189 114.554 -0.099 0.000 2.674 70 T HA -0.125 4.218 4.350 -0.013 0.000 0.265 70 T C 1.885 176.305 174.700 -0.466 0.000 1.039 70 T CA 1.278 63.193 62.100 -0.309 0.000 1.150 70 T CB -0.137 68.585 68.868 -0.244 0.000 0.864 70 T HN 0.186 nan 8.240 nan 0.000 0.427 71 Q N 0.783 120.460 119.800 -0.206 0.000 2.084 71 Q HA -0.109 4.223 4.340 -0.013 0.000 0.202 71 Q C 2.388 178.405 176.000 0.028 0.000 0.978 71 Q CA 1.421 57.181 55.803 -0.071 0.000 0.844 71 Q CB -0.598 28.124 28.738 -0.027 0.000 0.898 71 Q HN 0.479 nan 8.270 nan 0.000 0.426 72 Q N 0.087 119.897 119.800 0.017 0.000 2.084 72 Q HA -0.183 4.150 4.340 -0.013 0.000 0.202 72 Q C 1.898 177.995 176.000 0.162 0.000 0.978 72 Q CA 2.038 57.898 55.803 0.096 0.000 0.844 72 Q CB -0.482 28.291 28.738 0.058 0.000 0.898 72 Q HN 0.576 nan 8.270 nan 0.000 0.426 73 H N -0.884 118.174 119.070 -0.020 0.000 2.265 73 H HA -0.209 4.340 4.556 -0.012 0.000 0.295 73 H C 1.306 176.721 175.328 0.144 0.000 1.084 73 H CA 2.538 58.588 56.048 0.003 0.000 1.261 73 H CB -0.427 29.265 29.762 -0.116 0.000 1.360 73 H HN 0.367 nan 8.280 nan 0.000 0.487 74 Y N -0.972 119.436 120.300 0.180 0.000 2.315 74 Y HA -0.228 4.314 4.550 -0.013 0.000 0.288 74 Y C 2.445 178.403 175.900 0.096 0.000 1.154 74 Y CA 1.070 59.240 58.100 0.116 0.000 1.229 74 Y CB -1.320 37.247 38.460 0.178 0.000 0.980 74 Y HN 0.423 nan 8.280 nan 0.000 0.540 75 Y N 1.063 121.464 120.300 0.169 0.000 2.263 75 Y HA -0.125 4.417 4.550 -0.013 0.000 0.292 75 Y C 2.041 177.963 175.900 0.036 0.000 1.130 75 Y CA 1.462 59.620 58.100 0.097 0.000 1.179 75 Y CB -0.064 38.437 38.460 0.068 0.000 0.998 75 Y HN 0.040 nan 8.280 nan 0.000 0.532 76 E N 0.300 120.444 120.200 -0.093 0.000 2.016 76 E HA -0.144 4.198 4.350 -0.013 0.000 0.190 76 E C 1.974 178.447 176.600 -0.212 0.000 0.985 76 E CA 1.087 57.365 56.400 -0.203 0.000 0.802 76 E CB -0.205 29.435 29.700 -0.101 0.000 0.762 76 E HN 0.336 nan 8.360 nan 0.000 0.448 77 K N 0.880 121.151 120.400 -0.214 0.000 2.148 77 K HA -0.102 4.210 4.320 -0.013 0.000 0.204 77 K C 0.205 176.753 176.600 -0.087 0.000 1.050 77 K CA 0.654 56.840 56.287 -0.167 0.000 0.942 77 K CB -0.540 31.820 32.500 -0.234 0.000 0.724 77 K HN 0.125 nan 8.250 nan 0.000 0.446 78 D N 0.451 120.818 120.400 -0.054 0.000 2.812 78 D HA -0.102 4.530 4.640 -0.013 0.000 0.237 78 D C -2.394 173.914 176.300 0.013 0.000 1.162 78 D CA 0.110 54.105 54.000 -0.009 0.000 0.740 78 D CB -0.181 40.594 40.800 -0.042 0.000 1.000 78 D HN 0.169 nan 8.370 nan 0.000 0.416 79 P HA 0.192 nan 4.420 nan 0.000 0.281 79 P C -0.363 176.915 177.300 -0.037 0.000 1.281 79 P CA -0.779 62.310 63.100 -0.019 0.000 0.811 79 P CB 0.647 32.321 31.700 -0.042 0.000 1.154 80 K N 1.012 121.386 120.400 -0.043 0.000 2.412 80 K HA 0.071 4.383 4.320 -0.013 0.000 0.281 80 K C -0.175 176.338 176.600 -0.146 0.000 1.027 80 K CA -0.055 56.191 56.287 -0.068 0.000 0.989 80 K CB 0.204 32.677 32.500 -0.045 0.000 0.935 80 K HN 0.225 nan 8.250 nan 0.000 0.475 81 R N 3.732 124.121 120.500 -0.185 0.000 2.349 81 R HA 0.343 4.675 4.340 -0.013 0.000 0.299 81 R C -0.512 175.490 176.300 -0.497 0.000 1.027 81 R CA -0.433 55.474 56.100 -0.321 0.000 0.958 81 R CB 0.814 30.913 30.300 -0.335 0.000 1.047 81 R HN 0.519 nan 8.270 nan 0.000 0.468 82 I N 4.357 124.599 120.570 -0.548 0.000 2.339 82 I HA 0.228 4.390 4.170 -0.013 0.000 0.290 82 I C -0.696 175.130 176.117 -0.485 0.000 0.994 82 I CA -0.755 60.175 61.300 -0.618 0.000 1.191 82 I CB 0.942 38.461 38.000 -0.801 0.000 1.343 82 I HN 0.527 nan 8.210 nan 0.000 0.458 83 Y N 5.707 125.970 120.300 -0.061 0.000 2.402 83 Y HA 0.274 4.817 4.550 -0.012 0.000 0.332 83 Y C -0.245 175.762 175.900 0.178 0.000 0.960 83 Y CA -0.798 57.394 58.100 0.153 0.000 1.228 83 Y CB 1.002 39.509 38.460 0.079 0.000 1.120 83 Y HN 0.399 nan 8.280 nan 0.000 0.491 84 Y N 4.555 125.046 120.300 0.319 0.000 2.595 84 Y HA 0.424 4.966 4.550 -0.012 0.000 0.347 84 Y C -0.992 175.180 175.900 0.454 0.000 1.025 84 Y CA -0.853 57.442 58.100 0.326 0.000 1.295 84 Y CB 0.104 38.763 38.460 0.332 0.000 1.147 84 Y HN 0.510 nan 8.280 nan 0.000 0.515 85 L N 4.883 126.179 121.223 0.120 0.000 2.281 85 L HA 0.431 4.763 4.340 -0.013 0.000 0.285 85 L C -0.100 176.788 176.870 0.031 0.000 1.074 85 L CA 0.261 55.213 54.840 0.186 0.000 0.817 85 L CB 1.158 43.283 42.059 0.111 0.000 1.168 85 L HN 0.578 nan 8.230 nan 0.000 0.434 86 S N 2.780 118.588 115.700 0.181 0.000 2.533 86 S HA 0.463 4.926 4.470 -0.013 0.000 0.271 86 S C 0.023 174.724 174.600 0.168 0.000 1.143 86 S CA -0.581 57.625 58.200 0.011 0.000 0.891 86 S CB 0.955 63.943 63.200 -0.352 0.000 1.105 86 S HN 0.450 nan 8.310 nan 0.000 0.468 87 L N 2.673 124.026 121.223 0.216 0.000 2.591 87 L HA 0.493 4.826 4.340 -0.013 0.000 0.228 87 L C 0.342 177.406 176.870 0.322 0.000 1.133 87 L CA 0.903 55.930 54.840 0.313 0.000 0.880 87 L CB -0.146 42.095 42.059 0.303 0.000 1.033 87 L HN 0.677 nan 8.230 nan 0.000 0.450 88 E N -1.400 118.868 120.200 0.113 0.000 2.308 88 E HA 0.408 4.750 4.350 -0.013 0.000 0.275 88 E C -1.457 175.034 176.600 -0.180 0.000 0.890 88 E CA -0.458 55.993 56.400 0.085 0.000 0.754 88 E CB 1.910 31.633 29.700 0.038 0.000 1.207 88 E HN -0.184 nan 8.360 nan 0.000 0.426 89 F N 2.248 122.295 119.950 0.162 0.000 3.034 89 F HA 0.174 4.693 4.527 -0.013 0.000 0.371 89 F C -0.982 174.899 175.800 0.134 0.000 1.233 89 F CA -0.649 57.440 58.000 0.149 0.000 1.134 89 F CB 0.854 39.937 39.000 0.138 0.000 1.495 89 F HN 0.472 nan 8.300 nan 0.000 0.563 90 Y N 5.146 125.523 120.300 0.127 0.000 2.568 90 Y HA 0.179 4.722 4.550 -0.012 0.000 0.338 90 Y C 1.106 177.029 175.900 0.038 0.000 1.245 90 Y CA -0.841 57.286 58.100 0.044 0.000 1.667 90 Y CB 0.327 38.794 38.460 0.012 0.000 1.568 90 Y HN 0.511 nan 8.280 nan 0.000 0.471 91 M N 1.505 121.245 119.600 0.234 0.000 2.288 91 M HA 0.115 4.588 4.480 -0.013 0.000 0.266 91 M C 1.527 177.809 176.300 -0.029 0.000 1.072 91 M CA 1.053 56.396 55.300 0.071 0.000 1.132 91 M CB -1.230 31.387 32.600 0.029 0.000 1.386 91 M HN 0.664 nan 8.290 nan 0.000 0.432 92 G N 1.244 110.041 108.800 -0.006 0.000 2.645 92 G HA2 -0.272 3.681 3.960 -0.013 0.000 0.239 92 G HA3 -0.272 3.681 3.960 -0.013 0.000 0.239 92 G C -0.440 174.420 174.900 -0.067 0.000 1.331 92 G CA -0.340 44.714 45.100 -0.077 0.000 0.890 92 G HN 0.458 nan 8.290 nan 0.000 0.572 93 R N -0.596 119.847 120.500 -0.095 0.000 2.641 93 R HA 0.529 4.862 4.340 -0.013 0.000 0.269 93 R C 1.564 177.757 176.300 -0.179 0.000 1.074 93 R CA 0.533 56.585 56.100 -0.079 0.000 1.133 93 R CB 0.677 30.930 30.300 -0.077 0.000 1.029 93 R HN 0.906 nan 8.270 nan 0.000 0.488 94 T N -0.134 114.265 114.554 -0.258 0.000 3.058 94 T HA 0.051 4.393 4.350 -0.013 0.000 0.278 94 T C 1.114 175.429 174.700 -0.641 0.000 0.974 94 T CA -0.281 61.488 62.100 -0.552 0.000 0.893 94 T CB 0.195 68.522 68.868 -0.902 0.000 1.138 94 T HN 0.344 nan 8.240 nan 0.000 0.529 95 L N 1.725 122.811 121.223 -0.228 0.000 1.988 95 L HA 0.196 4.528 4.340 -0.013 0.000 0.207 95 L C 2.609 179.445 176.870 -0.056 0.000 1.071 95 L CA 2.200 57.049 54.840 0.015 0.000 0.744 95 L CB -0.872 41.401 42.059 0.357 0.000 0.893 95 L HN 0.385 nan 8.230 nan 0.000 0.433 96 Q N -0.566 119.200 119.800 -0.055 0.000 2.050 96 Q HA -0.268 4.065 4.340 -0.013 0.000 0.202 96 Q C 2.238 178.169 176.000 -0.115 0.000 0.980 96 Q CA 2.009 57.773 55.803 -0.065 0.000 0.840 96 Q CB -0.383 28.313 28.738 -0.070 0.000 0.898 96 Q HN 0.698 nan 8.270 nan 0.000 0.424 97 N N -1.041 117.553 118.700 -0.177 0.000 2.137 97 N HA -0.163 4.569 4.740 -0.013 0.000 0.190 97 N C 1.350 176.757 175.510 -0.172 0.000 1.017 97 N CA 1.866 54.801 53.050 -0.191 0.000 0.859 97 N CB 0.014 38.352 38.487 -0.248 0.000 1.002 97 N HN 0.250 nan 8.380 nan 0.000 0.428 98 T N 1.112 115.532 114.554 -0.223 0.000 2.821 98 T HA -0.030 4.313 4.350 -0.013 0.000 0.267 98 T C 2.047 176.686 174.700 -0.102 0.000 1.046 98 T CA 0.943 62.927 62.100 -0.194 0.000 1.139 98 T CB -0.024 68.682 68.868 -0.270 0.000 0.871 98 T HN 0.271 nan 8.240 nan 0.000 0.454 99 M N 0.512 120.068 119.600 -0.073 0.000 2.099 99 M HA -0.075 4.397 4.480 -0.013 0.000 0.262 99 M C 2.479 178.747 176.300 -0.054 0.000 1.067 99 M CA 1.255 56.526 55.300 -0.048 0.000 1.124 99 M CB -0.605 31.982 32.600 -0.022 0.000 1.353 99 M HN 0.090 nan 8.290 nan 0.000 0.410 100 V N 0.992 120.880 119.914 -0.044 0.000 2.287 100 V HA -0.273 3.839 4.120 -0.013 0.000 0.248 100 V C 1.759 177.864 176.094 0.018 0.000 1.053 100 V CA 1.900 64.199 62.300 -0.001 0.000 1.027 100 V CB -0.861 30.963 31.823 0.002 0.000 0.646 100 V HN 0.473 nan 8.190 nan 0.000 0.447 101 N N -0.455 118.241 118.700 -0.007 0.000 2.512 101 N HA -0.031 4.701 4.740 -0.013 0.000 0.183 101 N C 1.002 176.408 175.510 -0.174 0.000 1.073 101 N CA 0.660 53.682 53.050 -0.047 0.000 0.911 101 N CB 0.012 38.485 38.487 -0.024 0.000 0.964 101 N HN 0.282 nan 8.380 nan 0.000 0.447 102 L N -0.421 120.722 121.223 -0.133 0.000 2.766 102 L HA 0.422 4.754 4.340 -0.013 0.000 0.242 102 L C 0.480 177.267 176.870 -0.138 0.000 1.136 102 L CA -0.285 54.477 54.840 -0.131 0.000 0.933 102 L CB -0.686 41.322 42.059 -0.086 0.000 1.241 102 L HN 0.074 nan 8.230 nan 0.000 0.522 103 A N -0.418 122.319 122.820 -0.138 0.000 2.846 103 A HA -0.219 4.094 4.320 -0.013 0.000 0.287 103 A C 1.043 178.570 177.584 -0.095 0.000 1.469 103 A CA 0.990 52.959 52.037 -0.112 0.000 0.757 103 A CB -1.928 16.994 19.000 -0.130 0.000 1.033 103 A HN 0.222 nan 8.150 nan 0.000 0.516 104 L N -0.937 120.231 121.223 -0.092 0.000 2.664 104 L HA 0.252 4.584 4.340 -0.013 0.000 0.233 104 L C 1.842 178.676 176.870 -0.060 0.000 1.113 104 L CA 1.548 56.327 54.840 -0.100 0.000 0.896 104 L CB -0.261 41.715 42.059 -0.137 0.000 1.163 104 L HN 0.620 nan 8.230 nan 0.000 0.497 105 E N -0.138 120.036 120.200 -0.042 0.000 2.070 105 E HA -0.259 4.083 4.350 -0.013 0.000 0.197 105 E C 1.628 178.215 176.600 -0.021 0.000 1.004 105 E CA 1.629 58.015 56.400 -0.024 0.000 0.805 105 E CB 0.249 29.937 29.700 -0.019 0.000 0.744 105 E HN 0.392 nan 8.360 nan 0.000 0.451 106 N N -0.298 118.386 118.700 -0.027 0.000 2.171 106 N HA -0.060 4.672 4.740 -0.013 0.000 0.184 106 N C 1.519 177.014 175.510 -0.026 0.000 1.021 106 N CA 1.197 54.231 53.050 -0.028 0.000 0.854 106 N CB -0.388 38.082 38.487 -0.029 0.000 0.994 106 N HN 0.226 nan 8.380 nan 0.000 0.426 107 A N 0.359 123.161 122.820 -0.030 0.000 1.908 107 A HA -0.164 4.149 4.320 -0.013 0.000 0.218 107 A C 2.642 180.218 177.584 -0.013 0.000 1.181 107 A CA 1.429 53.452 52.037 -0.025 0.000 0.627 107 A CB -1.067 17.909 19.000 -0.040 0.000 0.818 107 A HN 0.441 nan 8.150 nan 0.000 0.445 108 C N -0.971 118.321 119.300 -0.013 0.000 2.440 108 C HA -0.064 4.388 4.460 -0.013 0.000 0.278 108 C C 2.487 177.479 174.990 0.004 0.000 1.295 108 C CA 1.054 60.075 59.018 0.005 0.000 1.738 108 C CB -1.080 26.674 27.740 0.022 0.000 1.987 108 C HN 0.665 nan 8.230 nan 0.000 0.492 109 D N 0.608 121.009 120.400 0.002 0.000 2.097 109 D HA -0.140 4.492 4.640 -0.013 0.000 0.195 109 D C 2.110 178.424 176.300 0.024 0.000 0.989 109 D CA 1.559 55.563 54.000 0.008 0.000 0.827 109 D CB -0.253 40.540 40.800 -0.011 0.000 0.966 109 D HN 0.486 nan 8.370 nan 0.000 0.456 110 E N 0.578 120.781 120.200 0.006 0.000 2.007 110 E HA -0.107 4.235 4.350 -0.013 0.000 0.194 110 E C 1.937 178.582 176.600 0.074 0.000 0.999 110 E CA 1.881 58.300 56.400 0.031 0.000 0.811 110 E CB -0.697 29.004 29.700 0.003 0.000 0.762 110 E HN 0.174 nan 8.360 nan 0.000 0.450 111 A N -0.118 122.712 122.820 0.018 0.000 1.903 111 A HA -0.281 4.032 4.320 -0.013 0.000 0.219 111 A C 2.533 180.057 177.584 -0.100 0.000 1.191 111 A CA 3.424 55.447 52.037 -0.024 0.000 0.638 111 A CB -1.713 17.273 19.000 -0.023 0.000 0.823 111 A HN 0.566 nan 8.150 nan 0.000 0.451 112 T N -3.847 110.634 114.554 -0.121 0.000 2.915 112 T HA -0.204 4.138 4.350 -0.013 0.000 0.269 112 T C 1.789 176.406 174.700 -0.139 0.000 1.071 112 T CA 1.537 63.500 62.100 -0.229 0.000 1.132 112 T CB -0.529 68.242 68.868 -0.161 0.000 0.878 112 T HN 0.514 nan 8.240 nan 0.000 0.479 113 Y N 2.006 122.227 120.300 -0.132 0.000 2.163 113 Y HA -0.040 4.502 4.550 -0.012 0.000 0.288 113 Y C 2.658 178.497 175.900 -0.101 0.000 1.136 113 Y CA 1.469 59.511 58.100 -0.097 0.000 1.147 113 Y CB -0.471 37.951 38.460 -0.063 0.000 0.987 113 Y HN 0.203 nan 8.280 nan 0.000 0.509 114 Q N -0.790 118.971 119.800 -0.065 0.000 2.291 114 Q HA -0.130 4.203 4.340 -0.013 0.000 0.206 114 Q C 1.478 177.360 176.000 -0.197 0.000 0.976 114 Q CA 0.853 56.577 55.803 -0.131 0.000 0.875 114 Q CB -0.056 28.675 28.738 -0.011 0.000 0.927 114 Q HN 0.355 nan 8.270 nan 0.000 0.450 115 L N -0.873 120.211 121.223 -0.232 0.000 2.591 115 L HA 0.134 4.466 4.340 -0.013 0.000 0.228 115 L C 1.098 177.799 176.870 -0.282 0.000 1.133 115 L CA 1.207 55.890 54.840 -0.262 0.000 0.880 115 L CB -0.455 41.355 42.059 -0.416 0.000 1.033 115 L HN 0.319 nan 8.230 nan 0.000 0.450 116 G N -0.062 108.550 108.800 -0.312 0.000 2.160 116 G HA2 -0.253 3.699 3.960 -0.013 0.000 0.244 116 G HA3 -0.253 3.699 3.960 -0.013 0.000 0.244 116 G C 0.064 174.810 174.900 -0.257 0.000 1.022 116 G CA 0.413 45.332 45.100 -0.303 0.000 0.741 116 G HN 0.311 nan 8.290 nan 0.000 0.508 117 L N -0.514 120.557 121.223 -0.252 0.000 2.341 117 L HA 0.644 4.976 4.340 -0.013 0.000 0.267 117 L C -0.497 176.329 176.870 -0.072 0.000 1.009 117 L CA -1.243 53.485 54.840 -0.187 0.000 0.819 117 L CB 1.836 43.726 42.059 -0.282 0.000 1.323 117 L HN 0.067 nan 8.230 nan 0.000 0.425 118 D N 1.655 122.047 120.400 -0.014 0.000 2.359 118 D HA 0.181 4.814 4.640 -0.013 0.000 0.230 118 D C 0.613 176.942 176.300 0.048 0.000 1.118 118 D CA -0.270 53.752 54.000 0.037 0.000 0.844 118 D CB 1.560 42.388 40.800 0.046 0.000 1.059 118 D HN 0.529 nan 8.370 nan 0.000 0.493 119 M N 3.307 122.937 119.600 0.051 0.000 2.108 119 M HA -0.165 4.307 4.480 -0.013 0.000 0.261 119 M C 1.453 177.796 176.300 0.071 0.000 1.066 119 M CA 1.598 56.936 55.300 0.064 0.000 1.107 119 M CB 0.158 32.789 32.600 0.053 0.000 1.356 119 M HN 0.424 nan 8.290 nan 0.000 0.406 120 E N -0.279 119.955 120.200 0.057 0.000 2.110 120 E HA -0.269 4.073 4.350 -0.013 0.000 0.193 120 E C 1.881 178.515 176.600 0.056 0.000 0.988 120 E CA 1.505 57.936 56.400 0.052 0.000 0.804 120 E CB -0.172 29.558 29.700 0.049 0.000 0.745 120 E HN 0.645 nan 8.360 nan 0.000 0.458 121 E N 0.229 120.466 120.200 0.062 0.000 2.150 121 E HA -0.183 4.159 4.350 -0.013 0.000 0.193 121 E C 1.847 178.489 176.600 0.069 0.000 0.985 121 E CA 0.501 56.938 56.400 0.061 0.000 0.814 121 E CB 0.207 29.945 29.700 0.064 0.000 0.752 121 E HN 0.081 nan 8.360 nan 0.000 0.466 122 L N 1.086 122.370 121.223 0.102 0.000 2.156 122 L HA -0.065 4.268 4.340 -0.013 0.000 0.208 122 L C 1.986 178.906 176.870 0.083 0.000 1.095 122 L CA 1.495 56.426 54.840 0.151 0.000 0.770 122 L CB -0.445 41.760 42.059 0.243 0.000 0.914 122 L HN 0.091 nan 8.230 nan 0.000 0.439 123 E N -0.681 119.559 120.200 0.066 0.000 2.150 123 E HA -0.179 4.163 4.350 -0.013 0.000 0.193 123 E C 1.741 178.294 176.600 -0.077 0.000 0.985 123 E CA 0.636 57.043 56.400 0.013 0.000 0.814 123 E CB 0.115 29.834 29.700 0.031 0.000 0.752 123 E HN 0.333 nan 8.360 nan 0.000 0.466 124 E N 0.079 120.253 120.200 -0.043 0.000 2.418 124 E HA -0.101 4.241 4.350 -0.013 0.000 0.197 124 E C 1.673 178.207 176.600 -0.110 0.000 1.026 124 E CA 0.531 56.907 56.400 -0.041 0.000 0.862 124 E CB 0.106 29.815 29.700 0.015 0.000 0.799 124 E HN 0.398 nan 8.360 nan 0.000 0.518 125 I N 0.648 121.091 120.570 -0.212 0.000 2.876 125 I HA -0.076 4.087 4.170 -0.013 0.000 0.264 125 I C 1.243 177.050 176.117 -0.517 0.000 1.204 125 I CA 0.130 61.244 61.300 -0.311 0.000 1.485 125 I CB 0.218 38.053 38.000 -0.275 0.000 1.103 125 I HN -0.057 nan 8.210 nan 0.000 0.446 126 E N 2.513 122.302 120.200 -0.684 0.000 2.366 126 E HA -0.044 4.298 4.350 -0.013 0.000 0.266 126 E C 0.032 176.523 176.600 -0.182 0.000 1.015 126 E CA -0.168 55.866 56.400 -0.611 0.000 0.906 126 E CB 0.579 30.012 29.700 -0.444 0.000 0.979 126 E HN 0.103 nan 8.360 nan 0.000 0.443 127 E N 3.208 123.386 120.200 -0.037 0.000 2.383 127 E HA 0.043 4.385 4.350 -0.013 0.000 0.264 127 E C -1.078 175.620 176.600 0.163 0.000 1.050 127 E CA -0.236 56.231 56.400 0.113 0.000 0.896 127 E CB 0.757 30.602 29.700 0.241 0.000 0.982 127 E HN 0.397 nan 8.360 nan 0.000 0.424 128 D N 1.599 122.081 120.400 0.137 0.000 2.350 128 D HA 0.269 4.901 4.640 -0.013 0.000 0.249 128 D C -0.849 175.506 176.300 0.092 0.000 1.119 128 D CA 0.169 54.227 54.000 0.096 0.000 0.886 128 D CB 1.035 41.874 40.800 0.066 0.000 1.195 128 D HN 0.450 nan 8.370 nan 0.000 0.437 129 A N 2.645 125.478 122.820 0.021 0.000 2.915 129 A HA 0.426 4.738 4.320 -0.013 0.000 0.292 129 A C 1.065 178.519 177.584 -0.216 0.000 1.632 129 A CA -0.436 51.453 52.037 -0.248 0.000 1.337 129 A CB -0.463 18.460 19.000 -0.128 0.000 1.111 129 A HN 0.554 nan 8.150 nan 0.000 0.569 130 G N 1.526 110.159 108.800 -0.279 0.000 3.455 130 G HA2 0.370 4.322 3.960 -0.013 0.000 0.250 130 G HA3 0.370 4.322 3.960 -0.013 0.000 0.250 130 G C 0.339 175.000 174.900 -0.399 0.000 1.071 130 G CA -0.270 44.708 45.100 -0.204 0.000 1.812 130 G HN 0.687 nan 8.290 nan 0.000 0.643 131 L N 1.364 122.403 121.223 -0.307 0.000 2.968 131 L HA 0.400 4.732 4.340 -0.013 0.000 0.235 131 L C 1.016 177.808 176.870 -0.131 0.000 1.323 131 L CA -0.278 54.481 54.840 -0.135 0.000 1.159 131 L CB -0.343 41.753 42.059 0.062 0.000 1.523 131 L HN 0.313 nan 8.230 nan 0.000 0.468 132 G N -1.163 107.332 108.800 -0.509 0.000 2.660 132 G HA2 0.216 4.169 3.960 -0.013 0.000 0.290 132 G HA3 0.216 4.169 3.960 -0.013 0.000 0.290 132 G C -0.203 174.246 174.900 -0.752 0.000 1.432 132 G CA -0.439 44.342 45.100 -0.532 0.000 0.807 132 G HN -0.050 nan 8.290 nan 0.000 0.485 133 N N -0.871 117.619 118.700 -0.350 0.000 2.482 133 N HA 0.224 4.956 4.740 -0.013 0.000 0.179 133 N C 1.124 176.636 175.510 0.003 0.000 1.039 133 N CA 1.204 54.143 53.050 -0.185 0.000 0.884 133 N CB 1.448 39.927 38.487 -0.014 0.000 1.113 133 N HN 0.810 nan 8.380 nan 0.000 0.440 134 G N -0.543 108.336 108.800 0.131 0.000 2.947 134 G HA2 0.196 4.148 3.960 -0.013 0.000 0.115 134 G HA3 0.196 4.148 3.960 -0.013 0.000 0.115 134 G C 0.744 175.767 174.900 0.204 0.000 1.214 134 G CA 0.252 45.506 45.100 0.257 0.000 1.324 134 G HN 0.159 nan 8.290 nan 0.000 0.645 135 G N 0.508 109.375 108.800 0.111 0.000 2.491 135 G HA2 -0.148 3.805 3.960 -0.013 0.000 0.218 135 G HA3 -0.148 3.805 3.960 -0.013 0.000 0.218 135 G C 1.907 176.802 174.900 -0.007 0.000 1.180 135 G CA 1.611 46.737 45.100 0.043 0.000 0.774 135 G HN 0.826 nan 8.290 nan 0.000 0.562 136 L N 0.693 121.889 121.223 -0.045 0.000 2.012 136 L HA 0.033 4.365 4.340 -0.013 0.000 0.210 136 L C 2.906 179.711 176.870 -0.108 0.000 1.073 136 L CA 2.193 56.927 54.840 -0.177 0.000 0.748 136 L CB -0.674 41.259 42.059 -0.210 0.000 0.891 136 L HN 0.260 nan 8.230 nan 0.000 0.431 137 G N -0.769 108.027 108.800 -0.006 0.000 2.418 137 G HA2 -0.274 3.678 3.960 -0.013 0.000 0.217 137 G HA3 -0.274 3.678 3.960 -0.013 0.000 0.217 137 G C 1.701 176.670 174.900 0.115 0.000 1.158 137 G CA 0.424 45.546 45.100 0.037 0.000 0.771 137 G HN 0.201 nan 8.290 nan 0.000 0.545 138 R N -0.009 120.593 120.500 0.170 0.000 2.092 138 R HA 0.080 4.412 4.340 -0.013 0.000 0.231 138 R C 2.516 178.828 176.300 0.020 0.000 1.119 138 R CA 0.788 56.962 56.100 0.123 0.000 0.970 138 R CB -0.954 29.384 30.300 0.064 0.000 0.864 138 R HN 0.413 nan 8.270 nan 0.000 0.440 139 L N 0.662 121.828 121.223 -0.095 0.000 2.012 139 L HA -0.122 4.210 4.340 -0.013 0.000 0.210 139 L C 2.239 178.846 176.870 -0.439 0.000 1.073 139 L CA 2.272 56.928 54.840 -0.307 0.000 0.748 139 L CB -0.785 41.037 42.059 -0.395 0.000 0.891 139 L HN 0.183 nan 8.230 nan 0.000 0.431 140 A N -0.545 122.111 122.820 -0.273 0.000 1.917 140 A HA -0.219 4.094 4.320 -0.013 0.000 0.219 140 A C 2.450 180.070 177.584 0.060 0.000 1.182 140 A CA 2.162 54.098 52.037 -0.168 0.000 0.633 140 A CB -1.268 17.605 19.000 -0.211 0.000 0.819 140 A HN 0.603 nan 8.150 nan 0.000 0.448 141 A N -1.130 121.774 122.820 0.141 0.000 1.877 141 A HA -0.176 4.136 4.320 -0.013 0.000 0.216 141 A C 2.329 179.993 177.584 0.133 0.000 1.186 141 A CA 1.715 53.865 52.037 0.188 0.000 0.620 141 A CB -1.294 17.806 19.000 0.167 0.000 0.822 141 A HN 0.617 nan 8.150 nan 0.000 0.443 142 C N -1.635 117.747 119.300 0.136 0.000 2.425 142 C HA -0.041 4.411 4.460 -0.013 0.000 0.277 142 C C 2.417 177.573 174.990 0.277 0.000 1.280 142 C CA 0.544 59.680 59.018 0.197 0.000 1.744 142 C CB -1.618 26.267 27.740 0.242 0.000 1.989 142 C HN 0.600 nan 8.230 nan 0.000 0.491 143 F N 0.535 120.473 119.950 -0.019 0.000 2.134 143 F HA -0.080 4.439 4.527 -0.013 0.000 0.299 143 F C 2.123 177.869 175.800 -0.090 0.000 1.097 143 F CA 1.074 59.015 58.000 -0.100 0.000 1.264 143 F CB -1.306 37.496 39.000 -0.330 0.000 1.001 143 F HN 0.088 nan 8.300 nan 0.000 0.479 144 L N 0.356 121.658 121.223 0.132 0.000 2.012 144 L HA -0.233 4.099 4.340 -0.013 0.000 0.210 144 L C 2.411 179.299 176.870 0.030 0.000 1.073 144 L CA 1.942 56.818 54.840 0.061 0.000 0.748 144 L CB -1.212 40.894 42.059 0.079 0.000 0.891 144 L HN 0.182 nan 8.230 nan 0.000 0.431 145 D N -1.416 119.010 120.400 0.043 0.000 2.144 145 D HA -0.159 4.474 4.640 -0.013 0.000 0.199 145 D C 1.880 178.199 176.300 0.032 0.000 0.984 145 D CA 1.451 55.461 54.000 0.017 0.000 0.834 145 D CB 0.440 41.247 40.800 0.011 0.000 0.955 145 D HN 0.308 nan 8.370 nan 0.000 0.465 146 S N -0.195 115.540 115.700 0.058 0.000 2.387 146 S HA -0.020 4.443 4.470 -0.013 0.000 0.226 146 S C 2.107 176.723 174.600 0.026 0.000 1.026 146 S CA 0.573 58.800 58.200 0.045 0.000 0.972 146 S CB -0.078 63.154 63.200 0.054 0.000 0.814 146 S HN 0.320 nan 8.310 nan 0.000 0.477 147 M N 0.945 120.554 119.600 0.016 0.000 2.213 147 M HA -0.088 4.385 4.480 -0.013 0.000 0.263 147 M C 2.319 178.621 176.300 0.003 0.000 1.062 147 M CA 1.272 56.577 55.300 0.010 0.000 1.105 147 M CB -0.384 32.206 32.600 -0.016 0.000 1.385 147 M HN 0.404 nan 8.290 nan 0.000 0.417 148 A N -0.484 122.336 122.820 -0.000 0.000 1.872 148 A HA -0.106 4.207 4.320 -0.013 0.000 0.214 148 A C 2.125 179.720 177.584 0.020 0.000 1.187 148 A CA 1.887 53.924 52.037 0.000 0.000 0.614 148 A CB -1.041 17.945 19.000 -0.024 0.000 0.826 148 A HN 0.379 nan 8.150 nan 0.000 0.442 149 T N 0.363 114.936 114.554 0.031 0.000 2.881 149 T HA -0.019 4.324 4.350 -0.013 0.000 0.270 149 T C 1.243 175.971 174.700 0.047 0.000 1.068 149 T CA 1.093 63.225 62.100 0.054 0.000 1.131 149 T CB -0.288 68.624 68.868 0.072 0.000 0.871 149 T HN 0.318 nan 8.240 nan 0.000 0.479 150 L N 0.497 121.743 121.223 0.039 0.000 2.685 150 L HA 0.305 4.638 4.340 -0.013 0.000 0.233 150 L C 1.469 178.364 176.870 0.042 0.000 1.173 150 L CA -0.231 54.633 54.840 0.040 0.000 0.961 150 L CB -0.415 41.669 42.059 0.042 0.000 1.217 150 L HN 0.348 nan 8.230 nan 0.000 0.478 151 G N 1.495 110.321 108.800 0.043 0.000 2.366 151 G HA2 -0.284 3.669 3.960 -0.013 0.000 0.299 151 G HA3 -0.284 3.669 3.960 -0.013 0.000 0.299 151 G C -0.034 174.894 174.900 0.047 0.000 1.020 151 G CA 0.158 45.294 45.100 0.061 0.000 1.026 151 G HN 0.299 nan 8.290 nan 0.000 0.512 152 L N -0.388 120.838 121.223 0.004 0.000 2.325 152 L HA 0.652 4.984 4.340 -0.013 0.000 0.279 152 L C 1.117 177.846 176.870 -0.234 0.000 1.054 152 L CA -0.599 54.193 54.840 -0.079 0.000 0.804 152 L CB 1.836 43.869 42.059 -0.042 0.000 1.200 152 L HN 0.271 nan 8.230 nan 0.000 0.436 153 A N 2.878 125.420 122.820 -0.463 0.000 3.037 153 A HA 0.571 4.883 4.320 -0.013 0.000 0.272 153 A C 0.294 177.542 177.584 -0.560 0.000 1.723 153 A CA -0.158 51.350 52.037 -0.882 0.000 1.413 153 A CB -0.680 17.727 19.000 -0.988 0.000 1.112 153 A HN 0.680 nan 8.150 nan 0.000 0.606 154 A N 1.292 123.826 122.820 -0.477 0.000 2.340 154 A HA 0.790 5.103 4.320 -0.013 0.000 0.331 154 A C -1.104 176.220 177.584 -0.433 0.000 1.140 154 A CA -0.445 51.372 52.037 -0.367 0.000 0.801 154 A CB 0.731 19.590 19.000 -0.235 0.000 1.234 154 A HN 0.571 nan 8.150 nan 0.000 0.469 155 Y N 0.287 120.556 120.300 -0.051 0.000 2.361 155 Y HA 0.543 5.086 4.550 -0.012 0.000 0.337 155 Y C 0.805 176.824 175.900 0.197 0.000 0.965 155 Y CA -0.703 57.443 58.100 0.077 0.000 1.091 155 Y CB 2.180 40.782 38.460 0.237 0.000 1.182 155 Y HN 0.814 nan 8.280 nan 0.000 0.450 156 G N 2.345 111.248 108.800 0.172 0.000 2.325 156 G HA2 0.428 4.381 3.960 -0.013 0.000 0.298 156 G HA3 0.428 4.381 3.960 -0.013 0.000 0.298 156 G C -1.681 173.237 174.900 0.030 0.000 1.134 156 G CA -0.242 44.987 45.100 0.215 0.000 0.876 156 G HN 0.509 nan 8.290 nan 0.000 0.452 157 Y N 1.203 121.728 120.300 0.376 0.000 2.376 157 Y HA 0.638 5.181 4.550 -0.013 0.000 0.340 157 Y C 0.772 176.961 175.900 0.481 0.000 0.965 157 Y CA 0.279 58.566 58.100 0.312 0.000 1.078 157 Y CB 2.644 41.318 38.460 0.356 0.000 1.193 157 Y HN 0.862 nan 8.280 nan 0.000 0.452 158 G N 2.399 111.499 108.800 0.500 0.000 2.664 158 G HA2 0.548 4.500 3.960 -0.013 0.000 0.303 158 G HA3 0.548 4.500 3.960 -0.013 0.000 0.303 158 G C -1.773 173.360 174.900 0.389 0.000 1.243 158 G CA -0.818 44.616 45.100 0.556 0.000 0.826 158 G HN 0.424 nan 8.290 nan 0.000 0.498 159 I N 0.628 121.326 120.570 0.213 0.000 2.441 159 I HA 0.432 4.595 4.170 -0.013 0.000 0.295 159 I C 0.196 176.198 176.117 -0.191 0.000 0.994 159 I CA -0.723 60.581 61.300 0.007 0.000 1.144 159 I CB 2.202 40.005 38.000 -0.327 0.000 1.314 159 I HN 0.379 nan 8.210 nan 0.000 0.445 160 R N 6.289 126.777 120.500 -0.020 0.000 2.870 160 R HA 0.251 4.584 4.340 -0.013 0.000 0.254 160 R C -1.248 175.095 176.300 0.072 0.000 1.392 160 R CA -0.440 55.686 56.100 0.044 0.000 1.322 160 R CB -0.038 30.266 30.300 0.007 0.000 1.205 160 R HN 0.394 nan 8.270 nan 0.000 0.597 161 Y N 1.490 121.933 120.300 0.239 0.000 2.411 161 Y HA -0.040 4.503 4.550 -0.013 0.000 0.333 161 Y C 1.516 177.577 175.900 0.269 0.000 1.186 161 Y CA -0.050 58.179 58.100 0.215 0.000 1.381 161 Y CB 0.888 39.453 38.460 0.176 0.000 1.273 161 Y HN 0.552 nan 8.280 nan 0.000 0.546 162 E N 0.769 121.133 120.200 0.273 0.000 2.442 162 E HA 0.056 4.398 4.350 -0.013 0.000 0.195 162 E C -0.851 175.620 176.600 -0.215 0.000 1.030 162 E CA 0.423 56.816 56.400 -0.011 0.000 0.869 162 E CB 0.121 29.618 29.700 -0.337 0.000 0.857 162 E HN 0.350 nan 8.360 nan 0.000 0.505 163 F N 1.306 121.491 119.950 0.390 0.000 2.499 163 F HA 0.482 5.002 4.527 -0.013 0.000 0.333 163 F C 0.858 176.737 175.800 0.132 0.000 1.138 163 F CA -0.963 57.205 58.000 0.280 0.000 0.945 163 F CB 1.932 41.031 39.000 0.165 0.000 1.181 163 F HN -0.073 nan 8.300 nan 0.000 0.435 164 G N 1.942 110.842 108.800 0.166 0.000 2.546 164 G HA2 0.327 4.279 3.960 -0.013 0.000 0.239 164 G HA3 0.327 4.279 3.960 -0.013 0.000 0.239 164 G C -0.440 174.417 174.900 -0.071 0.000 1.476 164 G CA -0.612 44.431 45.100 -0.094 0.000 1.064 164 G HN 0.529 nan 8.290 nan 0.000 0.561 165 I N 0.909 121.361 120.570 -0.197 0.000 2.710 165 I HA 0.250 4.412 4.170 -0.013 0.000 0.286 165 I C 0.584 176.608 176.117 -0.155 0.000 1.181 165 I CA -1.140 60.020 61.300 -0.234 0.000 1.430 165 I CB -0.195 37.565 38.000 -0.400 0.000 1.367 165 I HN 0.348 nan 8.210 nan 0.000 0.577 166 F N 6.275 126.234 119.950 0.015 0.000 2.628 166 F HA 0.209 4.729 4.527 -0.012 0.000 0.346 166 F C 0.398 176.247 175.800 0.080 0.000 1.188 166 F CA -0.406 57.625 58.000 0.051 0.000 1.376 166 F CB -0.232 38.786 39.000 0.031 0.000 1.104 166 F HN 0.433 nan 8.300 nan 0.000 0.616 167 N N 2.194 121.081 118.700 0.310 0.000 2.434 167 N HA 0.074 4.806 4.740 -0.013 0.000 0.272 167 N C -0.909 174.835 175.510 0.390 0.000 1.040 167 N CA -0.361 52.833 53.050 0.241 0.000 0.956 167 N CB 1.331 39.949 38.487 0.218 0.000 1.108 167 N HN 0.757 nan 8.380 nan 0.000 0.481 168 Q N 2.474 122.478 119.800 0.340 0.000 2.267 168 Q HA 0.191 4.523 4.340 -0.013 0.000 0.255 168 Q C -0.932 175.244 176.000 0.293 0.000 0.923 168 Q CA -0.169 55.877 55.803 0.405 0.000 0.925 168 Q CB 0.793 29.777 28.738 0.410 0.000 1.195 168 Q HN 0.265 nan 8.270 nan 0.000 0.417 169 K N 4.269 124.818 120.400 0.248 0.000 2.324 169 K HA 0.449 4.761 4.320 -0.013 0.000 0.253 169 K C -0.927 175.777 176.600 0.173 0.000 0.932 169 K CA -0.937 55.470 56.287 0.200 0.000 0.799 169 K CB 1.598 34.192 32.500 0.157 0.000 1.154 169 K HN 0.622 nan 8.250 nan 0.000 0.425 170 I N 2.639 123.306 120.570 0.161 0.000 2.328 170 I HA 0.198 4.360 4.170 -0.013 0.000 0.287 170 I C -0.195 175.985 176.117 0.104 0.000 1.012 170 I CA -0.709 60.656 61.300 0.110 0.000 1.195 170 I CB 0.625 38.673 38.000 0.080 0.000 1.350 170 I HN 0.456 nan 8.210 nan 0.000 0.464 171 C N 4.209 123.581 119.300 0.121 0.000 2.301 171 C HA 0.585 5.038 4.460 -0.013 0.000 0.323 171 C C 1.220 176.312 174.990 0.170 0.000 1.265 171 C CA -0.229 58.863 59.018 0.124 0.000 1.503 171 C CB 0.409 28.216 27.740 0.112 0.000 2.195 171 C HN 1.082 nan 8.230 nan 0.000 0.477 172 G N 2.849 111.721 108.800 0.119 0.000 2.258 172 G HA2 0.069 4.021 3.960 -0.013 0.000 0.274 172 G HA3 0.069 4.021 3.960 -0.013 0.000 0.274 172 G C 1.082 175.994 174.900 0.020 0.000 1.021 172 G CA 0.975 46.150 45.100 0.125 0.000 0.798 172 G HN 2.330 nan 8.290 nan 0.000 0.507 173 G N -2.986 105.777 108.800 -0.063 0.000 2.179 173 G HA2 -0.294 3.658 3.960 -0.013 0.000 0.260 173 G HA3 -0.294 3.658 3.960 -0.013 0.000 0.260 173 G C 0.364 175.029 174.900 -0.392 0.000 0.977 173 G CA 0.670 45.611 45.100 -0.265 0.000 0.641 173 G HN 1.179 nan 8.290 nan 0.000 0.533 174 W N 0.684 121.932 121.300 -0.087 0.000 2.516 174 W HA 0.664 5.317 4.660 -0.012 0.000 0.343 174 W C 0.623 177.093 176.519 -0.082 0.000 1.094 174 W CA -0.882 56.407 57.345 -0.095 0.000 1.250 174 W CB 0.848 30.268 29.460 -0.066 0.000 1.308 174 W HN 0.266 nan 8.180 nan 0.000 0.588 175 Q N 2.644 122.553 119.800 0.182 0.000 2.314 175 Q HA 0.321 4.653 4.340 -0.013 0.000 0.258 175 Q C -0.711 175.350 176.000 0.102 0.000 0.954 175 Q CA 0.014 55.889 55.803 0.119 0.000 0.890 175 Q CB 0.668 29.471 28.738 0.108 0.000 1.210 175 Q HN 0.302 nan 8.270 nan 0.000 0.410 176 M N 3.148 122.803 119.600 0.091 0.000 2.321 176 M HA 0.375 4.847 4.480 -0.013 0.000 0.315 176 M C -1.296 175.016 176.300 0.019 0.000 1.052 176 M CA -0.635 54.687 55.300 0.036 0.000 0.936 176 M CB 1.747 34.384 32.600 0.061 0.000 1.639 176 M HN 0.645 nan 8.290 nan 0.000 0.433 177 E N 1.922 122.057 120.200 -0.108 0.000 2.191 177 E HA 0.520 4.862 4.350 -0.013 0.000 0.278 177 E C -0.573 176.009 176.600 -0.031 0.000 0.972 177 E CA -0.532 55.761 56.400 -0.179 0.000 0.804 177 E CB 1.678 30.996 29.700 -0.637 0.000 1.110 177 E HN 0.523 nan 8.360 nan 0.000 0.394 178 E N 1.420 121.682 120.200 0.103 0.000 2.308 178 E HA 0.604 4.946 4.350 -0.013 0.000 0.275 178 E C -1.214 175.470 176.600 0.140 0.000 0.890 178 E CA -1.292 55.161 56.400 0.088 0.000 0.754 178 E CB 1.327 31.087 29.700 0.100 0.000 1.207 178 E HN 0.523 nan 8.360 nan 0.000 0.426 179 A N 3.071 125.926 122.820 0.058 0.000 2.584 179 A HA -0.001 4.311 4.320 -0.013 0.000 0.239 179 A C 0.050 177.777 177.584 0.239 0.000 1.043 179 A CA 0.759 52.831 52.037 0.059 0.000 0.756 179 A CB -0.074 18.799 19.000 -0.211 0.000 0.963 179 A HN 0.697 nan 8.150 nan 0.000 0.511 180 D N 1.784 122.400 120.400 0.360 0.000 2.494 180 D HA 0.181 4.813 4.640 -0.013 0.000 0.217 180 D C -0.509 176.147 176.300 0.593 0.000 1.153 180 D CA -0.242 53.995 54.000 0.395 0.000 0.954 180 D CB 0.397 41.366 40.800 0.281 0.000 1.034 180 D HN 0.360 nan 8.370 nan 0.000 0.518 181 D N 4.196 124.915 120.400 0.532 0.000 2.688 181 D HA -0.024 4.609 4.640 -0.013 0.000 0.228 181 D C 1.088 177.579 176.300 0.318 0.000 1.116 181 D CA -0.532 53.730 54.000 0.437 0.000 1.023 181 D CB -0.107 40.932 40.800 0.398 0.000 1.100 181 D HN 0.599 nan 8.370 nan 0.000 0.487 182 W N 2.349 123.719 121.300 0.117 0.000 2.525 182 W HA -0.063 4.589 4.660 -0.013 0.000 0.259 182 W C 0.336 176.930 176.519 0.125 0.000 1.253 182 W CA 0.079 57.500 57.345 0.126 0.000 1.262 182 W CB -0.815 28.713 29.460 0.113 0.000 1.122 182 W HN 0.199 nan 8.180 nan 0.000 0.607 183 L N 0.847 121.740 121.223 -0.550 0.000 2.567 183 L HA 0.135 4.468 4.340 -0.013 0.000 0.225 183 L C 2.808 179.555 176.870 -0.204 0.000 1.119 183 L CA 0.154 54.649 54.840 -0.574 0.000 0.871 183 L CB -0.679 40.921 42.059 -0.765 0.000 1.036 183 L HN -0.108 nan 8.230 nan 0.000 0.459 184 R N 0.787 121.239 120.500 -0.079 0.000 2.190 184 R HA -0.269 4.063 4.340 -0.013 0.000 0.255 184 R C 1.327 177.512 176.300 -0.191 0.000 1.143 184 R CA 2.320 58.365 56.100 -0.093 0.000 0.965 184 R CB -0.299 30.002 30.300 0.002 0.000 0.889 184 R HN 0.318 nan 8.270 nan 0.000 0.448 185 Y N -0.598 119.719 120.300 0.028 0.000 2.485 185 Y HA 0.347 4.890 4.550 -0.012 0.000 0.260 185 Y C 0.831 176.730 175.900 -0.002 0.000 1.173 185 Y CA 0.477 58.602 58.100 0.042 0.000 1.252 185 Y CB 1.067 39.653 38.460 0.210 0.000 1.123 185 Y HN 0.488 nan 8.280 nan 0.000 0.524 186 G N 1.307 110.156 108.800 0.081 0.000 2.662 186 G HA2 -0.210 3.743 3.960 -0.013 0.000 0.686 186 G HA3 -0.210 3.743 3.960 -0.013 0.000 0.686 186 G C -1.245 173.717 174.900 0.103 0.000 1.271 186 G CA -0.809 44.302 45.100 0.019 0.000 0.816 186 G HN 0.217 nan 8.290 nan 0.000 0.608 187 N N 1.085 119.795 118.700 0.017 0.000 2.573 187 N HA 0.524 5.257 4.740 -0.013 0.000 0.262 187 N C -0.853 174.649 175.510 -0.013 0.000 1.029 187 N CA -1.911 51.165 53.050 0.043 0.000 0.882 187 N CB 2.050 40.508 38.487 -0.048 0.000 1.204 187 N HN 0.254 nan 8.380 nan 0.000 0.519 188 P HA 0.008 nan 4.420 nan 0.000 0.234 188 P C 0.530 177.470 177.300 -0.601 0.000 1.167 188 P CA 0.705 63.480 63.100 -0.541 0.000 0.763 188 P CB 0.087 31.185 31.700 -1.003 0.000 0.835 189 W N 1.633 122.949 121.300 0.027 0.000 2.630 189 W HA 0.081 4.733 4.660 -0.012 0.000 0.271 189 W C 1.352 177.917 176.519 0.077 0.000 1.244 189 W CA -0.362 56.995 57.345 0.021 0.000 1.353 189 W CB -0.225 29.247 29.460 0.019 0.000 1.080 189 W HN -0.035 nan 8.180 nan 0.000 0.594 190 E N 1.860 122.237 120.200 0.295 0.000 2.349 190 E HA 0.279 4.621 4.350 -0.013 0.000 0.262 190 E C -0.556 176.219 176.600 0.292 0.000 1.088 190 E CA -0.568 56.017 56.400 0.309 0.000 0.899 190 E CB 1.179 31.071 29.700 0.321 0.000 1.044 190 E HN -0.301 nan 8.360 nan 0.000 0.420 191 K N 1.308 121.897 120.400 0.316 0.000 2.616 191 K HA 0.388 4.701 4.320 -0.013 0.000 0.241 191 K C -1.222 175.412 176.600 0.056 0.000 0.961 191 K CA -0.358 56.049 56.287 0.200 0.000 0.942 191 K CB 1.337 33.970 32.500 0.222 0.000 1.153 191 K HN 0.669 nan 8.250 nan 0.000 0.452 192 A N 3.939 126.705 122.820 -0.090 0.000 2.540 192 A HA 0.291 4.604 4.320 -0.013 0.000 0.239 192 A C -0.233 177.157 177.584 -0.322 0.000 1.061 192 A CA 0.061 51.766 52.037 -0.552 0.000 0.758 192 A CB 0.200 18.876 19.000 -0.541 0.000 0.991 192 A HN 0.667 nan 8.150 nan 0.000 0.502 193 R N 3.335 123.637 120.500 -0.331 0.000 2.748 193 R HA 0.202 4.534 4.340 -0.013 0.000 0.283 193 R C -2.375 173.807 176.300 -0.196 0.000 1.507 193 R CA -1.643 54.356 56.100 -0.168 0.000 1.666 193 R CB 0.797 31.178 30.300 0.135 0.000 1.237 193 R HN 0.564 nan 8.270 nan 0.000 0.633 194 P HA -0.203 nan 4.420 nan 0.000 0.219 194 P C 0.934 178.132 177.300 -0.170 0.000 1.146 194 P CA 1.219 64.229 63.100 -0.149 0.000 0.808 194 P CB 0.336 31.958 31.700 -0.129 0.000 0.779 195 E N -0.453 119.532 120.200 -0.357 0.000 2.409 195 E HA -0.134 4.209 4.350 -0.013 0.000 0.198 195 E C 0.474 176.802 176.600 -0.455 0.000 1.024 195 E CA 0.831 56.952 56.400 -0.465 0.000 0.861 195 E CB -0.748 28.540 29.700 -0.685 0.000 0.788 195 E HN 0.280 nan 8.360 nan 0.000 0.521 196 F N 1.579 121.543 119.950 0.023 0.000 2.708 196 F HA 0.275 4.795 4.527 -0.013 0.000 0.300 196 F C 0.485 176.376 175.800 0.152 0.000 1.118 196 F CA -0.700 57.343 58.000 0.073 0.000 1.307 196 F CB 0.096 39.134 39.000 0.063 0.000 0.986 196 F HN -0.292 nan 8.300 nan 0.000 0.522 197 T N 2.863 117.554 114.554 0.228 0.000 2.937 197 T HA 0.273 4.615 4.350 -0.013 0.000 0.316 197 T C -0.186 174.627 174.700 0.188 0.000 1.079 197 T CA 0.444 62.683 62.100 0.231 0.000 1.131 197 T CB 0.697 69.649 68.868 0.139 0.000 1.000 197 T HN -0.157 nan 8.240 nan 0.000 0.549 198 L N 4.526 125.833 121.223 0.139 0.000 2.371 198 L HA 0.608 4.940 4.340 -0.013 0.000 0.262 198 L C -2.300 174.543 176.870 -0.046 0.000 1.006 198 L CA -2.545 52.303 54.840 0.014 0.000 0.818 198 L CB 2.065 44.065 42.059 -0.099 0.000 1.354 198 L HN 0.392 nan 8.230 nan 0.000 0.415 199 P HA 0.443 nan 4.420 nan 0.000 0.292 199 P C -1.310 175.848 177.300 -0.236 0.000 1.283 199 P CA -0.490 62.528 63.100 -0.138 0.000 0.835 199 P CB 2.101 33.715 31.700 -0.144 0.000 1.017 200 V N 3.877 123.634 119.914 -0.263 0.000 2.588 200 V HA 0.317 4.429 4.120 -0.013 0.000 0.304 200 V C 0.154 175.994 176.094 -0.423 0.000 1.042 200 V CA -0.607 61.520 62.300 -0.288 0.000 0.877 200 V CB 1.505 33.233 31.823 -0.158 0.000 0.996 200 V HN 0.618 nan 8.190 nan 0.000 0.425 201 H N 3.857 122.734 119.070 -0.321 0.000 2.483 201 H HA 0.649 5.197 4.556 -0.013 0.000 0.338 201 H C -1.332 173.605 175.328 -0.652 0.000 1.152 201 H CA -0.170 55.590 56.048 -0.479 0.000 1.264 201 H CB 1.916 31.154 29.762 -0.874 0.000 1.510 201 H HN 0.453 nan 8.280 nan 0.000 0.530 202 F N -0.498 119.467 119.950 0.024 0.000 2.613 202 F HA 0.201 4.720 4.527 -0.013 0.000 0.310 202 F C -0.301 175.596 175.800 0.161 0.000 1.085 202 F CA -0.632 57.403 58.000 0.059 0.000 0.945 202 F CB 0.858 39.847 39.000 -0.018 0.000 1.298 202 F HN 0.580 nan 8.300 nan 0.000 0.455 203 Y N 0.225 120.781 120.300 0.426 0.000 2.896 203 Y HA -0.003 4.540 4.550 -0.013 0.000 0.466 203 Y C 1.425 177.536 175.900 0.351 0.000 1.197 203 Y CA 0.777 59.055 58.100 0.296 0.000 2.513 203 Y CB -1.871 36.689 38.460 0.167 0.000 1.232 203 Y HN 1.354 nan 8.280 nan 0.000 0.632 204 G N 0.676 109.714 108.800 0.396 0.000 2.593 204 G HA2 0.097 4.049 3.960 -0.013 0.000 0.237 204 G HA3 0.097 4.049 3.960 -0.013 0.000 0.237 204 G C -0.521 174.570 174.900 0.318 0.000 1.312 204 G CA 0.926 46.182 45.100 0.260 0.000 0.896 204 G HN 1.361 nan 8.290 nan 0.000 0.574 205 R N -2.621 118.063 120.500 0.308 0.000 2.766 205 R HA 0.733 5.066 4.340 -0.013 0.000 0.270 205 R C -1.558 174.869 176.300 0.211 0.000 1.035 205 R CA -0.855 55.376 56.100 0.218 0.000 0.911 205 R CB 1.239 31.616 30.300 0.128 0.000 1.243 205 R HN 0.964 nan 8.270 nan 0.000 0.460 206 V N 0.902 120.856 119.914 0.067 0.000 2.417 206 V HA 0.369 4.481 4.120 -0.013 0.000 0.291 206 V C -0.380 175.644 176.094 -0.117 0.000 1.024 206 V CA -0.593 61.674 62.300 -0.055 0.000 0.861 206 V CB 1.470 33.185 31.823 -0.180 0.000 0.985 206 V HN 0.665 nan 8.190 nan 0.000 0.436 207 E N 3.205 123.321 120.200 -0.140 0.000 2.151 207 E HA 0.399 4.742 4.350 -0.013 0.000 0.275 207 E C -1.012 175.461 176.600 -0.211 0.000 0.936 207 E CA -0.693 55.647 56.400 -0.101 0.000 0.777 207 E CB 1.032 30.720 29.700 -0.021 0.000 1.108 207 E HN 0.653 nan 8.360 nan 0.000 0.401 208 H N 2.568 121.652 119.070 0.023 0.000 2.724 208 H HA 0.172 4.721 4.556 -0.013 0.000 0.278 208 H C -0.317 175.020 175.328 0.015 0.000 1.159 208 H CA -0.197 55.860 56.048 0.015 0.000 1.254 208 H CB 0.642 30.408 29.762 0.007 0.000 1.412 208 H HN 0.417 nan 8.280 nan 0.000 0.488 209 T N 0.002 114.609 114.554 0.089 0.000 2.824 209 T HA 0.293 4.636 4.350 -0.013 0.000 0.282 209 T C 1.139 175.872 174.700 0.055 0.000 0.993 209 T CA -0.225 61.913 62.100 0.064 0.000 0.967 209 T CB 1.937 70.828 68.868 0.039 0.000 0.960 209 T HN 0.531 nan 8.240 nan 0.000 0.441 210 S N 2.779 118.507 115.700 0.047 0.000 2.746 210 S HA -0.380 4.082 4.470 -0.013 0.000 0.526 210 S C 0.941 175.564 174.600 0.038 0.000 0.959 210 S CA 1.911 60.133 58.200 0.037 0.000 3.281 210 S CB -1.410 61.807 63.200 0.029 0.000 2.286 210 S HN 0.857 nan 8.310 nan 0.000 0.525 211 Q N 2.951 122.773 119.800 0.036 0.000 2.819 211 Q HA 0.562 4.894 4.340 -0.013 0.000 0.392 211 Q C 0.229 176.252 176.000 0.039 0.000 1.088 211 Q CA 0.806 56.630 55.803 0.035 0.000 1.062 211 Q CB 0.419 29.174 28.738 0.028 0.000 1.369 211 Q HN 0.993 nan 8.270 nan 0.000 0.434 212 G N -0.425 108.407 108.800 0.054 0.000 2.406 212 G HA2 0.269 4.221 3.960 -0.013 0.000 0.680 212 G HA3 0.269 4.221 3.960 -0.013 0.000 0.680 212 G C -1.086 173.844 174.900 0.050 0.000 1.338 212 G CA -0.652 44.482 45.100 0.057 0.000 0.941 212 G HN 0.451 nan 8.290 nan 0.000 0.633 213 A N 0.497 123.334 122.820 0.030 0.000 2.304 213 A HA 0.837 5.150 4.320 -0.013 0.000 0.271 213 A C 0.386 177.923 177.584 -0.080 0.000 1.091 213 A CA 0.022 51.998 52.037 -0.101 0.000 0.812 213 A CB 0.845 19.743 19.000 -0.170 0.000 1.056 213 A HN 0.781 nan 8.150 nan 0.000 0.489 214 K N 0.427 120.766 120.400 -0.101 0.000 2.482 214 K HA 0.199 4.511 4.320 -0.013 0.000 0.251 214 K C -1.825 174.809 176.600 0.056 0.000 0.936 214 K CA -0.396 55.882 56.287 -0.015 0.000 0.791 214 K CB 1.947 34.442 32.500 -0.009 0.000 1.213 214 K HN 0.726 nan 8.250 nan 0.000 0.428 215 W N 4.901 126.115 121.300 -0.144 0.000 2.358 215 W HA 0.375 5.027 4.660 -0.013 0.000 0.307 215 W C -1.042 175.401 176.519 -0.126 0.000 1.203 215 W CA -0.617 56.644 57.345 -0.140 0.000 1.279 215 W CB 0.454 29.817 29.460 -0.161 0.000 1.264 215 W HN 0.191 nan 8.180 nan 0.000 0.474 216 V N 6.498 126.498 119.914 0.144 0.000 3.074 216 V HA 0.338 4.450 4.120 -0.013 0.000 0.314 216 V C -0.510 175.555 176.094 -0.048 0.000 1.117 216 V CA -0.611 61.676 62.300 -0.022 0.000 1.014 216 V CB 2.121 33.957 31.823 0.022 0.000 1.057 216 V HN 0.458 nan 8.190 nan 0.000 0.438 217 D N 1.417 121.776 120.400 -0.069 0.000 2.689 217 D HA -0.129 4.504 4.640 -0.013 0.000 0.237 217 D C 0.385 176.631 176.300 -0.090 0.000 1.148 217 D CA 1.383 55.344 54.000 -0.065 0.000 0.656 217 D CB -1.208 39.585 40.800 -0.012 0.000 1.050 217 D HN 0.851 nan 8.370 nan 0.000 0.426 218 T N -3.095 111.356 114.554 -0.170 0.000 2.918 218 T HA 0.414 4.756 4.350 -0.013 0.000 0.283 218 T C 0.220 174.886 174.700 -0.058 0.000 1.001 218 T CA -0.890 61.118 62.100 -0.153 0.000 1.041 218 T CB 2.617 71.218 68.868 -0.444 0.000 1.028 218 T HN 0.209 nan 8.240 nan 0.000 0.511 219 Q N 1.348 121.190 119.800 0.070 0.000 2.257 219 Q HA 0.508 4.841 4.340 -0.013 0.000 0.255 219 Q C -1.414 174.647 176.000 0.101 0.000 0.920 219 Q CA -0.815 55.032 55.803 0.074 0.000 0.927 219 Q CB 1.197 30.056 28.738 0.201 0.000 1.229 219 Q HN 0.624 nan 8.270 nan 0.000 0.433 220 V N 4.561 124.489 119.914 0.024 0.000 2.427 220 V HA 0.430 4.543 4.120 -0.013 0.000 0.286 220 V C -0.325 175.816 176.094 0.078 0.000 1.034 220 V CA -0.565 61.711 62.300 -0.042 0.000 0.893 220 V CB 1.662 33.420 31.823 -0.107 0.000 0.982 220 V HN 0.644 nan 8.190 nan 0.000 0.452 221 V N 5.959 125.951 119.914 0.130 0.000 2.735 221 V HA 0.524 4.636 4.120 -0.013 0.000 0.310 221 V C -0.280 175.921 176.094 0.178 0.000 1.061 221 V CA -0.648 61.772 62.300 0.200 0.000 0.913 221 V CB 2.020 34.041 31.823 0.330 0.000 1.005 221 V HN 0.630 nan 8.190 nan 0.000 0.428 222 L N 3.142 124.476 121.223 0.185 0.000 2.334 222 L HA 0.837 5.170 4.340 -0.013 0.000 0.275 222 L C 0.267 177.331 176.870 0.322 0.000 1.036 222 L CA -0.599 54.349 54.840 0.179 0.000 0.807 222 L CB 1.635 43.776 42.059 0.136 0.000 1.231 222 L HN 0.738 nan 8.230 nan 0.000 0.438 223 A N 4.245 127.211 122.820 0.243 0.000 2.277 223 A HA 0.592 4.905 4.320 -0.013 0.000 0.318 223 A C -0.519 177.350 177.584 0.475 0.000 1.339 223 A CA -0.452 51.774 52.037 0.315 0.000 0.875 223 A CB 0.919 19.727 19.000 -0.319 0.000 1.158 223 A HN 0.793 nan 8.150 nan 0.000 0.514 224 M N 5.904 125.824 119.600 0.534 0.000 2.113 224 M HA 0.492 4.964 4.480 -0.013 0.000 0.352 224 M C -2.593 173.983 176.300 0.459 0.000 1.170 224 M CA -1.942 53.613 55.300 0.425 0.000 1.053 224 M CB 1.805 34.583 32.600 0.296 0.000 1.601 224 M HN 0.335 nan 8.290 nan 0.000 0.459 225 P HA 0.293 nan 4.420 nan 0.000 0.284 225 P C -1.946 175.305 177.300 -0.081 0.000 1.258 225 P CA -0.078 62.942 63.100 -0.133 0.000 0.824 225 P CB 0.584 32.001 31.700 -0.472 0.000 1.038 226 Y N 0.232 120.458 120.300 -0.123 0.000 2.329 226 Y HA 0.290 4.832 4.550 -0.013 0.000 0.328 226 Y C -0.132 175.757 175.900 -0.017 0.000 0.992 226 Y CA -0.404 57.690 58.100 -0.009 0.000 1.151 226 Y CB 1.357 39.842 38.460 0.041 0.000 1.150 226 Y HN 0.200 nan 8.280 nan 0.000 0.450 227 D N 2.278 122.792 120.400 0.191 0.000 2.198 227 D HA 0.374 5.006 4.640 -0.013 0.000 0.245 227 D C -0.473 176.066 176.300 0.399 0.000 1.079 227 D CA -0.153 54.005 54.000 0.262 0.000 0.854 227 D CB 1.709 42.699 40.800 0.317 0.000 1.148 227 D HN 0.345 nan 8.370 nan 0.000 0.456 228 T N 3.295 117.975 114.554 0.211 0.000 2.807 228 T HA 0.463 4.805 4.350 -0.013 0.000 0.279 228 T C -2.491 172.055 174.700 -0.256 0.000 0.993 228 T CA -1.506 60.620 62.100 0.044 0.000 0.970 228 T CB 2.003 70.892 68.868 0.034 0.000 0.950 228 T HN 0.173 nan 8.240 nan 0.000 0.441 229 P HA 0.323 nan 4.420 nan 0.000 0.279 229 P C -1.010 175.972 177.300 -0.529 0.000 1.239 229 P CA -0.414 62.046 63.100 -1.067 0.000 0.789 229 P CB 0.840 31.683 31.700 -1.429 0.000 0.933 230 V N 5.261 124.922 119.914 -0.421 0.000 2.289 230 V HA 0.254 4.367 4.120 -0.013 0.000 0.272 230 V C -2.066 173.899 176.094 -0.215 0.000 1.026 230 V CA -1.925 60.220 62.300 -0.258 0.000 0.807 230 V CB 1.309 33.029 31.823 -0.172 0.000 1.044 230 V HN 0.541 nan 8.190 nan 0.000 0.443 231 P HA 0.257 nan 4.420 nan 0.000 0.280 231 P C 0.413 177.662 177.300 -0.085 0.000 1.244 231 P CA 0.366 63.378 63.100 -0.146 0.000 0.784 231 P CB 1.640 33.249 31.700 -0.151 0.000 0.913 232 G N 2.178 110.945 108.800 -0.055 0.000 2.616 232 G HA2 0.144 4.096 3.960 -0.013 0.000 0.268 232 G HA3 0.144 4.096 3.960 -0.013 0.000 0.268 232 G C -1.216 173.694 174.900 0.017 0.000 1.213 232 G CA -0.444 44.653 45.100 -0.007 0.000 0.926 232 G HN 0.494 nan 8.290 nan 0.000 0.523 233 Y N 0.237 120.501 120.300 -0.061 0.000 2.539 233 Y HA 0.348 4.890 4.550 -0.013 0.000 0.352 233 Y C 1.206 177.070 175.900 -0.060 0.000 1.004 233 Y CA -0.485 57.575 58.100 -0.067 0.000 1.278 233 Y CB 0.189 38.607 38.460 -0.069 0.000 1.136 233 Y HN 0.694 nan 8.280 nan 0.000 0.528 234 R N 2.871 123.015 120.500 -0.592 0.000 3.627 234 R HA -0.314 4.018 4.340 -0.013 0.000 0.281 234 R C -0.008 176.141 176.300 -0.250 0.000 1.140 234 R CA 1.498 57.293 56.100 -0.509 0.000 0.761 234 R CB -1.868 27.946 30.300 -0.810 0.000 1.181 234 R HN 0.952 nan 8.270 nan 0.000 0.472 235 N N -1.640 116.970 118.700 -0.151 0.000 2.159 235 N HA 0.082 4.814 4.740 -0.013 0.000 0.217 235 N C -0.215 175.248 175.510 -0.079 0.000 1.223 235 N CA -0.338 52.658 53.050 -0.089 0.000 0.896 235 N CB 0.563 39.024 38.487 -0.044 0.000 1.064 235 N HN 0.083 nan 8.380 nan 0.000 0.518 236 N N -0.229 118.420 118.700 -0.086 0.000 2.800 236 N HA -0.127 4.605 4.740 -0.013 0.000 0.250 236 N C -1.116 174.353 175.510 -0.068 0.000 1.078 236 N CA 0.529 53.538 53.050 -0.069 0.000 0.804 236 N CB -1.304 37.145 38.487 -0.064 0.000 1.135 236 N HN 0.195 nan 8.380 nan 0.000 0.565 237 V N 1.017 120.893 119.914 -0.062 0.000 2.427 237 V HA 0.531 4.643 4.120 -0.013 0.000 0.286 237 V C 0.442 176.504 176.094 -0.054 0.000 1.034 237 V CA -0.562 61.706 62.300 -0.052 0.000 0.893 237 V CB 2.269 34.085 31.823 -0.012 0.000 0.982 237 V HN -0.051 nan 8.190 nan 0.000 0.452 238 V N 5.323 125.207 119.914 -0.050 0.000 2.419 238 V HA 0.437 4.549 4.120 -0.013 0.000 0.287 238 V C -0.123 175.945 176.094 -0.044 0.000 1.017 238 V CA -0.838 61.402 62.300 -0.100 0.000 0.844 238 V CB 1.486 33.235 31.823 -0.124 0.000 1.011 238 V HN 0.837 nan 8.190 nan 0.000 0.429 239 N N 1.928 120.583 118.700 -0.074 0.000 2.418 239 N HA 0.571 5.303 4.740 -0.013 0.000 0.283 239 N C -0.049 175.442 175.510 -0.031 0.000 1.267 239 N CA -0.265 52.769 53.050 -0.028 0.000 0.975 239 N CB 1.205 39.645 38.487 -0.080 0.000 1.167 239 N HN 0.581 nan 8.380 nan 0.000 0.581 240 T N 0.757 115.316 114.554 0.008 0.000 2.824 240 T HA 0.396 4.738 4.350 -0.013 0.000 0.282 240 T C -0.265 174.427 174.700 -0.014 0.000 0.993 240 T CA -0.504 61.671 62.100 0.126 0.000 0.967 240 T CB 1.044 70.126 68.868 0.358 0.000 0.960 240 T HN 0.309 nan 8.240 nan 0.000 0.441 241 M N 3.809 123.363 119.600 -0.077 0.000 2.101 241 M HA 0.503 4.976 4.480 -0.013 0.000 0.340 241 M C -0.438 175.725 176.300 -0.229 0.000 1.057 241 M CA -0.743 54.424 55.300 -0.223 0.000 0.984 241 M CB 0.680 33.103 32.600 -0.295 0.000 1.560 241 M HN 0.476 nan 8.290 nan 0.000 0.435 242 R N 4.820 125.069 120.500 -0.417 0.000 2.265 242 R HA 0.524 4.857 4.340 -0.013 0.000 0.328 242 R C -1.944 174.066 176.300 -0.483 0.000 0.969 242 R CA -0.590 55.210 56.100 -0.500 0.000 0.832 242 R CB 0.841 30.651 30.300 -0.816 0.000 1.139 242 R HN 0.638 nan 8.270 nan 0.000 0.457 243 L N 5.783 126.822 121.223 -0.307 0.000 2.305 243 L HA 0.438 4.770 4.340 -0.013 0.000 0.284 243 L C -1.014 175.802 176.870 -0.091 0.000 1.013 243 L CA -0.591 54.162 54.840 -0.144 0.000 0.819 243 L CB 1.020 43.078 42.059 -0.001 0.000 1.227 243 L HN 0.622 nan 8.230 nan 0.000 0.417 244 W N 2.524 123.935 121.300 0.185 0.000 2.272 244 W HA 0.553 5.205 4.660 -0.013 0.000 0.318 244 W C 0.691 177.424 176.519 0.356 0.000 1.255 244 W CA -0.170 57.307 57.345 0.219 0.000 1.200 244 W CB 1.232 30.675 29.460 -0.028 0.000 1.170 244 W HN 0.433 nan 8.180 nan 0.000 0.549 245 S N 1.721 117.829 115.700 0.680 0.000 2.503 245 S HA 0.782 5.244 4.470 -0.013 0.000 0.301 245 S C -0.440 174.523 174.600 0.605 0.000 1.087 245 S CA -0.723 57.788 58.200 0.519 0.000 1.042 245 S CB 0.692 64.143 63.200 0.418 0.000 1.043 245 S HN 0.510 nan 8.310 nan 0.000 0.489 246 A N 4.440 127.461 122.820 0.335 0.000 2.331 246 A HA 0.688 5.000 4.320 -0.013 0.000 0.283 246 A C -0.160 177.523 177.584 0.165 0.000 1.142 246 A CA -0.343 51.795 52.037 0.167 0.000 0.812 246 A CB 0.451 19.270 19.000 -0.301 0.000 1.074 246 A HN 0.656 nan 8.150 nan 0.000 0.497 247 K N 0.866 121.378 120.400 0.187 0.000 2.464 247 K HA 0.627 4.939 4.320 -0.013 0.000 0.253 247 K C -0.718 175.951 176.600 0.115 0.000 0.933 247 K CA -0.469 55.904 56.287 0.143 0.000 0.801 247 K CB 2.352 34.949 32.500 0.162 0.000 1.271 247 K HN 0.844 nan 8.250 nan 0.000 0.430 248 A N 3.913 126.783 122.820 0.085 0.000 2.327 248 A HA 0.529 4.842 4.320 -0.013 0.000 0.283 248 A C -2.208 175.423 177.584 0.078 0.000 1.127 248 A CA -1.235 50.848 52.037 0.076 0.000 0.810 248 A CB -0.043 18.990 19.000 0.056 0.000 1.066 248 A HN 0.347 nan 8.150 nan 0.000 0.492 249 P HA 0.091 nan 4.420 nan 0.000 0.272 249 P C -0.024 177.319 177.300 0.073 0.000 1.223 249 P CA -0.360 62.789 63.100 0.081 0.000 0.784 249 P CB 0.675 32.435 31.700 0.100 0.000 0.923 250 N N 0.955 119.688 118.700 0.056 0.000 2.412 250 N HA -0.080 4.652 4.740 -0.013 0.000 0.184 250 N C 0.533 176.065 175.510 0.037 0.000 1.101 250 N CA 0.308 53.385 53.050 0.044 0.000 0.881 250 N CB -0.356 38.152 38.487 0.035 0.000 0.969 250 N HN 0.408 nan 8.380 nan 0.000 0.459 251 D N 0.873 121.294 120.400 0.036 0.000 2.230 251 D HA -0.107 4.526 4.640 -0.013 0.000 0.274 251 D C 1.435 177.745 176.300 0.017 0.000 1.222 251 D CA 0.012 54.001 54.000 -0.017 0.000 0.943 251 D CB -0.949 39.810 40.800 -0.068 0.000 0.920 251 D HN -0.053 nan 8.370 nan 0.000 0.300 252 F N 1.059 121.027 119.950 0.029 0.000 2.141 252 F HA -0.170 4.349 4.527 -0.013 0.000 0.300 252 F C 1.600 177.423 175.800 0.038 0.000 1.079 252 F CA 1.328 59.351 58.000 0.039 0.000 1.264 252 F CB -1.075 37.948 39.000 0.038 0.000 1.011 252 F HN 0.102 nan 8.300 nan 0.000 0.487 253 N N 0.549 119.381 118.700 0.220 0.000 3.115 253 N HA 0.101 4.833 4.740 -0.013 0.000 0.305 253 N C 0.805 176.366 175.510 0.086 0.000 1.305 253 N CA 0.172 53.300 53.050 0.128 0.000 1.154 253 N CB -0.046 38.495 38.487 0.091 0.000 1.454 253 N HN 0.119 nan 8.380 nan 0.000 0.551 254 L N -0.625 120.661 121.223 0.105 0.000 1.433 254 L HA -0.116 4.216 4.340 -0.013 0.000 0.146 254 L C 1.332 178.262 176.870 0.100 0.000 1.334 254 L CA 0.856 55.743 54.840 0.080 0.000 1.267 254 L CB -0.953 41.142 42.059 0.059 0.000 2.547 254 L HN 0.283 nan 8.230 nan 0.000 0.476 255 K N 0.335 120.770 120.400 0.059 0.000 2.366 255 K HA -0.032 4.281 4.320 -0.013 0.000 0.198 255 K C 0.487 177.126 176.600 0.064 0.000 1.044 255 K CA 1.011 57.283 56.287 -0.025 0.000 0.973 255 K CB -0.029 32.338 32.500 -0.221 0.000 0.767 255 K HN 0.151 nan 8.250 nan 0.000 0.475 256 D N 2.066 122.619 120.400 0.256 0.000 2.398 256 D HA -0.015 4.618 4.640 -0.013 0.000 0.250 256 D C -0.249 176.270 176.300 0.365 0.000 1.287 256 D CA -0.204 54.050 54.000 0.422 0.000 0.992 256 D CB -0.077 41.009 40.800 0.477 0.000 1.071 256 D HN 0.200 nan 8.370 nan 0.000 0.514 257 F N 1.493 121.486 119.950 0.073 0.000 2.373 257 F HA 0.343 4.862 4.527 -0.013 0.000 0.302 257 F C 0.517 176.346 175.800 0.049 0.000 1.247 257 F CA -1.938 56.093 58.000 0.052 0.000 1.169 257 F CB -0.257 38.760 39.000 0.029 0.000 1.309 257 F HN 0.364 nan 8.300 nan 0.000 0.537 258 N N -0.492 118.085 118.700 -0.205 0.000 3.506 258 N HA 0.069 4.801 4.740 -0.013 0.000 0.257 258 N C -1.716 173.730 175.510 -0.106 0.000 1.059 258 N CA 0.478 53.349 53.050 -0.298 0.000 0.672 258 N CB -0.920 37.251 38.487 -0.528 0.000 1.178 258 N HN 0.835 nan 8.380 nan 0.000 0.593 259 V N -1.590 118.311 119.914 -0.022 0.000 3.576 259 V HA -0.025 4.088 4.120 -0.013 0.000 0.511 259 V C 1.319 177.421 176.094 0.013 0.000 0.682 259 V CA 1.569 63.871 62.300 0.004 0.000 2.064 259 V CB -0.889 30.925 31.823 -0.014 0.000 2.487 259 V HN 0.991 nan 8.190 nan 0.000 0.511 260 G N 1.027 109.843 108.800 0.027 0.000 3.758 260 G HA2 0.676 4.629 3.960 -0.013 0.000 0.206 260 G HA3 0.676 4.629 3.960 -0.013 0.000 0.206 260 G C 0.870 175.789 174.900 0.032 0.000 0.946 260 G CA 1.218 46.333 45.100 0.024 0.000 0.885 260 G HN 3.001 nan 8.290 nan 0.000 0.392 261 G N -1.071 107.762 108.800 0.056 0.000 2.931 261 G HA2 0.302 4.254 3.960 -0.013 0.000 0.675 261 G HA3 0.302 4.254 3.960 -0.013 0.000 0.675 261 G C -0.117 174.838 174.900 0.093 0.000 1.339 261 G CA 0.198 45.341 45.100 0.072 0.000 0.866 261 G HN 1.396 nan 8.290 nan 0.000 0.616 262 Y N 3.207 123.523 120.300 0.026 0.000 2.220 262 Y HA 0.037 4.580 4.550 -0.013 0.000 0.291 262 Y C 2.482 178.396 175.900 0.024 0.000 1.129 262 Y CA 2.089 60.206 58.100 0.028 0.000 1.161 262 Y CB 0.006 38.480 38.460 0.024 0.000 0.997 262 Y HN 0.481 nan 8.280 nan 0.000 0.522 263 I N 0.586 121.098 120.570 -0.096 0.000 2.142 263 I HA -0.296 3.867 4.170 -0.013 0.000 0.240 263 I C 2.393 178.413 176.117 -0.162 0.000 1.078 263 I CA 1.463 62.659 61.300 -0.173 0.000 1.343 263 I CB -1.373 36.632 38.000 0.008 0.000 1.046 263 I HN 0.354 nan 8.210 nan 0.000 0.405 264 Q N 0.648 120.403 119.800 -0.075 0.000 2.096 264 Q HA -0.170 4.163 4.340 -0.013 0.000 0.204 264 Q C 2.357 178.314 176.000 -0.072 0.000 0.982 264 Q CA 2.030 57.801 55.803 -0.053 0.000 0.850 264 Q CB -0.388 28.339 28.738 -0.018 0.000 0.901 264 Q HN 0.553 nan 8.270 nan 0.000 0.422 265 A N -0.175 122.590 122.820 -0.091 0.000 1.883 265 A HA -0.154 4.158 4.320 -0.013 0.000 0.217 265 A C 2.392 179.908 177.584 -0.113 0.000 1.186 265 A CA 1.806 53.796 52.037 -0.078 0.000 0.624 265 A CB -0.709 18.256 19.000 -0.059 0.000 0.822 265 A HN 0.243 nan 8.150 nan 0.000 0.444 266 V N 0.101 119.883 119.914 -0.220 0.000 2.427 266 V HA -0.202 3.910 4.120 -0.013 0.000 0.248 266 V C 2.468 178.500 176.094 -0.104 0.000 1.051 266 V CA 1.706 63.891 62.300 -0.192 0.000 1.048 266 V CB -0.650 30.983 31.823 -0.317 0.000 0.666 266 V HN 0.557 nan 8.190 nan 0.000 0.456 267 L N -0.357 120.810 121.223 -0.094 0.000 2.217 267 L HA -0.094 4.239 4.340 -0.013 0.000 0.211 267 L C 1.837 178.688 176.870 -0.031 0.000 1.107 267 L CA 1.090 55.900 54.840 -0.050 0.000 0.783 267 L CB -0.572 41.462 42.059 -0.042 0.000 0.919 267 L HN 0.324 nan 8.230 nan 0.000 0.442 268 D N -0.032 120.348 120.400 -0.033 0.000 2.363 268 D HA -0.046 4.586 4.640 -0.013 0.000 0.226 268 D C 2.083 178.378 176.300 -0.008 0.000 1.020 268 D CA 0.378 54.367 54.000 -0.017 0.000 0.892 268 D CB 0.087 40.878 40.800 -0.015 0.000 0.900 268 D HN 0.194 nan 8.370 nan 0.000 0.531 269 R N 0.391 120.886 120.500 -0.009 0.000 2.148 269 R HA 0.024 4.356 4.340 -0.013 0.000 0.227 269 R C 0.375 176.681 176.300 0.010 0.000 1.103 269 R CA 0.519 56.622 56.100 0.006 0.000 0.983 269 R CB -0.015 30.289 30.300 0.006 0.000 0.874 269 R HN 0.063 nan 8.270 nan 0.000 0.451 270 N N 1.127 119.832 118.700 0.008 0.000 3.050 270 N HA 0.012 4.744 4.740 -0.013 0.000 0.289 270 N C 0.012 175.527 175.510 0.007 0.000 1.209 270 N CA 0.478 53.537 53.050 0.014 0.000 1.154 270 N CB 1.143 39.641 38.487 0.019 0.000 1.444 270 N HN 0.108 nan 8.380 nan 0.000 0.529 271 L N -0.361 120.862 121.223 0.001 0.000 3.188 271 L HA 0.202 4.534 4.340 -0.013 0.000 0.327 271 L C 1.569 178.423 176.870 -0.027 0.000 1.009 271 L CA 0.463 55.298 54.840 -0.009 0.000 1.373 271 L CB -0.210 41.843 42.059 -0.009 0.000 2.331 271 L HN 0.260 nan 8.230 nan 0.000 0.594 272 A N -0.855 121.953 122.820 -0.020 0.000 2.115 272 A HA 0.138 4.451 4.320 -0.013 0.000 0.211 272 A C 1.638 179.187 177.584 -0.057 0.000 1.169 272 A CA 0.717 52.731 52.037 -0.038 0.000 0.787 272 A CB -0.085 18.921 19.000 0.010 0.000 0.858 272 A HN 0.399 nan 8.150 nan 0.000 0.474 273 E N 0.103 120.290 120.200 -0.021 0.000 2.474 273 E HA -0.005 4.338 4.350 -0.013 0.000 0.194 273 E C 0.748 177.342 176.600 -0.009 0.000 1.041 273 E CA -0.163 56.231 56.400 -0.010 0.000 0.874 273 E CB 0.007 29.726 29.700 0.031 0.000 0.914 273 E HN 0.381 nan 8.360 nan 0.000 0.498 274 N N 0.973 119.665 118.700 -0.013 0.000 2.459 274 N HA -0.029 4.703 4.740 -0.013 0.000 0.181 274 N C 1.565 177.076 175.510 0.002 0.000 1.046 274 N CA 0.487 53.547 53.050 0.017 0.000 0.904 274 N CB 0.071 38.566 38.487 0.014 0.000 0.964 274 N HN 0.230 nan 8.380 nan 0.000 0.444 275 I N 0.331 120.845 120.570 -0.094 0.000 2.264 275 I HA -0.249 3.913 4.170 -0.013 0.000 0.248 275 I C 1.265 177.345 176.117 -0.061 0.000 1.111 275 I CA 1.243 62.450 61.300 -0.154 0.000 1.382 275 I CB -0.087 37.648 38.000 -0.441 0.000 1.060 275 I HN 0.122 nan 8.210 nan 0.000 0.418 276 S N -0.707 114.962 115.700 -0.052 0.000 2.574 276 S HA 0.196 4.658 4.470 -0.013 0.000 0.242 276 S C 1.414 176.152 174.600 0.230 0.000 0.982 276 S CA -0.601 57.658 58.200 0.098 0.000 0.977 276 S CB 0.230 63.474 63.200 0.075 0.000 0.814 276 S HN 0.244 nan 8.310 nan 0.000 0.464 277 R N 1.029 121.664 120.500 0.226 0.000 2.073 277 R HA 0.270 4.602 4.340 -0.013 0.000 0.229 277 R C 0.382 176.930 176.300 0.413 0.000 1.120 277 R CA 1.070 57.344 56.100 0.289 0.000 0.967 277 R CB -0.076 30.371 30.300 0.245 0.000 0.862 277 R HN 0.379 nan 8.270 nan 0.000 0.436 278 V N 0.452 120.564 119.914 0.331 0.000 2.888 278 V HA 0.371 4.483 4.120 -0.013 0.000 0.309 278 V C -1.492 174.540 176.094 -0.103 0.000 1.114 278 V CA -1.322 61.091 62.300 0.189 0.000 0.940 278 V CB 1.845 33.715 31.823 0.078 0.000 1.021 278 V HN 0.183 nan 8.190 nan 0.000 0.426 279 L N 6.126 127.061 121.223 -0.480 0.000 2.349 279 L HA 0.510 4.842 4.340 -0.013 0.000 0.275 279 L C -0.950 175.742 176.870 -0.297 0.000 1.115 279 L CA 0.327 54.679 54.840 -0.814 0.000 0.820 279 L CB 0.796 42.290 42.059 -0.940 0.000 1.135 279 L HN 0.687 nan 8.230 nan 0.000 0.445 280 Y N 6.257 126.464 120.300 -0.155 0.000 2.496 280 Y HA 0.230 4.773 4.550 -0.013 0.000 0.334 280 Y C -1.405 174.490 175.900 -0.009 0.000 1.080 280 Y CA -1.309 56.778 58.100 -0.022 0.000 1.355 280 Y CB 0.503 38.979 38.460 0.026 0.000 1.193 280 Y HN 0.560 nan 8.280 nan 0.000 0.523 281 P HA -0.009 nan 4.420 nan 0.000 0.258 281 P C -0.870 176.559 177.300 0.214 0.000 1.559 281 P CA 0.218 63.425 63.100 0.178 0.000 0.855 281 P CB 0.009 31.904 31.700 0.325 0.000 1.594 282 N N 1.245 120.082 118.700 0.228 0.000 2.438 282 N HA 0.148 4.880 4.740 -0.013 0.000 0.282 282 N C -0.485 175.177 175.510 0.253 0.000 1.037 282 N CA 0.174 53.380 53.050 0.259 0.000 0.942 282 N CB 1.246 39.925 38.487 0.320 0.000 1.136 282 N HN 0.122 nan 8.380 nan 0.000 0.481 283 D N 1.818 122.402 120.400 0.305 0.000 2.408 283 D HA 0.145 4.778 4.640 -0.013 0.000 0.243 283 D C -0.304 176.284 176.300 0.481 0.000 1.075 283 D CA -0.204 54.004 54.000 0.347 0.000 0.832 283 D CB 0.538 41.552 40.800 0.356 0.000 1.162 283 D HN 0.371 nan 8.370 nan 0.000 0.515 284 N N 2.652 121.554 118.700 0.337 0.000 2.727 284 N HA -0.256 4.477 4.740 -0.013 0.000 0.249 284 N C -1.168 174.575 175.510 0.389 0.000 1.048 284 N CA 0.753 53.965 53.050 0.269 0.000 0.714 284 N CB -0.972 37.579 38.487 0.107 0.000 0.959 284 N HN 0.411 nan 8.380 nan 0.000 0.544 285 F N 0.532 120.591 119.950 0.181 0.000 2.604 285 F HA 0.453 4.973 4.527 -0.013 0.000 0.316 285 F C -1.321 174.567 175.800 0.148 0.000 1.136 285 F CA -1.133 56.947 58.000 0.132 0.000 0.989 285 F CB 0.918 39.961 39.000 0.072 0.000 1.258 285 F HN -0.065 nan 8.300 nan 0.000 0.451 286 F N 5.652 125.186 119.950 -0.693 0.000 2.415 286 F HA 0.534 5.053 4.527 -0.013 0.000 0.348 286 F C -0.618 174.806 175.800 -0.626 0.000 1.119 286 F CA -0.375 57.305 58.000 -0.534 0.000 1.069 286 F CB 1.023 39.738 39.000 -0.474 0.000 1.124 286 F HN 0.516 nan 8.300 nan 0.000 0.472 287 E N 3.745 123.340 120.200 -1.008 0.000 2.186 287 E HA 0.285 4.627 4.350 -0.013 0.000 0.255 287 E C -0.138 175.723 176.600 -1.231 0.000 0.881 287 E CA -0.631 55.247 56.400 -0.869 0.000 0.752 287 E CB 1.304 30.846 29.700 -0.263 0.000 1.176 287 E HN 0.948 nan 8.360 nan 0.000 0.421 288 G N 4.575 112.577 108.800 -1.330 0.000 3.197 288 G HA2 0.006 3.959 3.960 -0.013 0.000 0.257 288 G HA3 0.006 3.959 3.960 -0.013 0.000 0.257 288 G C 0.137 174.993 174.900 -0.073 0.000 0.835 288 G CA -0.139 44.428 45.100 -0.888 0.000 2.001 288 G HN 0.123 nan 8.290 nan 0.000 0.625 289 K N 0.408 120.817 120.400 0.015 0.000 2.110 289 K HA 0.206 4.518 4.320 -0.013 0.000 0.263 289 K C 0.988 177.724 176.600 0.228 0.000 0.975 289 K CA -0.776 55.591 56.287 0.133 0.000 0.895 289 K CB 2.153 34.729 32.500 0.127 0.000 1.060 289 K HN 0.420 nan 8.250 nan 0.000 0.448 290 E N 1.450 121.745 120.200 0.159 0.000 2.077 290 E HA -0.198 4.144 4.350 -0.013 0.000 0.193 290 E C 1.476 178.105 176.600 0.049 0.000 0.989 290 E CA 0.878 57.321 56.400 0.072 0.000 0.800 290 E CB 0.160 29.902 29.700 0.071 0.000 0.746 290 E HN 0.379 nan 8.360 nan 0.000 0.452 291 L N 1.394 122.695 121.223 0.130 0.000 2.079 291 L HA -0.185 4.148 4.340 -0.013 0.000 0.210 291 L C 2.361 179.356 176.870 0.209 0.000 1.081 291 L CA 1.606 56.548 54.840 0.170 0.000 0.752 291 L CB -0.547 41.678 42.059 0.277 0.000 0.896 291 L HN 0.034 nan 8.230 nan 0.000 0.433 292 R N -0.534 120.054 120.500 0.147 0.000 2.062 292 R HA -0.120 4.213 4.340 -0.013 0.000 0.231 292 R C 2.232 178.593 176.300 0.100 0.000 1.136 292 R CA 1.724 57.845 56.100 0.036 0.000 0.948 292 R CB -1.296 28.871 30.300 -0.222 0.000 0.845 292 R HN 0.409 nan 8.270 nan 0.000 0.430 293 L N 1.604 122.782 121.223 -0.075 0.000 2.079 293 L HA -0.169 4.164 4.340 -0.013 0.000 0.210 293 L C 1.952 178.766 176.870 -0.093 0.000 1.081 293 L CA 1.943 56.535 54.840 -0.414 0.000 0.752 293 L CB -0.426 41.068 42.059 -0.941 0.000 0.896 293 L HN 0.073 nan 8.230 nan 0.000 0.433 294 K N -1.102 119.292 120.400 -0.011 0.000 2.057 294 K HA -0.175 4.138 4.320 -0.013 0.000 0.207 294 K C 2.097 178.852 176.600 0.258 0.000 1.049 294 K CA 1.706 58.054 56.287 0.103 0.000 0.931 294 K CB -0.155 32.248 32.500 -0.162 0.000 0.714 294 K HN 0.502 nan 8.250 nan 0.000 0.440 295 Q N 0.397 120.325 119.800 0.213 0.000 2.124 295 Q HA -0.187 4.145 4.340 -0.013 0.000 0.202 295 Q C 1.845 178.050 176.000 0.340 0.000 0.977 295 Q CA 1.345 57.333 55.803 0.308 0.000 0.850 295 Q CB 0.032 28.978 28.738 0.347 0.000 0.901 295 Q HN 0.383 nan 8.270 nan 0.000 0.429 296 E N -0.269 120.084 120.200 0.254 0.000 2.072 296 E HA -0.191 4.152 4.350 -0.013 0.000 0.191 296 E C 1.665 178.374 176.600 0.182 0.000 0.985 296 E CA 0.884 57.411 56.400 0.213 0.000 0.801 296 E CB -0.068 29.734 29.700 0.169 0.000 0.750 296 E HN 0.310 nan 8.360 nan 0.000 0.452 297 Y N 0.303 120.651 120.300 0.080 0.000 2.263 297 Y HA -0.193 4.349 4.550 -0.013 0.000 0.292 297 Y C 1.918 177.855 175.900 0.062 0.000 1.130 297 Y CA 0.945 59.045 58.100 0.000 0.000 1.179 297 Y CB -0.358 38.073 38.460 -0.048 0.000 0.998 297 Y HN 0.021 nan 8.280 nan 0.000 0.532 298 F N -0.216 119.723 119.950 -0.019 0.000 2.065 298 F HA -0.257 4.262 4.527 -0.013 0.000 0.298 298 F C 2.478 178.129 175.800 -0.248 0.000 1.112 298 F CA 2.098 60.051 58.000 -0.078 0.000 1.212 298 F CB -1.103 37.999 39.000 0.170 0.000 0.975 298 F HN -0.067 nan 8.300 nan 0.000 0.476 299 V N -0.464 119.371 119.914 -0.132 0.000 2.515 299 V HA -0.182 3.930 4.120 -0.013 0.000 0.250 299 V C 2.134 178.053 176.094 -0.291 0.000 1.058 299 V CA 1.823 64.003 62.300 -0.200 0.000 1.064 299 V CB -0.333 31.590 31.823 0.168 0.000 0.675 299 V HN 0.272 nan 8.190 nan 0.000 0.461 300 V N 0.389 120.142 119.914 -0.268 0.000 2.283 300 V HA -0.133 3.980 4.120 -0.013 0.000 0.243 300 V C 2.811 178.638 176.094 -0.445 0.000 1.039 300 V CA 2.001 64.135 62.300 -0.277 0.000 1.016 300 V CB -1.098 30.620 31.823 -0.176 0.000 0.650 300 V HN 0.625 nan 8.190 nan 0.000 0.449 301 A N 0.086 122.482 122.820 -0.708 0.000 1.865 301 A HA -0.176 4.136 4.320 -0.013 0.000 0.217 301 A C 2.422 179.642 177.584 -0.608 0.000 1.191 301 A CA 2.401 54.020 52.037 -0.698 0.000 0.623 301 A CB -0.961 17.415 19.000 -1.041 0.000 0.826 301 A HN 0.576 nan 8.150 nan 0.000 0.444 302 A N -1.154 121.151 122.820 -0.859 0.000 1.877 302 A HA -0.095 4.217 4.320 -0.013 0.000 0.216 302 A C 2.327 179.394 177.584 -0.863 0.000 1.186 302 A CA 2.389 53.738 52.037 -1.146 0.000 0.620 302 A CB -1.379 16.346 19.000 -2.124 0.000 0.822 302 A HN 0.447 nan 8.150 nan 0.000 0.443 303 T N 0.396 114.561 114.554 -0.649 0.000 2.708 303 T HA -0.107 4.236 4.350 -0.013 0.000 0.266 303 T C 1.825 176.235 174.700 -0.484 0.000 1.037 303 T CA 1.477 63.310 62.100 -0.445 0.000 1.146 303 T CB -0.391 68.200 68.868 -0.462 0.000 0.865 303 T HN 0.336 nan 8.240 nan 0.000 0.435 304 L N 0.700 121.691 121.223 -0.388 0.000 2.083 304 L HA -0.169 4.164 4.340 -0.013 0.000 0.209 304 L C 2.926 179.672 176.870 -0.207 0.000 1.083 304 L CA 1.413 56.082 54.840 -0.285 0.000 0.752 304 L CB -0.485 41.448 42.059 -0.210 0.000 0.899 304 L HN 0.350 nan 8.230 nan 0.000 0.433 305 Q N -0.722 118.958 119.800 -0.200 0.000 2.124 305 Q HA -0.242 4.091 4.340 -0.013 0.000 0.202 305 Q C 1.720 177.682 176.000 -0.063 0.000 0.977 305 Q CA 1.615 57.352 55.803 -0.111 0.000 0.850 305 Q CB -0.115 28.550 28.738 -0.121 0.000 0.901 305 Q HN 0.417 nan 8.270 nan 0.000 0.429 306 D N 0.551 120.902 120.400 -0.081 0.000 2.117 306 D HA -0.078 4.554 4.640 -0.013 0.000 0.198 306 D C 1.672 177.912 176.300 -0.100 0.000 0.982 306 D CA 0.791 54.788 54.000 -0.006 0.000 0.828 306 D CB 0.015 40.910 40.800 0.158 0.000 0.967 306 D HN 0.155 nan 8.370 nan 0.000 0.464 307 I N 0.064 120.471 120.570 -0.272 0.000 2.179 307 I HA -0.223 3.939 4.170 -0.013 0.000 0.242 307 I C 2.251 178.383 176.117 0.024 0.000 1.088 307 I CA 0.730 61.829 61.300 -0.335 0.000 1.357 307 I CB -0.088 37.563 38.000 -0.583 0.000 1.051 307 I HN 0.018 nan 8.210 nan 0.000 0.409 308 I N 0.297 120.927 120.570 0.100 0.000 2.315 308 I HA -0.280 3.882 4.170 -0.013 0.000 0.248 308 I C 2.765 179.024 176.117 0.237 0.000 1.117 308 I CA 1.067 62.535 61.300 0.279 0.000 1.404 308 I CB -0.358 37.760 38.000 0.197 0.000 1.071 308 I HN 0.195 nan 8.210 nan 0.000 0.419 309 R N 1.146 121.720 120.500 0.122 0.000 2.073 309 R HA -0.206 4.126 4.340 -0.013 0.000 0.234 309 R C 2.442 178.799 176.300 0.095 0.000 1.134 309 R CA 1.599 57.755 56.100 0.093 0.000 0.952 309 R CB -0.248 30.087 30.300 0.060 0.000 0.850 309 R HN 0.216 nan 8.270 nan 0.000 0.433 310 R N -0.601 119.960 120.500 0.101 0.000 2.081 310 R HA -0.167 4.165 4.340 -0.013 0.000 0.235 310 R C 2.187 178.579 176.300 0.153 0.000 1.131 310 R CA 1.812 57.983 56.100 0.118 0.000 0.960 310 R CB -0.382 29.987 30.300 0.116 0.000 0.856 310 R HN 0.266 nan 8.270 nan 0.000 0.436 311 F N 1.683 121.654 119.950 0.034 0.000 2.146 311 F HA -0.125 4.394 4.527 -0.013 0.000 0.298 311 F C 1.681 177.428 175.800 -0.089 0.000 1.096 311 F CA 1.484 59.460 58.000 -0.040 0.000 1.275 311 F CB -0.034 38.984 39.000 0.031 0.000 1.008 311 F HN -0.157 nan 8.300 nan 0.000 0.480 312 K N -0.105 120.197 120.400 -0.164 0.000 2.280 312 K HA -0.104 4.209 4.320 -0.013 0.000 0.202 312 K C 2.121 178.619 176.600 -0.169 0.000 1.047 312 K CA 1.318 57.454 56.287 -0.253 0.000 0.942 312 K CB -0.195 32.284 32.500 -0.035 0.000 0.739 312 K HN 0.279 nan 8.250 nan 0.000 0.457 313 S N 0.168 115.831 115.700 -0.062 0.000 2.310 313 S HA -0.037 4.426 4.470 -0.013 0.000 0.205 313 S C 1.305 175.920 174.600 0.026 0.000 1.020 313 S CA 0.263 58.481 58.200 0.031 0.000 0.939 313 S CB -0.081 63.197 63.200 0.130 0.000 0.919 313 S HN 0.249 nan 8.310 nan 0.000 0.501 314 S N 0.817 116.546 115.700 0.048 0.000 4.134 314 S HA -0.298 4.165 4.470 -0.013 0.000 0.538 314 S C 1.015 175.632 174.600 0.028 0.000 1.224 314 S CA 2.162 60.402 58.200 0.067 0.000 3.613 314 S CB -0.649 62.620 63.200 0.116 0.000 2.065 314 S HN 0.485 nan 8.310 nan 0.000 0.493 315 K N -0.653 119.815 120.400 0.115 0.000 2.483 315 K HA 0.441 4.754 4.320 -0.013 0.000 0.206 315 K C 0.855 177.360 176.600 -0.159 0.000 1.086 315 K CA 0.017 56.263 56.287 -0.069 0.000 1.052 315 K CB 0.251 32.661 32.500 -0.151 0.000 0.904 315 K HN 0.326 nan 8.250 nan 0.000 0.557 316 F N -0.739 119.085 119.950 -0.210 0.000 2.446 316 F HA 0.235 4.754 4.527 -0.013 0.000 0.292 316 F C 1.803 177.488 175.800 -0.192 0.000 1.096 316 F CA 0.226 58.084 58.000 -0.235 0.000 1.438 316 F CB -0.036 38.708 39.000 -0.427 0.000 1.107 316 F HN -0.002 nan 8.300 nan 0.000 0.546 317 G N -1.655 107.163 108.800 0.029 0.000 3.452 317 G HA2 0.248 4.200 3.960 -0.013 0.000 0.258 317 G HA3 0.248 4.200 3.960 -0.013 0.000 0.258 317 G C 0.361 175.263 174.900 0.004 0.000 1.305 317 G CA 0.413 45.513 45.100 -0.000 0.000 1.514 317 G HN 0.439 nan 8.290 nan 0.000 0.593 318 C N -1.413 117.875 119.300 -0.020 0.000 3.692 318 C HA 0.349 4.801 4.460 -0.013 0.000 0.448 318 C C 1.275 176.234 174.990 -0.051 0.000 1.278 318 C CA 0.798 59.797 59.018 -0.032 0.000 2.229 318 C CB 0.464 28.174 27.740 -0.049 0.000 2.815 318 C HN 0.594 nan 8.230 nan 0.000 0.440 319 R N 0.971 121.417 120.500 -0.091 0.000 3.342 319 R HA 0.369 4.701 4.340 -0.013 0.000 0.093 319 R C -0.295 175.903 176.300 -0.169 0.000 0.672 319 R CA 1.003 57.041 56.100 -0.103 0.000 0.495 319 R CB -1.019 29.225 30.300 -0.093 0.000 0.508 319 R HN 0.276 nan 8.270 nan 0.000 0.335 320 D N -0.254 120.011 120.400 -0.225 0.000 3.455 320 D HA -0.137 4.495 4.640 -0.013 0.000 0.216 320 D C -1.600 174.595 176.300 -0.175 0.000 1.510 320 D CA 1.504 55.314 54.000 -0.316 0.000 1.128 320 D CB -1.278 39.114 40.800 -0.680 0.000 0.680 320 D HN 0.410 nan 8.370 nan 0.000 0.828 321 P HA 0.046 nan 4.420 nan 0.000 0.222 321 P C 0.382 177.667 177.300 -0.024 0.000 1.147 321 P CA 0.895 63.965 63.100 -0.050 0.000 0.790 321 P CB 0.259 31.959 31.700 -0.001 0.000 0.780 322 V N -0.540 119.359 119.914 -0.025 0.000 3.559 322 V HA -0.207 3.905 4.120 -0.013 0.000 0.476 322 V C -0.294 175.815 176.094 0.024 0.000 0.682 322 V CA 1.152 63.450 62.300 -0.004 0.000 1.988 322 V CB -1.255 30.559 31.823 -0.014 0.000 2.423 322 V HN 0.577 nan 8.190 nan 0.000 0.500 323 R N 2.853 123.378 120.500 0.041 0.000 7.995 323 R HA 0.033 4.365 4.340 -0.013 0.000 0.256 323 R C -0.030 176.316 176.300 0.076 0.000 0.802 323 R CA 0.489 56.624 56.100 0.058 0.000 1.968 323 R CB -0.174 30.164 30.300 0.063 0.000 1.186 323 R HN 0.786 nan 8.270 nan 0.000 0.950 324 T N 2.958 117.552 114.554 0.067 0.000 3.057 324 T HA -0.014 4.328 4.350 -0.013 0.000 0.232 324 T C 0.224 174.970 174.700 0.077 0.000 1.018 324 T CA 0.303 62.417 62.100 0.023 0.000 1.506 324 T CB -0.795 68.113 68.868 0.066 0.000 1.063 324 T HN 0.348 nan 8.240 nan 0.000 0.613 325 N N 1.363 120.122 118.700 0.097 0.000 2.420 325 N HA 0.282 5.014 4.740 -0.013 0.000 0.249 325 N C 0.134 175.732 175.510 0.147 0.000 1.033 325 N CA -0.506 52.647 53.050 0.171 0.000 0.944 325 N CB 0.419 39.018 38.487 0.186 0.000 1.113 325 N HN 0.378 nan 8.380 nan 0.000 0.502 326 F N 0.685 120.731 119.950 0.161 0.000 2.769 326 F HA 0.038 4.558 4.527 -0.013 0.000 0.304 326 F C 1.526 177.375 175.800 0.082 0.000 1.158 326 F CA 0.171 58.233 58.000 0.102 0.000 1.398 326 F CB 0.153 39.097 39.000 -0.093 0.000 1.094 326 F HN 0.565 nan 8.300 nan 0.000 0.553 327 D N 0.135 120.674 120.400 0.232 0.000 2.219 327 D HA -0.107 4.525 4.640 -0.013 0.000 0.205 327 D C 2.104 178.503 176.300 0.165 0.000 0.970 327 D CA 1.114 55.218 54.000 0.173 0.000 0.851 327 D CB 0.167 41.059 40.800 0.153 0.000 0.943 327 D HN 0.332 nan 8.370 nan 0.000 0.488 328 A N -0.076 122.875 122.820 0.217 0.000 2.275 328 A HA 0.052 4.364 4.320 -0.013 0.000 0.212 328 A C 1.551 179.154 177.584 0.031 0.000 1.201 328 A CA -0.344 51.824 52.037 0.220 0.000 0.843 328 A CB -0.426 18.873 19.000 0.498 0.000 0.873 328 A HN 0.076 nan 8.150 nan 0.000 0.492 329 F N 2.187 121.941 119.950 -0.327 0.000 2.065 329 F HA -0.127 4.392 4.527 -0.012 0.000 0.298 329 F C -0.797 174.791 175.800 -0.354 0.000 1.112 329 F CA 2.395 59.952 58.000 -0.737 0.000 1.212 329 F CB -0.982 37.695 39.000 -0.537 0.000 0.975 329 F HN 0.185 nan 8.300 nan 0.000 0.476 330 P HA -0.127 nan 4.420 nan 0.000 0.219 330 P C 0.887 178.106 177.300 -0.136 0.000 1.146 330 P CA 1.810 64.831 63.100 -0.131 0.000 0.808 330 P CB -0.104 31.572 31.700 -0.039 0.000 0.779 331 D N -1.146 119.205 120.400 -0.082 0.000 2.317 331 D HA -0.047 4.586 4.640 -0.013 0.000 0.211 331 D C 1.575 177.853 176.300 -0.036 0.000 0.966 331 D CA 0.910 54.897 54.000 -0.022 0.000 0.876 331 D CB -0.006 40.828 40.800 0.057 0.000 0.927 331 D HN 0.154 nan 8.370 nan 0.000 0.519 332 K N -0.205 120.117 120.400 -0.131 0.000 2.391 332 K HA 0.210 4.522 4.320 -0.013 0.000 0.197 332 K C 0.127 176.584 176.600 -0.238 0.000 1.087 332 K CA 0.109 56.330 56.287 -0.110 0.000 1.012 332 K CB 2.043 34.555 32.500 0.020 0.000 0.925 332 K HN -0.042 nan 8.250 nan 0.000 0.547 333 V N 0.783 120.436 119.914 -0.434 0.000 2.823 333 V HA 0.723 4.836 4.120 -0.013 0.000 0.312 333 V C -1.134 174.814 176.094 -0.243 0.000 1.072 333 V CA -1.203 60.850 62.300 -0.412 0.000 0.937 333 V CB 1.935 33.214 31.823 -0.907 0.000 1.013 333 V HN 0.128 nan 8.190 nan 0.000 0.430 334 A N 4.600 127.350 122.820 -0.116 0.000 2.442 334 A HA 0.839 5.151 4.320 -0.013 0.000 0.284 334 A C -1.144 176.439 177.584 -0.001 0.000 1.058 334 A CA -0.374 51.635 52.037 -0.047 0.000 0.738 334 A CB 1.179 20.114 19.000 -0.108 0.000 1.242 334 A HN 1.235 nan 8.150 nan 0.000 0.421 335 I N 0.705 121.329 120.570 0.090 0.000 2.389 335 I HA 0.714 4.876 4.170 -0.013 0.000 0.288 335 I C -0.553 175.646 176.117 0.138 0.000 0.999 335 I CA -0.419 60.953 61.300 0.121 0.000 1.129 335 I CB 1.791 39.847 38.000 0.092 0.000 1.288 335 I HN 0.520 nan 8.210 nan 0.000 0.444 336 Q N 6.013 125.898 119.800 0.141 0.000 2.303 336 Q HA 0.487 4.819 4.340 -0.013 0.000 0.257 336 Q C -1.545 174.463 176.000 0.014 0.000 0.941 336 Q CA -0.421 55.498 55.803 0.192 0.000 0.931 336 Q CB 1.357 30.321 28.738 0.376 0.000 1.215 336 Q HN 0.758 nan 8.270 nan 0.000 0.437 337 L N 4.402 125.670 121.223 0.074 0.000 2.268 337 L HA 0.290 4.623 4.340 -0.013 0.000 0.289 337 L C -0.158 176.748 176.870 0.060 0.000 1.064 337 L CA -0.118 54.754 54.840 0.053 0.000 0.824 337 L CB 0.373 42.501 42.059 0.116 0.000 1.202 337 L HN 0.595 nan 8.230 nan 0.000 0.433 338 N N 4.058 122.705 118.700 -0.087 0.000 2.549 338 N HA 0.113 4.846 4.740 -0.013 0.000 0.267 338 N C -0.061 175.481 175.510 0.053 0.000 1.182 338 N CA 0.561 53.607 53.050 -0.007 0.000 1.019 338 N CB -0.227 38.151 38.487 -0.181 0.000 1.380 338 N HN 0.569 nan 8.380 nan 0.000 0.505 339 D N -0.480 120.057 120.400 0.229 0.000 3.905 339 D HA -0.218 4.415 4.640 -0.013 0.000 0.274 339 D C 0.377 176.755 176.300 0.131 0.000 2.034 339 D CA 1.542 55.657 54.000 0.191 0.000 1.180 339 D CB -0.736 39.898 40.800 -0.278 0.000 0.918 339 D HN 0.447 nan 8.370 nan 0.000 1.125 340 T N -2.463 112.064 114.554 -0.046 0.000 3.107 340 T HA 0.149 4.492 4.350 -0.013 0.000 0.249 340 T C 1.647 176.383 174.700 0.061 0.000 1.096 340 T CA 1.447 63.504 62.100 -0.072 0.000 1.012 340 T CB -0.512 68.290 68.868 -0.110 0.000 0.977 340 T HN 0.504 nan 8.240 nan 0.000 0.527 341 H N 2.626 121.765 119.070 0.115 0.000 2.353 341 H HA -0.006 4.542 4.556 -0.013 0.000 0.298 341 H C -0.879 174.525 175.328 0.126 0.000 1.103 341 H CA 1.094 57.229 56.048 0.146 0.000 1.293 341 H CB -0.822 29.030 29.762 0.151 0.000 1.372 341 H HN 0.438 nan 8.280 nan 0.000 0.501 342 P HA 0.076 nan 4.420 nan 0.000 0.259 342 P C 0.829 178.162 177.300 0.054 0.000 1.530 342 P CA 0.340 63.510 63.100 0.117 0.000 1.022 342 P CB 0.350 32.109 31.700 0.098 0.000 1.514 343 S N 0.064 115.788 115.700 0.040 0.000 2.400 343 S HA -0.155 4.308 4.470 -0.013 0.000 0.232 343 S C 1.763 176.358 174.600 -0.007 0.000 1.025 343 S CA 0.918 59.102 58.200 -0.027 0.000 0.993 343 S CB -1.579 61.582 63.200 -0.065 0.000 0.808 343 S HN 0.149 nan 8.310 nan 0.000 0.478 344 L N 1.137 122.373 121.223 0.022 0.000 2.549 344 L HA -0.010 4.322 4.340 -0.013 0.000 0.230 344 L C 2.941 179.846 176.870 0.059 0.000 1.162 344 L CA 0.629 55.490 54.840 0.036 0.000 0.834 344 L CB -0.785 41.298 42.059 0.041 0.000 0.947 344 L HN 0.492 nan 8.230 nan 0.000 0.452 345 A N 0.514 123.345 122.820 0.019 0.000 1.972 345 A HA -0.189 4.123 4.320 -0.013 0.000 0.219 345 A C 2.168 179.748 177.584 -0.005 0.000 1.169 345 A CA 1.448 53.482 52.037 -0.006 0.000 0.635 345 A CB -0.429 18.556 19.000 -0.025 0.000 0.810 345 A HN 0.351 nan 8.150 nan 0.000 0.446 346 I N 0.383 120.950 120.570 -0.004 0.000 2.090 346 I HA -0.158 4.005 4.170 -0.013 0.000 0.236 346 I C -0.351 175.781 176.117 0.025 0.000 1.064 346 I CA 1.758 63.054 61.300 -0.006 0.000 1.324 346 I CB -0.896 37.104 38.000 0.000 0.000 1.044 346 I HN 0.246 nan 8.210 nan 0.000 0.399 347 P HA -0.173 nan 4.420 nan 0.000 0.223 347 P C 1.240 178.542 177.300 0.002 0.000 1.151 347 P CA 1.497 64.625 63.100 0.047 0.000 0.787 347 P CB 0.037 31.787 31.700 0.084 0.000 0.788 348 E N 0.139 120.407 120.200 0.113 0.000 2.112 348 E HA -0.120 4.222 4.350 -0.013 0.000 0.190 348 E C 1.887 178.464 176.600 -0.037 0.000 0.979 348 E CA 0.502 56.986 56.400 0.140 0.000 0.814 348 E CB -1.119 28.726 29.700 0.241 0.000 0.762 348 E HN -0.019 nan 8.360 nan 0.000 0.460 349 L N 0.041 121.218 121.223 -0.078 0.000 2.093 349 L HA -0.034 4.298 4.340 -0.013 0.000 0.208 349 L C 1.941 178.670 176.870 -0.235 0.000 1.085 349 L CA 1.636 56.377 54.840 -0.165 0.000 0.755 349 L CB -0.532 41.438 42.059 -0.147 0.000 0.904 349 L HN 0.239 nan 8.230 nan 0.000 0.435 350 M N -0.731 118.744 119.600 -0.208 0.000 2.099 350 M HA -0.167 4.305 4.480 -0.013 0.000 0.262 350 M C 2.409 178.530 176.300 -0.298 0.000 1.067 350 M CA 1.483 56.603 55.300 -0.299 0.000 1.124 350 M CB -1.143 31.270 32.600 -0.311 0.000 1.353 350 M HN 0.310 nan 8.290 nan 0.000 0.410 351 R N 0.004 120.353 120.500 -0.251 0.000 2.094 351 R HA -0.156 4.177 4.340 -0.013 0.000 0.239 351 R C 2.054 178.240 176.300 -0.190 0.000 1.137 351 R CA 1.913 57.868 56.100 -0.241 0.000 0.943 351 R CB -0.305 29.798 30.300 -0.329 0.000 0.850 351 R HN 0.198 nan 8.270 nan 0.000 0.433 352 V N 1.445 121.248 119.914 -0.184 0.000 2.261 352 V HA -0.271 3.842 4.120 -0.013 0.000 0.246 352 V C 2.476 178.409 176.094 -0.268 0.000 1.047 352 V CA 1.915 64.104 62.300 -0.186 0.000 1.015 352 V CB -0.459 31.252 31.823 -0.188 0.000 0.642 352 V HN 0.358 nan 8.190 nan 0.000 0.446 353 L N -0.650 120.349 121.223 -0.373 0.000 2.012 353 L HA -0.185 4.147 4.340 -0.013 0.000 0.210 353 L C 2.412 179.094 176.870 -0.313 0.000 1.073 353 L CA 1.373 55.931 54.840 -0.471 0.000 0.748 353 L CB -0.632 41.115 42.059 -0.520 0.000 0.891 353 L HN 0.212 nan 8.230 nan 0.000 0.431 354 V N -0.543 119.222 119.914 -0.248 0.000 2.300 354 V HA -0.201 3.912 4.120 -0.013 0.000 0.241 354 V C 2.065 178.107 176.094 -0.087 0.000 1.034 354 V CA 1.752 63.964 62.300 -0.147 0.000 1.021 354 V CB -0.333 31.414 31.823 -0.127 0.000 0.662 354 V HN 0.365 nan 8.190 nan 0.000 0.458 355 D N 0.088 120.434 120.400 -0.091 0.000 2.097 355 D HA -0.078 4.555 4.640 -0.013 0.000 0.197 355 D C 2.089 178.357 176.300 -0.052 0.000 0.984 355 D CA 1.363 55.329 54.000 -0.056 0.000 0.826 355 D CB -0.121 40.642 40.800 -0.062 0.000 0.973 355 D HN 0.310 nan 8.370 nan 0.000 0.460 356 L N 0.395 121.572 121.223 -0.077 0.000 2.130 356 L HA 0.046 4.378 4.340 -0.013 0.000 0.200 356 L C 2.056 178.889 176.870 -0.062 0.000 1.075 356 L CA 0.679 55.483 54.840 -0.059 0.000 0.768 356 L CB -0.249 41.775 42.059 -0.058 0.000 0.933 356 L HN -0.131 nan 8.230 nan 0.000 0.451 357 E N 0.661 120.788 120.200 -0.121 0.000 2.371 357 E HA -0.012 4.330 4.350 -0.013 0.000 0.194 357 E C 0.120 176.680 176.600 -0.068 0.000 1.012 357 E CA 0.028 56.363 56.400 -0.108 0.000 0.860 357 E CB 0.176 29.706 29.700 -0.283 0.000 0.811 357 E HN 0.275 nan 8.360 nan 0.000 0.502 358 R N -0.066 120.389 120.500 -0.075 0.000 3.418 358 R HA -0.182 4.151 4.340 -0.013 0.000 0.274 358 R C -0.563 175.721 176.300 -0.027 0.000 1.108 358 R CA 0.211 56.291 56.100 -0.033 0.000 0.741 358 R CB -2.506 27.793 30.300 -0.001 0.000 1.223 358 R HN 0.043 nan 8.270 nan 0.000 0.434 359 L N 1.723 122.903 121.223 -0.072 0.000 2.399 359 L HA 0.220 4.552 4.340 -0.013 0.000 0.265 359 L C 1.220 178.083 176.870 -0.012 0.000 1.089 359 L CA 0.001 54.811 54.840 -0.050 0.000 0.802 359 L CB 0.572 42.556 42.059 -0.125 0.000 1.180 359 L HN 0.137 nan 8.230 nan 0.000 0.454 360 D N 0.458 120.877 120.400 0.032 0.000 2.362 360 D HA -0.125 4.508 4.640 -0.013 0.000 0.242 360 D C 0.984 177.351 176.300 0.112 0.000 1.132 360 D CA -0.505 53.548 54.000 0.089 0.000 0.907 360 D CB 0.739 41.598 40.800 0.098 0.000 1.195 360 D HN 0.593 nan 8.370 nan 0.000 0.429 361 W N 2.247 123.553 121.300 0.011 0.000 2.289 361 W HA -0.268 4.384 4.660 -0.013 0.000 0.331 361 W C 1.208 177.777 176.519 0.083 0.000 1.283 361 W CA 2.103 59.462 57.345 0.023 0.000 1.252 361 W CB -0.345 29.109 29.460 -0.011 0.000 1.153 361 W HN 0.504 nan 8.180 nan 0.000 0.467 362 D N 0.027 120.644 120.400 0.361 0.000 2.158 362 D HA -0.211 4.422 4.640 -0.013 0.000 0.197 362 D C 2.048 178.456 176.300 0.180 0.000 0.995 362 D CA 1.441 55.620 54.000 0.298 0.000 0.846 362 D CB -0.426 40.521 40.800 0.244 0.000 0.941 362 D HN 0.122 nan 8.370 nan 0.000 0.456 363 K N 0.913 121.375 120.400 0.104 0.000 2.062 363 K HA -0.001 4.312 4.320 -0.013 0.000 0.205 363 K C 1.988 178.584 176.600 -0.006 0.000 1.051 363 K CA 0.813 57.134 56.287 0.057 0.000 0.941 363 K CB -0.191 32.338 32.500 0.048 0.000 0.719 363 K HN 0.021 nan 8.250 nan 0.000 0.440 364 A N 0.789 123.562 122.820 -0.078 0.000 1.902 364 A HA -0.185 4.128 4.320 -0.013 0.000 0.217 364 A C 2.119 179.613 177.584 -0.151 0.000 1.181 364 A CA 1.210 53.130 52.037 -0.194 0.000 0.623 364 A CB -1.016 17.793 19.000 -0.320 0.000 0.818 364 A HN 0.632 nan 8.150 nan 0.000 0.443 365 W N 0.687 121.789 121.300 -0.331 0.000 2.358 365 W HA -0.176 4.477 4.660 -0.012 0.000 0.303 365 W C 2.014 178.482 176.519 -0.084 0.000 1.208 365 W CA 1.841 59.047 57.345 -0.232 0.000 1.274 365 W CB -0.107 29.278 29.460 -0.125 0.000 1.138 365 W HN 0.599 nan 8.180 nan 0.000 0.515 366 E N 0.092 120.288 120.200 -0.007 0.000 2.085 366 E HA -0.222 4.120 4.350 -0.013 0.000 0.194 366 E C 2.014 178.539 176.600 -0.124 0.000 0.994 366 E CA 1.838 58.196 56.400 -0.070 0.000 0.801 366 E CB -0.259 29.459 29.700 0.031 0.000 0.743 366 E HN 0.085 nan 8.360 nan 0.000 0.453 367 V N 0.627 120.483 119.914 -0.096 0.000 2.307 367 V HA -0.244 3.869 4.120 -0.013 0.000 0.245 367 V C 2.421 178.455 176.094 -0.101 0.000 1.045 367 V CA 2.158 64.421 62.300 -0.062 0.000 1.024 367 V CB -0.796 30.988 31.823 -0.065 0.000 0.651 367 V HN 0.360 nan 8.190 nan 0.000 0.449 368 T N 0.167 114.592 114.554 -0.215 0.000 2.652 368 T HA -0.197 4.145 4.350 -0.013 0.000 0.267 368 T C 1.951 176.473 174.700 -0.298 0.000 1.039 368 T CA 1.864 63.812 62.100 -0.253 0.000 1.153 368 T CB -0.323 68.340 68.868 -0.342 0.000 0.863 368 T HN 0.263 nan 8.240 nan 0.000 0.428 369 V N 1.178 120.785 119.914 -0.512 0.000 2.392 369 V HA -0.170 3.943 4.120 -0.013 0.000 0.249 369 V C 2.375 178.407 176.094 -0.103 0.000 1.059 369 V CA 1.636 63.689 62.300 -0.413 0.000 1.051 369 V CB -0.471 31.028 31.823 -0.540 0.000 0.658 369 V HN 0.430 nan 8.190 nan 0.000 0.455 370 K N -0.390 119.942 120.400 -0.114 0.000 2.365 370 K HA -0.099 4.213 4.320 -0.013 0.000 0.199 370 K C 2.118 178.692 176.600 -0.042 0.000 1.045 370 K CA 1.476 57.701 56.287 -0.103 0.000 0.962 370 K CB -0.091 32.343 32.500 -0.110 0.000 0.759 370 K HN 0.650 nan 8.250 nan 0.000 0.469 371 T N -2.140 112.441 114.554 0.045 0.000 2.990 371 T HA 0.103 4.445 4.350 -0.013 0.000 0.250 371 T C 0.558 175.354 174.700 0.161 0.000 1.041 371 T CA -0.349 61.802 62.100 0.085 0.000 1.010 371 T CB 0.015 68.926 68.868 0.073 0.000 1.003 371 T HN 0.000 nan 8.240 nan 0.000 0.499 372 C N 2.769 122.153 119.300 0.140 0.000 2.388 372 C HA 0.910 5.363 4.460 -0.013 0.000 0.362 372 C C 0.585 175.617 174.990 0.070 0.000 1.266 372 C CA -0.805 58.270 59.018 0.095 0.000 2.028 372 C CB 0.031 27.766 27.740 -0.007 0.000 2.440 372 C HN 0.739 nan 8.230 nan 0.000 0.547 373 A N 2.517 125.376 122.820 0.065 0.000 2.422 373 A HA 0.732 5.044 4.320 -0.013 0.000 0.302 373 A C -1.532 176.117 177.584 0.108 0.000 1.041 373 A CA -0.362 51.663 52.037 -0.021 0.000 0.708 373 A CB 1.027 20.048 19.000 0.035 0.000 1.257 373 A HN 0.864 nan 8.150 nan 0.000 0.414 374 Y N 1.159 121.398 120.300 -0.101 0.000 2.393 374 Y HA 0.711 5.254 4.550 -0.012 0.000 0.341 374 Y C -0.495 175.377 175.900 -0.046 0.000 0.988 374 Y CA -0.708 57.346 58.100 -0.077 0.000 1.078 374 Y CB 2.072 40.442 38.460 -0.150 0.000 1.203 374 Y HN 0.548 nan 8.280 nan 0.000 0.453 375 T N 6.889 121.256 114.554 -0.312 0.000 2.786 375 T HA 0.246 4.589 4.350 -0.013 0.000 0.283 375 T C -0.787 173.448 174.700 -0.774 0.000 0.992 375 T CA -0.849 60.978 62.100 -0.456 0.000 0.954 375 T CB 0.412 69.238 68.868 -0.070 0.000 0.934 375 T HN 0.668 nan 8.240 nan 0.000 0.440 376 N N 1.588 119.818 118.700 -0.783 0.000 2.498 376 N HA 0.161 4.893 4.740 -0.013 0.000 0.287 376 N C -0.028 175.342 175.510 -0.234 0.000 1.097 376 N CA -0.301 52.523 53.050 -0.376 0.000 0.973 376 N CB 0.795 39.225 38.487 -0.094 0.000 1.153 376 N HN 0.688 nan 8.380 nan 0.000 0.472 377 H N 0.581 119.689 119.070 0.063 0.000 3.233 377 H HA 0.168 4.717 4.556 -0.013 0.000 0.263 377 H C -0.267 174.986 175.328 -0.126 0.000 1.168 377 H CA -0.084 55.943 56.048 -0.035 0.000 1.159 377 H CB 1.148 30.893 29.762 -0.028 0.000 1.593 377 H HN 0.532 nan 8.280 nan 0.000 0.580 378 T N 0.277 114.870 114.554 0.065 0.000 2.827 378 T HA 0.246 4.589 4.350 -0.013 0.000 0.328 378 T C 0.268 174.998 174.700 0.050 0.000 1.598 378 T CA -0.321 61.765 62.100 -0.023 0.000 1.043 378 T CB 1.332 70.173 68.868 -0.045 0.000 1.447 378 T HN -0.046 nan 8.240 nan 0.000 0.491 379 V N 1.538 121.441 119.914 -0.018 0.000 3.477 379 V HA 0.502 4.615 4.120 -0.013 0.000 0.297 379 V C 0.872 176.930 176.094 -0.059 0.000 1.433 379 V CA -0.055 62.224 62.300 -0.035 0.000 1.052 379 V CB -0.670 31.136 31.823 -0.029 0.000 0.895 379 V HN 0.803 nan 8.190 nan 0.000 0.438 380 I N -0.196 120.328 120.570 -0.076 0.000 2.556 380 I HA 0.332 4.495 4.170 -0.013 0.000 0.284 380 I C -0.713 175.395 176.117 -0.016 0.000 1.114 380 I CA -1.733 59.543 61.300 -0.041 0.000 1.418 380 I CB 0.662 38.628 38.000 -0.057 0.000 1.394 380 I HN -0.052 nan 8.210 nan 0.000 0.552 381 P HA -0.241 nan 4.420 nan 0.000 0.216 381 P C 1.062 178.351 177.300 -0.018 0.000 1.150 381 P CA 1.569 64.662 63.100 -0.012 0.000 0.837 381 P CB -0.082 31.616 31.700 -0.002 0.000 0.786 382 E N 0.165 120.374 120.200 0.016 0.000 2.478 382 E HA -0.023 4.320 4.350 -0.013 0.000 0.198 382 E C 1.537 178.081 176.600 -0.094 0.000 1.046 382 E CA 0.933 57.316 56.400 -0.028 0.000 0.870 382 E CB -0.603 29.169 29.700 0.119 0.000 0.818 382 E HN 0.215 nan 8.360 nan 0.000 0.527 383 A N 0.982 123.793 122.820 -0.014 0.000 2.220 383 A HA 0.209 4.521 4.320 -0.013 0.000 0.211 383 A C 1.114 178.676 177.584 -0.037 0.000 1.176 383 A CA -0.322 51.725 52.037 0.017 0.000 0.834 383 A CB 0.162 19.193 19.000 0.051 0.000 0.868 383 A HN 0.142 nan 8.150 nan 0.000 0.488 384 L N 1.807 122.969 121.223 -0.102 0.000 2.410 384 L HA 0.140 4.472 4.340 -0.013 0.000 0.273 384 L C -0.039 176.500 176.870 -0.552 0.000 1.152 384 L CA 0.468 55.187 54.840 -0.202 0.000 0.855 384 L CB 0.373 42.350 42.059 -0.136 0.000 1.129 384 L HN 0.399 nan 8.230 nan 0.000 0.463 385 E N 4.881 124.647 120.200 -0.724 0.000 2.129 385 E HA 0.183 4.526 4.350 -0.013 0.000 0.283 385 E C -0.485 175.477 176.600 -1.063 0.000 1.080 385 E CA -0.183 55.321 56.400 -1.494 0.000 0.867 385 E CB 0.643 29.817 29.700 -0.875 0.000 1.056 385 E HN 0.365 nan 8.360 nan 0.000 0.404 386 R N 3.823 123.611 120.500 -1.185 0.000 2.407 386 R HA 0.208 4.540 4.340 -0.013 0.000 0.298 386 R C -1.206 174.949 176.300 -0.241 0.000 1.166 386 R CA -0.567 55.264 56.100 -0.449 0.000 1.006 386 R CB 0.889 31.056 30.300 -0.222 0.000 1.145 386 R HN 0.422 nan 8.270 nan 0.000 0.538 387 W N 4.637 125.906 121.300 -0.051 0.000 2.322 387 W HA 0.273 4.926 4.660 -0.013 0.000 0.307 387 W C -1.912 174.585 176.519 -0.037 0.000 1.220 387 W CA -2.194 55.173 57.345 0.036 0.000 1.210 387 W CB 0.804 30.256 29.460 -0.012 0.000 1.223 387 W HN 0.261 nan 8.180 nan 0.000 0.511 388 P HA -0.079 nan 4.420 nan 0.000 0.264 388 P C 0.779 178.015 177.300 -0.107 0.000 1.193 388 P CA 0.164 63.253 63.100 -0.019 0.000 0.763 388 P CB 0.822 32.383 31.700 -0.232 0.000 0.810 389 V N 3.396 123.303 119.914 -0.011 0.000 2.332 389 V HA -0.293 3.819 4.120 -0.013 0.000 0.248 389 V C 2.161 178.249 176.094 -0.010 0.000 1.055 389 V CA 2.574 64.878 62.300 0.007 0.000 1.038 389 V CB -1.776 30.113 31.823 0.109 0.000 0.651 389 V HN 0.770 nan 8.190 nan 0.000 0.450 390 H N -0.987 118.133 119.070 0.084 0.000 2.457 390 H HA -0.141 4.407 4.556 -0.013 0.000 0.297 390 H C 2.006 177.373 175.328 0.064 0.000 1.092 390 H CA 1.821 57.913 56.048 0.074 0.000 1.309 390 H CB -0.535 29.273 29.762 0.077 0.000 1.382 390 H HN 0.385 nan 8.280 nan 0.000 0.535 391 L N -0.212 120.823 121.223 -0.312 0.000 2.068 391 L HA -0.031 4.301 4.340 -0.013 0.000 0.204 391 L C 2.365 179.161 176.870 -0.123 0.000 1.076 391 L CA 0.757 55.510 54.840 -0.146 0.000 0.753 391 L CB -0.164 41.796 42.059 -0.166 0.000 0.910 391 L HN 0.321 nan 8.230 nan 0.000 0.439 392 L N -0.491 120.639 121.223 -0.156 0.000 2.093 392 L HA -0.233 4.099 4.340 -0.013 0.000 0.208 392 L C 2.502 179.291 176.870 -0.135 0.000 1.085 392 L CA 1.119 55.844 54.840 -0.191 0.000 0.755 392 L CB -0.360 41.581 42.059 -0.196 0.000 0.904 392 L HN 0.342 nan 8.230 nan 0.000 0.435 393 E N -0.498 119.666 120.200 -0.061 0.000 2.085 393 E HA -0.221 4.121 4.350 -0.013 0.000 0.194 393 E C 1.888 178.509 176.600 0.034 0.000 0.994 393 E CA 1.848 58.247 56.400 -0.001 0.000 0.801 393 E CB 0.152 29.892 29.700 0.067 0.000 0.743 393 E HN 0.391 nan 8.360 nan 0.000 0.453 394 T N 0.605 115.197 114.554 0.063 0.000 2.894 394 T HA -0.054 4.288 4.350 -0.013 0.000 0.258 394 T C 1.662 176.436 174.700 0.123 0.000 1.043 394 T CA 0.620 62.803 62.100 0.138 0.000 1.141 394 T CB -0.056 68.927 68.868 0.190 0.000 0.873 394 T HN 0.064 nan 8.240 nan 0.000 0.449 395 L N 0.102 121.294 121.223 -0.052 0.000 2.127 395 L HA 0.371 4.704 4.340 -0.013 0.000 0.203 395 L C 0.265 177.036 176.870 -0.164 0.000 1.080 395 L CA 1.535 56.215 54.840 -0.268 0.000 0.768 395 L CB 0.091 41.963 42.059 -0.311 0.000 0.924 395 L HN 0.157 nan 8.230 nan 0.000 0.444 396 L N 0.672 121.768 121.223 -0.212 0.000 2.551 396 L HA 0.303 4.635 4.340 -0.013 0.000 0.248 396 L C -1.683 174.995 176.870 -0.320 0.000 1.509 396 L CA -1.030 53.601 54.840 -0.347 0.000 0.842 396 L CB 0.890 42.574 42.059 -0.624 0.000 1.087 396 L HN -0.077 nan 8.230 nan 0.000 0.512 397 P HA -0.224 nan 4.420 nan 0.000 0.216 397 P C 1.503 178.611 177.300 -0.319 0.000 1.153 397 P CA 1.320 64.295 63.100 -0.207 0.000 0.858 397 P CB 0.347 32.000 31.700 -0.078 0.000 0.789 398 R N -0.581 119.554 120.500 -0.608 0.000 2.090 398 R HA -0.135 4.197 4.340 -0.013 0.000 0.228 398 R C 2.338 178.344 176.300 -0.490 0.000 1.110 398 R CA 1.444 57.201 56.100 -0.572 0.000 0.973 398 R CB -1.253 28.554 30.300 -0.822 0.000 0.869 398 R HN 0.210 nan 8.270 nan 0.000 0.440 399 H N -0.201 118.553 119.070 -0.527 0.000 2.387 399 H HA -0.066 4.482 4.556 -0.013 0.000 0.299 399 H C 1.761 176.915 175.328 -0.289 0.000 1.090 399 H CA 1.655 57.479 56.048 -0.374 0.000 1.332 399 H CB -0.044 29.460 29.762 -0.430 0.000 1.386 399 H HN 0.105 nan 8.280 nan 0.000 0.516 400 L N 0.464 121.562 121.223 -0.209 0.000 2.046 400 L HA -0.237 4.096 4.340 -0.013 0.000 0.208 400 L C 1.844 178.529 176.870 -0.307 0.000 1.077 400 L CA 1.636 56.289 54.840 -0.311 0.000 0.747 400 L CB -0.333 41.559 42.059 -0.279 0.000 0.896 400 L HN 0.435 nan 8.230 nan 0.000 0.432 401 Q N -0.367 119.354 119.800 -0.131 0.000 2.124 401 Q HA -0.227 4.105 4.340 -0.013 0.000 0.202 401 Q C 2.174 178.194 176.000 0.034 0.000 0.977 401 Q CA 1.587 57.403 55.803 0.021 0.000 0.850 401 Q CB -0.033 28.718 28.738 0.023 0.000 0.901 401 Q HN 0.558 nan 8.270 nan 0.000 0.429 402 I N 0.202 120.767 120.570 -0.009 0.000 2.315 402 I HA -0.253 3.910 4.170 -0.013 0.000 0.248 402 I C 2.076 178.265 176.117 0.119 0.000 1.117 402 I CA 0.916 62.289 61.300 0.122 0.000 1.404 402 I CB -0.078 37.937 38.000 0.025 0.000 1.071 402 I HN 0.202 nan 8.210 nan 0.000 0.419 403 I N -0.463 120.100 120.570 -0.012 0.000 2.315 403 I HA -0.311 3.851 4.170 -0.013 0.000 0.248 403 I C 2.352 178.489 176.117 0.032 0.000 1.117 403 I CA 1.371 62.655 61.300 -0.026 0.000 1.404 403 I CB -0.330 37.584 38.000 -0.142 0.000 1.071 403 I HN 0.171 nan 8.210 nan 0.000 0.419 404 Y N 0.865 121.167 120.300 0.004 0.000 2.242 404 Y HA -0.253 4.289 4.550 -0.013 0.000 0.291 404 Y C 2.584 178.447 175.900 -0.061 0.000 1.137 404 Y CA 1.519 59.608 58.100 -0.017 0.000 1.181 404 Y CB -0.680 37.762 38.460 -0.029 0.000 0.989 404 Y HN 0.228 nan 8.280 nan 0.000 0.527 405 E N 0.311 120.550 120.200 0.065 0.000 2.107 405 E HA -0.121 4.222 4.350 -0.013 0.000 0.191 405 E C 2.000 178.503 176.600 -0.160 0.000 0.982 405 E CA 1.142 57.439 56.400 -0.172 0.000 0.809 405 E CB -0.540 28.907 29.700 -0.422 0.000 0.756 405 E HN 0.471 nan 8.360 nan 0.000 0.459 406 I N 0.657 121.230 120.570 0.005 0.000 2.179 406 I HA -0.257 3.906 4.170 -0.013 0.000 0.242 406 I C 2.279 178.392 176.117 -0.007 0.000 1.088 406 I CA 1.318 62.578 61.300 -0.067 0.000 1.357 406 I CB -0.373 37.606 38.000 -0.034 0.000 1.051 406 I HN 0.217 nan 8.210 nan 0.000 0.409 407 N N 0.731 119.483 118.700 0.086 0.000 2.069 407 N HA -0.273 4.460 4.740 -0.013 0.000 0.191 407 N C 1.873 177.467 175.510 0.140 0.000 1.031 407 N CA 1.654 54.810 53.050 0.177 0.000 0.852 407 N CB -0.133 38.477 38.487 0.205 0.000 1.018 407 N HN 0.266 nan 8.380 nan 0.000 0.423 408 Q N -0.295 119.530 119.800 0.042 0.000 2.077 408 Q HA -0.125 4.208 4.340 -0.013 0.000 0.206 408 Q C 2.018 177.994 176.000 -0.040 0.000 0.989 408 Q CA 1.583 57.371 55.803 -0.024 0.000 0.853 408 Q CB 0.030 28.709 28.738 -0.097 0.000 0.907 408 Q HN 0.422 nan 8.270 nan 0.000 0.418 409 R N -0.930 119.526 120.500 -0.073 0.000 2.090 409 R HA -0.096 4.236 4.340 -0.013 0.000 0.228 409 R C 2.132 178.453 176.300 0.035 0.000 1.110 409 R CA 1.001 57.056 56.100 -0.076 0.000 0.973 409 R CB -0.333 29.862 30.300 -0.175 0.000 0.869 409 R HN 0.250 nan 8.270 nan 0.000 0.440 410 F N 1.915 121.839 119.950 -0.044 0.000 2.084 410 F HA -0.087 4.432 4.527 -0.013 0.000 0.296 410 F C 1.956 177.785 175.800 0.048 0.000 1.111 410 F CA 1.258 59.284 58.000 0.044 0.000 1.224 410 F CB -0.371 38.688 39.000 0.097 0.000 0.991 410 F HN -0.144 nan 8.300 nan 0.000 0.471 411 L N 0.229 121.428 121.223 -0.041 0.000 2.079 411 L HA -0.291 4.041 4.340 -0.013 0.000 0.210 411 L C 2.065 178.846 176.870 -0.148 0.000 1.081 411 L CA 1.904 56.656 54.840 -0.147 0.000 0.752 411 L CB -0.963 41.093 42.059 -0.006 0.000 0.896 411 L HN 0.285 nan 8.230 nan 0.000 0.433 412 N N -0.461 118.183 118.700 -0.092 0.000 2.223 412 N HA -0.193 4.539 4.740 -0.013 0.000 0.185 412 N C 1.940 177.394 175.510 -0.093 0.000 1.016 412 N CA 0.719 53.722 53.050 -0.079 0.000 0.863 412 N CB -0.003 38.447 38.487 -0.062 0.000 0.983 412 N HN 0.245 nan 8.380 nan 0.000 0.429 413 R N 0.517 120.942 120.500 -0.124 0.000 2.066 413 R HA -0.051 4.281 4.340 -0.013 0.000 0.232 413 R C 2.124 178.330 176.300 -0.157 0.000 1.131 413 R CA 0.866 56.897 56.100 -0.117 0.000 0.955 413 R CB -0.185 30.058 30.300 -0.095 0.000 0.851 413 R HN 0.039 nan 8.270 nan 0.000 0.432 414 V N 0.677 120.443 119.914 -0.247 0.000 2.261 414 V HA -0.256 3.857 4.120 -0.013 0.000 0.246 414 V C 2.371 178.464 176.094 -0.002 0.000 1.047 414 V CA 2.000 64.226 62.300 -0.124 0.000 1.015 414 V CB -0.826 30.846 31.823 -0.250 0.000 0.642 414 V HN 0.469 nan 8.190 nan 0.000 0.446 415 A N 0.144 122.935 122.820 -0.049 0.000 1.917 415 A HA -0.213 4.100 4.320 -0.013 0.000 0.219 415 A C 2.403 179.967 177.584 -0.033 0.000 1.182 415 A CA 2.460 54.485 52.037 -0.020 0.000 0.633 415 A CB -0.879 18.099 19.000 -0.038 0.000 0.819 415 A HN 0.622 nan 8.150 nan 0.000 0.448 416 A N -0.685 122.095 122.820 -0.066 0.000 1.969 416 A HA 0.233 4.546 4.320 -0.013 0.000 0.218 416 A C 2.401 179.901 177.584 -0.139 0.000 1.169 416 A CA 1.941 53.929 52.037 -0.083 0.000 0.635 416 A CB -0.719 18.236 19.000 -0.075 0.000 0.810 416 A HN 1.031 nan 8.150 nan 0.000 0.445 417 A N -1.499 121.195 122.820 -0.211 0.000 1.935 417 A HA 0.370 4.682 4.320 -0.013 0.000 0.214 417 A C 0.497 177.674 177.584 -0.679 0.000 1.178 417 A CA 0.500 52.248 52.037 -0.481 0.000 0.640 417 A CB -0.144 18.471 19.000 -0.641 0.000 0.825 417 A HN 0.422 nan 8.150 nan 0.000 0.447 418 F N 0.311 120.214 119.950 -0.079 0.000 2.531 418 F HA 0.353 4.872 4.527 -0.013 0.000 0.333 418 F C -2.718 173.044 175.800 -0.063 0.000 1.292 418 F CA -2.888 55.070 58.000 -0.070 0.000 1.184 418 F CB 0.700 39.650 39.000 -0.083 0.000 1.426 418 F HN -0.059 nan 8.300 nan 0.000 0.559 419 P HA 0.136 nan 4.420 nan 0.000 0.261 419 P C 1.038 178.358 177.300 0.034 0.000 1.183 419 P CA 1.125 64.239 63.100 0.023 0.000 0.761 419 P CB 0.759 32.454 31.700 -0.008 0.000 0.785 420 G N 2.859 111.671 108.800 0.020 0.000 2.234 420 G HA2 -0.257 3.696 3.960 -0.013 0.000 0.260 420 G HA3 -0.257 3.696 3.960 -0.013 0.000 0.260 420 G C 0.416 175.323 174.900 0.012 0.000 0.987 420 G CA 0.033 45.140 45.100 0.012 0.000 0.625 420 G HN 0.585 nan 8.290 nan 0.000 0.532 421 D N 1.087 121.503 120.400 0.026 0.000 2.545 421 D HA 0.360 4.992 4.640 -0.013 0.000 0.227 421 D C 1.620 177.904 176.300 -0.026 0.000 1.150 421 D CA 0.457 54.455 54.000 -0.004 0.000 1.046 421 D CB 0.503 41.293 40.800 -0.016 0.000 1.098 421 D HN 0.144 nan 8.370 nan 0.000 0.502 422 V N 2.615 122.516 119.914 -0.020 0.000 2.626 422 V HA -0.208 3.904 4.120 -0.013 0.000 0.252 422 V C 1.680 177.757 176.094 -0.028 0.000 1.067 422 V CA 1.839 64.126 62.300 -0.021 0.000 1.081 422 V CB 0.018 31.833 31.823 -0.014 0.000 0.686 422 V HN 0.364 nan 8.190 nan 0.000 0.468 423 D N -0.459 119.919 120.400 -0.037 0.000 2.194 423 D HA -0.160 4.473 4.640 -0.013 0.000 0.204 423 D C 2.318 178.585 176.300 -0.056 0.000 0.964 423 D CA 1.054 55.033 54.000 -0.036 0.000 0.846 423 D CB -0.175 40.604 40.800 -0.035 0.000 0.962 423 D HN 0.394 nan 8.370 nan 0.000 0.490 424 R N -0.314 120.127 120.500 -0.099 0.000 2.096 424 R HA -0.125 4.208 4.340 -0.013 0.000 0.235 424 R C 1.825 178.048 176.300 -0.129 0.000 1.127 424 R CA 0.812 56.815 56.100 -0.163 0.000 0.968 424 R CB -0.255 29.881 30.300 -0.274 0.000 0.861 424 R HN 0.154 nan 8.270 nan 0.000 0.440 425 L N 1.429 122.603 121.223 -0.082 0.000 1.989 425 L HA -0.196 4.136 4.340 -0.013 0.000 0.211 425 L C 2.587 179.456 176.870 -0.001 0.000 1.071 425 L CA 2.223 57.033 54.840 -0.049 0.000 0.749 425 L CB -0.825 41.216 42.059 -0.030 0.000 0.890 425 L HN 0.302 nan 8.230 nan 0.000 0.431 426 R N -1.078 119.429 120.500 0.012 0.000 2.092 426 R HA -0.092 4.240 4.340 -0.013 0.000 0.231 426 R C 2.203 178.554 176.300 0.085 0.000 1.119 426 R CA 1.169 57.299 56.100 0.050 0.000 0.970 426 R CB -0.681 29.642 30.300 0.037 0.000 0.864 426 R HN 0.178 nan 8.270 nan 0.000 0.440 427 R N 0.161 120.692 120.500 0.052 0.000 2.092 427 R HA 0.065 4.397 4.340 -0.013 0.000 0.231 427 R C 2.097 178.491 176.300 0.156 0.000 1.119 427 R CA 1.891 58.045 56.100 0.090 0.000 0.970 427 R CB -0.190 30.117 30.300 0.013 0.000 0.864 427 R HN 0.340 nan 8.270 nan 0.000 0.440 428 M N 0.006 119.625 119.600 0.033 0.000 2.541 428 M HA 0.023 4.496 4.480 -0.013 0.000 0.252 428 M C 0.858 177.352 176.300 0.323 0.000 1.125 428 M CA 0.037 55.324 55.300 -0.021 0.000 1.091 428 M CB 0.396 32.827 32.600 -0.282 0.000 1.420 428 M HN -0.081 nan 8.290 nan 0.000 0.486 429 S N 1.031 116.915 115.700 0.306 0.000 2.558 429 S HA 0.019 4.482 4.470 -0.013 0.000 0.291 429 S C 1.149 176.027 174.600 0.464 0.000 1.306 429 S CA -0.160 58.244 58.200 0.341 0.000 1.056 429 S CB 0.515 63.848 63.200 0.221 0.000 0.836 429 S HN 0.351 nan 8.310 nan 0.000 0.504 430 L N 4.109 125.553 121.223 0.369 0.000 2.313 430 L HA 0.110 4.442 4.340 -0.013 0.000 0.214 430 L C 0.264 177.243 176.870 0.182 0.000 1.119 430 L CA 0.329 55.337 54.840 0.280 0.000 0.809 430 L CB -0.389 41.777 42.059 0.179 0.000 0.933 430 L HN 0.393 nan 8.230 nan 0.000 0.449 431 V N 0.779 120.815 119.914 0.204 0.000 2.370 431 V HA 0.187 4.299 4.120 -0.013 0.000 0.279 431 V C 0.012 176.194 176.094 0.147 0.000 1.029 431 V CA -0.580 61.825 62.300 0.176 0.000 0.870 431 V CB 1.488 33.456 31.823 0.241 0.000 0.984 431 V HN 0.170 nan 8.190 nan 0.000 0.451 432 E N 3.241 123.506 120.200 0.108 0.000 2.134 432 E HA 0.408 4.750 4.350 -0.013 0.000 0.278 432 E C -0.679 175.972 176.600 0.084 0.000 0.959 432 E CA -0.543 55.910 56.400 0.088 0.000 0.783 432 E CB 1.908 31.640 29.700 0.053 0.000 1.095 432 E HN 0.613 nan 8.360 nan 0.000 0.399 433 E N 1.078 121.324 120.200 0.077 0.000 2.314 433 E HA 0.628 4.970 4.350 -0.013 0.000 0.262 433 E C 0.205 176.839 176.600 0.058 0.000 1.093 433 E CA 0.380 56.820 56.400 0.067 0.000 0.908 433 E CB 1.423 31.157 29.700 0.056 0.000 1.091 433 E HN 0.644 nan 8.360 nan 0.000 0.425 434 G N -0.089 108.743 108.800 0.054 0.000 2.291 434 G HA2 0.243 4.195 3.960 -0.013 0.000 0.249 434 G HA3 0.243 4.195 3.960 -0.013 0.000 0.249 434 G C 0.520 175.450 174.900 0.050 0.000 1.340 434 G CA 0.306 45.435 45.100 0.047 0.000 1.017 434 G HN 0.650 nan 8.290 nan 0.000 0.470 435 A N -0.852 121.995 122.820 0.046 0.000 1.879 435 A HA 0.221 4.534 4.320 -0.013 0.000 0.222 435 A C 1.837 179.458 177.584 0.062 0.000 1.368 435 A CA 4.652 56.718 52.037 0.047 0.000 0.707 435 A CB -1.297 17.730 19.000 0.045 0.000 0.846 435 A HN 2.437 nan 8.150 nan 0.000 0.468 436 V N -2.844 117.119 119.914 0.082 0.000 2.680 436 V HA 0.587 4.699 4.120 -0.013 0.000 0.309 436 V C -0.558 175.606 176.094 0.116 0.000 1.052 436 V CA -1.348 61.022 62.300 0.118 0.000 0.908 436 V CB 1.741 33.666 31.823 0.171 0.000 1.001 436 V HN 0.432 nan 8.190 nan 0.000 0.431 437 K N 4.025 124.504 120.400 0.131 0.000 2.295 437 K HA 0.524 4.836 4.320 -0.013 0.000 0.270 437 K C -0.435 176.235 176.600 0.117 0.000 1.011 437 K CA -0.306 56.054 56.287 0.122 0.000 0.953 437 K CB 0.995 33.581 32.500 0.143 0.000 0.956 437 K HN 0.727 nan 8.250 nan 0.000 0.477 438 R N 1.051 121.608 120.500 0.095 0.000 2.836 438 R HA 0.502 4.834 4.340 -0.013 0.000 0.269 438 R C -0.749 175.589 176.300 0.064 0.000 1.010 438 R CA -1.000 55.145 56.100 0.076 0.000 0.930 438 R CB 1.358 31.686 30.300 0.047 0.000 1.218 438 R HN 0.393 nan 8.270 nan 0.000 0.473 439 I N 1.896 122.498 120.570 0.054 0.000 2.389 439 I HA 0.172 4.334 4.170 -0.013 0.000 0.288 439 I C -0.380 175.721 176.117 -0.026 0.000 0.999 439 I CA -0.758 60.560 61.300 0.029 0.000 1.129 439 I CB 1.393 39.407 38.000 0.024 0.000 1.288 439 I HN 0.490 nan 8.210 nan 0.000 0.444 440 N N 7.037 125.690 118.700 -0.078 0.000 2.448 440 N HA 0.069 4.801 4.740 -0.013 0.000 0.250 440 N C 0.959 176.367 175.510 -0.171 0.000 1.136 440 N CA -0.324 52.600 53.050 -0.209 0.000 0.953 440 N CB 0.833 39.053 38.487 -0.445 0.000 1.251 440 N HN 0.379 nan 8.380 nan 0.000 0.502 441 M N 2.219 121.725 119.600 -0.158 0.000 2.202 441 M HA -0.129 4.343 4.480 -0.013 0.000 0.262 441 M C 1.982 178.140 176.300 -0.237 0.000 1.063 441 M CA 0.949 56.167 55.300 -0.135 0.000 1.097 441 M CB -1.614 30.938 32.600 -0.080 0.000 1.382 441 M HN 0.589 nan 8.290 nan 0.000 0.413 442 A N -0.852 121.824 122.820 -0.240 0.000 1.933 442 A HA -0.178 4.134 4.320 -0.013 0.000 0.218 442 A C 2.017 179.392 177.584 -0.348 0.000 1.175 442 A CA 1.533 53.399 52.037 -0.285 0.000 0.628 442 A CB -1.126 17.891 19.000 0.028 0.000 0.814 442 A HN 0.626 nan 8.150 nan 0.000 0.444 443 H N -1.156 117.706 119.070 -0.347 0.000 2.423 443 H HA -0.001 4.547 4.556 -0.013 0.000 0.297 443 H C 2.105 177.202 175.328 -0.385 0.000 1.075 443 H CA 0.850 56.643 56.048 -0.425 0.000 1.342 443 H CB -0.015 29.710 29.762 -0.062 0.000 1.395 443 H HN 0.374 nan 8.280 nan 0.000 0.530 444 L N 0.319 121.453 121.223 -0.147 0.000 2.017 444 L HA -0.225 4.108 4.340 -0.013 0.000 0.208 444 L C 2.286 179.021 176.870 -0.224 0.000 1.073 444 L CA 1.286 56.042 54.840 -0.141 0.000 0.745 444 L CB -0.398 41.603 42.059 -0.097 0.000 0.894 444 L HN 0.442 nan 8.230 nan 0.000 0.432 445 C N 0.101 119.170 119.300 -0.385 0.000 2.413 445 C HA -0.195 4.258 4.460 -0.013 0.000 0.276 445 C C 2.668 177.422 174.990 -0.393 0.000 1.236 445 C CA 0.688 59.407 59.018 -0.499 0.000 1.735 445 C CB -0.802 26.267 27.740 -1.118 0.000 2.031 445 C HN 0.511 nan 8.230 nan 0.000 0.474 446 I N 1.452 121.742 120.570 -0.467 0.000 2.179 446 I HA -0.233 3.929 4.170 -0.013 0.000 0.242 446 I C 2.761 178.717 176.117 -0.269 0.000 1.088 446 I CA 1.757 62.815 61.300 -0.404 0.000 1.357 446 I CB -0.581 37.019 38.000 -0.667 0.000 1.051 446 I HN 0.285 nan 8.210 nan 0.000 0.409 447 A N 0.479 123.114 122.820 -0.309 0.000 1.933 447 A HA -0.108 4.205 4.320 -0.013 0.000 0.218 447 A C 2.207 179.824 177.584 0.055 0.000 1.175 447 A CA 1.905 53.809 52.037 -0.221 0.000 0.628 447 A CB -1.142 17.553 19.000 -0.507 0.000 0.814 447 A HN 0.493 nan 8.150 nan 0.000 0.444 448 G N -1.151 107.627 108.800 -0.036 0.000 3.284 448 G HA2 0.418 4.371 3.960 -0.013 0.000 0.236 448 G HA3 0.418 4.371 3.960 -0.013 0.000 0.236 448 G C 0.080 174.821 174.900 -0.265 0.000 1.158 448 G CA 0.520 45.481 45.100 -0.230 0.000 0.774 448 G HN 0.362 nan 8.290 nan 0.000 0.545 449 S N -0.333 115.265 115.700 -0.170 0.000 2.536 449 S HA 0.333 4.796 4.470 -0.013 0.000 0.298 449 S C 0.594 175.141 174.600 -0.088 0.000 1.083 449 S CA -0.727 57.397 58.200 -0.126 0.000 0.995 449 S CB 1.290 64.419 63.200 -0.119 0.000 1.058 449 S HN 0.493 nan 8.310 nan 0.000 0.488 450 H N -0.329 118.707 119.070 -0.056 0.000 2.539 450 H HA 0.550 5.098 4.556 -0.013 0.000 0.269 450 H C 0.020 175.343 175.328 -0.009 0.000 0.980 450 H CA 0.128 56.171 56.048 -0.009 0.000 1.152 450 H CB 0.134 29.901 29.762 0.008 0.000 1.407 450 H HN 0.542 nan 8.280 nan 0.000 0.564 451 A N 0.910 123.450 122.820 -0.467 0.000 2.517 451 A HA 0.533 4.845 4.320 -0.013 0.000 0.297 451 A C -1.511 175.873 177.584 -0.333 0.000 1.050 451 A CA -0.564 51.247 52.037 -0.377 0.000 0.694 451 A CB 2.026 20.772 19.000 -0.424 0.000 1.277 451 A HN 0.094 nan 8.150 nan 0.000 0.400 452 V N 4.370 124.049 119.914 -0.391 0.000 2.483 452 V HA 0.548 4.660 4.120 -0.013 0.000 0.297 452 V C -0.597 175.304 176.094 -0.322 0.000 1.027 452 V CA -0.733 61.318 62.300 -0.416 0.000 0.855 452 V CB 1.737 33.144 31.823 -0.693 0.000 0.995 452 V HN 1.018 nan 8.190 nan 0.000 0.424 453 N N 3.104 121.634 118.700 -0.283 0.000 2.265 453 N HA 0.640 5.373 4.740 -0.013 0.000 0.300 453 N C -0.299 175.104 175.510 -0.177 0.000 1.148 453 N CA -0.398 52.535 53.050 -0.195 0.000 0.772 453 N CB 2.952 41.319 38.487 -0.200 0.000 1.434 453 N HN 0.627 nan 8.380 nan 0.000 0.481 454 G N -0.906 107.829 108.800 -0.108 0.000 2.511 454 G HA2 0.432 4.385 3.960 -0.013 0.000 0.316 454 G HA3 0.432 4.385 3.960 -0.013 0.000 0.316 454 G C 0.719 175.683 174.900 0.107 0.000 1.210 454 G CA -0.553 44.534 45.100 -0.021 0.000 0.969 454 G HN 0.604 nan 8.290 nan 0.000 0.492 455 V N -3.574 116.528 119.914 0.313 0.000 3.483 455 V HA 0.689 4.801 4.120 -0.013 0.000 0.301 455 V C 0.574 176.751 176.094 0.139 0.000 1.389 455 V CA 0.357 62.747 62.300 0.149 0.000 1.101 455 V CB -0.823 31.039 31.823 0.066 0.000 0.971 455 V HN 1.331 nan 8.190 nan 0.000 0.434 456 A N -0.193 122.722 122.820 0.158 0.000 2.599 456 A HA 0.631 4.944 4.320 -0.013 0.000 0.294 456 A C 0.670 178.306 177.584 0.086 0.000 1.055 456 A CA -0.153 51.953 52.037 0.114 0.000 0.683 456 A CB 1.154 20.210 19.000 0.093 0.000 1.278 456 A HN 0.009 nan 8.150 nan 0.000 0.412 457 R N 0.651 121.181 120.500 0.049 0.000 2.096 457 R HA -0.171 4.161 4.340 -0.013 0.000 0.240 457 R C 1.782 178.080 176.300 -0.004 0.000 1.139 457 R CA 2.327 58.433 56.100 0.010 0.000 0.952 457 R CB -0.239 30.062 30.300 0.002 0.000 0.854 457 R HN 0.838 nan 8.270 nan 0.000 0.436 458 I N 0.058 120.635 120.570 0.012 0.000 2.315 458 I HA -0.269 3.894 4.170 -0.013 0.000 0.248 458 I C 2.330 178.453 176.117 0.010 0.000 1.117 458 I CA 1.866 63.165 61.300 -0.003 0.000 1.404 458 I CB -0.299 37.700 38.000 -0.002 0.000 1.071 458 I HN 0.308 nan 8.210 nan 0.000 0.419 459 H N 0.692 119.735 119.070 -0.046 0.000 2.319 459 H HA -0.146 4.402 4.556 -0.013 0.000 0.299 459 H C 2.233 177.528 175.328 -0.056 0.000 1.092 459 H CA 2.285 58.301 56.048 -0.052 0.000 1.302 459 H CB -0.385 29.353 29.762 -0.041 0.000 1.373 459 H HN 0.306 nan 8.280 nan 0.000 0.497 460 S N 0.201 115.780 115.700 -0.201 0.000 2.368 460 S HA -0.127 4.335 4.470 -0.013 0.000 0.225 460 S C 1.945 176.419 174.600 -0.210 0.000 1.030 460 S CA 1.219 59.275 58.200 -0.240 0.000 0.999 460 S CB -0.089 63.044 63.200 -0.112 0.000 0.844 460 S HN 0.478 nan 8.310 nan 0.000 0.459 461 E N 1.064 121.168 120.200 -0.160 0.000 2.072 461 E HA -0.022 4.320 4.350 -0.013 0.000 0.191 461 E C 2.003 178.488 176.600 -0.192 0.000 0.985 461 E CA 0.653 56.949 56.400 -0.173 0.000 0.801 461 E CB -0.400 29.229 29.700 -0.118 0.000 0.750 461 E HN 0.491 nan 8.360 nan 0.000 0.452 462 I N 0.898 121.369 120.570 -0.165 0.000 2.264 462 I HA -0.279 3.883 4.170 -0.013 0.000 0.248 462 I C 2.335 178.325 176.117 -0.211 0.000 1.111 462 I CA 0.757 61.963 61.300 -0.156 0.000 1.382 462 I CB -0.120 37.818 38.000 -0.103 0.000 1.060 462 I HN 0.068 nan 8.210 nan 0.000 0.418 463 L N 0.063 121.127 121.223 -0.266 0.000 2.046 463 L HA -0.235 4.098 4.340 -0.013 0.000 0.208 463 L C 2.503 179.254 176.870 -0.197 0.000 1.077 463 L CA 1.528 56.221 54.840 -0.245 0.000 0.747 463 L CB -0.585 41.407 42.059 -0.112 0.000 0.896 463 L HN 0.196 nan 8.230 nan 0.000 0.432 464 K N -0.003 120.211 120.400 -0.309 0.000 2.103 464 K HA -0.135 4.177 4.320 -0.013 0.000 0.204 464 K C 2.139 178.538 176.600 -0.335 0.000 1.052 464 K CA 1.086 57.049 56.287 -0.540 0.000 0.945 464 K CB 0.062 32.029 32.500 -0.888 0.000 0.722 464 K HN 0.227 nan 8.250 nan 0.000 0.443 465 K N -0.342 119.915 120.400 -0.238 0.000 2.186 465 K HA -0.001 4.312 4.320 -0.013 0.000 0.202 465 K C 1.433 177.973 176.600 -0.100 0.000 1.052 465 K CA 1.057 57.260 56.287 -0.141 0.000 0.965 465 K CB 0.384 32.812 32.500 -0.120 0.000 0.746 465 K HN 0.081 nan 8.250 nan 0.000 0.457 466 T N 0.454 114.936 114.554 -0.121 0.000 3.066 466 T HA 0.056 4.398 4.350 -0.013 0.000 0.176 466 T C 1.539 176.176 174.700 -0.106 0.000 0.826 466 T CA -0.334 61.706 62.100 -0.101 0.000 1.280 466 T CB -0.450 68.353 68.868 -0.109 0.000 2.214 466 T HN -0.069 nan 8.240 nan 0.000 0.399 467 I N 1.025 121.468 120.570 -0.212 0.000 2.143 467 I HA -0.196 3.966 4.170 -0.013 0.000 0.245 467 I C 0.597 176.601 176.117 -0.189 0.000 1.068 467 I CA 1.878 62.971 61.300 -0.344 0.000 1.326 467 I CB -0.134 37.429 38.000 -0.728 0.000 1.028 467 I HN 0.283 nan 8.210 nan 0.000 0.412 468 F N 0.359 120.382 119.950 0.122 0.000 2.850 468 F HA 0.287 4.806 4.527 -0.013 0.000 0.306 468 F C 1.637 177.522 175.800 0.143 0.000 1.162 468 F CA -0.643 57.513 58.000 0.259 0.000 1.327 468 F CB -0.935 38.240 39.000 0.291 0.000 0.953 468 F HN -0.065 nan 8.300 nan 0.000 0.507 469 K N 0.781 121.284 120.400 0.173 0.000 2.001 469 K HA -0.210 4.102 4.320 -0.013 0.000 0.214 469 K C 1.279 177.922 176.600 0.072 0.000 1.050 469 K CA 2.205 58.536 56.287 0.074 0.000 0.934 469 K CB -0.027 32.483 32.500 0.017 0.000 0.718 469 K HN 0.166 nan 8.250 nan 0.000 0.443 470 D N -0.199 120.201 120.400 0.000 0.000 2.149 470 D HA -0.175 4.458 4.640 -0.013 0.000 0.198 470 D C 1.829 178.021 176.300 -0.180 0.000 0.990 470 D CA 1.234 55.114 54.000 -0.200 0.000 0.839 470 D CB -0.300 40.276 40.800 -0.375 0.000 0.948 470 D HN 0.231 nan 8.370 nan 0.000 0.460 471 F N -0.294 119.733 119.950 0.129 0.000 2.259 471 F HA -0.115 4.404 4.527 -0.013 0.000 0.298 471 F C 2.279 178.217 175.800 0.230 0.000 1.088 471 F CA 0.385 58.541 58.000 0.260 0.000 1.358 471 F CB -0.552 38.678 39.000 0.384 0.000 1.040 471 F HN -0.039 nan 8.300 nan 0.000 0.505 472 Y N 1.284 121.534 120.300 -0.084 0.000 2.200 472 Y HA -0.142 4.400 4.550 -0.013 0.000 0.290 472 Y C 2.109 177.980 175.900 -0.047 0.000 1.137 472 Y CA 1.492 59.357 58.100 -0.392 0.000 1.163 472 Y CB -0.590 37.480 38.460 -0.650 0.000 0.988 472 Y HN 0.112 nan 8.280 nan 0.000 0.518 473 E N -0.002 120.128 120.200 -0.117 0.000 2.110 473 E HA -0.204 4.139 4.350 -0.013 0.000 0.193 473 E C 2.272 178.919 176.600 0.078 0.000 0.988 473 E CA 1.066 57.420 56.400 -0.076 0.000 0.804 473 E CB -0.240 29.481 29.700 0.034 0.000 0.745 473 E HN 0.438 nan 8.360 nan 0.000 0.458 474 L N 0.865 122.189 121.223 0.168 0.000 2.005 474 L HA -0.117 4.215 4.340 -0.013 0.000 0.207 474 L C 0.216 177.164 176.870 0.131 0.000 1.072 474 L CA 1.568 56.540 54.840 0.219 0.000 0.744 474 L CB 0.056 42.265 42.059 0.249 0.000 0.895 474 L HN 0.087 nan 8.230 nan 0.000 0.433 475 E N -0.028 120.245 120.200 0.121 0.000 2.914 475 E HA 0.173 4.516 4.350 -0.013 0.000 0.246 475 E C -1.990 174.539 176.600 -0.119 0.000 1.146 475 E CA -1.456 54.906 56.400 -0.063 0.000 0.803 475 E CB 0.972 30.598 29.700 -0.122 0.000 1.409 475 E HN 0.213 nan 8.360 nan 0.000 0.392 476 P HA -0.246 nan 4.420 nan 0.000 0.219 476 P C 1.155 178.551 177.300 0.159 0.000 1.146 476 P CA 1.354 64.353 63.100 -0.168 0.000 0.808 476 P CB -0.071 31.393 31.700 -0.392 0.000 0.779 477 H N 0.241 119.422 119.070 0.186 0.000 2.457 477 H HA 0.061 4.610 4.556 -0.013 0.000 0.294 477 H C 1.531 176.959 175.328 0.168 0.000 1.064 477 H CA 0.809 56.955 56.048 0.163 0.000 1.330 477 H CB -0.654 29.172 29.762 0.107 0.000 1.395 477 H HN 0.135 nan 8.280 nan 0.000 0.541 478 K N 0.413 120.742 120.400 -0.119 0.000 2.097 478 K HA -0.007 4.305 4.320 -0.013 0.000 0.205 478 K C -0.056 176.419 176.600 -0.208 0.000 1.050 478 K CA 0.477 56.673 56.287 -0.152 0.000 0.938 478 K CB -0.021 32.249 32.500 -0.382 0.000 0.718 478 K HN 0.085 nan 8.250 nan 0.000 0.442 479 F N 1.951 121.940 119.950 0.065 0.000 2.467 479 F HA 0.120 4.640 4.527 -0.013 0.000 0.362 479 F C 0.625 176.433 175.800 0.013 0.000 1.090 479 F CA 0.073 58.106 58.000 0.054 0.000 1.202 479 F CB 0.619 39.696 39.000 0.129 0.000 1.113 479 F HN -0.022 nan 8.300 nan 0.000 0.541 480 Q N 1.723 121.556 119.800 0.054 0.000 2.991 480 Q HA 0.449 4.781 4.340 -0.013 0.000 0.322 480 Q C -1.179 174.783 176.000 -0.063 0.000 0.978 480 Q CA -1.354 54.437 55.803 -0.020 0.000 0.787 480 Q CB 2.907 31.586 28.738 -0.099 0.000 1.492 480 Q HN 0.643 nan 8.270 nan 0.000 0.498 481 N N 0.117 118.754 118.700 -0.105 0.000 2.264 481 N HA 0.260 4.993 4.740 -0.013 0.000 0.288 481 N C -1.724 173.684 175.510 -0.169 0.000 1.094 481 N CA -0.405 52.581 53.050 -0.107 0.000 0.817 481 N CB 1.566 40.014 38.487 -0.064 0.000 1.604 481 N HN 0.320 nan 8.380 nan 0.000 0.473 482 K N 2.597 122.903 120.400 -0.156 0.000 2.764 482 K HA 0.182 4.495 4.320 -0.013 0.000 0.239 482 K C -0.988 175.614 176.600 0.003 0.000 1.048 482 K CA -0.460 55.704 56.287 -0.206 0.000 1.057 482 K CB 1.149 33.297 32.500 -0.586 0.000 1.251 482 K HN 0.574 nan 8.250 nan 0.000 0.524 483 T N 1.976 116.552 114.554 0.036 0.000 2.905 483 T HA 0.016 4.359 4.350 -0.013 0.000 0.299 483 T C 0.844 175.670 174.700 0.210 0.000 1.024 483 T CA 0.486 62.662 62.100 0.127 0.000 1.151 483 T CB 0.269 69.218 68.868 0.135 0.000 0.987 483 T HN 0.351 nan 8.240 nan 0.000 0.535 484 N N 0.556 119.402 118.700 0.244 0.000 2.260 484 N HA 0.421 5.154 4.740 -0.013 0.000 0.230 484 N C 0.524 176.221 175.510 0.312 0.000 1.323 484 N CA -0.172 53.058 53.050 0.300 0.000 0.897 484 N CB 0.373 38.978 38.487 0.197 0.000 1.146 484 N HN 0.775 nan 8.380 nan 0.000 0.460 485 G N -0.802 108.189 108.800 0.318 0.000 2.600 485 G HA2 0.588 4.540 3.960 -0.013 0.000 0.293 485 G HA3 0.588 4.540 3.960 -0.013 0.000 0.293 485 G C -1.526 173.513 174.900 0.232 0.000 1.408 485 G CA -0.748 44.527 45.100 0.291 0.000 0.782 485 G HN 0.597 nan 8.290 nan 0.000 0.482 486 I N -2.619 118.073 120.570 0.204 0.000 2.934 486 I HA 0.773 4.936 4.170 -0.013 0.000 0.306 486 I C -0.223 176.054 176.117 0.266 0.000 1.110 486 I CA -1.027 60.390 61.300 0.194 0.000 1.019 486 I CB 2.398 40.406 38.000 0.014 0.000 1.227 486 I HN 0.488 nan 8.210 nan 0.000 0.434 487 T N 3.685 118.455 114.554 0.360 0.000 2.761 487 T HA 0.369 4.712 4.350 -0.013 0.000 0.296 487 T C -1.405 173.414 174.700 0.198 0.000 0.934 487 T CA -1.701 60.532 62.100 0.221 0.000 1.091 487 T CB 0.763 69.707 68.868 0.126 0.000 0.896 487 T HN 0.607 nan 8.240 nan 0.000 0.515 488 P HA -0.047 nan 4.420 nan 0.000 0.222 488 P C 1.244 178.520 177.300 -0.039 0.000 1.147 488 P CA 0.639 63.777 63.100 0.064 0.000 0.790 488 P CB 0.351 32.064 31.700 0.022 0.000 0.780 489 R N 0.264 120.688 120.500 -0.126 0.000 2.082 489 R HA -0.053 4.280 4.340 -0.013 0.000 0.228 489 R C 2.753 178.936 176.300 -0.194 0.000 1.140 489 R CA 1.753 57.736 56.100 -0.195 0.000 0.920 489 R CB -1.172 29.013 30.300 -0.191 0.000 0.828 489 R HN 0.074 nan 8.270 nan 0.000 0.430 490 R N -0.723 119.603 120.500 -0.291 0.000 2.066 490 R HA -0.113 4.219 4.340 -0.013 0.000 0.232 490 R C 1.302 177.258 176.300 -0.575 0.000 1.131 490 R CA 1.613 57.392 56.100 -0.535 0.000 0.955 490 R CB -0.252 29.540 30.300 -0.847 0.000 0.851 490 R HN 0.309 nan 8.270 nan 0.000 0.432 491 W N 0.196 121.453 121.300 -0.072 0.000 3.377 491 W HA 0.098 4.750 4.660 -0.014 0.000 0.277 491 W C 1.020 177.509 176.519 -0.051 0.000 1.311 491 W CA -0.636 56.666 57.345 -0.072 0.000 1.703 491 W CB 0.316 29.739 29.460 -0.062 0.000 1.095 491 W HN 0.269 nan 8.180 nan 0.000 0.715 492 L N -2.505 118.775 121.223 0.095 0.000 2.884 492 L HA 0.162 4.495 4.340 -0.013 0.000 0.155 492 L C 1.741 178.628 176.870 0.028 0.000 1.296 492 L CA 0.652 55.544 54.840 0.086 0.000 0.946 492 L CB -0.867 41.265 42.059 0.121 0.000 1.862 492 L HN -0.279 nan 8.230 nan 0.000 0.529 493 V N 1.347 121.255 119.914 -0.009 0.000 2.392 493 V HA -0.267 3.845 4.120 -0.013 0.000 0.249 493 V C 2.435 178.501 176.094 -0.046 0.000 1.059 493 V CA 2.502 64.784 62.300 -0.029 0.000 1.051 493 V CB -0.679 31.096 31.823 -0.080 0.000 0.658 493 V HN 0.516 nan 8.190 nan 0.000 0.455 494 L N 0.341 121.509 121.223 -0.093 0.000 2.049 494 L HA -0.141 4.192 4.340 -0.013 0.000 0.203 494 L C 2.534 179.343 176.870 -0.102 0.000 1.074 494 L CA 2.133 56.902 54.840 -0.118 0.000 0.749 494 L CB -0.247 41.690 42.059 -0.204 0.000 0.907 494 L HN 0.617 nan 8.230 nan 0.000 0.439 495 C N -1.517 117.718 119.300 -0.109 0.000 2.514 495 C HA 0.163 4.615 4.460 -0.013 0.000 0.271 495 C C 1.166 176.144 174.990 -0.021 0.000 1.399 495 C CA -0.231 58.745 59.018 -0.070 0.000 1.765 495 C CB -1.114 26.593 27.740 -0.056 0.000 1.893 495 C HN 0.587 nan 8.230 nan 0.000 0.531 496 N N 1.075 119.773 118.700 -0.004 0.000 2.733 496 N HA 0.293 5.025 4.740 -0.013 0.000 0.271 496 N C -1.831 173.693 175.510 0.022 0.000 1.720 496 N CA -1.591 51.468 53.050 0.015 0.000 0.803 496 N CB 0.840 39.344 38.487 0.029 0.000 1.208 496 N HN 0.230 nan 8.380 nan 0.000 0.498 497 P HA -0.021 nan 4.420 nan 0.000 0.218 497 P C 1.370 178.687 177.300 0.028 0.000 1.149 497 P CA 0.830 63.942 63.100 0.020 0.000 0.817 497 P CB 0.288 31.993 31.700 0.009 0.000 0.785 498 G N 0.728 109.540 108.800 0.020 0.000 2.421 498 G HA2 -0.241 3.711 3.960 -0.013 0.000 0.216 498 G HA3 -0.241 3.711 3.960 -0.013 0.000 0.216 498 G C 1.505 176.414 174.900 0.015 0.000 1.171 498 G CA 0.673 45.782 45.100 0.015 0.000 0.775 498 G HN 0.250 nan 8.290 nan 0.000 0.543 499 L N 1.306 122.539 121.223 0.017 0.000 2.056 499 L HA 0.259 4.591 4.340 -0.013 0.000 0.207 499 L C 3.027 179.927 176.870 0.051 0.000 1.078 499 L CA 2.015 56.863 54.840 0.013 0.000 0.749 499 L CB -0.729 41.340 42.059 0.016 0.000 0.901 499 L HN 0.226 nan 8.230 nan 0.000 0.433 500 A N -0.743 122.129 122.820 0.086 0.000 1.933 500 A HA -0.240 4.072 4.320 -0.013 0.000 0.218 500 A C 2.230 179.908 177.584 0.157 0.000 1.175 500 A CA 1.719 53.856 52.037 0.167 0.000 0.628 500 A CB -0.651 18.439 19.000 0.150 0.000 0.814 500 A HN 0.551 nan 8.150 nan 0.000 0.444 501 E N 0.874 121.129 120.200 0.092 0.000 2.028 501 E HA -0.173 4.170 4.350 -0.013 0.000 0.191 501 E C 1.861 178.503 176.600 0.071 0.000 0.988 501 E CA 1.679 58.124 56.400 0.075 0.000 0.799 501 E CB -0.538 29.188 29.700 0.044 0.000 0.755 501 E HN 0.734 nan 8.360 nan 0.000 0.447 502 I N -1.706 118.900 120.570 0.060 0.000 2.361 502 I HA -0.139 4.023 4.170 -0.013 0.000 0.251 502 I C 2.167 178.367 176.117 0.139 0.000 1.133 502 I CA 1.153 62.503 61.300 0.085 0.000 1.413 502 I CB -0.359 37.667 38.000 0.044 0.000 1.073 502 I HN 0.028 nan 8.210 nan 0.000 0.424 503 I N 1.976 122.604 120.570 0.097 0.000 2.252 503 I HA -0.180 3.983 4.170 -0.013 0.000 0.245 503 I C 2.993 179.071 176.117 -0.065 0.000 1.102 503 I CA 1.332 62.625 61.300 -0.012 0.000 1.385 503 I CB -0.384 37.492 38.000 -0.206 0.000 1.064 503 I HN 0.296 nan 8.210 nan 0.000 0.414 504 A N 0.190 123.060 122.820 0.083 0.000 1.969 504 A HA -0.216 4.096 4.320 -0.013 0.000 0.218 504 A C 2.165 179.779 177.584 0.051 0.000 1.169 504 A CA 1.511 53.640 52.037 0.154 0.000 0.635 504 A CB -0.547 18.577 19.000 0.206 0.000 0.810 504 A HN 0.419 nan 8.150 nan 0.000 0.445 505 E N -0.622 119.591 120.200 0.023 0.000 2.160 505 E HA -0.193 4.149 4.350 -0.013 0.000 0.195 505 E C 2.267 178.828 176.600 -0.064 0.000 0.991 505 E CA 1.168 57.565 56.400 -0.004 0.000 0.810 505 E CB -0.015 29.690 29.700 0.008 0.000 0.742 505 E HN 0.522 nan 8.360 nan 0.000 0.466 506 R N 0.031 120.433 120.500 -0.163 0.000 2.074 506 R HA 0.072 4.405 4.340 -0.013 0.000 0.218 506 R C 2.365 178.555 176.300 -0.183 0.000 1.137 506 R CA 0.895 56.804 56.100 -0.319 0.000 0.998 506 R CB -0.371 29.399 30.300 -0.883 0.000 0.895 506 R HN 0.276 nan 8.270 nan 0.000 0.442 507 I N -2.208 118.270 120.570 -0.154 0.000 4.018 507 I HA 0.434 4.596 4.170 -0.013 0.000 0.337 507 I C 0.506 176.655 176.117 0.053 0.000 1.327 507 I CA 0.145 61.419 61.300 -0.043 0.000 1.100 507 I CB 0.808 38.763 38.000 -0.075 0.000 1.025 507 I HN 0.237 nan 8.210 nan 0.000 0.396 508 G N 1.744 110.591 108.800 0.079 0.000 2.610 508 G HA2 -0.197 3.755 3.960 -0.013 0.000 0.304 508 G HA3 -0.197 3.755 3.960 -0.013 0.000 0.304 508 G C -0.066 174.976 174.900 0.237 0.000 1.309 508 G CA 0.106 45.282 45.100 0.126 0.000 0.906 508 G HN 0.388 nan 8.290 nan 0.000 0.521 509 E N -0.528 119.756 120.200 0.140 0.000 2.489 509 E HA 0.095 4.437 4.350 -0.013 0.000 0.204 509 E C 1.737 178.297 176.600 -0.066 0.000 1.006 509 E CA -0.101 56.318 56.400 0.031 0.000 0.936 509 E CB 0.316 30.024 29.700 0.015 0.000 1.002 509 E HN 0.450 nan 8.360 nan 0.000 0.488 510 E N 0.481 120.709 120.200 0.048 0.000 2.401 510 E HA -0.164 4.179 4.350 -0.013 0.000 0.199 510 E C 1.429 178.039 176.600 0.017 0.000 1.023 510 E CA 0.688 57.106 56.400 0.031 0.000 0.859 510 E CB 0.072 29.809 29.700 0.061 0.000 0.780 510 E HN 0.512 nan 8.360 nan 0.000 0.523 511 Y N -1.350 118.954 120.300 0.007 0.000 2.457 511 Y HA -0.012 4.531 4.550 -0.011 0.000 0.292 511 Y C 1.853 177.731 175.900 -0.037 0.000 1.125 511 Y CA 0.268 58.364 58.100 -0.006 0.000 1.254 511 Y CB -0.361 38.099 38.460 -0.000 0.000 1.012 511 Y HN -0.102 nan 8.280 nan 0.000 0.555 512 I N 1.256 121.367 120.570 -0.765 0.000 2.335 512 I HA -0.216 3.947 4.170 -0.013 0.000 0.251 512 I C 1.525 177.403 176.117 -0.397 0.000 1.129 512 I CA 1.807 62.711 61.300 -0.660 0.000 1.402 512 I CB -1.275 36.238 38.000 -0.812 0.000 1.069 512 I HN 0.516 nan 8.210 nan 0.000 0.424 513 S N -1.547 114.020 115.700 -0.221 0.000 2.650 513 S HA 0.202 4.664 4.470 -0.013 0.000 0.240 513 S C 0.231 174.819 174.600 -0.021 0.000 1.007 513 S CA -0.427 57.719 58.200 -0.090 0.000 0.984 513 S CB 0.415 63.632 63.200 0.028 0.000 0.910 513 S HN 0.302 nan 8.310 nan 0.000 0.509 514 D N 0.910 121.305 120.400 -0.009 0.000 2.978 514 D HA 0.226 4.858 4.640 -0.013 0.000 0.268 514 D C 0.613 176.961 176.300 0.081 0.000 1.252 514 D CA -0.341 53.679 54.000 0.034 0.000 0.771 514 D CB -0.052 40.774 40.800 0.042 0.000 1.361 514 D HN 0.104 nan 8.370 nan 0.000 0.558 515 L N 0.520 121.790 121.223 0.078 0.000 2.349 515 L HA -0.115 4.217 4.340 -0.013 0.000 0.220 515 L C 1.067 177.991 176.870 0.089 0.000 1.130 515 L CA 1.151 56.066 54.840 0.126 0.000 0.791 515 L CB 0.080 42.202 42.059 0.104 0.000 0.918 515 L HN 0.311 nan 8.230 nan 0.000 0.444 516 D N -0.284 120.146 120.400 0.049 0.000 2.218 516 D HA -0.208 4.424 4.640 -0.013 0.000 0.204 516 D C 1.937 178.256 176.300 0.033 0.000 0.976 516 D CA 0.896 54.909 54.000 0.021 0.000 0.853 516 D CB 0.017 40.818 40.800 0.002 0.000 0.939 516 D HN 0.484 nan 8.370 nan 0.000 0.481 517 Q N -0.157 119.680 119.800 0.062 0.000 2.561 517 Q HA -0.097 4.236 4.340 -0.013 0.000 0.217 517 Q C 1.617 177.631 176.000 0.024 0.000 0.980 517 Q CA 0.053 55.892 55.803 0.060 0.000 0.927 517 Q CB 0.111 28.914 28.738 0.108 0.000 0.980 517 Q HN 0.171 nan 8.270 nan 0.000 0.525 518 L N 0.370 121.602 121.223 0.014 0.000 2.291 518 L HA -0.112 4.220 4.340 -0.013 0.000 0.214 518 L C 2.005 178.868 176.870 -0.012 0.000 1.120 518 L CA 1.382 56.196 54.840 -0.043 0.000 0.799 518 L CB -0.350 41.700 42.059 -0.015 0.000 0.925 518 L HN 0.112 nan 8.230 nan 0.000 0.446 519 R N -0.417 120.086 120.500 0.006 0.000 2.127 519 R HA -0.169 4.163 4.340 -0.013 0.000 0.238 519 R C 1.868 178.175 176.300 0.011 0.000 1.134 519 R CA 0.982 57.088 56.100 0.010 0.000 0.975 519 R CB -0.179 30.123 30.300 0.003 0.000 0.865 519 R HN 0.394 nan 8.270 nan 0.000 0.447 520 K N 0.553 120.959 120.400 0.011 0.000 2.442 520 K HA -0.078 4.234 4.320 -0.013 0.000 0.198 520 K C 1.766 178.411 176.600 0.076 0.000 1.044 520 K CA 0.638 56.942 56.287 0.028 0.000 0.948 520 K CB 0.004 32.525 32.500 0.036 0.000 0.762 520 K HN 0.242 nan 8.250 nan 0.000 0.472 521 L N 0.517 121.768 121.223 0.047 0.000 2.478 521 L HA -0.098 4.234 4.340 -0.013 0.000 0.223 521 L C 1.795 178.736 176.870 0.118 0.000 1.140 521 L CA 0.012 54.895 54.840 0.071 0.000 0.842 521 L CB -0.129 41.943 42.059 0.021 0.000 0.953 521 L HN 0.140 nan 8.230 nan 0.000 0.452 522 L N 0.140 121.400 121.223 0.061 0.000 2.079 522 L HA -0.199 4.133 4.340 -0.013 0.000 0.210 522 L C 2.722 179.586 176.870 -0.010 0.000 1.081 522 L CA 2.059 56.920 54.840 0.034 0.000 0.752 522 L CB -0.952 41.111 42.059 0.007 0.000 0.896 522 L HN 0.341 nan 8.230 nan 0.000 0.433 523 S N -2.516 113.131 115.700 -0.089 0.000 2.603 523 S HA -0.100 4.363 4.470 -0.013 0.000 0.229 523 S C 1.126 175.460 174.600 -0.443 0.000 0.972 523 S CA 0.340 58.383 58.200 -0.261 0.000 0.935 523 S CB -0.570 62.416 63.200 -0.358 0.000 0.769 523 S HN 0.486 nan 8.310 nan 0.000 0.536 524 Y N -0.645 119.585 120.300 -0.116 0.000 2.612 524 Y HA 0.434 4.981 4.550 -0.004 0.000 0.250 524 Y C 1.782 177.707 175.900 0.041 0.000 1.175 524 Y CA -0.562 57.462 58.100 -0.128 0.000 1.205 524 Y CB 0.301 38.478 38.460 -0.472 0.000 1.201 524 Y HN 0.262 nan 8.280 nan 0.000 0.532 525 V N 0.398 120.396 119.914 0.141 0.000 2.867 525 V HA -0.195 3.917 4.120 -0.013 0.000 0.260 525 V C 0.808 176.968 176.094 0.111 0.000 1.099 525 V CA 2.180 64.566 62.300 0.144 0.000 1.122 525 V CB -0.014 31.856 31.823 0.078 0.000 0.708 525 V HN 0.367 nan 8.190 nan 0.000 0.490 526 D N -1.024 119.424 120.400 0.079 0.000 2.469 526 D HA 0.126 4.759 4.640 -0.013 0.000 0.213 526 D C 0.300 176.646 176.300 0.077 0.000 1.135 526 D CA -0.106 53.930 54.000 0.059 0.000 0.834 526 D CB 0.203 41.014 40.800 0.018 0.000 1.009 526 D HN 0.422 nan 8.370 nan 0.000 0.507 527 D N 1.595 122.073 120.400 0.130 0.000 2.371 527 D HA -0.046 4.587 4.640 -0.013 0.000 0.256 527 D C 1.218 177.620 176.300 0.170 0.000 1.193 527 D CA 0.127 54.226 54.000 0.164 0.000 0.881 527 D CB 1.637 42.607 40.800 0.285 0.000 1.143 527 D HN -0.233 nan 8.370 nan 0.000 0.473 528 E N 3.314 123.584 120.200 0.116 0.000 2.106 528 E HA -0.099 4.243 4.350 -0.013 0.000 0.192 528 E C 1.674 178.333 176.600 0.098 0.000 0.984 528 E CA 1.293 57.746 56.400 0.090 0.000 0.806 528 E CB -0.233 29.502 29.700 0.059 0.000 0.750 528 E HN 0.596 nan 8.360 nan 0.000 0.458 529 A N -0.136 122.756 122.820 0.122 0.000 1.873 529 A HA -0.142 4.171 4.320 -0.013 0.000 0.215 529 A C 2.191 179.865 177.584 0.150 0.000 1.186 529 A CA 1.239 53.345 52.037 0.114 0.000 0.616 529 A CB -0.911 18.157 19.000 0.114 0.000 0.823 529 A HN 0.338 nan 8.150 nan 0.000 0.442 530 F N 0.641 120.610 119.950 0.031 0.000 2.095 530 F HA -0.172 4.349 4.527 -0.010 0.000 0.298 530 F C 2.040 177.850 175.800 0.016 0.000 1.104 530 F CA 1.485 59.490 58.000 0.009 0.000 1.232 530 F CB -0.418 38.601 39.000 0.032 0.000 0.987 530 F HN 0.173 nan 8.300 nan 0.000 0.475 531 I N -0.226 120.394 120.570 0.084 0.000 2.208 531 I HA -0.359 3.804 4.170 -0.013 0.000 0.245 531 I C 2.646 178.724 176.117 -0.066 0.000 1.097 531 I CA 1.743 63.035 61.300 -0.014 0.000 1.363 531 I CB -0.466 37.564 38.000 0.051 0.000 1.051 531 I HN 0.062 nan 8.210 nan 0.000 0.413 532 R N 0.769 121.253 120.500 -0.028 0.000 2.081 532 R HA -0.190 4.142 4.340 -0.013 0.000 0.235 532 R C 1.875 178.132 176.300 -0.072 0.000 1.131 532 R CA 1.866 57.945 56.100 -0.035 0.000 0.960 532 R CB -0.115 30.182 30.300 -0.005 0.000 0.856 532 R HN 0.288 nan 8.270 nan 0.000 0.436 533 D N -0.383 119.954 120.400 -0.106 0.000 2.084 533 D HA -0.119 4.513 4.640 -0.013 0.000 0.196 533 D C 1.957 178.131 176.300 -0.209 0.000 0.985 533 D CA 1.298 55.215 54.000 -0.138 0.000 0.826 533 D CB -0.342 40.380 40.800 -0.130 0.000 0.978 533 D HN 0.045 nan 8.370 nan 0.000 0.456 534 V N 1.518 121.206 119.914 -0.376 0.000 2.282 534 V HA -0.297 3.815 4.120 -0.013 0.000 0.249 534 V C 2.472 178.471 176.094 -0.157 0.000 1.057 534 V CA 2.070 64.163 62.300 -0.344 0.000 1.032 534 V CB -0.797 30.761 31.823 -0.441 0.000 0.645 534 V HN 0.214 nan 8.190 nan 0.000 0.447 535 A N -0.921 121.828 122.820 -0.118 0.000 1.969 535 A HA -0.224 4.088 4.320 -0.013 0.000 0.218 535 A C 2.346 179.896 177.584 -0.056 0.000 1.169 535 A CA 1.955 53.958 52.037 -0.058 0.000 0.635 535 A CB -0.411 18.561 19.000 -0.046 0.000 0.810 535 A HN 0.544 nan 8.150 nan 0.000 0.445 536 K N 0.194 120.555 120.400 -0.065 0.000 2.031 536 K HA -0.101 4.211 4.320 -0.013 0.000 0.205 536 K C 2.008 178.585 176.600 -0.039 0.000 1.049 536 K CA 1.682 57.941 56.287 -0.048 0.000 0.939 536 K CB -0.357 32.117 32.500 -0.043 0.000 0.717 536 K HN 0.407 nan 8.250 nan 0.000 0.438 537 V N 0.053 119.938 119.914 -0.047 0.000 2.343 537 V HA -0.202 3.910 4.120 -0.013 0.000 0.247 537 V C 2.213 178.298 176.094 -0.015 0.000 1.051 537 V CA 2.124 64.407 62.300 -0.029 0.000 1.036 537 V CB -0.721 31.080 31.823 -0.036 0.000 0.654 537 V HN 0.218 nan 8.190 nan 0.000 0.451 538 K N 0.661 121.049 120.400 -0.019 0.000 2.147 538 K HA -0.205 4.107 4.320 -0.013 0.000 0.205 538 K C 2.237 178.824 176.600 -0.021 0.000 1.049 538 K CA 2.105 58.391 56.287 -0.001 0.000 0.936 538 K CB -0.583 31.929 32.500 0.021 0.000 0.722 538 K HN 0.590 nan 8.250 nan 0.000 0.446 539 Q N 0.876 120.656 119.800 -0.034 0.000 2.123 539 Q HA -0.034 4.298 4.340 -0.013 0.000 0.199 539 Q C 1.602 177.590 176.000 -0.021 0.000 0.966 539 Q CA 1.739 57.512 55.803 -0.049 0.000 0.845 539 Q CB -0.003 28.706 28.738 -0.048 0.000 0.907 539 Q HN 0.511 nan 8.270 nan 0.000 0.439 540 E N -0.512 119.686 120.200 -0.003 0.000 2.072 540 E HA -0.139 4.204 4.350 -0.013 0.000 0.191 540 E C 1.649 178.275 176.600 0.045 0.000 0.985 540 E CA 0.927 57.338 56.400 0.018 0.000 0.801 540 E CB 0.026 29.734 29.700 0.014 0.000 0.750 540 E HN 0.377 nan 8.360 nan 0.000 0.452 541 N N 0.917 119.643 118.700 0.042 0.000 2.120 541 N HA -0.142 4.591 4.740 -0.013 0.000 0.188 541 N C 1.467 177.059 175.510 0.137 0.000 1.024 541 N CA 1.088 54.184 53.050 0.076 0.000 0.852 541 N CB -0.095 38.424 38.487 0.052 0.000 1.003 541 N HN 0.105 nan 8.380 nan 0.000 0.424 542 K N 0.441 120.892 120.400 0.085 0.000 2.097 542 K HA 0.000 4.313 4.320 -0.013 0.000 0.206 542 K C 2.035 178.755 176.600 0.200 0.000 1.049 542 K CA 0.649 57.006 56.287 0.115 0.000 0.933 542 K CB -0.134 32.202 32.500 -0.272 0.000 0.717 542 K HN 0.128 nan 8.250 nan 0.000 0.442 543 L N 0.972 122.260 121.223 0.108 0.000 2.056 543 L HA -0.147 4.186 4.340 -0.013 0.000 0.207 543 L C 2.572 179.532 176.870 0.151 0.000 1.078 543 L CA 1.071 55.978 54.840 0.112 0.000 0.749 543 L CB -0.236 41.863 42.059 0.065 0.000 0.901 543 L HN 0.085 nan 8.230 nan 0.000 0.433 544 K N -0.358 120.140 120.400 0.162 0.000 2.057 544 K HA -0.188 4.124 4.320 -0.013 0.000 0.206 544 K C 2.172 178.919 176.600 0.245 0.000 1.050 544 K CA 1.501 57.892 56.287 0.174 0.000 0.935 544 K CB -0.191 32.400 32.500 0.151 0.000 0.715 544 K HN 0.120 nan 8.250 nan 0.000 0.439 545 F N 1.401 121.439 119.950 0.147 0.000 2.163 545 F HA -0.075 4.444 4.527 -0.013 0.000 0.297 545 F C 2.083 178.008 175.800 0.209 0.000 1.094 545 F CA 1.169 59.265 58.000 0.159 0.000 1.290 545 F CB -0.446 38.641 39.000 0.144 0.000 1.017 545 F HN 0.005 nan 8.300 nan 0.000 0.483 546 A N 0.098 123.047 122.820 0.215 0.000 2.024 546 A HA -0.061 4.252 4.320 -0.013 0.000 0.220 546 A C 2.359 179.949 177.584 0.009 0.000 1.164 546 A CA 1.775 53.863 52.037 0.085 0.000 0.643 546 A CB -1.387 17.719 19.000 0.177 0.000 0.806 546 A HN 0.467 nan 8.150 nan 0.000 0.451 547 A N -1.323 121.536 122.820 0.065 0.000 1.855 547 A HA 0.023 4.336 4.320 -0.013 0.000 0.213 547 A C 2.097 179.704 177.584 0.038 0.000 1.195 547 A CA 1.398 53.471 52.037 0.060 0.000 0.610 547 A CB -0.939 18.113 19.000 0.087 0.000 0.837 547 A HN 0.748 nan 8.150 nan 0.000 0.444 548 Y N 0.353 120.603 120.300 -0.083 0.000 2.139 548 Y HA -0.262 4.281 4.550 -0.012 0.000 0.282 548 Y C 1.897 177.716 175.900 -0.135 0.000 1.179 548 Y CA 1.888 59.930 58.100 -0.096 0.000 1.161 548 Y CB -0.465 37.945 38.460 -0.083 0.000 0.970 548 Y HN 0.191 nan 8.280 nan 0.000 0.511 549 L N 0.977 122.160 121.223 -0.066 0.000 1.990 549 L HA -0.258 4.075 4.340 -0.013 0.000 0.213 549 L C 2.420 179.247 176.870 -0.071 0.000 1.072 549 L CA 2.254 57.032 54.840 -0.103 0.000 0.755 549 L CB -1.150 40.768 42.059 -0.235 0.000 0.889 549 L HN 0.382 nan 8.230 nan 0.000 0.432 550 E N -1.655 118.509 120.200 -0.060 0.000 2.152 550 E HA -0.160 4.183 4.350 -0.013 0.000 0.192 550 E C 2.279 178.834 176.600 -0.075 0.000 0.983 550 E CA 0.422 56.809 56.400 -0.022 0.000 0.818 550 E CB 0.081 29.802 29.700 0.036 0.000 0.758 550 E HN 0.362 nan 8.360 nan 0.000 0.467 551 R N 0.698 121.118 120.500 -0.133 0.000 2.109 551 R HA -0.162 4.170 4.340 -0.013 0.000 0.227 551 R C 2.060 178.197 176.300 -0.272 0.000 1.132 551 R CA 1.696 57.691 56.100 -0.176 0.000 0.907 551 R CB -0.075 30.108 30.300 -0.195 0.000 0.825 551 R HN -0.014 nan 8.270 nan 0.000 0.432 552 E N -1.597 118.304 120.200 -0.498 0.000 2.299 552 E HA -0.077 4.265 4.350 -0.013 0.000 0.193 552 E C 0.827 176.993 176.600 -0.724 0.000 0.998 552 E CA 0.890 56.878 56.400 -0.687 0.000 0.851 552 E CB 0.366 29.422 29.700 -1.073 0.000 0.795 552 E HN 0.386 nan 8.360 nan 0.000 0.492 553 Y N -0.274 119.897 120.300 -0.214 0.000 2.452 553 Y HA 0.282 4.824 4.550 -0.013 0.000 0.262 553 Y C -0.346 175.521 175.900 -0.055 0.000 1.089 553 Y CA -0.446 57.595 58.100 -0.098 0.000 1.262 553 Y CB 0.827 39.248 38.460 -0.064 0.000 1.236 553 Y HN -0.344 nan 8.280 nan 0.000 0.512 554 K N 1.042 121.477 120.400 0.057 0.000 6.228 554 K HA -0.074 4.239 4.320 -0.013 0.000 0.581 554 K C -0.666 175.974 176.600 0.066 0.000 1.437 554 K CA 0.938 57.251 56.287 0.044 0.000 1.549 554 K CB -1.586 30.928 32.500 0.024 0.000 1.807 554 K HN 0.447 nan 8.250 nan 0.000 0.358 555 V N -2.542 117.416 119.914 0.074 0.000 5.829 555 V HA 0.013 4.126 4.120 -0.013 0.000 0.697 555 V C -0.148 176.026 176.094 0.133 0.000 1.997 555 V CA -0.076 62.282 62.300 0.096 0.000 3.668 555 V CB -1.056 30.820 31.823 0.089 0.000 0.116 555 V HN 0.979 nan 8.190 nan 0.000 0.567 556 H N 0.907 119.986 119.070 0.014 0.000 2.991 556 H HA -0.091 4.457 4.556 -0.013 0.000 0.255 556 H C -0.284 175.053 175.328 0.015 0.000 0.700 556 H CA 1.879 57.937 56.048 0.017 0.000 0.964 556 H CB 0.090 29.867 29.762 0.025 0.000 1.230 556 H HN 1.323 nan 8.280 nan 0.000 0.450 557 I N 0.189 120.422 120.570 -0.561 0.000 3.102 557 I HA 0.434 4.596 4.170 -0.013 0.000 0.310 557 I C -0.636 175.246 176.117 -0.392 0.000 1.246 557 I CA -1.304 59.814 61.300 -0.303 0.000 0.979 557 I CB 2.221 40.127 38.000 -0.156 0.000 1.267 557 I HN 0.606 nan 8.210 nan 0.000 0.451 558 N N 3.197 121.861 118.700 -0.060 0.000 2.444 558 N HA 0.512 5.244 4.740 -0.013 0.000 0.262 558 N C -2.207 173.384 175.510 0.136 0.000 0.974 558 N CA -2.540 50.529 53.050 0.031 0.000 0.933 558 N CB 1.597 40.128 38.487 0.074 0.000 1.137 558 N HN 0.339 nan 8.380 nan 0.000 0.498 559 P HA 0.049 nan 4.420 nan 0.000 0.234 559 P C -0.054 177.156 177.300 -0.150 0.000 1.167 559 P CA 0.964 64.048 63.100 -0.026 0.000 0.763 559 P CB 0.194 31.898 31.700 0.007 0.000 0.835 560 N N -1.097 117.576 118.700 -0.044 0.000 2.392 560 N HA -0.006 4.727 4.740 -0.013 0.000 0.177 560 N C 0.650 176.153 175.510 -0.012 0.000 1.066 560 N CA -0.058 52.971 53.050 -0.035 0.000 0.895 560 N CB 0.054 38.549 38.487 0.013 0.000 0.988 560 N HN 0.138 nan 8.380 nan 0.000 0.457 561 S N 0.335 116.029 115.700 -0.009 0.000 2.617 561 S HA 0.148 4.610 4.470 -0.013 0.000 0.259 561 S C 0.090 174.604 174.600 -0.144 0.000 1.301 561 S CA -0.789 57.399 58.200 -0.020 0.000 0.984 561 S CB 0.828 64.054 63.200 0.043 0.000 0.954 561 S HN 0.162 nan 8.310 nan 0.000 0.572 562 L N 1.378 122.397 121.223 -0.339 0.000 2.331 562 L HA 0.364 4.696 4.340 -0.013 0.000 0.278 562 L C -1.024 175.802 176.870 -0.073 0.000 1.106 562 L CA -0.655 53.798 54.840 -0.644 0.000 0.824 562 L CB 0.017 41.455 42.059 -1.035 0.000 1.142 562 L HN 0.626 nan 8.230 nan 0.000 0.443 563 F N 3.536 123.340 119.950 -0.242 0.000 2.406 563 F HA 0.173 4.693 4.527 -0.012 0.000 0.358 563 F C 0.385 176.105 175.800 -0.134 0.000 1.161 563 F CA -1.053 56.870 58.000 -0.127 0.000 1.185 563 F CB 0.033 39.005 39.000 -0.046 0.000 1.421 563 F HN 0.400 nan 8.300 nan 0.000 0.576 564 D N 3.664 124.056 120.400 -0.012 0.000 2.411 564 D HA 0.255 4.887 4.640 -0.013 0.000 0.225 564 D C -0.837 175.392 176.300 -0.118 0.000 1.156 564 D CA 0.130 54.076 54.000 -0.090 0.000 0.874 564 D CB 0.954 41.691 40.800 -0.106 0.000 1.034 564 D HN 0.267 nan 8.370 nan 0.000 0.502 565 V N 2.888 122.716 119.914 -0.144 0.000 2.604 565 V HA 0.565 4.678 4.120 -0.013 0.000 0.305 565 V C -1.337 174.610 176.094 -0.244 0.000 1.043 565 V CA -0.711 61.488 62.300 -0.169 0.000 0.888 565 V CB 1.929 33.694 31.823 -0.096 0.000 0.995 565 V HN 0.502 nan 8.190 nan 0.000 0.429 566 Q N 4.501 124.169 119.800 -0.220 0.000 2.347 566 Q HA 0.672 5.005 4.340 -0.013 0.000 0.265 566 Q C -1.538 174.298 176.000 -0.274 0.000 1.024 566 Q CA -0.661 55.003 55.803 -0.232 0.000 0.731 566 Q CB 1.915 30.542 28.738 -0.186 0.000 1.245 566 Q HN 1.186 nan 8.270 nan 0.000 0.472 567 V N 2.259 121.998 119.914 -0.291 0.000 2.443 567 V HA 0.845 4.958 4.120 -0.013 0.000 0.293 567 V C -0.876 174.949 176.094 -0.449 0.000 1.021 567 V CA -0.559 61.369 62.300 -0.620 0.000 0.848 567 V CB 1.222 32.408 31.823 -1.061 0.000 0.998 567 V HN 0.820 nan 8.190 nan 0.000 0.424 568 K N 2.842 123.057 120.400 -0.309 0.000 2.809 568 K HA 0.452 4.765 4.320 -0.013 0.000 0.293 568 K C -1.254 175.376 176.600 0.050 0.000 1.061 568 K CA -1.041 55.247 56.287 0.003 0.000 0.837 568 K CB 1.068 33.548 32.500 -0.033 0.000 1.524 568 K HN 0.471 nan 8.250 nan 0.000 0.370 569 R N 0.713 121.289 120.500 0.127 0.000 2.734 569 R HA 0.207 4.539 4.340 -0.013 0.000 0.266 569 R C 0.400 176.737 176.300 0.063 0.000 1.044 569 R CA -0.367 55.816 56.100 0.137 0.000 1.128 569 R CB -0.135 30.292 30.300 0.212 0.000 1.010 569 R HN 0.474 nan 8.270 nan 0.000 0.461 570 I N 4.086 124.670 120.570 0.022 0.000 2.452 570 I HA 0.108 4.271 4.170 -0.013 0.000 0.287 570 I C 0.773 176.791 176.117 -0.164 0.000 1.079 570 I CA 0.592 61.849 61.300 -0.072 0.000 1.387 570 I CB -0.189 37.758 38.000 -0.088 0.000 1.404 570 I HN 0.281 nan 8.210 nan 0.000 0.522 571 H N 4.241 123.219 119.070 -0.154 0.000 3.016 571 H HA 0.254 4.802 4.556 -0.013 0.000 0.362 571 H C 0.320 175.545 175.328 -0.171 0.000 1.233 571 H CA -0.470 55.530 56.048 -0.079 0.000 1.124 571 H CB 2.186 31.837 29.762 -0.185 0.000 1.850 571 H HN 0.516 nan 8.280 nan 0.000 0.549 572 E N 0.938 121.223 120.200 0.141 0.000 2.152 572 E HA -0.156 4.187 4.350 -0.013 0.000 0.192 572 E C 1.325 177.691 176.600 -0.389 0.000 0.983 572 E CA 0.968 57.377 56.400 0.015 0.000 0.818 572 E CB 0.125 30.027 29.700 0.337 0.000 0.758 572 E HN 0.512 nan 8.360 nan 0.000 0.467 573 Y N 0.528 120.312 120.300 -0.859 0.000 2.457 573 Y HA 0.063 4.605 4.550 -0.013 0.000 0.292 573 Y C 1.524 177.166 175.900 -0.430 0.000 1.125 573 Y CA 0.543 57.968 58.100 -1.126 0.000 1.254 573 Y CB 0.119 37.925 38.460 -1.091 0.000 1.012 573 Y HN -0.223 nan 8.280 nan 0.000 0.555 574 K N 1.050 120.986 120.400 -0.773 0.000 2.366 574 K HA 0.022 4.334 4.320 -0.013 0.000 0.198 574 K C 0.206 176.631 176.600 -0.292 0.000 1.044 574 K CA 0.660 56.597 56.287 -0.583 0.000 0.973 574 K CB -0.145 32.040 32.500 -0.525 0.000 0.767 574 K HN 0.393 nan 8.250 nan 0.000 0.475 575 R N 0.820 121.183 120.500 -0.228 0.000 3.336 575 R HA -0.184 4.149 4.340 -0.013 0.000 0.260 575 R C 0.583 176.806 176.300 -0.127 0.000 1.032 575 R CA 0.186 56.205 56.100 -0.135 0.000 0.693 575 R CB -1.877 28.357 30.300 -0.110 0.000 1.134 575 R HN 0.212 nan 8.270 nan 0.000 0.433 576 Q N 0.144 119.869 119.800 -0.125 0.000 2.291 576 Q HA -0.012 4.321 4.340 -0.013 0.000 0.206 576 Q C 1.822 177.775 176.000 -0.079 0.000 0.976 576 Q CA 1.254 56.995 55.803 -0.103 0.000 0.875 576 Q CB 0.091 28.772 28.738 -0.095 0.000 0.927 576 Q HN 0.596 nan 8.270 nan 0.000 0.450 577 L N -0.631 120.549 121.223 -0.072 0.000 2.083 577 L HA -0.176 4.157 4.340 -0.013 0.000 0.209 577 L C 1.952 178.822 176.870 0.000 0.000 1.083 577 L CA 0.570 55.382 54.840 -0.046 0.000 0.752 577 L CB -0.288 41.755 42.059 -0.027 0.000 0.899 577 L HN 0.315 nan 8.230 nan 0.000 0.433 578 L N -0.089 121.125 121.223 -0.015 0.000 2.093 578 L HA -0.219 4.114 4.340 -0.013 0.000 0.208 578 L C 1.988 178.888 176.870 0.050 0.000 1.085 578 L CA 1.845 56.684 54.840 -0.000 0.000 0.755 578 L CB -0.796 41.164 42.059 -0.166 0.000 0.904 578 L HN 0.281 nan 8.230 nan 0.000 0.435 579 N N -1.884 116.818 118.700 0.002 0.000 2.188 579 N HA -0.214 4.519 4.740 -0.013 0.000 0.184 579 N C 1.929 177.518 175.510 0.131 0.000 1.018 579 N CA 1.348 54.473 53.050 0.126 0.000 0.858 579 N CB -0.099 38.403 38.487 0.024 0.000 0.989 579 N HN 0.474 nan 8.380 nan 0.000 0.426 580 C N 0.536 119.854 119.300 0.031 0.000 2.432 580 C HA -0.045 4.407 4.460 -0.013 0.000 0.277 580 C C 2.573 177.568 174.990 0.007 0.000 1.249 580 C CA 0.329 59.323 59.018 -0.041 0.000 1.725 580 C CB -1.205 26.460 27.740 -0.126 0.000 2.028 580 C HN 0.518 nan 8.230 nan 0.000 0.477 581 L N -0.116 121.169 121.223 0.103 0.000 2.079 581 L HA -0.232 4.100 4.340 -0.013 0.000 0.210 581 L C 2.724 179.756 176.870 0.270 0.000 1.081 581 L CA 1.970 56.924 54.840 0.190 0.000 0.752 581 L CB -1.140 41.108 42.059 0.314 0.000 0.896 581 L HN 0.619 nan 8.230 nan 0.000 0.433 582 H N -0.131 119.056 119.070 0.196 0.000 2.326 582 H HA -0.128 4.420 4.556 -0.013 0.000 0.301 582 H C 2.259 177.587 175.328 0.001 0.000 1.081 582 H CA 1.830 57.912 56.048 0.057 0.000 1.334 582 H CB 0.306 30.044 29.762 -0.040 0.000 1.385 582 H HN 0.089 nan 8.280 nan 0.000 0.504 583 V N 1.516 121.351 119.914 -0.133 0.000 2.332 583 V HA -0.271 3.842 4.120 -0.013 0.000 0.248 583 V C 2.830 178.857 176.094 -0.111 0.000 1.055 583 V CA 1.874 64.057 62.300 -0.194 0.000 1.038 583 V CB -0.505 31.255 31.823 -0.105 0.000 0.651 583 V HN 0.389 nan 8.190 nan 0.000 0.450 584 I N -0.433 120.112 120.570 -0.042 0.000 2.315 584 I HA -0.216 3.946 4.170 -0.013 0.000 0.248 584 I C 2.499 178.686 176.117 0.116 0.000 1.117 584 I CA 1.649 62.999 61.300 0.083 0.000 1.404 584 I CB -0.549 37.484 38.000 0.055 0.000 1.071 584 I HN 0.323 nan 8.210 nan 0.000 0.419 585 T N 1.157 115.728 114.554 0.029 0.000 2.652 585 T HA -0.169 4.174 4.350 -0.013 0.000 0.267 585 T C 1.871 176.531 174.700 -0.066 0.000 1.039 585 T CA 1.247 63.353 62.100 0.010 0.000 1.153 585 T CB -0.268 68.621 68.868 0.035 0.000 0.863 585 T HN 0.068 nan 8.240 nan 0.000 0.428 586 L N 0.228 121.338 121.223 -0.188 0.000 2.013 586 L HA -0.084 4.248 4.340 -0.013 0.000 0.212 586 L C 2.127 178.961 176.870 -0.059 0.000 1.073 586 L CA 1.656 56.384 54.840 -0.187 0.000 0.753 586 L CB -1.205 40.677 42.059 -0.295 0.000 0.890 586 L HN 0.335 nan 8.230 nan 0.000 0.432 587 Y N 0.659 120.897 120.300 -0.103 0.000 2.097 587 Y HA -0.308 4.235 4.550 -0.013 0.000 0.282 587 Y C 2.500 178.379 175.900 -0.034 0.000 1.152 587 Y CA 2.040 60.119 58.100 -0.035 0.000 1.136 587 Y CB -0.406 38.084 38.460 0.049 0.000 0.975 587 Y HN 0.299 nan 8.280 nan 0.000 0.498 588 N N 0.320 118.982 118.700 -0.064 0.000 2.166 588 N HA -0.149 4.583 4.740 -0.013 0.000 0.186 588 N C 1.898 177.297 175.510 -0.184 0.000 1.019 588 N CA 1.569 54.515 53.050 -0.174 0.000 0.856 588 N CB -0.358 38.092 38.487 -0.062 0.000 0.993 588 N HN 0.452 nan 8.380 nan 0.000 0.426 589 R N 0.269 120.688 120.500 -0.135 0.000 2.092 589 R HA 0.093 4.426 4.340 -0.013 0.000 0.231 589 R C 2.197 178.410 176.300 -0.145 0.000 1.119 589 R CA 0.703 56.730 56.100 -0.122 0.000 0.970 589 R CB -0.231 30.009 30.300 -0.101 0.000 0.864 589 R HN 0.229 nan 8.270 nan 0.000 0.440 590 I N 0.980 121.444 120.570 -0.177 0.000 2.252 590 I HA -0.252 3.911 4.170 -0.013 0.000 0.245 590 I C 1.949 177.945 176.117 -0.201 0.000 1.102 590 I CA 1.182 62.377 61.300 -0.174 0.000 1.385 590 I CB -0.084 37.815 38.000 -0.168 0.000 1.064 590 I HN 0.011 nan 8.210 nan 0.000 0.414 591 K N 0.659 120.875 120.400 -0.307 0.000 2.365 591 K HA -0.159 4.153 4.320 -0.013 0.000 0.199 591 K C 1.942 178.436 176.600 -0.175 0.000 1.045 591 K CA 0.835 56.953 56.287 -0.282 0.000 0.962 591 K CB -0.135 32.109 32.500 -0.425 0.000 0.759 591 K HN 0.152 nan 8.250 nan 0.000 0.469 592 K N 1.855 122.162 120.400 -0.155 0.000 2.067 592 K HA -0.040 4.273 4.320 -0.013 0.000 0.203 592 K C 0.137 176.688 176.600 -0.082 0.000 1.048 592 K CA 1.136 57.358 56.287 -0.109 0.000 0.954 592 K CB 0.413 32.852 32.500 -0.101 0.000 0.737 592 K HN 0.043 nan 8.250 nan 0.000 0.444 593 E N 0.860 121.012 120.200 -0.081 0.000 3.037 593 E HA 0.184 4.527 4.350 -0.013 0.000 0.220 593 E C -2.337 174.229 176.600 -0.057 0.000 1.142 593 E CA -1.766 54.600 56.400 -0.057 0.000 0.888 593 E CB 1.507 31.181 29.700 -0.045 0.000 1.329 593 E HN 0.082 nan 8.360 nan 0.000 0.409 594 P HA -0.185 nan 4.420 nan 0.000 0.216 594 P C 0.352 177.637 177.300 -0.025 0.000 1.153 594 P CA 1.340 64.410 63.100 -0.050 0.000 0.858 594 P CB 0.130 31.805 31.700 -0.042 0.000 0.789 595 N N -1.052 117.641 118.700 -0.011 0.000 2.362 595 N HA 0.011 4.743 4.740 -0.013 0.000 0.211 595 N C 0.446 175.973 175.510 0.029 0.000 1.170 595 N CA 0.047 53.104 53.050 0.011 0.000 0.828 595 N CB -0.089 38.404 38.487 0.009 0.000 1.034 595 N HN 0.083 nan 8.380 nan 0.000 0.475 596 K N 1.083 121.495 120.400 0.020 0.000 2.159 596 K HA 0.166 4.479 4.320 -0.013 0.000 0.266 596 K C -1.020 175.622 176.600 0.071 0.000 0.975 596 K CA -0.632 55.681 56.287 0.044 0.000 0.865 596 K CB 0.734 33.240 32.500 0.009 0.000 1.087 596 K HN -0.055 nan 8.250 nan 0.000 0.446 597 F N 4.709 124.647 119.950 -0.021 0.000 2.443 597 F HA 0.243 4.762 4.527 -0.013 0.000 0.353 597 F C -0.470 175.316 175.800 -0.022 0.000 1.101 597 F CA -0.060 57.928 58.000 -0.019 0.000 1.226 597 F CB 0.681 39.673 39.000 -0.014 0.000 1.140 597 F HN 0.201 nan 8.300 nan 0.000 0.557 598 V N 3.876 123.175 119.914 -1.024 0.000 2.925 598 V HA 0.530 4.643 4.120 -0.013 0.000 0.311 598 V C -0.798 174.637 176.094 -1.098 0.000 1.104 598 V CA -1.259 60.581 62.300 -0.767 0.000 0.954 598 V CB 0.971 32.564 31.823 -0.384 0.000 1.022 598 V HN 0.575 nan 8.190 nan 0.000 0.427 599 V N 4.298 123.857 119.914 -0.590 0.000 2.485 599 V HA 0.209 4.321 4.120 -0.013 0.000 0.287 599 V C -1.812 174.111 176.094 -0.285 0.000 1.022 599 V CA -0.507 61.593 62.300 -0.334 0.000 1.067 599 V CB 0.448 32.204 31.823 -0.112 0.000 0.967 599 V HN 0.903 nan 8.190 nan 0.000 0.479 600 P HA 0.372 nan 4.420 nan 0.000 0.269 600 P C -0.466 176.744 177.300 -0.151 0.000 1.209 600 P CA -0.137 62.876 63.100 -0.144 0.000 0.776 600 P CB 0.572 32.238 31.700 -0.057 0.000 0.876 601 R N 0.451 120.881 120.500 -0.118 0.000 2.698 601 R HA 0.605 4.938 4.340 -0.013 0.000 0.275 601 R C -0.981 175.289 176.300 -0.050 0.000 1.001 601 R CA -0.608 55.425 56.100 -0.111 0.000 0.896 601 R CB 1.997 32.212 30.300 -0.141 0.000 1.218 601 R HN 0.276 nan 8.270 nan 0.000 0.462 602 T N 1.839 116.386 114.554 -0.011 0.000 2.833 602 T HA 0.245 4.587 4.350 -0.013 0.000 0.297 602 T C -0.946 173.688 174.700 -0.110 0.000 1.015 602 T CA -0.575 61.491 62.100 -0.057 0.000 0.963 602 T CB 1.201 70.018 68.868 -0.085 0.000 0.955 602 T HN 0.344 nan 8.240 nan 0.000 0.449 603 V N 4.973 124.819 119.914 -0.112 0.000 2.370 603 V HA 0.699 4.812 4.120 -0.013 0.000 0.279 603 V C -0.573 175.439 176.094 -0.137 0.000 1.029 603 V CA -0.702 61.530 62.300 -0.114 0.000 0.870 603 V CB 0.773 32.548 31.823 -0.080 0.000 0.984 603 V HN 0.874 nan 8.190 nan 0.000 0.451 604 M N 7.523 127.023 119.600 -0.167 0.000 2.167 604 M HA 0.590 5.063 4.480 -0.013 0.000 0.333 604 M C -0.910 175.267 176.300 -0.205 0.000 1.030 604 M CA -0.192 54.997 55.300 -0.185 0.000 0.963 604 M CB 1.871 34.347 32.600 -0.206 0.000 1.589 604 M HN 0.526 nan 8.290 nan 0.000 0.431 605 I N 2.363 122.801 120.570 -0.220 0.000 2.389 605 I HA 0.720 4.883 4.170 -0.013 0.000 0.288 605 I C 0.176 175.971 176.117 -0.536 0.000 0.999 605 I CA -0.550 60.597 61.300 -0.256 0.000 1.129 605 I CB 1.951 39.895 38.000 -0.095 0.000 1.288 605 I HN 0.789 nan 8.210 nan 0.000 0.444 606 G N 3.318 111.766 108.800 -0.587 0.000 2.612 606 G HA2 0.852 4.804 3.960 -0.013 0.000 0.298 606 G HA3 0.852 4.804 3.960 -0.013 0.000 0.298 606 G C -0.906 173.690 174.900 -0.507 0.000 1.336 606 G CA -0.866 43.752 45.100 -0.804 0.000 0.953 606 G HN 0.923 nan 8.290 nan 0.000 0.482 607 G N -0.322 108.323 108.800 -0.258 0.000 2.340 607 G HA2 0.454 4.406 3.960 -0.013 0.000 0.300 607 G HA3 0.454 4.406 3.960 -0.013 0.000 0.300 607 G C -1.630 173.394 174.900 0.207 0.000 1.488 607 G CA -0.976 44.152 45.100 0.047 0.000 0.878 607 G HN 0.601 nan 8.290 nan 0.000 0.618 608 K N -0.242 120.278 120.400 0.201 0.000 2.164 608 K HA 0.759 5.071 4.320 -0.013 0.000 0.258 608 K C 0.014 176.743 176.600 0.216 0.000 0.951 608 K CA -0.402 56.022 56.287 0.229 0.000 0.844 608 K CB 2.135 34.682 32.500 0.078 0.000 1.099 608 K HN 0.850 nan 8.250 nan 0.000 0.435 609 A N 1.754 124.735 122.820 0.270 0.000 2.305 609 A HA 0.656 4.968 4.320 -0.013 0.000 0.322 609 A C -0.423 177.325 177.584 0.272 0.000 1.187 609 A CA -0.679 51.452 52.037 0.156 0.000 0.825 609 A CB 0.990 20.011 19.000 0.035 0.000 1.164 609 A HN 0.793 nan 8.150 nan 0.000 0.498 610 A N 3.949 126.904 122.820 0.226 0.000 2.540 610 A HA 0.455 4.767 4.320 -0.013 0.000 0.239 610 A C -1.320 176.335 177.584 0.117 0.000 1.061 610 A CA -0.734 51.440 52.037 0.229 0.000 0.758 610 A CB -0.356 18.740 19.000 0.159 0.000 0.991 610 A HN 0.613 nan 8.150 nan 0.000 0.502 611 P HA -0.169 nan 4.420 nan 0.000 0.217 611 P C 1.401 178.688 177.300 -0.023 0.000 1.151 611 P CA 2.103 65.139 63.100 -0.105 0.000 0.849 611 P CB 0.168 31.755 31.700 -0.187 0.000 0.787 612 G N -3.212 105.595 108.800 0.011 0.000 3.042 612 G HA2 -0.131 3.822 3.960 -0.013 0.000 0.212 612 G HA3 -0.131 3.822 3.960 -0.013 0.000 0.212 612 G C -0.060 174.874 174.900 0.057 0.000 1.166 612 G CA -0.039 45.071 45.100 0.017 0.000 0.767 612 G HN 0.177 nan 8.290 nan 0.000 0.546 613 Y N 2.383 122.620 120.300 -0.104 0.000 2.594 613 Y HA 0.174 4.717 4.550 -0.013 0.000 0.344 613 Y C 1.507 177.391 175.900 -0.026 0.000 1.185 613 Y CA -1.762 56.263 58.100 -0.125 0.000 1.565 613 Y CB -0.710 37.637 38.460 -0.188 0.000 1.415 613 Y HN 0.369 nan 8.280 nan 0.000 0.488 614 H N 3.614 122.805 119.070 0.202 0.000 2.319 614 H HA -0.216 4.332 4.556 -0.013 0.000 0.299 614 H C 1.713 177.073 175.328 0.053 0.000 1.092 614 H CA 2.227 58.335 56.048 0.099 0.000 1.302 614 H CB 0.393 30.207 29.762 0.085 0.000 1.373 614 H HN 0.606 nan 8.280 nan 0.000 0.497 615 M N 1.209 120.774 119.600 -0.059 0.000 2.065 615 M HA -0.121 4.352 4.480 -0.013 0.000 0.259 615 M C 2.685 178.736 176.300 -0.415 0.000 1.069 615 M CA 2.022 57.198 55.300 -0.206 0.000 1.110 615 M CB -1.111 31.511 32.600 0.036 0.000 1.328 615 M HN 0.360 nan 8.290 nan 0.000 0.405 616 A N -0.402 121.910 122.820 -0.846 0.000 1.917 616 A HA -0.254 4.059 4.320 -0.013 0.000 0.219 616 A C 2.206 179.578 177.584 -0.353 0.000 1.182 616 A CA 2.238 53.809 52.037 -0.776 0.000 0.633 616 A CB -0.784 17.503 19.000 -1.187 0.000 0.819 616 A HN 0.635 nan 8.150 nan 0.000 0.448 617 K N -1.445 118.810 120.400 -0.242 0.000 2.217 617 K HA 0.027 4.339 4.320 -0.013 0.000 0.202 617 K C 1.845 178.418 176.600 -0.045 0.000 1.051 617 K CA 0.938 57.180 56.287 -0.076 0.000 0.952 617 K CB -0.147 32.370 32.500 0.028 0.000 0.736 617 K HN 0.341 nan 8.250 nan 0.000 0.453 618 M N 0.531 120.050 119.600 -0.135 0.000 2.200 618 M HA -0.035 4.437 4.480 -0.013 0.000 0.265 618 M C 2.048 178.302 176.300 -0.078 0.000 1.066 618 M CA 1.336 56.596 55.300 -0.067 0.000 1.127 618 M CB -0.473 32.038 32.600 -0.148 0.000 1.379 618 M HN 0.107 nan 8.290 nan 0.000 0.420 619 I N -0.328 120.153 120.570 -0.149 0.000 2.315 619 I HA -0.293 3.869 4.170 -0.013 0.000 0.248 619 I C 2.242 178.238 176.117 -0.201 0.000 1.117 619 I CA 1.024 62.225 61.300 -0.165 0.000 1.404 619 I CB -0.271 37.625 38.000 -0.172 0.000 1.071 619 I HN 0.165 nan 8.210 nan 0.000 0.419 620 I N 0.689 121.122 120.570 -0.229 0.000 2.286 620 I HA -0.286 3.876 4.170 -0.013 0.000 0.248 620 I C 2.536 178.368 176.117 -0.474 0.000 1.115 620 I CA 1.154 62.223 61.300 -0.384 0.000 1.392 620 I CB -0.205 37.558 38.000 -0.396 0.000 1.065 620 I HN 0.152 nan 8.210 nan 0.000 0.418 621 K N 1.421 121.572 120.400 -0.416 0.000 2.103 621 K HA -0.109 4.204 4.320 -0.013 0.000 0.204 621 K C 1.991 178.437 176.600 -0.257 0.000 1.052 621 K CA 1.321 57.278 56.287 -0.550 0.000 0.945 621 K CB -0.424 31.480 32.500 -0.994 0.000 0.722 621 K HN 0.219 nan 8.250 nan 0.000 0.443 622 L N 0.442 121.552 121.223 -0.189 0.000 2.017 622 L HA -0.144 4.188 4.340 -0.013 0.000 0.208 622 L C 2.143 178.779 176.870 -0.389 0.000 1.073 622 L CA 1.665 56.235 54.840 -0.449 0.000 0.745 622 L CB -0.311 41.407 42.059 -0.569 0.000 0.894 622 L HN 0.249 nan 8.230 nan 0.000 0.432 623 I N -0.030 120.360 120.570 -0.300 0.000 2.163 623 I HA -0.356 3.807 4.170 -0.013 0.000 0.243 623 I C 2.624 178.624 176.117 -0.195 0.000 1.085 623 I CA 2.032 63.203 61.300 -0.214 0.000 1.347 623 I CB -0.707 37.243 38.000 -0.082 0.000 1.044 623 I HN 0.440 nan 8.210 nan 0.000 0.408 624 T N -0.826 113.580 114.554 -0.246 0.000 2.867 624 T HA -0.056 4.286 4.350 -0.013 0.000 0.268 624 T C 1.947 176.566 174.700 -0.136 0.000 1.057 624 T CA 0.931 62.918 62.100 -0.188 0.000 1.136 624 T CB -0.399 68.311 68.868 -0.262 0.000 0.874 624 T HN 0.355 nan 8.240 nan 0.000 0.466 625 A N 1.425 124.158 122.820 -0.145 0.000 1.930 625 A HA 0.169 4.482 4.320 -0.013 0.000 0.217 625 A C 2.344 179.909 177.584 -0.031 0.000 1.175 625 A CA 1.208 53.221 52.037 -0.040 0.000 0.627 625 A CB -0.764 18.283 19.000 0.079 0.000 0.815 625 A HN 0.582 nan 8.150 nan 0.000 0.443 626 I N -0.296 120.152 120.570 -0.203 0.000 2.252 626 I HA -0.168 3.995 4.170 -0.013 0.000 0.245 626 I C 2.664 178.715 176.117 -0.110 0.000 1.102 626 I CA 1.092 62.253 61.300 -0.230 0.000 1.385 626 I CB -0.474 37.282 38.000 -0.407 0.000 1.064 626 I HN 0.381 nan 8.210 nan 0.000 0.414 627 G N 0.244 108.976 108.800 -0.113 0.000 2.422 627 G HA2 -0.236 3.716 3.960 -0.013 0.000 0.218 627 G HA3 -0.236 3.716 3.960 -0.013 0.000 0.218 627 G C 1.275 176.120 174.900 -0.091 0.000 1.146 627 G CA 0.820 45.858 45.100 -0.103 0.000 0.769 627 G HN 0.268 nan 8.290 nan 0.000 0.547 628 D N 0.192 120.584 120.400 -0.013 0.000 2.123 628 D HA -0.094 4.539 4.640 -0.013 0.000 0.196 628 D C 2.755 179.125 176.300 0.117 0.000 0.992 628 D CA 0.810 54.871 54.000 0.103 0.000 0.833 628 D CB -0.349 40.497 40.800 0.077 0.000 0.954 628 D HN 0.219 nan 8.370 nan 0.000 0.455 629 V N 0.487 120.404 119.914 0.005 0.000 2.255 629 V HA -0.174 3.939 4.120 -0.013 0.000 0.243 629 V C 2.683 178.704 176.094 -0.122 0.000 1.038 629 V CA 0.951 63.202 62.300 -0.083 0.000 1.008 629 V CB -0.487 31.222 31.823 -0.190 0.000 0.645 629 V HN 0.025 nan 8.190 nan 0.000 0.449 630 V N 0.916 120.694 119.914 -0.228 0.000 2.332 630 V HA -0.255 3.858 4.120 -0.013 0.000 0.248 630 V C 2.148 178.178 176.094 -0.107 0.000 1.055 630 V CA 2.213 64.385 62.300 -0.214 0.000 1.038 630 V CB -0.934 30.765 31.823 -0.208 0.000 0.651 630 V HN 0.573 nan 8.190 nan 0.000 0.450 631 N N -0.553 118.008 118.700 -0.232 0.000 2.550 631 N HA -0.076 4.656 4.740 -0.013 0.000 0.186 631 N C 1.106 176.315 175.510 -0.501 0.000 1.110 631 N CA 0.864 53.689 53.050 -0.375 0.000 0.912 631 N CB -0.278 37.904 38.487 -0.509 0.000 0.968 631 N HN 0.710 nan 8.380 nan 0.000 0.448 632 H N -1.700 117.381 119.070 0.018 0.000 2.662 632 H HA 0.218 4.767 4.556 -0.012 0.000 0.268 632 H C -0.645 174.708 175.328 0.042 0.000 1.152 632 H CA -0.489 55.572 56.048 0.022 0.000 1.072 632 H CB 0.697 30.460 29.762 0.002 0.000 1.660 632 H HN -0.044 nan 8.280 nan 0.000 0.584 633 D N 1.629 122.107 120.400 0.131 0.000 2.347 633 D HA 0.066 4.699 4.640 -0.013 0.000 0.235 633 D C -1.652 174.715 176.300 0.112 0.000 1.149 633 D CA -2.147 51.947 54.000 0.157 0.000 0.850 633 D CB 1.791 42.760 40.800 0.281 0.000 1.061 633 D HN 0.106 nan 8.370 nan 0.000 0.487 634 P HA -0.122 nan 4.420 nan 0.000 0.216 634 P C 1.601 178.929 177.300 0.047 0.000 1.150 634 P CA 0.381 63.518 63.100 0.062 0.000 0.837 634 P CB 0.448 32.178 31.700 0.051 0.000 0.786 635 V N -0.543 119.398 119.914 0.043 0.000 2.490 635 V HA -0.167 3.945 4.120 -0.013 0.000 0.250 635 V C 2.435 178.537 176.094 0.013 0.000 1.061 635 V CA 1.501 63.811 62.300 0.017 0.000 1.064 635 V CB -0.967 30.853 31.823 -0.005 0.000 0.670 635 V HN -0.018 nan 8.190 nan 0.000 0.461 636 V N -0.269 119.669 119.914 0.040 0.000 2.453 636 V HA 0.097 4.210 4.120 -0.013 0.000 0.247 636 V C 1.798 177.908 176.094 0.027 0.000 1.048 636 V CA 1.443 63.767 62.300 0.040 0.000 1.049 636 V CB -1.152 30.739 31.823 0.113 0.000 0.672 636 V HN 0.733 nan 8.190 nan 0.000 0.457 637 G N 1.519 110.342 108.800 0.038 0.000 2.574 637 G HA2 -0.414 3.539 3.960 -0.013 0.000 0.286 637 G HA3 -0.414 3.539 3.960 -0.013 0.000 0.286 637 G C 0.288 175.208 174.900 0.034 0.000 1.212 637 G CA 0.644 45.765 45.100 0.035 0.000 0.979 637 G HN 0.730 nan 8.290 nan 0.000 0.557 638 D N -0.154 120.267 120.400 0.035 0.000 2.368 638 D HA 0.318 4.950 4.640 -0.013 0.000 0.218 638 D C 1.890 178.198 176.300 0.013 0.000 1.112 638 D CA 0.257 54.280 54.000 0.039 0.000 0.834 638 D CB 0.124 40.963 40.800 0.065 0.000 0.953 638 D HN 0.571 nan 8.370 nan 0.000 0.505 639 R N -0.600 119.895 120.500 -0.008 0.000 2.193 639 R HA 0.251 4.583 4.340 -0.013 0.000 0.213 639 R C -0.168 176.097 176.300 -0.058 0.000 1.055 639 R CA 0.374 56.442 56.100 -0.052 0.000 0.995 639 R CB 0.134 30.383 30.300 -0.085 0.000 0.893 639 R HN 0.173 nan 8.270 nan 0.000 0.459 640 L N 0.705 121.911 121.223 -0.028 0.000 2.516 640 L HA 0.382 4.714 4.340 -0.013 0.000 0.267 640 L C -1.599 175.254 176.870 -0.028 0.000 0.957 640 L CA -0.525 54.296 54.840 -0.031 0.000 0.860 640 L CB 1.690 43.742 42.059 -0.011 0.000 1.265 640 L HN -0.129 nan 8.230 nan 0.000 0.403 641 R N 4.198 124.669 120.500 -0.048 0.000 2.561 641 R HA 0.722 5.054 4.340 -0.013 0.000 0.297 641 R C -1.485 174.765 176.300 -0.083 0.000 0.969 641 R CA -0.816 55.245 56.100 -0.066 0.000 0.879 641 R CB 2.312 32.576 30.300 -0.060 0.000 1.178 641 R HN 0.385 nan 8.270 nan 0.000 0.445 642 V N 5.123 124.981 119.914 -0.092 0.000 2.334 642 V HA 0.469 4.581 4.120 -0.013 0.000 0.281 642 V C -0.037 176.012 176.094 -0.075 0.000 1.016 642 V CA -0.600 61.646 62.300 -0.090 0.000 0.832 642 V CB 1.409 33.172 31.823 -0.100 0.000 0.999 642 V HN 0.580 nan 8.190 nan 0.000 0.439 643 I N 4.833 125.360 120.570 -0.072 0.000 2.498 643 I HA 0.447 4.609 4.170 -0.013 0.000 0.290 643 I C -0.875 175.225 176.117 -0.028 0.000 1.032 643 I CA -0.453 60.817 61.300 -0.051 0.000 1.073 643 I CB 2.135 40.080 38.000 -0.091 0.000 1.251 643 I HN 0.560 nan 8.210 nan 0.000 0.426 644 F N 7.761 127.644 119.950 -0.113 0.000 2.371 644 F HA 0.441 4.961 4.527 -0.012 0.000 0.363 644 F C -0.672 175.057 175.800 -0.118 0.000 1.122 644 F CA -0.733 57.200 58.000 -0.111 0.000 1.129 644 F CB 0.578 39.519 39.000 -0.099 0.000 1.173 644 F HN 0.133 nan 8.300 nan 0.000 0.489 645 L N 5.842 126.664 121.223 -0.668 0.000 2.485 645 L HA 0.118 4.451 4.340 -0.013 0.000 0.279 645 L C 0.426 176.990 176.870 -0.511 0.000 1.124 645 L CA 0.231 54.781 54.840 -0.484 0.000 0.888 645 L CB -0.178 41.676 42.059 -0.340 0.000 1.217 645 L HN 0.612 nan 8.230 nan 0.000 0.464 646 E N 3.195 123.218 120.200 -0.295 0.000 2.373 646 E HA -0.016 4.327 4.350 -0.013 0.000 0.267 646 E C 0.475 177.107 176.600 0.053 0.000 1.032 646 E CA -0.224 56.154 56.400 -0.037 0.000 0.889 646 E CB 0.303 29.992 29.700 -0.019 0.000 0.984 646 E HN 0.516 nan 8.360 nan 0.000 0.425 647 N N 2.566 121.371 118.700 0.174 0.000 2.705 647 N HA -0.282 4.450 4.740 -0.013 0.000 0.255 647 N C -1.570 174.033 175.510 0.155 0.000 1.008 647 N CA 0.501 53.659 53.050 0.180 0.000 0.742 647 N CB -1.313 37.305 38.487 0.219 0.000 0.906 647 N HN 0.427 nan 8.380 nan 0.000 0.541 648 Y N 1.616 121.911 120.300 -0.008 0.000 2.632 648 Y HA 0.207 4.750 4.550 -0.013 0.000 0.329 648 Y C 1.094 177.003 175.900 0.015 0.000 1.174 648 Y CA 0.302 58.383 58.100 -0.032 0.000 1.469 648 Y CB 0.303 38.712 38.460 -0.085 0.000 1.242 648 Y HN 0.379 nan 8.280 nan 0.000 0.540 649 R N 2.573 122.775 120.500 -0.496 0.000 2.781 649 R HA 0.490 4.822 4.340 -0.013 0.000 0.268 649 R C -0.181 175.793 176.300 -0.543 0.000 1.047 649 R CA -0.696 55.153 56.100 -0.418 0.000 0.925 649 R CB 0.392 30.637 30.300 -0.093 0.000 1.246 649 R HN 0.351 nan 8.270 nan 0.000 0.456 650 V N 1.100 120.713 119.914 -0.502 0.000 2.252 650 V HA -0.312 3.801 4.120 -0.013 0.000 0.249 650 V C 2.559 178.535 176.094 -0.196 0.000 1.056 650 V CA 2.934 65.008 62.300 -0.377 0.000 1.022 650 V CB -0.809 30.745 31.823 -0.447 0.000 0.641 650 V HN 0.960 nan 8.190 nan 0.000 0.445 651 S N -0.133 115.472 115.700 -0.159 0.000 2.419 651 S HA -0.176 4.287 4.470 -0.013 0.000 0.233 651 S C 1.896 176.459 174.600 -0.062 0.000 1.016 651 S CA 1.665 59.805 58.200 -0.100 0.000 0.974 651 S CB -0.474 62.696 63.200 -0.050 0.000 0.786 651 S HN 0.387 nan 8.310 nan 0.000 0.492 652 L N 1.944 123.135 121.223 -0.054 0.000 2.131 652 L HA 0.388 4.721 4.340 -0.013 0.000 0.206 652 L C 2.650 179.529 176.870 0.016 0.000 1.087 652 L CA 1.357 56.204 54.840 0.012 0.000 0.767 652 L CB -1.480 40.638 42.059 0.099 0.000 0.917 652 L HN 0.329 nan 8.230 nan 0.000 0.441 653 A N -0.580 122.232 122.820 -0.014 0.000 1.940 653 A HA -0.230 4.082 4.320 -0.013 0.000 0.219 653 A C 2.083 179.715 177.584 0.079 0.000 1.176 653 A CA 1.774 53.869 52.037 0.096 0.000 0.631 653 A CB -0.630 18.397 19.000 0.046 0.000 0.814 653 A HN 0.604 nan 8.150 nan 0.000 0.446 654 E N -0.520 119.720 120.200 0.067 0.000 2.401 654 E HA -0.146 4.196 4.350 -0.013 0.000 0.199 654 E C 1.718 178.288 176.600 -0.050 0.000 1.023 654 E CA 1.035 57.442 56.400 0.012 0.000 0.859 654 E CB -0.030 29.592 29.700 -0.130 0.000 0.780 654 E HN 0.635 nan 8.360 nan 0.000 0.523 655 K N -0.199 120.148 120.400 -0.089 0.000 2.214 655 K HA -0.003 4.309 4.320 -0.013 0.000 0.201 655 K C 2.158 178.552 176.600 -0.342 0.000 1.049 655 K CA 0.744 56.957 56.287 -0.124 0.000 0.978 655 K CB 0.435 32.867 32.500 -0.113 0.000 0.842 655 K HN -0.014 nan 8.250 nan 0.000 0.474 656 V N 0.656 120.274 119.914 -0.494 0.000 2.346 656 V HA -0.143 3.969 4.120 -0.013 0.000 0.244 656 V C 2.186 178.023 176.094 -0.429 0.000 1.037 656 V CA 1.149 62.972 62.300 -0.795 0.000 1.029 656 V CB -0.785 30.685 31.823 -0.590 0.000 0.663 656 V HN 0.156 nan 8.190 nan 0.000 0.454 657 I N 1.072 121.420 120.570 -0.370 0.000 2.145 657 I HA -0.174 3.988 4.170 -0.013 0.000 0.244 657 I C -0.138 175.847 176.117 -0.220 0.000 1.075 657 I CA 1.987 62.987 61.300 -0.499 0.000 1.332 657 I CB -1.688 35.900 38.000 -0.687 0.000 1.033 657 I HN 0.371 nan 8.210 nan 0.000 0.410 658 P HA -0.071 nan 4.420 nan 0.000 0.230 658 P C 0.748 178.048 177.300 -0.001 0.000 1.158 658 P CA 1.105 64.180 63.100 -0.042 0.000 0.769 658 P CB 0.056 31.743 31.700 -0.022 0.000 0.807 659 A N -1.308 121.497 122.820 -0.025 0.000 2.348 659 A HA 0.559 4.871 4.320 -0.013 0.000 0.224 659 A C 1.084 178.789 177.584 0.203 0.000 1.227 659 A CA -0.026 52.062 52.037 0.084 0.000 0.885 659 A CB -0.418 18.642 19.000 0.099 0.000 0.933 659 A HN 0.185 nan 8.150 nan 0.000 0.506 660 A N -0.191 122.731 122.820 0.170 0.000 2.340 660 A HA 0.512 4.824 4.320 -0.013 0.000 0.268 660 A C 0.309 178.043 177.584 0.250 0.000 1.100 660 A CA -0.184 52.014 52.037 0.268 0.000 0.803 660 A CB 0.407 19.665 19.000 0.431 0.000 1.043 660 A HN 0.239 nan 8.150 nan 0.000 0.488 661 D N 0.354 120.893 120.400 0.232 0.000 2.431 661 D HA 0.139 4.771 4.640 -0.013 0.000 0.235 661 D C 0.005 176.489 176.300 0.306 0.000 0.980 661 D CA 0.697 54.870 54.000 0.289 0.000 0.912 661 D CB 0.276 41.159 40.800 0.138 0.000 1.056 661 D HN 0.360 nan 8.370 nan 0.000 0.494 662 L N 1.235 122.528 121.223 0.116 0.000 2.356 662 L HA 0.303 4.635 4.340 -0.013 0.000 0.277 662 L C -0.683 176.044 176.870 -0.239 0.000 0.996 662 L CA -0.307 54.523 54.840 -0.016 0.000 0.822 662 L CB 2.003 44.024 42.059 -0.063 0.000 1.256 662 L HN -0.140 nan 8.230 nan 0.000 0.413 663 S N 4.352 119.815 115.700 -0.395 0.000 2.442 663 S HA 0.381 4.843 4.470 -0.013 0.000 0.297 663 S C -0.520 173.783 174.600 -0.495 0.000 1.131 663 S CA -0.681 57.012 58.200 -0.845 0.000 1.092 663 S CB 0.986 63.584 63.200 -1.002 0.000 0.998 663 S HN 0.575 nan 8.310 nan 0.000 0.478 664 E N 3.868 123.791 120.200 -0.460 0.000 2.109 664 E HA 0.253 4.595 4.350 -0.013 0.000 0.278 664 E C -0.638 175.848 176.600 -0.189 0.000 0.954 664 E CA -0.521 55.743 56.400 -0.227 0.000 0.779 664 E CB 1.248 30.847 29.700 -0.169 0.000 1.093 664 E HN 0.619 nan 8.360 nan 0.000 0.401 665 Q N 2.944 122.689 119.800 -0.092 0.000 3.122 665 Q HA 0.258 4.590 4.340 -0.013 0.000 0.282 665 Q C 0.544 176.533 176.000 -0.019 0.000 0.947 665 Q CA -0.126 55.637 55.803 -0.066 0.000 0.812 665 Q CB 0.365 29.076 28.738 -0.044 0.000 1.333 665 Q HN 0.623 nan 8.270 nan 0.000 0.430 666 I N -1.273 119.276 120.570 -0.035 0.000 3.626 666 I HA 0.278 4.440 4.170 -0.013 0.000 0.345 666 I C 0.165 176.235 176.117 -0.078 0.000 1.502 666 I CA -0.536 60.756 61.300 -0.014 0.000 1.135 666 I CB 0.098 38.089 38.000 -0.016 0.000 1.456 666 I HN -0.027 nan 8.210 nan 0.000 0.460 667 S N 0.487 116.138 115.700 -0.081 0.000 2.603 667 S HA 0.289 4.751 4.470 -0.013 0.000 0.268 667 S C 0.512 175.098 174.600 -0.024 0.000 1.317 667 S CA -0.390 57.776 58.200 -0.056 0.000 1.012 667 S CB 0.828 64.035 63.200 0.013 0.000 0.926 667 S HN 0.416 nan 8.310 nan 0.000 0.539 668 T N 2.596 117.172 114.554 0.037 0.000 2.853 668 T HA 0.403 4.745 4.350 -0.013 0.000 0.298 668 T C 0.731 175.449 174.700 0.030 0.000 0.978 668 T CA 0.157 62.288 62.100 0.052 0.000 1.152 668 T CB -0.039 68.935 68.868 0.177 0.000 0.914 668 T HN 0.975 nan 8.240 nan 0.000 0.539 669 A N 2.912 125.716 122.820 -0.026 0.000 2.598 669 A HA 0.424 4.736 4.320 -0.013 0.000 0.239 669 A C 1.670 179.251 177.584 -0.005 0.000 1.032 669 A CA 0.373 52.390 52.037 -0.034 0.000 0.760 669 A CB -0.863 18.104 19.000 -0.056 0.000 0.946 669 A HN 1.723 nan 8.150 nan 0.000 0.512 670 G N 1.283 110.080 108.800 -0.006 0.000 2.175 670 G HA2 -0.246 3.707 3.960 -0.013 0.000 0.244 670 G HA3 -0.246 3.707 3.960 -0.013 0.000 0.244 670 G C 0.908 175.805 174.900 -0.005 0.000 0.982 670 G CA 1.224 46.323 45.100 -0.002 0.000 0.641 670 G HN 2.123 nan 8.290 nan 0.000 0.527 671 T N -2.597 111.956 114.554 -0.001 0.000 3.000 671 T HA 0.414 4.757 4.350 -0.013 0.000 0.248 671 T C 0.716 175.300 174.700 -0.193 0.000 1.034 671 T CA 1.075 63.119 62.100 -0.092 0.000 1.060 671 T CB 0.590 69.447 68.868 -0.019 0.000 0.983 671 T HN 0.285 nan 8.240 nan 0.000 0.482 672 E N 1.478 121.681 120.200 0.006 0.000 2.044 672 E HA 0.675 5.017 4.350 -0.013 0.000 0.282 672 E C 1.212 177.773 176.600 -0.065 0.000 1.031 672 E CA 0.071 56.512 56.400 0.069 0.000 0.824 672 E CB 0.779 30.561 29.700 0.136 0.000 1.076 672 E HN 0.329 nan 8.360 nan 0.000 0.395 673 A N 3.463 126.169 122.820 -0.191 0.000 1.903 673 A HA -0.252 4.061 4.320 -0.013 0.000 0.219 673 A C 1.951 179.403 177.584 -0.220 0.000 1.191 673 A CA 2.429 54.209 52.037 -0.428 0.000 0.638 673 A CB -0.285 18.305 19.000 -0.684 0.000 0.823 673 A HN 0.633 nan 8.150 nan 0.000 0.451 674 S N -4.435 111.205 115.700 -0.101 0.000 4.428 674 S HA 0.444 4.906 4.470 -0.013 0.000 0.199 674 S C 0.651 175.237 174.600 -0.023 0.000 1.156 674 S CA 1.338 59.520 58.200 -0.031 0.000 1.134 674 S CB -0.213 62.991 63.200 0.008 0.000 1.531 674 S HN 2.368 nan 8.310 nan 0.000 0.551 675 G N 0.214 109.007 108.800 -0.013 0.000 2.692 675 G HA2 0.019 3.971 3.960 -0.013 0.000 0.686 675 G HA3 0.019 3.971 3.960 -0.013 0.000 0.686 675 G C 0.202 175.079 174.900 -0.039 0.000 1.243 675 G CA 0.449 45.538 45.100 -0.018 0.000 0.782 675 G HN 1.411 nan 8.290 nan 0.000 0.625 676 T N -2.093 112.425 114.554 -0.061 0.000 3.029 676 T HA 0.386 4.729 4.350 -0.013 0.000 0.256 676 T C 2.295 176.892 174.700 -0.171 0.000 0.914 676 T CA 1.217 63.252 62.100 -0.108 0.000 0.880 676 T CB 0.354 69.155 68.868 -0.112 0.000 1.246 676 T HN 1.857 nan 8.240 nan 0.000 0.523 677 G N 3.258 111.987 108.800 -0.119 0.000 2.418 677 G HA2 -0.247 3.706 3.960 -0.013 0.000 0.217 677 G HA3 -0.247 3.706 3.960 -0.013 0.000 0.217 677 G C 1.462 176.401 174.900 0.066 0.000 1.158 677 G CA 1.162 46.210 45.100 -0.087 0.000 0.771 677 G HN 0.797 nan 8.290 nan 0.000 0.545 678 N N 0.429 119.158 118.700 0.047 0.000 2.060 678 N HA -0.215 4.517 4.740 -0.013 0.000 0.195 678 N C 2.242 177.760 175.510 0.014 0.000 1.028 678 N CA 1.651 54.731 53.050 0.050 0.000 0.861 678 N CB -0.424 38.044 38.487 -0.032 0.000 1.029 678 N HN 0.366 nan 8.380 nan 0.000 0.428 679 M N 0.780 120.315 119.600 -0.108 0.000 2.175 679 M HA -0.040 4.432 4.480 -0.013 0.000 0.264 679 M C 2.089 178.343 176.300 -0.076 0.000 1.063 679 M CA 1.476 56.696 55.300 -0.132 0.000 1.119 679 M CB -0.190 32.322 32.600 -0.147 0.000 1.377 679 M HN 0.093 nan 8.290 nan 0.000 0.415 680 K N 0.205 120.491 120.400 -0.189 0.000 2.063 680 K HA -0.129 4.183 4.320 -0.013 0.000 0.208 680 K C 1.706 178.198 176.600 -0.181 0.000 1.048 680 K CA 1.506 57.611 56.287 -0.302 0.000 0.928 680 K CB -0.279 31.818 32.500 -0.672 0.000 0.713 680 K HN 0.161 nan 8.250 nan 0.000 0.442 681 F N 0.848 120.727 119.950 -0.118 0.000 2.186 681 F HA -0.111 4.408 4.527 -0.013 0.000 0.299 681 F C 2.524 178.299 175.800 -0.041 0.000 1.090 681 F CA 1.122 59.078 58.000 -0.074 0.000 1.307 681 F CB -0.274 38.672 39.000 -0.089 0.000 1.019 681 F HN 0.004 nan 8.300 nan 0.000 0.489 682 M N -0.363 119.328 119.600 0.153 0.000 2.159 682 M HA -0.190 4.283 4.480 -0.013 0.000 0.263 682 M C 1.996 178.357 176.300 0.101 0.000 1.063 682 M CA 1.607 56.968 55.300 0.102 0.000 1.110 682 M CB -0.189 32.471 32.600 0.100 0.000 1.374 682 M HN 0.280 nan 8.290 nan 0.000 0.411 683 L N 0.342 121.623 121.223 0.096 0.000 2.478 683 L HA 0.024 4.357 4.340 -0.013 0.000 0.223 683 L C 1.094 178.012 176.870 0.081 0.000 1.140 683 L CA 1.262 56.163 54.840 0.101 0.000 0.842 683 L CB -0.372 41.758 42.059 0.118 0.000 0.953 683 L HN 0.298 nan 8.230 nan 0.000 0.452 684 N N 0.163 118.903 118.700 0.067 0.000 2.238 684 N HA 0.185 4.918 4.740 -0.013 0.000 0.222 684 N C 0.716 176.265 175.510 0.066 0.000 1.133 684 N CA 0.747 53.829 53.050 0.054 0.000 0.854 684 N CB 0.568 39.064 38.487 0.015 0.000 1.041 684 N HN 0.370 nan 8.380 nan 0.000 0.510 685 G N 0.713 109.556 108.800 0.072 0.000 2.212 685 G HA2 -0.188 3.764 3.960 -0.013 0.000 0.255 685 G HA3 -0.188 3.764 3.960 -0.013 0.000 0.255 685 G C -0.079 174.892 174.900 0.120 0.000 1.062 685 G CA 0.240 45.384 45.100 0.073 0.000 0.815 685 G HN 0.521 nan 8.290 nan 0.000 0.497 686 A N -0.731 122.165 122.820 0.128 0.000 2.356 686 A HA 0.912 5.225 4.320 -0.013 0.000 0.323 686 A C -0.392 177.204 177.584 0.020 0.000 1.119 686 A CA -0.763 51.368 52.037 0.157 0.000 0.790 686 A CB 1.586 20.742 19.000 0.259 0.000 1.273 686 A HN 0.821 nan 8.150 nan 0.000 0.452 687 L N 0.771 121.981 121.223 -0.023 0.000 2.343 687 L HA 0.564 4.897 4.340 -0.013 0.000 0.275 687 L C 0.345 177.091 176.870 -0.206 0.000 1.056 687 L CA 0.368 55.093 54.840 -0.192 0.000 0.804 687 L CB 1.703 43.567 42.059 -0.324 0.000 1.203 687 L HN 0.729 nan 8.230 nan 0.000 0.440 688 T N 4.593 118.892 114.554 -0.425 0.000 2.749 688 T HA 0.480 4.822 4.350 -0.013 0.000 0.287 688 T C -0.101 174.457 174.700 -0.237 0.000 0.970 688 T CA -0.116 61.711 62.100 -0.455 0.000 0.980 688 T CB 0.596 69.012 68.868 -0.754 0.000 0.924 688 T HN 0.438 nan 8.240 nan 0.000 0.456 689 I N 3.323 123.858 120.570 -0.060 0.000 2.330 689 I HA 0.698 4.860 4.170 -0.013 0.000 0.289 689 I C 0.197 176.463 176.117 0.248 0.000 1.001 689 I CA 0.126 61.508 61.300 0.136 0.000 1.193 689 I CB 0.103 38.101 38.000 -0.003 0.000 1.345 689 I HN 0.771 nan 8.210 nan 0.000 0.461 690 G N 4.107 113.132 108.800 0.376 0.000 2.606 690 G HA2 0.483 4.435 3.960 -0.013 0.000 0.300 690 G HA3 0.483 4.435 3.960 -0.013 0.000 0.300 690 G C -0.968 173.878 174.900 -0.089 0.000 1.360 690 G CA -0.274 44.972 45.100 0.242 0.000 0.783 690 G HN 0.562 nan 8.290 nan 0.000 0.484 691 T N -1.855 112.535 114.554 -0.273 0.000 2.927 691 T HA 0.548 4.890 4.350 -0.013 0.000 0.281 691 T C 0.604 175.194 174.700 -0.183 0.000 0.998 691 T CA -0.746 61.104 62.100 -0.417 0.000 1.019 691 T CB 1.381 69.994 68.868 -0.426 0.000 1.061 691 T HN 0.250 nan 8.240 nan 0.000 0.518 692 M N 2.857 122.354 119.600 -0.171 0.000 3.596 692 M HA 0.317 4.789 4.480 -0.013 0.000 0.212 692 M C -0.458 175.790 176.300 -0.088 0.000 1.519 692 M CA -0.046 55.188 55.300 -0.111 0.000 1.670 692 M CB -1.873 30.669 32.600 -0.097 0.000 1.113 692 M HN 0.718 nan 8.290 nan 0.000 0.565 693 D N -0.314 120.041 120.400 -0.076 0.000 2.527 693 D HA 0.671 5.304 4.640 -0.013 0.000 0.233 693 D C 0.833 177.112 176.300 -0.036 0.000 1.063 693 D CA 0.697 54.668 54.000 -0.049 0.000 0.880 693 D CB 1.739 42.513 40.800 -0.043 0.000 1.457 693 D HN 0.566 nan 8.370 nan 0.000 0.475 694 G N 1.822 110.611 108.800 -0.018 0.000 2.652 694 G HA2 -0.296 3.656 3.960 -0.013 0.000 0.318 694 G HA3 -0.296 3.656 3.960 -0.013 0.000 0.318 694 G C 1.045 175.937 174.900 -0.015 0.000 1.295 694 G CA 1.279 46.372 45.100 -0.012 0.000 0.999 694 G HN 1.029 nan 8.290 nan 0.000 0.548 695 A N -0.274 122.529 122.820 -0.029 0.000 2.206 695 A HA 0.129 4.442 4.320 -0.013 0.000 0.211 695 A C 2.087 179.603 177.584 -0.114 0.000 1.158 695 A CA 1.767 53.777 52.037 -0.045 0.000 0.761 695 A CB -0.420 18.532 19.000 -0.080 0.000 0.801 695 A HN 0.601 nan 8.150 nan 0.000 0.473 696 N N 0.481 119.122 118.700 -0.098 0.000 2.137 696 N HA -0.150 4.582 4.740 -0.013 0.000 0.190 696 N C 1.570 176.946 175.510 -0.222 0.000 1.017 696 N CA 1.581 54.562 53.050 -0.114 0.000 0.859 696 N CB -0.548 37.920 38.487 -0.031 0.000 1.002 696 N HN 0.287 nan 8.380 nan 0.000 0.428 697 V N 1.226 121.055 119.914 -0.142 0.000 2.295 697 V HA -0.203 3.910 4.120 -0.013 0.000 0.246 697 V C 1.913 177.932 176.094 -0.126 0.000 1.049 697 V CA 1.651 63.867 62.300 -0.141 0.000 1.024 697 V CB -0.479 31.298 31.823 -0.077 0.000 0.648 697 V HN 0.354 nan 8.190 nan 0.000 0.447 698 E N -0.615 119.568 120.200 -0.028 0.000 2.208 698 E HA -0.141 4.202 4.350 -0.013 0.000 0.193 698 E C 2.173 178.895 176.600 0.203 0.000 0.988 698 E CA 1.034 57.495 56.400 0.100 0.000 0.828 698 E CB -0.155 29.686 29.700 0.233 0.000 0.763 698 E HN 0.562 nan 8.360 nan 0.000 0.478 699 M N 0.238 119.845 119.600 0.011 0.000 2.123 699 M HA -0.070 4.403 4.480 -0.013 0.000 0.263 699 M C 2.488 178.583 176.300 -0.342 0.000 1.069 699 M CA 1.361 56.624 55.300 -0.061 0.000 1.133 699 M CB -0.098 32.338 32.600 -0.273 0.000 1.356 699 M HN 0.123 nan 8.290 nan 0.000 0.415 700 A N 0.014 122.324 122.820 -0.850 0.000 1.930 700 A HA -0.206 4.107 4.320 -0.013 0.000 0.217 700 A C 1.974 179.362 177.584 -0.326 0.000 1.175 700 A CA 1.893 53.373 52.037 -0.929 0.000 0.627 700 A CB -0.786 17.674 19.000 -0.900 0.000 0.815 700 A HN 0.585 nan 8.150 nan 0.000 0.443 701 E N -0.369 119.704 120.200 -0.211 0.000 2.110 701 E HA -0.206 4.136 4.350 -0.013 0.000 0.193 701 E C 1.698 178.267 176.600 -0.052 0.000 0.988 701 E CA 1.244 57.584 56.400 -0.100 0.000 0.804 701 E CB -0.053 29.609 29.700 -0.064 0.000 0.745 701 E HN 0.570 nan 8.360 nan 0.000 0.458 702 E N -0.142 120.052 120.200 -0.011 0.000 2.112 702 E HA -0.071 4.272 4.350 -0.013 0.000 0.190 702 E C 1.754 178.374 176.600 0.033 0.000 0.979 702 E CA 0.991 57.405 56.400 0.023 0.000 0.814 702 E CB 0.080 29.831 29.700 0.083 0.000 0.762 702 E HN 0.352 nan 8.360 nan 0.000 0.460 703 A N 0.423 123.272 122.820 0.048 0.000 2.147 703 A HA 0.381 4.694 4.320 -0.013 0.000 0.211 703 A C 1.001 178.606 177.584 0.034 0.000 1.160 703 A CA 0.970 53.051 52.037 0.075 0.000 0.781 703 A CB 0.211 19.319 19.000 0.179 0.000 0.842 703 A HN 0.218 nan 8.150 nan 0.000 0.475 704 G N -0.450 108.345 108.800 -0.009 0.000 3.067 704 G HA2 -0.085 3.868 3.960 -0.013 0.000 0.686 704 G HA3 -0.085 3.868 3.960 -0.013 0.000 0.686 704 G C -0.073 174.815 174.900 -0.020 0.000 1.119 704 G CA -0.019 45.068 45.100 -0.022 0.000 0.790 704 G HN 0.230 nan 8.290 nan 0.000 0.605 705 E N 0.792 120.965 120.200 -0.044 0.000 2.267 705 E HA -0.138 4.204 4.350 -0.013 0.000 0.197 705 E C 2.041 178.629 176.600 -0.020 0.000 0.998 705 E CA 1.687 58.069 56.400 -0.030 0.000 0.830 705 E CB 0.096 29.772 29.700 -0.040 0.000 0.751 705 E HN 0.784 nan 8.360 nan 0.000 0.491 706 E N 0.602 120.777 120.200 -0.042 0.000 2.204 706 E HA -0.087 4.256 4.350 -0.013 0.000 0.194 706 E C 1.023 177.534 176.600 -0.148 0.000 0.989 706 E CA 0.688 57.040 56.400 -0.081 0.000 0.824 706 E CB 0.048 29.712 29.700 -0.059 0.000 0.756 706 E HN 0.155 nan 8.360 nan 0.000 0.477 707 N N -0.288 118.356 118.700 -0.092 0.000 2.276 707 N HA 0.129 4.861 4.740 -0.013 0.000 0.212 707 N C -0.905 174.525 175.510 -0.133 0.000 1.127 707 N CA 0.151 53.117 53.050 -0.140 0.000 0.834 707 N CB 0.370 38.830 38.487 -0.045 0.000 1.014 707 N HN 0.037 nan 8.380 nan 0.000 0.491 708 F N -0.461 119.280 119.950 -0.348 0.000 2.588 708 F HA 0.411 4.930 4.527 -0.014 0.000 0.314 708 F C -0.748 174.837 175.800 -0.358 0.000 1.069 708 F CA -1.110 56.725 58.000 -0.275 0.000 0.931 708 F CB 1.384 40.314 39.000 -0.117 0.000 1.260 708 F HN -0.223 nan 8.300 nan 0.000 0.465 709 F N 4.787 124.750 119.950 0.022 0.000 2.344 709 F HA 0.430 4.950 4.527 -0.012 0.000 0.344 709 F C -0.389 175.548 175.800 0.229 0.000 1.140 709 F CA -0.485 57.563 58.000 0.081 0.000 1.256 709 F CB -0.012 38.979 39.000 -0.015 0.000 1.573 709 F HN 0.042 nan 8.300 nan 0.000 0.547 710 I N 3.330 124.112 120.570 0.353 0.000 2.472 710 I HA 0.403 4.566 4.170 -0.013 0.000 0.290 710 I C -0.075 176.220 176.117 0.298 0.000 1.016 710 I CA -0.367 61.094 61.300 0.269 0.000 1.348 710 I CB 0.627 38.705 38.000 0.130 0.000 1.417 710 I HN 0.362 nan 8.210 nan 0.000 0.521 711 F N 2.829 122.848 119.950 0.115 0.000 2.789 711 F HA 0.902 5.421 4.527 -0.013 0.000 0.319 711 F C 0.145 175.989 175.800 0.075 0.000 1.168 711 F CA -0.594 57.464 58.000 0.097 0.000 0.934 711 F CB 0.561 39.633 39.000 0.119 0.000 1.375 711 F HN 0.853 nan 8.300 nan 0.000 0.480 712 G N 0.915 109.786 108.800 0.119 0.000 2.804 712 G HA2 -0.163 3.790 3.960 -0.013 0.000 0.230 712 G HA3 -0.163 3.790 3.960 -0.013 0.000 0.230 712 G C -0.674 174.196 174.900 -0.051 0.000 1.386 712 G CA -0.389 44.712 45.100 0.001 0.000 0.875 712 G HN 0.974 nan 8.290 nan 0.000 0.557 713 M N 0.573 120.157 119.600 -0.027 0.000 2.250 713 M HA 0.247 4.719 4.480 -0.013 0.000 0.325 713 M C 1.252 177.519 176.300 -0.056 0.000 1.084 713 M CA 0.188 55.478 55.300 -0.017 0.000 1.161 713 M CB 0.354 32.953 32.600 -0.002 0.000 1.481 713 M HN 0.579 nan 8.290 nan 0.000 0.449 714 R N 1.292 121.773 120.500 -0.033 0.000 2.602 714 R HA 0.351 4.683 4.340 -0.013 0.000 0.237 714 R C 1.120 177.401 176.300 -0.031 0.000 1.219 714 R CA -0.682 55.392 56.100 -0.042 0.000 1.121 714 R CB -0.164 30.118 30.300 -0.029 0.000 1.408 714 R HN 0.558 nan 8.270 nan 0.000 0.559 715 V N 1.778 121.673 119.914 -0.031 0.000 2.343 715 V HA -0.232 3.880 4.120 -0.013 0.000 0.247 715 V C 2.039 178.123 176.094 -0.016 0.000 1.051 715 V CA 1.853 64.138 62.300 -0.025 0.000 1.036 715 V CB -0.392 31.414 31.823 -0.027 0.000 0.654 715 V HN 0.556 nan 8.190 nan 0.000 0.451 716 E N 0.231 120.423 120.200 -0.013 0.000 2.070 716 E HA -0.246 4.096 4.350 -0.013 0.000 0.197 716 E C 1.936 178.539 176.600 0.006 0.000 1.004 716 E CA 1.663 58.060 56.400 -0.005 0.000 0.805 716 E CB -0.787 28.912 29.700 -0.003 0.000 0.744 716 E HN 0.643 nan 8.360 nan 0.000 0.451 717 D N 0.691 121.097 120.400 0.010 0.000 2.149 717 D HA -0.111 4.522 4.640 -0.013 0.000 0.198 717 D C 2.129 178.446 176.300 0.028 0.000 0.990 717 D CA 1.069 55.086 54.000 0.027 0.000 0.839 717 D CB -0.001 40.819 40.800 0.033 0.000 0.948 717 D HN 0.047 nan 8.370 nan 0.000 0.460 718 V N 1.844 121.762 119.914 0.007 0.000 2.295 718 V HA -0.206 3.906 4.120 -0.013 0.000 0.246 718 V C 2.007 178.101 176.094 0.001 0.000 1.049 718 V CA 1.685 63.981 62.300 -0.006 0.000 1.024 718 V CB -0.388 31.421 31.823 -0.023 0.000 0.648 718 V HN 0.034 nan 8.190 nan 0.000 0.447 719 D N -0.337 120.064 120.400 0.001 0.000 2.144 719 D HA -0.134 4.498 4.640 -0.013 0.000 0.200 719 D C 2.356 178.668 176.300 0.020 0.000 0.978 719 D CA 1.064 55.066 54.000 0.004 0.000 0.833 719 D CB -0.218 40.581 40.800 -0.003 0.000 0.961 719 D HN 0.301 nan 8.370 nan 0.000 0.470 720 R N 0.253 120.770 120.500 0.028 0.000 2.083 720 R HA -0.049 4.283 4.340 -0.013 0.000 0.237 720 R C 2.471 178.806 176.300 0.059 0.000 1.137 720 R CA 0.665 56.789 56.100 0.040 0.000 0.951 720 R CB -0.406 29.920 30.300 0.044 0.000 0.851 720 R HN 0.168 nan 8.270 nan 0.000 0.434 721 L N 0.514 121.782 121.223 0.075 0.000 2.131 721 L HA -0.230 4.102 4.340 -0.013 0.000 0.210 721 L C 1.399 178.335 176.870 0.111 0.000 1.092 721 L CA 1.415 56.326 54.840 0.118 0.000 0.759 721 L CB -0.272 41.871 42.059 0.141 0.000 0.903 721 L HN 0.306 nan 8.230 nan 0.000 0.435 722 D N -1.016 119.423 120.400 0.065 0.000 2.149 722 D HA -0.147 4.485 4.640 -0.013 0.000 0.201 722 D C 2.282 178.613 176.300 0.051 0.000 0.972 722 D CA 0.707 54.739 54.000 0.054 0.000 0.835 722 D CB 0.043 40.853 40.800 0.018 0.000 0.966 722 D HN 0.347 nan 8.370 nan 0.000 0.476 723 Q N 0.731 120.557 119.800 0.042 0.000 2.002 723 Q HA -0.144 4.188 4.340 -0.013 0.000 0.204 723 Q C 2.276 178.303 176.000 0.045 0.000 0.988 723 Q CA 0.955 56.779 55.803 0.036 0.000 0.843 723 Q CB -0.518 28.238 28.738 0.030 0.000 0.908 723 Q HN 0.300 nan 8.270 nan 0.000 0.420 724 R N 0.268 120.802 120.500 0.057 0.000 2.094 724 R HA -0.088 4.244 4.340 -0.013 0.000 0.239 724 R C 0.293 176.635 176.300 0.070 0.000 1.137 724 R CA 1.344 57.482 56.100 0.062 0.000 0.943 724 R CB -0.229 30.118 30.300 0.078 0.000 0.850 724 R HN 0.440 nan 8.270 nan 0.000 0.433 725 G N -0.756 108.103 108.800 0.097 0.000 3.187 725 G HA2 -0.212 3.740 3.960 -0.013 0.000 0.682 725 G HA3 -0.212 3.740 3.960 -0.013 0.000 0.682 725 G C -1.481 173.521 174.900 0.169 0.000 1.266 725 G CA -0.469 44.697 45.100 0.110 0.000 0.902 725 G HN 0.303 nan 8.290 nan 0.000 0.589 726 Y N 3.819 124.154 120.300 0.058 0.000 2.365 726 Y HA 0.607 5.150 4.550 -0.013 0.000 0.340 726 Y C 0.262 176.220 175.900 0.096 0.000 1.016 726 Y CA -0.961 57.191 58.100 0.088 0.000 1.196 726 Y CB 1.009 39.500 38.460 0.051 0.000 1.167 726 Y HN 0.575 nan 8.280 nan 0.000 0.509 727 N N 5.078 123.548 118.700 -0.384 0.000 2.524 727 N HA 0.292 5.024 4.740 -0.013 0.000 0.261 727 N C -0.013 175.239 175.510 -0.430 0.000 0.998 727 N CA 0.260 53.105 53.050 -0.341 0.000 0.915 727 N CB 1.696 40.114 38.487 -0.115 0.000 1.187 727 N HN 0.879 nan 8.380 nan 0.000 0.507 728 A N 3.089 125.592 122.820 -0.529 0.000 2.015 728 A HA -0.174 4.138 4.320 -0.013 0.000 0.219 728 A C 1.921 179.642 177.584 0.228 0.000 1.163 728 A CA 1.184 53.155 52.037 -0.110 0.000 0.646 728 A CB -0.244 18.644 19.000 -0.186 0.000 0.806 728 A HN 0.756 nan 8.150 nan 0.000 0.448 729 Q N 0.341 120.169 119.800 0.045 0.000 2.096 729 Q HA -0.229 4.104 4.340 -0.013 0.000 0.204 729 Q C 1.870 177.947 176.000 0.128 0.000 0.982 729 Q CA 2.257 58.104 55.803 0.074 0.000 0.850 729 Q CB -0.342 28.395 28.738 -0.001 0.000 0.901 729 Q HN 0.753 nan 8.270 nan 0.000 0.422 730 E N -1.251 118.964 120.200 0.026 0.000 2.065 730 E HA -0.257 4.085 4.350 -0.013 0.000 0.201 730 E C 1.711 178.244 176.600 -0.112 0.000 1.016 730 E CA 1.735 58.076 56.400 -0.099 0.000 0.818 730 E CB -0.252 29.284 29.700 -0.273 0.000 0.749 730 E HN 0.567 nan 8.360 nan 0.000 0.453 731 Y N -1.206 119.142 120.300 0.080 0.000 2.224 731 Y HA -0.227 4.315 4.550 -0.013 0.000 0.289 731 Y C 2.179 178.051 175.900 -0.048 0.000 1.146 731 Y CA 1.538 59.669 58.100 0.052 0.000 1.182 731 Y CB -0.599 37.942 38.460 0.136 0.000 0.983 731 Y HN 0.274 nan 8.280 nan 0.000 0.524 732 Y N 1.098 121.403 120.300 0.008 0.000 2.181 732 Y HA -0.245 4.297 4.550 -0.013 0.000 0.288 732 Y C 1.930 177.782 175.900 -0.079 0.000 1.146 732 Y CA 1.752 59.782 58.100 -0.117 0.000 1.164 732 Y CB -0.339 38.103 38.460 -0.030 0.000 0.982 732 Y HN 0.051 nan 8.280 nan 0.000 0.515 733 D N -0.079 120.391 120.400 0.117 0.000 2.117 733 D HA -0.130 4.502 4.640 -0.013 0.000 0.198 733 D C 1.946 178.206 176.300 -0.066 0.000 0.982 733 D CA 1.352 55.368 54.000 0.026 0.000 0.828 733 D CB -0.135 40.702 40.800 0.061 0.000 0.967 733 D HN 0.481 nan 8.370 nan 0.000 0.464 734 R N 0.031 120.493 120.500 -0.064 0.000 2.297 734 R HA 0.193 4.525 4.340 -0.013 0.000 0.197 734 R C 0.420 176.686 176.300 -0.057 0.000 0.943 734 R CA 0.153 56.217 56.100 -0.061 0.000 1.038 734 R CB 0.571 30.835 30.300 -0.060 0.000 0.957 734 R HN 0.187 nan 8.270 nan 0.000 0.484 735 I N 2.255 122.769 120.570 -0.093 0.000 2.420 735 I HA 0.215 4.378 4.170 -0.013 0.000 0.282 735 I C -1.889 174.121 176.117 -0.178 0.000 1.019 735 I CA -2.439 58.811 61.300 -0.083 0.000 1.130 735 I CB 2.369 40.352 38.000 -0.028 0.000 1.262 735 I HN -0.265 nan 8.210 nan 0.000 0.454 736 P HA -0.140 nan 4.420 nan 0.000 0.216 736 P C 1.204 178.406 177.300 -0.163 0.000 1.153 736 P CA 1.274 64.275 63.100 -0.165 0.000 0.848 736 P CB 0.314 31.951 31.700 -0.105 0.000 0.787 737 E N -0.830 119.315 120.200 -0.093 0.000 2.077 737 E HA -0.179 4.163 4.350 -0.013 0.000 0.193 737 E C 1.877 178.389 176.600 -0.145 0.000 0.989 737 E CA 0.842 57.208 56.400 -0.057 0.000 0.800 737 E CB -0.649 29.088 29.700 0.062 0.000 0.746 737 E HN 0.102 nan 8.360 nan 0.000 0.452 738 L N 1.417 122.469 121.223 -0.285 0.000 2.056 738 L HA -0.158 4.174 4.340 -0.013 0.000 0.207 738 L C 2.374 178.978 176.870 -0.445 0.000 1.078 738 L CA 1.699 56.199 54.840 -0.567 0.000 0.749 738 L CB -0.440 41.145 42.059 -0.792 0.000 0.901 738 L HN -0.065 nan 8.230 nan 0.000 0.433 739 R N -0.838 119.370 120.500 -0.487 0.000 2.083 739 R HA -0.244 4.088 4.340 -0.013 0.000 0.237 739 R C 2.400 178.540 176.300 -0.268 0.000 1.137 739 R CA 2.004 57.733 56.100 -0.619 0.000 0.951 739 R CB -0.394 29.454 30.300 -0.754 0.000 0.851 739 R HN 0.623 nan 8.270 nan 0.000 0.434 740 Q N 0.435 120.113 119.800 -0.204 0.000 2.096 740 Q HA -0.200 4.132 4.340 -0.013 0.000 0.204 740 Q C 2.070 178.028 176.000 -0.070 0.000 0.982 740 Q CA 2.020 57.750 55.803 -0.121 0.000 0.850 740 Q CB -0.123 28.545 28.738 -0.118 0.000 0.901 740 Q HN 0.485 nan 8.270 nan 0.000 0.422 741 I N 0.072 120.603 120.570 -0.065 0.000 2.179 741 I HA -0.288 3.875 4.170 -0.013 0.000 0.242 741 I C 2.169 178.327 176.117 0.068 0.000 1.088 741 I CA 0.869 62.177 61.300 0.013 0.000 1.357 741 I CB -0.198 37.789 38.000 -0.022 0.000 1.051 741 I HN 0.227 nan 8.210 nan 0.000 0.409 742 I N 0.692 121.294 120.570 0.055 0.000 2.264 742 I HA -0.275 3.887 4.170 -0.013 0.000 0.248 742 I C 2.319 178.540 176.117 0.174 0.000 1.111 742 I CA 1.625 63.019 61.300 0.156 0.000 1.382 742 I CB -0.353 37.814 38.000 0.278 0.000 1.060 742 I HN 0.205 nan 8.210 nan 0.000 0.418 743 E N -0.456 119.829 120.200 0.142 0.000 2.358 743 E HA -0.180 4.162 4.350 -0.013 0.000 0.195 743 E C 2.028 178.696 176.600 0.114 0.000 1.010 743 E CA 0.408 56.885 56.400 0.128 0.000 0.856 743 E CB -0.023 29.734 29.700 0.094 0.000 0.795 743 E HN 0.589 nan 8.360 nan 0.000 0.504 744 Q N 0.354 120.220 119.800 0.110 0.000 2.137 744 Q HA -0.017 4.316 4.340 -0.013 0.000 0.198 744 Q C 2.201 178.392 176.000 0.318 0.000 0.960 744 Q CA 0.662 56.546 55.803 0.136 0.000 0.847 744 Q CB 0.223 28.993 28.738 0.054 0.000 0.915 744 Q HN 0.272 nan 8.270 nan 0.000 0.448 745 L N -0.443 120.974 121.223 0.324 0.000 2.056 745 L HA -0.136 4.197 4.340 -0.013 0.000 0.207 745 L C 2.352 179.404 176.870 0.304 0.000 1.078 745 L CA 0.822 55.868 54.840 0.343 0.000 0.749 745 L CB -0.291 41.888 42.059 0.200 0.000 0.901 745 L HN 0.122 nan 8.230 nan 0.000 0.433 746 S N -0.354 115.482 115.700 0.226 0.000 2.402 746 S HA -0.127 4.336 4.470 -0.013 0.000 0.229 746 S C 2.013 176.713 174.600 0.168 0.000 1.021 746 S CA 1.491 59.802 58.200 0.185 0.000 0.974 746 S CB -0.097 63.192 63.200 0.148 0.000 0.800 746 S HN 0.594 nan 8.310 nan 0.000 0.484 747 S N -0.214 115.589 115.700 0.172 0.000 2.575 747 S HA 0.404 4.867 4.470 -0.013 0.000 0.215 747 S C 1.314 176.006 174.600 0.152 0.000 0.966 747 S CA 0.601 58.887 58.200 0.143 0.000 0.911 747 S CB 0.359 63.632 63.200 0.122 0.000 0.780 747 S HN 0.693 nan 8.310 nan 0.000 0.514 748 G N 0.930 109.851 108.800 0.202 0.000 2.131 748 G HA2 -0.294 3.659 3.960 -0.013 0.000 0.223 748 G HA3 -0.294 3.659 3.960 -0.013 0.000 0.223 748 G C 0.217 175.199 174.900 0.136 0.000 0.990 748 G CA 0.113 45.318 45.100 0.175 0.000 0.671 748 G HN 0.544 nan 8.290 nan 0.000 0.521 749 F N 0.419 120.372 119.950 0.005 0.000 2.202 749 F HA 0.205 4.724 4.527 -0.013 0.000 0.301 749 F C 1.796 177.409 175.800 -0.311 0.000 1.082 749 F CA 1.867 59.753 58.000 -0.190 0.000 1.313 749 F CB -0.077 38.730 39.000 -0.321 0.000 1.024 749 F HN 0.154 nan 8.300 nan 0.000 0.495 750 F N -0.246 119.749 119.950 0.075 0.000 2.695 750 F HA 0.216 4.736 4.527 -0.013 0.000 0.303 750 F C 0.663 176.524 175.800 0.101 0.000 1.091 750 F CA 0.298 58.300 58.000 0.003 0.000 1.300 750 F CB -0.101 38.937 39.000 0.064 0.000 1.071 750 F HN -0.006 nan 8.300 nan 0.000 0.578 751 S N -1.738 114.096 115.700 0.223 0.000 2.564 751 S HA 0.323 4.785 4.470 -0.013 0.000 0.141 751 S C -2.489 172.139 174.600 0.047 0.000 1.474 751 S CA -1.067 57.215 58.200 0.136 0.000 1.236 751 S CB 1.005 64.277 63.200 0.119 0.000 1.481 751 S HN -0.196 nan 8.310 nan 0.000 0.397 752 P HA -0.143 nan 4.420 nan 0.000 0.213 752 P C 1.251 178.550 177.300 -0.002 0.000 1.170 752 P CA 1.525 64.614 63.100 -0.019 0.000 0.902 752 P CB 0.067 31.736 31.700 -0.052 0.000 0.789 753 K N -0.865 119.532 120.400 -0.005 0.000 2.147 753 K HA -0.119 4.193 4.320 -0.013 0.000 0.205 753 K C 0.684 177.286 176.600 0.004 0.000 1.049 753 K CA 1.115 57.402 56.287 0.000 0.000 0.936 753 K CB -0.306 32.195 32.500 0.002 0.000 0.722 753 K HN 0.358 nan 8.250 nan 0.000 0.446 754 Q N -0.271 119.530 119.800 0.000 0.000 2.907 754 Q HA 0.157 4.489 4.340 -0.013 0.000 0.262 754 Q C -2.327 173.671 176.000 -0.004 0.000 0.997 754 Q CA -1.617 54.181 55.803 -0.007 0.000 0.797 754 Q CB 1.552 30.276 28.738 -0.022 0.000 1.228 754 Q HN -0.075 nan 8.270 nan 0.000 0.466 755 P HA -0.232 nan 4.420 nan 0.000 0.218 755 P C 0.608 177.950 177.300 0.070 0.000 1.146 755 P CA 1.408 64.543 63.100 0.057 0.000 0.813 755 P CB 0.225 31.957 31.700 0.055 0.000 0.778 756 D N -1.138 119.286 120.400 0.040 0.000 2.340 756 D HA -0.014 4.618 4.640 -0.013 0.000 0.217 756 D C 1.649 177.956 176.300 0.011 0.000 1.081 756 D CA -0.206 53.824 54.000 0.051 0.000 0.842 756 D CB -0.489 40.340 40.800 0.047 0.000 0.934 756 D HN 0.020 nan 8.370 nan 0.000 0.511 757 L N 0.222 121.391 121.223 -0.088 0.000 2.089 757 L HA -0.140 4.192 4.340 -0.013 0.000 0.213 757 L C 0.926 177.586 176.870 -0.351 0.000 1.079 757 L CA 1.670 56.340 54.840 -0.284 0.000 0.758 757 L CB -0.637 41.084 42.059 -0.562 0.000 0.891 757 L HN -0.064 nan 8.230 nan 0.000 0.433 758 F N -0.390 119.616 119.950 0.094 0.000 2.730 758 F HA 0.191 4.711 4.527 -0.012 0.000 0.295 758 F C 1.752 177.606 175.800 0.091 0.000 1.143 758 F CA -0.053 57.995 58.000 0.078 0.000 1.367 758 F CB -0.710 38.325 39.000 0.058 0.000 0.970 758 F HN 0.153 nan 8.300 nan 0.000 0.514 759 K N -0.791 119.731 120.400 0.203 0.000 2.147 759 K HA -0.146 4.166 4.320 -0.013 0.000 0.205 759 K C 1.048 177.757 176.600 0.181 0.000 1.049 759 K CA 1.822 58.213 56.287 0.173 0.000 0.936 759 K CB -0.203 32.374 32.500 0.129 0.000 0.722 759 K HN 0.022 nan 8.250 nan 0.000 0.446 760 D N 1.235 121.755 120.400 0.198 0.000 2.144 760 D HA -0.081 4.552 4.640 -0.013 0.000 0.200 760 D C 2.000 178.417 176.300 0.195 0.000 0.978 760 D CA 1.099 55.228 54.000 0.214 0.000 0.833 760 D CB -0.104 40.855 40.800 0.266 0.000 0.961 760 D HN 0.295 nan 8.370 nan 0.000 0.470 761 I N 0.386 121.069 120.570 0.188 0.000 2.163 761 I HA -0.219 3.944 4.170 -0.013 0.000 0.240 761 I C 2.467 178.645 176.117 0.102 0.000 1.081 761 I CA 0.579 61.959 61.300 0.133 0.000 1.353 761 I CB -0.228 37.843 38.000 0.118 0.000 1.054 761 I HN -0.129 nan 8.210 nan 0.000 0.407 762 V N 1.008 120.997 119.914 0.126 0.000 2.255 762 V HA -0.355 3.757 4.120 -0.013 0.000 0.247 762 V C 2.181 178.296 176.094 0.035 0.000 1.051 762 V CA 2.624 64.981 62.300 0.096 0.000 1.018 762 V CB -1.057 30.841 31.823 0.126 0.000 0.641 762 V HN 0.505 nan 8.190 nan 0.000 0.445 763 N N -0.497 118.257 118.700 0.090 0.000 2.061 763 N HA -0.269 4.463 4.740 -0.013 0.000 0.193 763 N C 1.996 177.495 175.510 -0.018 0.000 1.030 763 N CA 2.074 55.190 53.050 0.111 0.000 0.856 763 N CB -0.187 38.428 38.487 0.214 0.000 1.023 763 N HN 0.412 nan 8.380 nan 0.000 0.424 764 M N 0.124 119.774 119.600 0.083 0.000 2.067 764 M HA -0.154 4.319 4.480 -0.013 0.000 0.260 764 M C 1.669 177.908 176.300 -0.102 0.000 1.069 764 M CA 1.398 56.764 55.300 0.109 0.000 1.117 764 M CB -0.471 32.254 32.600 0.208 0.000 1.334 764 M HN 0.250 nan 8.290 nan 0.000 0.407 765 L N 0.940 122.084 121.223 -0.133 0.000 2.081 765 L HA -0.236 4.096 4.340 -0.013 0.000 0.212 765 L C 2.446 179.011 176.870 -0.508 0.000 1.080 765 L CA 1.780 56.422 54.840 -0.330 0.000 0.754 765 L CB -1.025 40.880 42.059 -0.256 0.000 0.893 765 L HN 0.410 nan 8.230 nan 0.000 0.433 766 M N -2.222 117.117 119.600 -0.436 0.000 2.334 766 M HA -0.041 4.431 4.480 -0.013 0.000 0.266 766 M C 1.782 177.605 176.300 -0.796 0.000 1.082 766 M CA 1.225 56.163 55.300 -0.603 0.000 1.141 766 M CB -0.687 31.458 32.600 -0.758 0.000 1.380 766 M HN 0.334 nan 8.290 nan 0.000 0.440 767 H N -1.730 117.121 119.070 -0.364 0.000 2.927 767 H HA 0.211 4.760 4.556 -0.013 0.000 0.255 767 H C 0.102 175.173 175.328 -0.428 0.000 0.974 767 H CA 0.599 56.375 56.048 -0.453 0.000 1.199 767 H CB 0.284 29.706 29.762 -0.566 0.000 1.447 767 H HN 0.544 nan 8.280 nan 0.000 0.467 768 H N -0.290 118.836 119.070 0.094 0.000 2.716 768 H HA 0.201 4.749 4.556 -0.013 0.000 0.230 768 H C -0.852 174.493 175.328 0.028 0.000 1.401 768 H CA -0.490 55.600 56.048 0.071 0.000 1.168 768 H CB 0.522 30.331 29.762 0.078 0.000 1.935 768 H HN -0.068 nan 8.280 nan 0.000 0.538 769 D N 1.435 121.872 120.400 0.062 0.000 2.393 769 D HA 0.103 4.735 4.640 -0.013 0.000 0.232 769 D C 0.924 177.152 176.300 -0.121 0.000 1.192 769 D CA -0.212 53.786 54.000 -0.002 0.000 0.882 769 D CB 0.648 41.422 40.800 -0.044 0.000 1.038 769 D HN 0.403 nan 8.370 nan 0.000 0.499 770 R N 2.350 122.687 120.500 -0.271 0.000 2.235 770 R HA -0.016 4.317 4.340 -0.013 0.000 0.213 770 R C 0.468 176.187 176.300 -0.969 0.000 1.059 770 R CA 0.733 56.444 56.100 -0.648 0.000 0.997 770 R CB 0.209 29.952 30.300 -0.928 0.000 0.884 770 R HN 0.387 nan 8.270 nan 0.000 0.462 771 F N 1.567 121.470 119.950 -0.079 0.000 2.791 771 F HA 0.204 4.723 4.527 -0.013 0.000 0.308 771 F C -0.059 175.615 175.800 -0.211 0.000 1.138 771 F CA -0.931 57.007 58.000 -0.103 0.000 1.294 771 F CB 0.140 39.138 39.000 -0.003 0.000 0.975 771 F HN -0.200 nan 8.300 nan 0.000 0.512 772 K N -0.699 119.473 120.400 -0.380 0.000 4.489 772 K HA -0.203 4.109 4.320 -0.013 0.000 0.276 772 K C 0.716 177.188 176.600 -0.213 0.000 0.763 772 K CA 0.205 56.106 56.287 -0.643 0.000 0.735 772 K CB -1.678 30.223 32.500 -0.997 0.000 1.902 772 K HN 0.306 nan 8.250 nan 0.000 0.411 773 V N 1.028 120.889 119.914 -0.089 0.000 2.307 773 V HA -0.249 3.863 4.120 -0.013 0.000 0.245 773 V C 2.126 178.349 176.094 0.216 0.000 1.045 773 V CA 1.842 64.171 62.300 0.050 0.000 1.024 773 V CB -0.590 31.259 31.823 0.044 0.000 0.651 773 V HN 0.517 nan 8.190 nan 0.000 0.449 774 F N 1.053 121.008 119.950 0.007 0.000 2.126 774 F HA -0.155 4.364 4.527 -0.013 0.000 0.299 774 F C 2.546 178.169 175.800 -0.295 0.000 1.096 774 F CA 0.976 58.928 58.000 -0.081 0.000 1.255 774 F CB -1.655 37.295 39.000 -0.084 0.000 0.997 774 F HN 0.165 nan 8.300 nan 0.000 0.479 775 A N -0.435 122.233 122.820 -0.253 0.000 2.032 775 A HA -0.208 4.105 4.320 -0.013 0.000 0.221 775 A C 1.657 179.257 177.584 0.027 0.000 1.165 775 A CA 2.192 54.029 52.037 -0.332 0.000 0.645 775 A CB -0.621 18.301 19.000 -0.130 0.000 0.807 775 A HN 0.273 nan 8.150 nan 0.000 0.453 776 D N -3.094 117.378 120.400 0.119 0.000 2.398 776 D HA 0.124 4.757 4.640 -0.013 0.000 0.210 776 D C 1.089 177.569 176.300 0.301 0.000 1.094 776 D CA -0.105 54.037 54.000 0.237 0.000 0.839 776 D CB -0.109 40.841 40.800 0.250 0.000 0.963 776 D HN 0.559 nan 8.370 nan 0.000 0.506 777 Y N 2.088 122.485 120.300 0.160 0.000 2.070 777 Y HA -0.204 4.339 4.550 -0.012 0.000 0.280 777 Y C 2.068 178.062 175.900 0.157 0.000 1.148 777 Y CA 1.874 60.078 58.100 0.173 0.000 1.125 777 Y CB 0.103 38.636 38.460 0.122 0.000 0.975 777 Y HN -0.115 nan 8.280 nan 0.000 0.492 778 E N 0.025 120.320 120.200 0.159 0.000 2.049 778 E HA -0.295 4.047 4.350 -0.013 0.000 0.198 778 E C 2.197 178.780 176.600 -0.029 0.000 1.007 778 E CA 1.787 58.203 56.400 0.027 0.000 0.809 778 E CB -0.276 29.532 29.700 0.180 0.000 0.749 778 E HN 0.621 nan 8.360 nan 0.000 0.450 779 E N -0.511 119.748 120.200 0.098 0.000 2.268 779 E HA -0.186 4.157 4.350 -0.013 0.000 0.195 779 E C 1.784 178.399 176.600 0.025 0.000 0.995 779 E CA 0.462 56.939 56.400 0.128 0.000 0.836 779 E CB 0.001 29.861 29.700 0.267 0.000 0.763 779 E HN 0.245 nan 8.360 nan 0.000 0.491 780 Y N 0.501 120.628 120.300 -0.289 0.000 2.153 780 Y HA -0.172 4.370 4.550 -0.013 0.000 0.289 780 Y C 2.174 177.687 175.900 -0.645 0.000 1.127 780 Y CA 1.462 59.081 58.100 -0.802 0.000 1.131 780 Y CB -0.617 37.431 38.460 -0.686 0.000 0.995 780 Y HN -0.033 nan 8.280 nan 0.000 0.505 781 V N -0.457 119.068 119.914 -0.649 0.000 2.515 781 V HA -0.138 3.974 4.120 -0.013 0.000 0.250 781 V C 2.165 178.026 176.094 -0.388 0.000 1.058 781 V CA 2.152 64.096 62.300 -0.593 0.000 1.064 781 V CB -0.605 30.956 31.823 -0.438 0.000 0.675 781 V HN 0.205 nan 8.190 nan 0.000 0.461 782 K N 0.059 120.294 120.400 -0.275 0.000 2.026 782 K HA -0.099 4.214 4.320 -0.013 0.000 0.208 782 K C 2.283 178.789 176.600 -0.155 0.000 1.048 782 K CA 2.015 58.211 56.287 -0.151 0.000 0.929 782 K CB -1.332 31.129 32.500 -0.066 0.000 0.713 782 K HN 0.654 nan 8.250 nan 0.000 0.439 783 C N 0.917 120.100 119.300 -0.195 0.000 2.422 783 C HA -0.074 4.378 4.460 -0.013 0.000 0.279 783 C C 2.400 177.209 174.990 -0.302 0.000 1.305 783 C CA 0.693 59.622 59.018 -0.148 0.000 1.757 783 C CB -0.702 26.979 27.740 -0.099 0.000 1.962 783 C HN 0.447 nan 8.230 nan 0.000 0.499 784 Q N 0.305 119.790 119.800 -0.526 0.000 2.167 784 Q HA -0.150 4.182 4.340 -0.013 0.000 0.202 784 Q C 1.972 177.775 176.000 -0.329 0.000 0.970 784 Q CA 1.456 56.907 55.803 -0.588 0.000 0.855 784 Q CB -0.322 27.841 28.738 -0.957 0.000 0.911 784 Q HN 0.755 nan 8.270 nan 0.000 0.438 785 E N 0.208 120.273 120.200 -0.224 0.000 2.106 785 E HA -0.122 4.220 4.350 -0.013 0.000 0.192 785 E C 2.049 178.612 176.600 -0.063 0.000 0.984 785 E CA 0.550 56.880 56.400 -0.116 0.000 0.806 785 E CB 0.084 29.735 29.700 -0.082 0.000 0.750 785 E HN 0.236 nan 8.360 nan 0.000 0.458 786 R N 0.380 120.852 120.500 -0.047 0.000 2.115 786 R HA -0.101 4.232 4.340 -0.013 0.000 0.230 786 R C 2.658 179.008 176.300 0.084 0.000 1.111 786 R CA 1.412 57.559 56.100 0.078 0.000 0.976 786 R CB -0.509 29.905 30.300 0.191 0.000 0.870 786 R HN 0.224 nan 8.270 nan 0.000 0.445 787 V N -1.522 118.247 119.914 -0.243 0.000 2.548 787 V HA -0.100 4.012 4.120 -0.013 0.000 0.249 787 V C 1.980 178.113 176.094 0.064 0.000 1.055 787 V CA 1.767 63.861 62.300 -0.343 0.000 1.065 787 V CB -0.076 31.259 31.823 -0.815 0.000 0.681 787 V HN 0.065 nan 8.190 nan 0.000 0.462 788 S N 0.923 116.595 115.700 -0.046 0.000 2.368 788 S HA -0.033 4.430 4.470 -0.013 0.000 0.225 788 S C 2.292 176.948 174.600 0.094 0.000 1.030 788 S CA 1.672 59.863 58.200 -0.016 0.000 0.999 788 S CB -0.659 62.500 63.200 -0.068 0.000 0.844 788 S HN 0.965 nan 8.310 nan 0.000 0.459 789 A N 1.530 124.413 122.820 0.105 0.000 1.865 789 A HA -0.056 4.256 4.320 -0.013 0.000 0.217 789 A C 2.093 179.795 177.584 0.197 0.000 1.191 789 A CA 1.264 53.381 52.037 0.134 0.000 0.623 789 A CB -0.876 18.196 19.000 0.120 0.000 0.826 789 A HN 0.467 nan 8.150 nan 0.000 0.444 790 L N -1.938 119.469 121.223 0.308 0.000 2.191 790 L HA -0.163 4.170 4.340 -0.013 0.000 0.212 790 L C 2.414 179.588 176.870 0.506 0.000 1.103 790 L CA 1.713 56.816 54.840 0.439 0.000 0.769 790 L CB -0.390 42.040 42.059 0.618 0.000 0.908 790 L HN 0.633 nan 8.230 nan 0.000 0.438 791 Y N 0.729 121.131 120.300 0.169 0.000 2.352 791 Y HA -0.228 4.316 4.550 -0.011 0.000 0.292 791 Y C 2.408 178.215 175.900 -0.154 0.000 1.136 791 Y CA 1.438 59.334 58.100 -0.340 0.000 1.227 791 Y CB -0.003 38.040 38.460 -0.695 0.000 0.991 791 Y HN 0.027 nan 8.280 nan 0.000 0.545 792 K N 0.055 120.470 120.400 0.025 0.000 2.442 792 K HA -0.113 4.200 4.320 -0.013 0.000 0.198 792 K C 0.330 176.909 176.600 -0.035 0.000 1.042 792 K CA 0.639 56.934 56.287 0.013 0.000 0.958 792 K CB -0.064 32.495 32.500 0.098 0.000 0.766 792 K HN 0.042 nan 8.250 nan 0.000 0.474 793 N N 0.338 119.033 118.700 -0.007 0.000 2.976 793 N HA 0.140 4.873 4.740 -0.013 0.000 0.255 793 N C -2.440 173.074 175.510 0.006 0.000 1.312 793 N CA -2.225 50.833 53.050 0.013 0.000 0.897 793 N CB 1.035 39.565 38.487 0.072 0.000 1.184 793 N HN -0.179 nan 8.380 nan 0.000 0.497 794 P HA -0.226 nan 4.420 nan 0.000 0.220 794 P C 1.357 178.669 177.300 0.019 0.000 1.155 794 P CA 1.312 64.343 63.100 -0.115 0.000 0.880 794 P CB 0.342 31.948 31.700 -0.156 0.000 0.790 795 R N -0.376 120.135 120.500 0.019 0.000 2.092 795 R HA -0.136 4.196 4.340 -0.013 0.000 0.231 795 R C 1.890 178.231 176.300 0.068 0.000 1.119 795 R CA 1.265 57.388 56.100 0.038 0.000 0.970 795 R CB -0.216 30.097 30.300 0.023 0.000 0.864 795 R HN 0.105 nan 8.270 nan 0.000 0.440 796 E N -0.303 119.950 120.200 0.088 0.000 2.170 796 E HA -0.178 4.165 4.350 -0.013 0.000 0.191 796 E C 1.526 178.201 176.600 0.125 0.000 0.981 796 E CA 0.439 56.893 56.400 0.091 0.000 0.830 796 E CB -0.357 29.395 29.700 0.087 0.000 0.775 796 E HN 0.475 nan 8.360 nan 0.000 0.470 797 W N 2.192 123.490 121.300 -0.003 0.000 2.354 797 W HA -0.178 4.474 4.660 -0.014 0.000 0.315 797 W C 1.546 178.073 176.519 0.014 0.000 1.206 797 W CA 2.078 59.437 57.345 0.022 0.000 1.290 797 W CB -0.354 29.090 29.460 -0.027 0.000 1.152 797 W HN 0.028 nan 8.180 nan 0.000 0.489 798 T N 1.072 115.764 114.554 0.230 0.000 2.833 798 T HA -0.168 4.174 4.350 -0.013 0.000 0.269 798 T C 1.825 176.542 174.700 0.029 0.000 1.054 798 T CA 1.492 63.661 62.100 0.114 0.000 1.135 798 T CB -0.266 68.651 68.868 0.081 0.000 0.869 798 T HN 0.184 nan 8.240 nan 0.000 0.466 799 R N 0.225 120.743 120.500 0.030 0.000 2.090 799 R HA 0.198 4.530 4.340 -0.013 0.000 0.228 799 R C 2.466 178.755 176.300 -0.017 0.000 1.110 799 R CA 0.878 56.992 56.100 0.024 0.000 0.973 799 R CB -0.262 30.057 30.300 0.032 0.000 0.869 799 R HN 0.355 nan 8.270 nan 0.000 0.440 800 M N 0.464 120.016 119.600 -0.080 0.000 2.254 800 M HA -0.114 4.359 4.480 -0.013 0.000 0.265 800 M C 1.864 178.074 176.300 -0.150 0.000 1.066 800 M CA 1.206 56.420 55.300 -0.143 0.000 1.123 800 M CB 0.248 32.696 32.600 -0.253 0.000 1.388 800 M HN -0.028 nan 8.290 nan 0.000 0.425 801 V N 0.903 120.717 119.914 -0.167 0.000 2.261 801 V HA -0.310 3.803 4.120 -0.013 0.000 0.246 801 V C 2.172 178.252 176.094 -0.024 0.000 1.047 801 V CA 2.040 64.272 62.300 -0.113 0.000 1.015 801 V CB -0.554 31.233 31.823 -0.061 0.000 0.642 801 V HN 0.495 nan 8.190 nan 0.000 0.446 802 I N -0.546 120.030 120.570 0.010 0.000 2.399 802 I HA -0.286 3.877 4.170 -0.013 0.000 0.254 802 I C 2.631 178.794 176.117 0.077 0.000 1.146 802 I CA 1.427 62.775 61.300 0.080 0.000 1.412 802 I CB -0.302 37.788 38.000 0.150 0.000 1.076 802 I HN 0.187 nan 8.210 nan 0.000 0.432 803 R N 0.699 121.221 120.500 0.036 0.000 2.115 803 R HA -0.038 4.294 4.340 -0.013 0.000 0.226 803 R C 2.028 178.359 176.300 0.052 0.000 1.100 803 R CA 1.049 57.170 56.100 0.035 0.000 0.980 803 R CB -0.182 30.121 30.300 0.005 0.000 0.875 803 R HN 0.416 nan 8.270 nan 0.000 0.445 804 N N -0.173 118.553 118.700 0.044 0.000 2.148 804 N HA -0.075 4.657 4.740 -0.013 0.000 0.186 804 N C 1.790 177.361 175.510 0.101 0.000 1.031 804 N CA 1.400 54.500 53.050 0.083 0.000 0.848 804 N CB -0.018 38.492 38.487 0.037 0.000 1.005 804 N HN 0.129 nan 8.380 nan 0.000 0.427 805 I N 1.807 122.423 120.570 0.078 0.000 2.118 805 I HA -0.268 3.895 4.170 -0.013 0.000 0.241 805 I C 2.392 178.559 176.117 0.083 0.000 1.070 805 I CA 1.158 62.508 61.300 0.083 0.000 1.327 805 I CB -0.358 37.684 38.000 0.070 0.000 1.034 805 I HN 0.093 nan 8.210 nan 0.000 0.405 806 A N -1.163 121.705 122.820 0.080 0.000 2.125 806 A HA -0.182 4.130 4.320 -0.013 0.000 0.219 806 A C 2.180 179.798 177.584 0.057 0.000 1.156 806 A CA 2.103 54.178 52.037 0.063 0.000 0.671 806 A CB -0.583 18.460 19.000 0.072 0.000 0.794 806 A HN 0.412 nan 8.150 nan 0.000 0.459 807 T N -1.112 113.490 114.554 0.080 0.000 3.132 807 T HA 0.141 4.484 4.350 -0.013 0.000 0.274 807 T C 1.460 176.237 174.700 0.128 0.000 1.011 807 T CA 0.687 62.836 62.100 0.081 0.000 0.899 807 T CB -0.373 68.544 68.868 0.081 0.000 1.089 807 T HN 0.609 nan 8.240 nan 0.000 0.543 808 S N -0.891 114.907 115.700 0.163 0.000 2.558 808 S HA 0.189 4.651 4.470 -0.013 0.000 0.217 808 S C 2.315 177.020 174.600 0.175 0.000 0.975 808 S CA 0.546 58.914 58.200 0.281 0.000 0.912 808 S CB -0.311 63.048 63.200 0.265 0.000 0.776 808 S HN 0.425 nan 8.310 nan 0.000 0.526 809 G N 2.899 111.740 108.800 0.068 0.000 2.545 809 G HA2 -0.350 3.602 3.960 -0.013 0.000 0.222 809 G HA3 -0.350 3.602 3.960 -0.013 0.000 0.222 809 G C 1.342 176.197 174.900 -0.074 0.000 1.126 809 G CA 1.215 46.327 45.100 0.021 0.000 0.754 809 G HN 0.585 nan 8.290 nan 0.000 0.583 810 K N -0.210 120.034 120.400 -0.260 0.000 2.281 810 K HA -0.063 4.250 4.320 -0.013 0.000 0.203 810 K C 1.123 177.421 176.600 -0.503 0.000 1.046 810 K CA 0.693 56.701 56.287 -0.466 0.000 0.938 810 K CB -0.242 31.811 32.500 -0.746 0.000 0.737 810 K HN 0.368 nan 8.250 nan 0.000 0.458 811 F N 1.071 121.050 119.950 0.049 0.000 2.676 811 F HA 0.134 4.653 4.527 -0.013 0.000 0.300 811 F C 0.845 176.690 175.800 0.075 0.000 1.160 811 F CA -0.259 57.777 58.000 0.059 0.000 1.401 811 F CB -0.038 38.995 39.000 0.054 0.000 1.037 811 F HN -0.140 nan 8.300 nan 0.000 0.522 812 S N -0.168 115.622 115.700 0.150 0.000 2.562 812 S HA 0.178 4.641 4.470 -0.013 0.000 0.275 812 S C 1.369 176.054 174.600 0.143 0.000 1.281 812 S CA -0.235 58.050 58.200 0.141 0.000 1.045 812 S CB 0.979 64.232 63.200 0.088 0.000 0.962 812 S HN 0.279 nan 8.310 nan 0.000 0.503 813 S N 3.071 118.878 115.700 0.177 0.000 2.507 813 S HA -0.073 4.389 4.470 -0.013 0.000 0.235 813 S C 0.879 175.533 174.600 0.089 0.000 0.988 813 S CA 0.676 58.996 58.200 0.201 0.000 0.944 813 S CB -0.370 63.013 63.200 0.306 0.000 0.762 813 S HN 0.792 nan 8.310 nan 0.000 0.526 814 D N 1.683 122.121 120.400 0.064 0.000 2.144 814 D HA -0.043 4.589 4.640 -0.013 0.000 0.200 814 D C 2.083 178.389 176.300 0.010 0.000 0.978 814 D CA 0.644 54.660 54.000 0.028 0.000 0.833 814 D CB -0.256 40.558 40.800 0.024 0.000 0.961 814 D HN 0.290 nan 8.370 nan 0.000 0.470 815 R N 0.711 121.220 120.500 0.015 0.000 2.062 815 R HA -0.069 4.263 4.340 -0.013 0.000 0.229 815 R C 1.852 178.143 176.300 -0.015 0.000 1.128 815 R CA 1.290 57.384 56.100 -0.010 0.000 0.960 815 R CB -0.600 29.684 30.300 -0.026 0.000 0.855 815 R HN 0.104 nan 8.270 nan 0.000 0.432 816 T N 2.182 116.749 114.554 0.022 0.000 2.684 816 T HA -0.122 4.221 4.350 -0.013 0.000 0.267 816 T C 1.927 176.632 174.700 0.009 0.000 1.036 816 T CA 1.314 63.440 62.100 0.044 0.000 1.148 816 T CB -0.117 68.857 68.868 0.176 0.000 0.863 816 T HN 0.095 nan 8.240 nan 0.000 0.436 817 I N 1.788 122.302 120.570 -0.094 0.000 2.252 817 I HA -0.067 4.095 4.170 -0.013 0.000 0.245 817 I C 2.943 179.030 176.117 -0.051 0.000 1.102 817 I CA 0.895 62.112 61.300 -0.138 0.000 1.385 817 I CB -1.696 36.224 38.000 -0.133 0.000 1.064 817 I HN 0.198 nan 8.210 nan 0.000 0.414 818 A N -0.005 122.796 122.820 -0.032 0.000 1.978 818 A HA -0.243 4.070 4.320 -0.013 0.000 0.220 818 A C 2.268 179.812 177.584 -0.067 0.000 1.170 818 A CA 1.507 53.530 52.037 -0.024 0.000 0.636 818 A CB -0.560 18.429 19.000 -0.018 0.000 0.810 818 A HN 0.515 nan 8.150 nan 0.000 0.448 819 Q N -2.082 117.652 119.800 -0.110 0.000 2.083 819 Q HA -0.128 4.205 4.340 -0.013 0.000 0.198 819 Q C 1.881 177.700 176.000 -0.302 0.000 0.969 819 Q CA 1.424 57.116 55.803 -0.185 0.000 0.838 819 Q CB -0.223 28.385 28.738 -0.216 0.000 0.900 819 Q HN 0.820 nan 8.270 nan 0.000 0.436 820 Y N 0.457 120.476 120.300 -0.468 0.000 2.145 820 Y HA -0.274 4.268 4.550 -0.013 0.000 0.286 820 Y C 2.423 177.794 175.900 -0.882 0.000 1.145 820 Y CA 1.287 58.863 58.100 -0.875 0.000 1.148 820 Y CB -0.539 37.077 38.460 -1.407 0.000 0.981 820 Y HN 0.152 nan 8.280 nan 0.000 0.507 821 A N 0.517 123.136 122.820 -0.335 0.000 1.869 821 A HA -0.283 4.030 4.320 -0.013 0.000 0.218 821 A C 2.278 179.883 177.584 0.035 0.000 1.203 821 A CA 2.446 54.524 52.037 0.068 0.000 0.638 821 A CB -0.684 18.408 19.000 0.153 0.000 0.831 821 A HN 0.457 nan 8.150 nan 0.000 0.450 822 R N -0.693 119.787 120.500 -0.033 0.000 2.062 822 R HA -0.049 4.283 4.340 -0.013 0.000 0.229 822 R C 1.975 178.253 176.300 -0.037 0.000 1.128 822 R CA 1.492 57.581 56.100 -0.019 0.000 0.960 822 R CB -0.328 29.954 30.300 -0.030 0.000 0.855 822 R HN 0.677 nan 8.270 nan 0.000 0.432 823 E N -0.141 119.998 120.200 -0.102 0.000 2.442 823 E HA 0.046 4.388 4.350 -0.013 0.000 0.195 823 E C 1.484 178.037 176.600 -0.078 0.000 1.030 823 E CA 0.589 56.932 56.400 -0.094 0.000 0.869 823 E CB 0.400 30.016 29.700 -0.139 0.000 0.857 823 E HN 0.376 nan 8.360 nan 0.000 0.505 824 I N -1.545 118.949 120.570 -0.126 0.000 4.046 824 I HA 0.030 4.192 4.170 -0.013 0.000 0.285 824 I C 1.325 177.568 176.117 0.210 0.000 1.183 824 I CA -0.098 61.185 61.300 -0.027 0.000 1.337 824 I CB 0.124 37.972 38.000 -0.253 0.000 1.478 824 I HN 0.105 nan 8.210 nan 0.000 0.452 825 W N 1.787 123.180 121.300 0.155 0.000 2.576 825 W HA 0.299 4.952 4.660 -0.013 0.000 0.270 825 W C 1.560 178.113 176.519 0.056 0.000 1.255 825 W CA 0.950 58.363 57.345 0.114 0.000 1.314 825 W CB -1.005 28.509 29.460 0.090 0.000 1.101 825 W HN 0.336 nan 8.180 nan 0.000 0.595 826 G N 0.974 109.910 108.800 0.226 0.000 2.225 826 G HA2 -0.105 3.848 3.960 -0.013 0.000 0.264 826 G HA3 -0.105 3.848 3.960 -0.013 0.000 0.264 826 G C -0.301 174.672 174.900 0.120 0.000 1.060 826 G CA 0.208 45.385 45.100 0.128 0.000 0.833 826 G HN 0.416 nan 8.290 nan 0.000 0.498 827 V N -4.379 115.626 119.914 0.151 0.000 3.040 827 V HA 0.930 5.042 4.120 -0.013 0.000 0.312 827 V C -0.422 175.730 176.094 0.096 0.000 1.115 827 V CA -1.652 60.717 62.300 0.116 0.000 0.998 827 V CB 2.367 34.270 31.823 0.132 0.000 1.042 827 V HN 0.117 nan 8.190 nan 0.000 0.433 828 E N 3.514 123.754 120.200 0.067 0.000 2.133 828 E HA 0.521 4.863 4.350 -0.013 0.000 0.274 828 E C -2.510 174.122 176.600 0.054 0.000 0.930 828 E CA -1.764 54.668 56.400 0.053 0.000 0.770 828 E CB 1.854 31.578 29.700 0.040 0.000 1.104 828 E HN 0.754 nan 8.360 nan 0.000 0.403 829 P HA 0.055 nan 4.420 nan 0.000 0.271 829 P C -0.470 176.854 177.300 0.041 0.000 1.233 829 P CA -0.229 62.901 63.100 0.050 0.000 0.789 829 P CB 0.775 32.501 31.700 0.043 0.000 0.951 830 S N 0.649 116.374 115.700 0.041 0.000 2.566 830 S HA 0.321 4.784 4.470 -0.013 0.000 0.273 830 S C -0.080 174.540 174.600 0.034 0.000 1.157 830 S CA -0.880 57.342 58.200 0.037 0.000 0.938 830 S CB 1.102 64.328 63.200 0.043 0.000 1.087 830 S HN 0.305 nan 8.310 nan 0.000 0.474 831 R N 2.786 123.304 120.500 0.029 0.000 2.978 831 R HA 0.216 4.548 4.340 -0.013 0.000 0.298 831 R C -0.214 176.097 176.300 0.018 0.000 1.296 831 R CA -0.104 56.012 56.100 0.027 0.000 1.181 831 R CB 0.204 30.521 30.300 0.030 0.000 1.348 831 R HN 0.655 nan 8.270 nan 0.000 0.585 832 Q N 0.988 120.797 119.800 0.015 0.000 2.274 832 Q HA 0.204 4.536 4.340 -0.013 0.000 0.256 832 Q C -0.395 175.598 176.000 -0.013 0.000 0.927 832 Q CA -0.474 55.332 55.803 0.005 0.000 0.939 832 Q CB 1.386 30.132 28.738 0.013 0.000 1.201 832 Q HN -0.091 nan 8.270 nan 0.000 0.426 833 R N 1.752 122.239 120.500 -0.022 0.000 2.484 833 R HA 0.041 4.373 4.340 -0.013 0.000 0.293 833 R C -0.524 175.742 176.300 -0.056 0.000 1.023 833 R CA -0.143 55.932 56.100 -0.041 0.000 1.037 833 R CB 0.099 30.375 30.300 -0.041 0.000 0.951 833 R HN 0.415 nan 8.270 nan 0.000 0.418 834 L N 6.640 127.813 121.223 -0.082 0.000 2.461 834 L HA 0.199 4.532 4.340 -0.013 0.000 0.272 834 L C -1.670 175.146 176.870 -0.090 0.000 1.197 834 L CA -1.835 52.926 54.840 -0.131 0.000 0.836 834 L CB 0.495 42.450 42.059 -0.174 0.000 1.105 834 L HN 0.612 nan 8.230 nan 0.000 0.477 835 P HA 0.026 nan 4.420 nan 0.000 0.208 835 P C 0.009 177.290 177.300 -0.031 0.000 1.341 835 P CA 0.674 63.750 63.100 -0.040 0.000 1.235 835 P CB -0.675 31.014 31.700 -0.019 0.000 1.764 836 A N 4.680 127.481 122.820 -0.031 0.000 6.759 836 A HA -0.175 4.138 4.320 -0.013 0.000 0.308 836 A C -1.370 176.206 177.584 -0.014 0.000 2.086 836 A CA 0.464 52.489 52.037 -0.020 0.000 1.123 836 A CB -1.883 17.111 19.000 -0.009 0.000 1.078 836 A HN 0.373 nan 8.150 nan 0.000 0.457 837 P HA 0.176 nan 4.420 nan 0.000 0.252 837 P C 0.105 177.415 177.300 0.017 0.000 1.211 837 P CA 0.564 63.672 63.100 0.014 0.000 0.824 837 P CB -0.360 31.359 31.700 0.031 0.000 1.077 838 D N 1.869 122.278 120.400 0.014 0.000 5.561 838 D HA -0.190 4.443 4.640 -0.013 0.000 0.166 838 D C 1.457 177.765 176.300 0.013 0.000 1.127 838 D CA 0.777 54.786 54.000 0.014 0.000 0.720 838 D CB 0.172 40.978 40.800 0.010 0.000 1.322 838 D HN 0.091 nan 8.370 nan 0.000 0.745 839 E N 2.943 123.150 120.200 0.012 0.000 2.965 839 E HA -0.447 3.895 4.350 -0.013 0.000 0.215 839 E C 0.151 176.756 176.600 0.007 0.000 0.862 839 E CA 2.759 59.163 56.400 0.007 0.000 1.372 839 E CB -0.259 29.443 29.700 0.004 0.000 1.425 839 E HN 0.892 nan 8.360 nan 0.000 0.458 840 K N -0.556 119.848 120.400 0.006 0.000 7.396 840 K HA -0.163 4.149 4.320 -0.013 0.000 0.647 840 K C -0.614 175.987 176.600 0.002 0.000 2.584 840 K CA 1.249 57.539 56.287 0.006 0.000 1.938 840 K CB -0.654 31.852 32.500 0.010 0.000 1.962 840 K HN 0.333 nan 8.250 nan 0.000 0.295 841 I N 3.401 123.971 120.570 0.000 0.000 2.642 841 I HA 0.302 4.465 4.170 -0.013 0.000 0.273 841 I C -1.958 174.158 176.117 -0.003 0.000 1.208 841 I CA -1.612 59.686 61.300 -0.004 0.000 1.037 841 I CB 0.398 38.393 38.000 -0.008 0.000 1.253 841 I HN 0.935 nan 8.210 nan 0.000 0.504 842 P HA 0.000 nan 4.420 nan 0.000 0.216 842 P CA 0.000 63.101 63.100 0.002 0.000 0.800 842 P CB 0.000 31.705 31.700 0.008 0.000 0.726