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 1wv0_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 SSXXXXXXXX XTNFDAFPDK 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 RLPAP 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 0.410 116.104 115.700 -0.010 0.000 2.700 14 S HA 0.079 4.541 4.470 -0.012 0.000 0.250 14 S C 0.385 174.988 174.600 0.005 0.000 1.355 14 S CA -0.255 57.947 58.200 0.003 0.000 0.970 14 S CB 0.440 63.646 63.200 0.010 0.000 0.975 14 S HN 0.615 nan 8.310 nan 0.000 0.563 15 V N 2.081 122.005 119.914 0.017 0.000 2.847 15 V HA 0.196 4.309 4.120 -0.012 0.000 0.364 15 V C 0.638 176.742 176.094 0.017 0.000 1.374 15 V CA -0.229 62.083 62.300 0.019 0.000 1.542 15 V CB -1.196 30.648 31.823 0.035 0.000 1.471 15 V HN 0.550 nan 8.190 nan 0.000 0.557 16 R N 1.833 122.335 120.500 0.004 0.000 2.480 16 R HA 0.456 4.789 4.340 -0.012 0.000 0.277 16 R C 0.850 177.141 176.300 -0.015 0.000 1.008 16 R CA 0.526 56.625 56.100 -0.001 0.000 1.090 16 R CB 0.326 30.622 30.300 -0.007 0.000 1.234 16 R HN 0.656 nan 8.270 nan 0.000 0.549 17 G N 0.705 109.496 108.800 -0.016 0.000 2.592 17 G HA2 -0.179 3.774 3.960 -0.012 0.000 0.684 17 G HA3 -0.179 3.774 3.960 -0.012 0.000 0.684 17 G C -1.262 173.622 174.900 -0.027 0.000 1.291 17 G CA -1.092 43.991 45.100 -0.029 0.000 0.891 17 G HN 0.006 nan 8.290 nan 0.000 0.544 18 L N 0.536 121.741 121.223 -0.031 0.000 2.357 18 L HA 0.739 5.072 4.340 -0.012 0.000 0.273 18 L C 1.269 178.123 176.870 -0.027 0.000 1.080 18 L CA 0.050 54.875 54.840 -0.025 0.000 0.803 18 L CB 1.254 43.299 42.059 -0.023 0.000 1.174 18 L HN 1.547 nan 8.230 nan 0.000 0.443 19 A N 2.523 125.329 122.820 -0.022 0.000 3.173 19 A HA 0.563 4.875 4.320 -0.012 0.000 0.304 19 A C 0.788 178.365 177.584 -0.011 0.000 1.318 19 A CA -0.292 51.733 52.037 -0.020 0.000 1.069 19 A CB -0.742 18.245 19.000 -0.023 0.000 1.147 19 A HN 0.781 nan 8.150 nan 0.000 0.547 20 G N -0.233 108.561 108.800 -0.010 0.000 2.474 20 G HA2 0.285 4.237 3.960 -0.012 0.000 0.233 20 G HA3 0.285 4.237 3.960 -0.012 0.000 0.233 20 G C 1.027 175.930 174.900 0.005 0.000 1.278 20 G CA 0.087 45.185 45.100 -0.002 0.000 0.861 20 G HN 0.433 nan 8.290 nan 0.000 0.567 21 V N 2.108 122.026 119.914 0.008 0.000 2.255 21 V HA -0.178 3.934 4.120 -0.012 0.000 0.247 21 V C 2.692 178.797 176.094 0.019 0.000 1.051 21 V CA 2.433 64.741 62.300 0.012 0.000 1.018 21 V CB -0.700 31.129 31.823 0.011 0.000 0.641 21 V HN 0.783 nan 8.190 nan 0.000 0.445 22 E N 0.288 120.500 120.200 0.019 0.000 2.110 22 E HA -0.180 4.162 4.350 -0.012 0.000 0.193 22 E C 2.046 178.668 176.600 0.037 0.000 0.988 22 E CA 1.491 57.907 56.400 0.027 0.000 0.804 22 E CB -0.286 29.429 29.700 0.025 0.000 0.745 22 E HN 0.649 nan 8.360 nan 0.000 0.458 23 N N -1.229 117.491 118.700 0.033 0.000 2.354 23 N HA -0.074 4.658 4.740 -0.012 0.000 0.179 23 N C 1.303 176.839 175.510 0.044 0.000 1.021 23 N CA 0.415 53.491 53.050 0.044 0.000 0.887 23 N CB 0.351 38.851 38.487 0.022 0.000 0.974 23 N HN -0.040 nan 8.380 nan 0.000 0.437 24 V N -0.255 119.677 119.914 0.030 0.000 2.591 24 V HA -0.129 3.984 4.120 -0.012 0.000 0.249 24 V C 1.907 178.026 176.094 0.042 0.000 1.053 24 V CA 1.505 63.823 62.300 0.030 0.000 1.068 24 V CB -0.438 31.397 31.823 0.020 0.000 0.689 24 V HN 0.370 nan 8.190 nan 0.000 0.462 25 T N -0.321 114.259 114.554 0.043 0.000 2.737 25 T HA -0.189 4.153 4.350 -0.012 0.000 0.265 25 T C 1.901 176.641 174.700 0.067 0.000 1.038 25 T CA 1.724 63.853 62.100 0.047 0.000 1.144 25 T CB -0.134 68.757 68.868 0.038 0.000 0.866 25 T HN 0.485 nan 8.240 nan 0.000 0.434 26 E N 0.800 121.045 120.200 0.075 0.000 2.085 26 E HA -0.112 4.231 4.350 -0.012 0.000 0.194 26 E C 1.939 178.621 176.600 0.138 0.000 0.994 26 E CA 0.844 57.302 56.400 0.097 0.000 0.801 26 E CB -0.490 29.273 29.700 0.105 0.000 0.743 26 E HN 0.150 nan 8.360 nan 0.000 0.453 27 L N 0.839 122.150 121.223 0.146 0.000 2.046 27 L HA -0.129 4.204 4.340 -0.012 0.000 0.208 27 L C 2.132 179.119 176.870 0.194 0.000 1.077 27 L CA 1.826 56.778 54.840 0.187 0.000 0.747 27 L CB -0.788 41.347 42.059 0.126 0.000 0.896 27 L HN 0.100 nan 8.230 nan 0.000 0.432 28 K N -0.156 120.323 120.400 0.131 0.000 2.026 28 K HA -0.203 4.110 4.320 -0.012 0.000 0.208 28 K C 1.953 178.675 176.600 0.204 0.000 1.048 28 K CA 1.777 58.144 56.287 0.134 0.000 0.929 28 K CB -0.093 32.444 32.500 0.062 0.000 0.713 28 K HN 0.411 nan 8.250 nan 0.000 0.439 29 K N 0.198 120.689 120.400 0.152 0.000 2.211 29 K HA -0.032 4.281 4.320 -0.012 0.000 0.203 29 K C 1.577 178.272 176.600 0.158 0.000 1.050 29 K CA 1.219 57.588 56.287 0.136 0.000 0.945 29 K CB -0.075 32.477 32.500 0.086 0.000 0.732 29 K HN 0.038 nan 8.250 nan 0.000 0.451 30 N N 0.399 119.212 118.700 0.189 0.000 2.354 30 N HA -0.063 4.670 4.740 -0.012 0.000 0.179 30 N C 1.458 177.157 175.510 0.315 0.000 1.021 30 N CA 0.725 53.894 53.050 0.197 0.000 0.887 30 N CB -0.090 38.526 38.487 0.216 0.000 0.974 30 N HN 0.200 nan 8.380 nan 0.000 0.437 31 F N 2.435 122.502 119.950 0.194 0.000 2.146 31 F HA -0.013 4.507 4.527 -0.012 0.000 0.298 31 F C 1.946 177.869 175.800 0.204 0.000 1.096 31 F CA 1.153 59.279 58.000 0.210 0.000 1.275 31 F CB -0.129 38.962 39.000 0.153 0.000 1.008 31 F HN -0.066 nan 8.300 nan 0.000 0.480 32 N N 0.467 119.359 118.700 0.321 0.000 2.216 32 N HA -0.137 4.596 4.740 -0.012 0.000 0.183 32 N C 2.093 177.675 175.510 0.119 0.000 1.017 32 N CA 0.652 53.818 53.050 0.193 0.000 0.861 32 N CB -0.476 38.132 38.487 0.201 0.000 0.986 32 N HN 0.292 nan 8.380 nan 0.000 0.428 33 R N 0.754 121.329 120.500 0.126 0.000 2.082 33 R HA -0.123 4.210 4.340 -0.012 0.000 0.234 33 R C 1.752 178.126 176.300 0.123 0.000 1.136 33 R CA 1.582 57.770 56.100 0.147 0.000 0.935 33 R CB -0.567 29.722 30.300 -0.017 0.000 0.842 33 R HN 0.440 nan 8.270 nan 0.000 0.430 34 H N -0.275 118.837 119.070 0.070 0.000 2.387 34 H HA -0.132 4.417 4.556 -0.012 0.000 0.299 34 H C 1.817 177.084 175.328 -0.101 0.000 1.090 34 H CA 1.424 57.453 56.048 -0.031 0.000 1.332 34 H CB 0.003 29.718 29.762 -0.079 0.000 1.386 34 H HN 0.093 nan 8.280 nan 0.000 0.516 35 L N -0.200 120.997 121.223 -0.042 0.000 2.131 35 L HA -0.157 4.176 4.340 -0.012 0.000 0.210 35 L C 2.135 178.977 176.870 -0.046 0.000 1.092 35 L CA 1.768 56.542 54.840 -0.110 0.000 0.759 35 L CB -0.359 41.612 42.059 -0.147 0.000 0.903 35 L HN 0.291 nan 8.230 nan 0.000 0.435 36 H N -1.722 117.275 119.070 -0.122 0.000 2.273 36 H HA -0.029 4.520 4.556 -0.012 0.000 0.311 36 H C 1.814 176.957 175.328 -0.309 0.000 1.057 36 H CA 2.132 58.030 56.048 -0.251 0.000 1.360 36 H CB -0.309 29.236 29.762 -0.362 0.000 1.414 36 H HN 0.260 nan 8.280 nan 0.000 0.516 37 F N -0.152 119.778 119.950 -0.032 0.000 2.206 37 F HA -0.068 4.452 4.527 -0.012 0.000 0.298 37 F C 2.554 178.267 175.800 -0.146 0.000 1.090 37 F CA 1.534 59.467 58.000 -0.113 0.000 1.323 37 F CB -0.359 38.599 39.000 -0.069 0.000 1.028 37 F HN 0.207 nan 8.300 nan 0.000 0.492 38 T N -0.509 114.066 114.554 0.035 0.000 2.901 38 T HA 0.033 4.376 4.350 -0.012 0.000 0.252 38 T C 1.625 176.236 174.700 -0.149 0.000 1.035 38 T CA 0.638 62.690 62.100 -0.080 0.000 1.142 38 T CB -0.115 68.678 68.868 -0.126 0.000 0.869 38 T HN -0.063 nan 8.240 nan 0.000 0.442 39 L N 1.211 122.350 121.223 -0.141 0.000 2.567 39 L HA 0.293 4.626 4.340 -0.012 0.000 0.225 39 L C 0.903 177.676 176.870 -0.163 0.000 1.119 39 L CA 0.209 54.954 54.840 -0.159 0.000 0.871 39 L CB -0.854 41.121 42.059 -0.140 0.000 1.036 39 L HN 0.065 nan 8.230 nan 0.000 0.459 40 V N -0.675 119.123 119.914 -0.193 0.000 4.935 40 V HA -0.320 3.793 4.120 -0.012 0.000 0.273 40 V C 0.860 176.824 176.094 -0.217 0.000 0.517 40 V CA 1.030 63.178 62.300 -0.253 0.000 0.745 40 V CB -2.098 29.606 31.823 -0.197 0.000 0.647 40 V HN 0.391 nan 8.190 nan 0.000 1.220 41 K N 0.657 120.946 120.400 -0.184 0.000 2.306 41 K HA 0.642 4.955 4.320 -0.012 0.000 0.236 41 K C -0.295 176.257 176.600 -0.080 0.000 1.013 41 K CA -0.684 55.524 56.287 -0.131 0.000 0.857 41 K CB 2.435 34.856 32.500 -0.132 0.000 1.214 41 K HN 0.426 nan 8.250 nan 0.000 0.449 42 D N 0.773 121.149 120.400 -0.040 0.000 2.619 42 D HA 0.183 4.816 4.640 -0.012 0.000 0.241 42 D C 0.630 176.952 176.300 0.037 0.000 1.087 42 D CA -0.395 53.618 54.000 0.021 0.000 0.851 42 D CB 1.301 42.111 40.800 0.017 0.000 1.474 42 D HN 0.245 nan 8.370 nan 0.000 0.478 43 R N 2.160 122.717 120.500 0.095 0.000 2.198 43 R HA -0.176 4.156 4.340 -0.012 0.000 0.258 43 R C 1.143 177.516 176.300 0.122 0.000 1.173 43 R CA 1.154 57.349 56.100 0.158 0.000 0.991 43 R CB -0.673 29.724 30.300 0.162 0.000 0.879 43 R HN 0.582 nan 8.270 nan 0.000 0.460 44 N N 0.455 119.196 118.700 0.067 0.000 2.494 44 N HA -0.057 4.675 4.740 -0.012 0.000 0.182 44 N C 1.262 176.790 175.510 0.030 0.000 1.076 44 N CA 1.268 54.348 53.050 0.050 0.000 0.908 44 N CB 0.472 38.978 38.487 0.032 0.000 0.967 44 N HN 0.223 nan 8.380 nan 0.000 0.449 45 V N -3.328 116.589 119.914 0.006 0.000 3.337 45 V HA 0.479 4.592 4.120 -0.012 0.000 0.307 45 V C 0.585 176.640 176.094 -0.064 0.000 1.505 45 V CA -0.702 61.586 62.300 -0.019 0.000 1.072 45 V CB -0.140 31.667 31.823 -0.027 0.000 0.929 45 V HN 0.014 nan 8.190 nan 0.000 0.455 46 A N 2.180 124.937 122.820 -0.105 0.000 2.450 46 A HA 0.597 4.910 4.320 -0.012 0.000 0.255 46 A C 0.772 178.170 177.584 -0.309 0.000 1.096 46 A CA 0.789 52.645 52.037 -0.302 0.000 0.778 46 A CB -0.069 18.602 19.000 -0.548 0.000 1.031 46 A HN 0.773 nan 8.150 nan 0.000 0.494 47 T N 0.656 115.047 114.554 -0.272 0.000 2.927 47 T HA 0.524 4.867 4.350 -0.012 0.000 0.281 47 T C -2.082 172.544 174.700 -0.123 0.000 0.998 47 T CA -1.790 60.237 62.100 -0.122 0.000 1.019 47 T CB 1.170 70.006 68.868 -0.053 0.000 1.061 47 T HN 0.283 nan 8.240 nan 0.000 0.518 48 P HA -0.099 nan 4.420 nan 0.000 0.218 48 P C 1.519 178.931 177.300 0.187 0.000 1.146 48 P CA 0.832 64.075 63.100 0.238 0.000 0.813 48 P CB 0.049 31.855 31.700 0.178 0.000 0.778 49 R N 0.069 120.626 120.500 0.095 0.000 2.115 49 R HA -0.105 4.227 4.340 -0.012 0.000 0.230 49 R C 1.702 178.160 176.300 0.264 0.000 1.111 49 R CA 1.630 57.821 56.100 0.153 0.000 0.976 49 R CB -0.907 29.432 30.300 0.065 0.000 0.870 49 R HN 0.076 nan 8.270 nan 0.000 0.445 50 D N -0.536 119.909 120.400 0.075 0.000 2.123 50 D HA -0.156 4.477 4.640 -0.012 0.000 0.200 50 D C 1.553 177.867 176.300 0.024 0.000 0.976 50 D CA 1.224 55.230 54.000 0.009 0.000 0.831 50 D CB -0.248 40.412 40.800 -0.233 0.000 0.974 50 D HN 0.266 nan 8.370 nan 0.000 0.469 51 Y N 0.337 120.735 120.300 0.164 0.000 2.181 51 Y HA -0.226 4.317 4.550 -0.012 0.000 0.288 51 Y C 2.360 178.401 175.900 0.234 0.000 1.146 51 Y CA 0.450 58.695 58.100 0.242 0.000 1.164 51 Y CB -1.146 37.511 38.460 0.329 0.000 0.982 51 Y HN 0.097 nan 8.280 nan 0.000 0.515 52 Y N -0.628 119.817 120.300 0.242 0.000 2.181 52 Y HA -0.263 4.280 4.550 -0.012 0.000 0.288 52 Y C 1.946 177.830 175.900 -0.027 0.000 1.146 52 Y CA 1.190 59.331 58.100 0.068 0.000 1.164 52 Y CB -1.138 37.254 38.460 -0.112 0.000 0.982 52 Y HN 0.063 nan 8.280 nan 0.000 0.515 53 F N 0.147 119.836 119.950 -0.434 0.000 2.186 53 F HA -0.098 4.422 4.527 -0.012 0.000 0.299 53 F C 2.636 178.275 175.800 -0.269 0.000 1.090 53 F CA 1.128 58.833 58.000 -0.492 0.000 1.307 53 F CB -0.662 38.234 39.000 -0.172 0.000 1.019 53 F HN 0.195 nan 8.300 nan 0.000 0.489 54 A N -0.169 122.626 122.820 -0.042 0.000 1.902 54 A HA -0.182 4.131 4.320 -0.012 0.000 0.217 54 A C 2.033 179.572 177.584 -0.076 0.000 1.181 54 A CA 1.532 53.452 52.037 -0.195 0.000 0.623 54 A CB -0.965 17.605 19.000 -0.717 0.000 0.818 54 A HN 0.351 nan 8.150 nan 0.000 0.443 55 L N -0.285 121.008 121.223 0.117 0.000 2.027 55 L HA 0.002 4.335 4.340 -0.012 0.000 0.206 55 L C 2.695 179.583 176.870 0.030 0.000 1.074 55 L CA 2.125 57.125 54.840 0.266 0.000 0.745 55 L CB -0.892 41.366 42.059 0.332 0.000 0.898 55 L HN 0.338 nan 8.230 nan 0.000 0.433 56 A N -1.127 121.549 122.820 -0.241 0.000 1.892 56 A HA -0.309 4.003 4.320 -0.012 0.000 0.218 56 A C 2.163 179.434 177.584 -0.521 0.000 1.188 56 A CA 2.172 53.961 52.037 -0.414 0.000 0.631 56 A CB -1.169 17.284 19.000 -0.911 0.000 0.822 56 A HN 0.686 nan 8.150 nan 0.000 0.447 57 H N -0.809 117.980 119.070 -0.468 0.000 2.387 57 H HA -0.057 4.492 4.556 -0.012 0.000 0.299 57 H C 2.348 177.404 175.328 -0.454 0.000 1.090 57 H CA 1.994 57.689 56.048 -0.589 0.000 1.332 57 H CB -0.136 29.042 29.762 -0.973 0.000 1.386 57 H HN 0.489 nan 8.280 nan 0.000 0.516 58 T N -0.433 114.038 114.554 -0.140 0.000 2.777 58 T HA -0.121 4.222 4.350 -0.012 0.000 0.266 58 T C 2.235 177.096 174.700 0.268 0.000 1.040 58 T CA 1.247 63.447 62.100 0.166 0.000 1.141 58 T CB -0.348 68.705 68.868 0.309 0.000 0.868 58 T HN 0.098 nan 8.240 nan 0.000 0.444 59 V N 1.542 121.595 119.914 0.230 0.000 2.379 59 V HA -0.084 4.029 4.120 -0.012 0.000 0.245 59 V C 2.643 178.930 176.094 0.323 0.000 1.044 59 V CA 1.443 63.930 62.300 0.312 0.000 1.036 59 V CB -0.589 31.415 31.823 0.300 0.000 0.664 59 V HN 0.372 nan 8.190 nan 0.000 0.453 60 R N 0.153 120.795 120.500 0.237 0.000 2.120 60 R HA -0.203 4.130 4.340 -0.012 0.000 0.234 60 R C 1.900 178.307 176.300 0.178 0.000 1.123 60 R CA 1.906 58.148 56.100 0.237 0.000 0.975 60 R CB -0.385 29.901 30.300 -0.023 0.000 0.866 60 R HN 0.444 nan 8.270 nan 0.000 0.446 61 D N -0.006 120.472 120.400 0.130 0.000 2.149 61 D HA -0.167 4.466 4.640 -0.012 0.000 0.198 61 D C 1.728 178.031 176.300 0.005 0.000 0.990 61 D CA 1.102 55.144 54.000 0.070 0.000 0.839 61 D CB -0.325 40.498 40.800 0.039 0.000 0.948 61 D HN 0.424 nan 8.370 nan 0.000 0.460 62 H N -0.189 118.948 119.070 0.113 0.000 2.491 62 H HA -0.017 4.532 4.556 -0.012 0.000 0.290 62 H C 2.042 177.415 175.328 0.075 0.000 1.050 62 H CA 0.765 56.864 56.048 0.084 0.000 1.309 62 H CB 0.267 30.071 29.762 0.070 0.000 1.392 62 H HN 0.286 nan 8.280 nan 0.000 0.554 63 L N -1.073 120.260 121.223 0.184 0.000 2.616 63 L HA 0.141 4.474 4.340 -0.012 0.000 0.229 63 L C 2.182 179.165 176.870 0.188 0.000 1.110 63 L CA 0.116 55.035 54.840 0.133 0.000 0.884 63 L CB -0.279 41.812 42.059 0.055 0.000 1.115 63 L HN -0.102 nan 8.230 nan 0.000 0.481 64 V N -1.485 118.559 119.914 0.217 0.000 2.343 64 V HA -0.017 4.096 4.120 -0.012 0.000 0.247 64 V C 2.537 178.746 176.094 0.193 0.000 1.051 64 V CA 1.734 64.204 62.300 0.283 0.000 1.036 64 V CB -1.845 30.103 31.823 0.210 0.000 0.654 64 V HN 0.371 nan 8.190 nan 0.000 0.451 65 G N 0.252 109.122 108.800 0.117 0.000 2.446 65 G HA2 -0.258 3.695 3.960 -0.012 0.000 0.217 65 G HA3 -0.258 3.695 3.960 -0.012 0.000 0.217 65 G C 1.800 176.749 174.900 0.082 0.000 1.168 65 G CA 1.098 46.242 45.100 0.073 0.000 0.771 65 G HN 0.516 nan 8.290 nan 0.000 0.551 66 R N -1.507 119.051 120.500 0.098 0.000 2.092 66 R HA -0.052 4.280 4.340 -0.012 0.000 0.231 66 R C 2.267 178.652 176.300 0.142 0.000 1.119 66 R CA 0.992 57.139 56.100 0.078 0.000 0.970 66 R CB -0.364 29.965 30.300 0.048 0.000 0.864 66 R HN 0.470 nan 8.270 nan 0.000 0.440 67 W N 1.622 122.905 121.300 -0.028 0.000 2.335 67 W HA -0.145 4.508 4.660 -0.012 0.000 0.311 67 W C 1.703 178.195 176.519 -0.045 0.000 1.213 67 W CA 1.125 58.450 57.345 -0.034 0.000 1.274 67 W CB -0.671 28.789 29.460 0.000 0.000 1.148 67 W HN -0.006 nan 8.180 nan 0.000 0.498 68 I N 0.805 121.430 120.570 0.092 0.000 2.179 68 I HA -0.359 3.804 4.170 -0.012 0.000 0.242 68 I C 2.631 178.732 176.117 -0.025 0.000 1.088 68 I CA 1.939 63.213 61.300 -0.043 0.000 1.357 68 I CB -0.508 37.470 38.000 -0.036 0.000 1.051 68 I HN -0.043 nan 8.210 nan 0.000 0.409 69 R N -0.198 120.302 120.500 -0.001 0.000 2.148 69 R HA -0.047 4.286 4.340 -0.012 0.000 0.223 69 R C 2.057 178.325 176.300 -0.052 0.000 1.088 69 R CA 1.553 57.645 56.100 -0.013 0.000 0.985 69 R CB -1.160 29.131 30.300 -0.015 0.000 0.880 69 R HN 0.262 nan 8.270 nan 0.000 0.451 70 T N 1.576 116.074 114.554 -0.094 0.000 2.701 70 T HA -0.101 4.242 4.350 -0.012 0.000 0.263 70 T C 1.848 176.268 174.700 -0.468 0.000 1.040 70 T CA 1.162 63.092 62.100 -0.284 0.000 1.147 70 T CB -0.092 68.651 68.868 -0.207 0.000 0.865 70 T HN 0.165 nan 8.240 nan 0.000 0.426 71 Q N 1.125 120.800 119.800 -0.208 0.000 2.124 71 Q HA -0.131 4.202 4.340 -0.012 0.000 0.202 71 Q C 2.392 178.401 176.000 0.015 0.000 0.977 71 Q CA 1.476 57.229 55.803 -0.083 0.000 0.850 71 Q CB -0.533 28.191 28.738 -0.023 0.000 0.901 71 Q HN 0.819 nan 8.270 nan 0.000 0.429 72 Q N -0.693 119.111 119.800 0.007 0.000 2.123 72 Q HA -0.200 4.133 4.340 -0.012 0.000 0.199 72 Q C 1.861 177.954 176.000 0.155 0.000 0.966 72 Q CA 1.656 57.510 55.803 0.084 0.000 0.845 72 Q CB -0.416 28.350 28.738 0.046 0.000 0.907 72 Q HN 0.426 nan 8.270 nan 0.000 0.439 73 H N -0.195 118.857 119.070 -0.030 0.000 2.290 73 H HA -0.182 4.367 4.556 -0.012 0.000 0.298 73 H C 1.153 176.566 175.328 0.141 0.000 1.087 73 H CA 2.311 58.360 56.048 0.001 0.000 1.291 73 H CB -0.341 29.356 29.762 -0.108 0.000 1.369 73 H HN 0.372 nan 8.280 nan 0.000 0.492 74 Y N -0.955 119.398 120.300 0.087 0.000 2.333 74 Y HA -0.201 4.342 4.550 -0.012 0.000 0.290 74 Y C 2.414 178.343 175.900 0.048 0.000 1.144 74 Y CA 1.023 59.140 58.100 0.029 0.000 1.228 74 Y CB -1.305 37.235 38.460 0.133 0.000 0.985 74 Y HN 0.398 nan 8.280 nan 0.000 0.542 75 Y N 1.077 121.461 120.300 0.141 0.000 2.220 75 Y HA -0.121 4.422 4.550 -0.012 0.000 0.291 75 Y C 2.093 178.008 175.900 0.024 0.000 1.129 75 Y CA 1.543 59.692 58.100 0.082 0.000 1.161 75 Y CB -0.067 38.435 38.460 0.069 0.000 0.997 75 Y HN 0.029 nan 8.280 nan 0.000 0.522 76 E N 0.222 120.411 120.200 -0.019 0.000 2.028 76 E HA -0.153 4.190 4.350 -0.012 0.000 0.191 76 E C 1.933 178.431 176.600 -0.170 0.000 0.988 76 E CA 1.119 57.449 56.400 -0.117 0.000 0.799 76 E CB -0.143 29.557 29.700 0.001 0.000 0.755 76 E HN 0.351 nan 8.360 nan 0.000 0.447 77 K N 0.732 121.016 120.400 -0.194 0.000 2.167 77 K HA -0.072 4.241 4.320 -0.012 0.000 0.203 77 K C 0.246 176.771 176.600 -0.126 0.000 1.052 77 K CA 0.527 56.706 56.287 -0.181 0.000 0.956 77 K CB -0.433 31.895 32.500 -0.287 0.000 0.735 77 K HN 0.068 nan 8.250 nan 0.000 0.451 78 D N 0.455 120.791 120.400 -0.106 0.000 2.746 78 D HA -0.100 4.532 4.640 -0.012 0.000 0.241 78 D C -2.369 173.898 176.300 -0.055 0.000 1.140 78 D CA 0.113 54.068 54.000 -0.076 0.000 0.707 78 D CB -0.262 40.465 40.800 -0.122 0.000 1.034 78 D HN 0.166 nan 8.370 nan 0.000 0.423 79 P HA 0.168 nan 4.420 nan 0.000 0.279 79 P C -0.210 177.041 177.300 -0.082 0.000 1.276 79 P CA -0.685 62.371 63.100 -0.072 0.000 0.801 79 P CB 0.625 32.268 31.700 -0.096 0.000 1.127 80 K N 0.877 121.229 120.400 -0.080 0.000 2.401 80 K HA 0.097 4.410 4.320 -0.012 0.000 0.278 80 K C -0.172 176.329 176.600 -0.164 0.000 1.018 80 K CA -0.100 56.131 56.287 -0.094 0.000 0.981 80 K CB 0.252 32.712 32.500 -0.067 0.000 0.933 80 K HN 0.234 nan 8.250 nan 0.000 0.477 81 R N 3.660 124.040 120.500 -0.200 0.000 2.368 81 R HA 0.350 4.682 4.340 -0.012 0.000 0.302 81 R C -0.588 175.387 176.300 -0.542 0.000 1.002 81 R CA -0.484 55.407 56.100 -0.348 0.000 0.929 81 R CB 0.871 30.968 30.300 -0.339 0.000 1.073 81 R HN 0.512 nan 8.270 nan 0.000 0.464 82 I N 4.536 124.755 120.570 -0.586 0.000 2.321 82 I HA 0.223 4.385 4.170 -0.012 0.000 0.291 82 I C -0.641 175.145 176.117 -0.552 0.000 0.998 82 I CA -0.776 60.130 61.300 -0.656 0.000 1.227 82 I CB 0.795 38.301 38.000 -0.823 0.000 1.368 82 I HN 0.519 nan 8.210 nan 0.000 0.466 83 Y N 5.797 126.063 120.300 -0.057 0.000 2.334 83 Y HA 0.290 4.833 4.550 -0.012 0.000 0.336 83 Y C -0.293 175.717 175.900 0.184 0.000 0.960 83 Y CA -0.766 57.435 58.100 0.168 0.000 1.164 83 Y CB 1.123 39.663 38.460 0.134 0.000 1.155 83 Y HN 0.390 nan 8.280 nan 0.000 0.478 84 Y N 4.588 125.086 120.300 0.329 0.000 2.595 84 Y HA 0.446 4.989 4.550 -0.012 0.000 0.336 84 Y C -1.124 175.051 175.900 0.460 0.000 0.996 84 Y CA -1.002 57.295 58.100 0.328 0.000 1.260 84 Y CB 0.212 38.865 38.460 0.321 0.000 1.108 84 Y HN 0.526 nan 8.280 nan 0.000 0.509 85 L N 4.812 126.102 121.223 0.112 0.000 2.278 85 L HA 0.392 4.725 4.340 -0.012 0.000 0.287 85 L C -0.083 176.813 176.870 0.043 0.000 1.072 85 L CA 0.282 55.232 54.840 0.183 0.000 0.819 85 L CB 0.918 43.044 42.059 0.112 0.000 1.176 85 L HN 0.562 nan 8.230 nan 0.000 0.435 86 S N 2.881 118.692 115.700 0.186 0.000 2.536 86 S HA 0.492 4.955 4.470 -0.012 0.000 0.271 86 S C 0.149 174.859 174.600 0.184 0.000 1.134 86 S CA -0.586 57.630 58.200 0.027 0.000 0.897 86 S CB 1.031 64.045 63.200 -0.310 0.000 1.094 86 S HN 0.448 nan 8.310 nan 0.000 0.473 87 L N 2.816 124.176 121.223 0.230 0.000 2.612 87 L HA 0.475 4.808 4.340 -0.012 0.000 0.230 87 L C 0.257 177.330 176.870 0.337 0.000 1.140 87 L CA 0.880 55.919 54.840 0.330 0.000 0.896 87 L CB -0.221 42.032 42.059 0.323 0.000 1.065 87 L HN 0.665 nan 8.230 nan 0.000 0.447 88 E N -1.246 119.031 120.200 0.129 0.000 2.321 88 E HA 0.382 4.725 4.350 -0.012 0.000 0.278 88 E C -1.407 175.082 176.600 -0.185 0.000 0.902 88 E CA -0.435 56.018 56.400 0.088 0.000 0.758 88 E CB 1.903 31.627 29.700 0.039 0.000 1.213 88 E HN -0.166 nan 8.360 nan 0.000 0.426 89 F N 2.184 122.247 119.950 0.188 0.000 2.949 89 F HA 0.169 4.689 4.527 -0.012 0.000 0.376 89 F C -0.854 175.041 175.800 0.159 0.000 1.205 89 F CA -0.689 57.414 58.000 0.173 0.000 1.155 89 F CB 0.899 39.995 39.000 0.161 0.000 1.495 89 F HN 0.487 nan 8.300 nan 0.000 0.551 90 Y N 5.139 125.514 120.300 0.126 0.000 2.570 90 Y HA 0.169 4.712 4.550 -0.012 0.000 0.336 90 Y C 1.129 177.051 175.900 0.037 0.000 1.284 90 Y CA -0.863 57.264 58.100 0.044 0.000 1.761 90 Y CB 0.212 38.681 38.460 0.016 0.000 1.724 90 Y HN 0.524 nan 8.280 nan 0.000 0.455 91 M N 1.080 120.808 119.600 0.213 0.000 2.193 91 M HA 0.110 4.583 4.480 -0.012 0.000 0.265 91 M C 1.543 177.813 176.300 -0.049 0.000 1.071 91 M CA 1.180 56.514 55.300 0.057 0.000 1.140 91 M CB -1.237 31.380 32.600 0.029 0.000 1.369 91 M HN 0.623 nan 8.290 nan 0.000 0.423 92 G N 0.972 109.751 108.800 -0.035 0.000 2.642 92 G HA2 -0.248 3.705 3.960 -0.012 0.000 0.231 92 G HA3 -0.248 3.705 3.960 -0.012 0.000 0.231 92 G C -0.468 174.387 174.900 -0.076 0.000 1.338 92 G CA -0.378 44.668 45.100 -0.090 0.000 0.883 92 G HN 0.443 nan 8.290 nan 0.000 0.570 93 R N -0.651 119.793 120.500 -0.093 0.000 2.679 93 R HA 0.540 4.873 4.340 -0.012 0.000 0.269 93 R C 1.576 177.771 176.300 -0.174 0.000 1.076 93 R CA 0.532 56.589 56.100 -0.072 0.000 1.160 93 R CB 0.607 30.867 30.300 -0.066 0.000 1.054 93 R HN 0.933 nan 8.270 nan 0.000 0.507 94 T N -0.503 113.898 114.554 -0.255 0.000 3.058 94 T HA 0.042 4.385 4.350 -0.012 0.000 0.278 94 T C 1.136 175.450 174.700 -0.642 0.000 0.974 94 T CA -0.279 61.497 62.100 -0.539 0.000 0.893 94 T CB 0.200 68.552 68.868 -0.860 0.000 1.138 94 T HN 0.317 nan 8.240 nan 0.000 0.529 95 L N 1.920 122.987 121.223 -0.260 0.000 1.961 95 L HA 0.158 4.491 4.340 -0.012 0.000 0.210 95 L C 2.580 179.402 176.870 -0.080 0.000 1.072 95 L CA 2.243 57.071 54.840 -0.021 0.000 0.749 95 L CB -1.023 41.235 42.059 0.333 0.000 0.889 95 L HN 0.390 nan 8.230 nan 0.000 0.432 96 Q N -0.608 119.155 119.800 -0.063 0.000 2.061 96 Q HA -0.274 4.059 4.340 -0.012 0.000 0.204 96 Q C 2.238 178.165 176.000 -0.122 0.000 0.984 96 Q CA 2.019 57.779 55.803 -0.071 0.000 0.846 96 Q CB -0.370 28.326 28.738 -0.071 0.000 0.902 96 Q HN 0.689 nan 8.270 nan 0.000 0.421 97 N N -1.010 117.579 118.700 -0.185 0.000 2.205 97 N HA -0.150 4.583 4.740 -0.012 0.000 0.186 97 N C 1.285 176.688 175.510 -0.178 0.000 1.015 97 N CA 1.755 54.687 53.050 -0.197 0.000 0.862 97 N CB 0.071 38.407 38.487 -0.252 0.000 0.986 97 N HN 0.240 nan 8.380 nan 0.000 0.429 98 T N 0.930 115.347 114.554 -0.229 0.000 2.857 98 T HA 0.022 4.365 4.350 -0.012 0.000 0.266 98 T C 2.053 176.690 174.700 -0.105 0.000 1.048 98 T CA 0.743 62.723 62.100 -0.200 0.000 1.139 98 T CB 0.018 68.714 68.868 -0.286 0.000 0.874 98 T HN 0.244 nan 8.240 nan 0.000 0.455 99 M N 0.603 120.157 119.600 -0.077 0.000 2.117 99 M HA -0.081 4.392 4.480 -0.012 0.000 0.262 99 M C 2.434 178.701 176.300 -0.054 0.000 1.065 99 M CA 1.217 56.488 55.300 -0.049 0.000 1.114 99 M CB -0.583 32.003 32.600 -0.024 0.000 1.361 99 M HN 0.098 nan 8.290 nan 0.000 0.408 100 V N 1.058 120.944 119.914 -0.046 0.000 2.233 100 V HA -0.288 3.825 4.120 -0.012 0.000 0.247 100 V C 1.767 177.871 176.094 0.016 0.000 1.050 100 V CA 2.028 64.326 62.300 -0.003 0.000 1.010 100 V CB -0.923 30.899 31.823 -0.001 0.000 0.637 100 V HN 0.474 nan 8.190 nan 0.000 0.444 101 N N -0.258 118.445 118.700 0.004 0.000 2.519 101 N HA -0.075 4.658 4.740 -0.012 0.000 0.186 101 N C 1.061 176.473 175.510 -0.163 0.000 1.062 101 N CA 0.782 53.816 53.050 -0.028 0.000 0.910 101 N CB -0.144 38.334 38.487 -0.014 0.000 0.958 101 N HN 0.294 nan 8.380 nan 0.000 0.445 102 L N -0.536 120.611 121.223 -0.127 0.000 2.693 102 L HA 0.409 4.742 4.340 -0.012 0.000 0.235 102 L C 0.566 177.354 176.870 -0.137 0.000 1.127 102 L CA -0.177 54.587 54.840 -0.127 0.000 0.914 102 L CB -0.599 41.410 42.059 -0.082 0.000 1.193 102 L HN 0.096 nan 8.230 nan 0.000 0.502 103 A N -0.549 122.190 122.820 -0.135 0.000 2.869 103 A HA -0.217 4.096 4.320 -0.012 0.000 0.280 103 A C 1.077 178.604 177.584 -0.094 0.000 1.458 103 A CA 0.965 52.935 52.037 -0.112 0.000 0.776 103 A CB -1.972 16.948 19.000 -0.133 0.000 1.028 103 A HN 0.217 nan 8.150 nan 0.000 0.547 104 L N -0.848 120.319 121.223 -0.092 0.000 2.638 104 L HA 0.246 4.578 4.340 -0.012 0.000 0.232 104 L C 1.869 178.702 176.870 -0.063 0.000 1.099 104 L CA 1.636 56.415 54.840 -0.102 0.000 0.883 104 L CB -0.318 41.656 42.059 -0.141 0.000 1.136 104 L HN 0.621 nan 8.230 nan 0.000 0.492 105 E N -0.145 120.028 120.200 -0.044 0.000 2.114 105 E HA -0.275 4.068 4.350 -0.012 0.000 0.199 105 E C 1.666 178.252 176.600 -0.023 0.000 1.008 105 E CA 1.746 58.130 56.400 -0.026 0.000 0.810 105 E CB 0.230 29.918 29.700 -0.020 0.000 0.739 105 E HN 0.407 nan 8.360 nan 0.000 0.456 106 N N -0.287 118.396 118.700 -0.029 0.000 2.135 106 N HA -0.071 4.662 4.740 -0.012 0.000 0.186 106 N C 1.580 177.073 175.510 -0.029 0.000 1.027 106 N CA 1.251 54.283 53.050 -0.029 0.000 0.849 106 N CB -0.514 37.955 38.487 -0.030 0.000 1.002 106 N HN 0.241 nan 8.380 nan 0.000 0.425 107 A N 0.722 123.522 122.820 -0.033 0.000 1.873 107 A HA -0.204 4.109 4.320 -0.012 0.000 0.218 107 A C 2.703 180.276 177.584 -0.019 0.000 1.193 107 A CA 1.691 53.711 52.037 -0.029 0.000 0.629 107 A CB -1.230 17.742 19.000 -0.046 0.000 0.826 107 A HN 0.458 nan 8.150 nan 0.000 0.447 108 C N -0.921 118.366 119.300 -0.022 0.000 2.413 108 C HA -0.099 4.354 4.460 -0.012 0.000 0.277 108 C C 2.518 177.504 174.990 -0.007 0.000 1.265 108 C CA 1.219 60.233 59.018 -0.005 0.000 1.752 108 C CB -1.209 26.537 27.740 0.011 0.000 1.998 108 C HN 0.680 nan 8.230 nan 0.000 0.489 109 D N 0.406 120.803 120.400 -0.005 0.000 2.097 109 D HA -0.133 4.500 4.640 -0.012 0.000 0.195 109 D C 2.136 178.447 176.300 0.018 0.000 0.989 109 D CA 1.516 55.517 54.000 0.002 0.000 0.827 109 D CB -0.281 40.510 40.800 -0.014 0.000 0.966 109 D HN 0.488 nan 8.370 nan 0.000 0.456 110 E N 0.580 120.781 120.200 0.003 0.000 2.031 110 E HA -0.087 4.256 4.350 -0.012 0.000 0.193 110 E C 1.911 178.555 176.600 0.072 0.000 0.994 110 E CA 1.791 58.208 56.400 0.029 0.000 0.800 110 E CB -0.637 29.062 29.700 -0.001 0.000 0.752 110 E HN 0.180 nan 8.360 nan 0.000 0.447 111 A N -0.096 122.732 122.820 0.013 0.000 1.892 111 A HA -0.243 4.069 4.320 -0.012 0.000 0.218 111 A C 2.511 180.030 177.584 -0.108 0.000 1.188 111 A CA 3.126 55.146 52.037 -0.027 0.000 0.631 111 A CB -1.575 17.408 19.000 -0.029 0.000 0.822 111 A HN 0.543 nan 8.150 nan 0.000 0.447 112 T N -3.822 110.652 114.554 -0.134 0.000 2.915 112 T HA -0.191 4.152 4.350 -0.012 0.000 0.269 112 T C 1.792 176.402 174.700 -0.150 0.000 1.071 112 T CA 1.474 63.425 62.100 -0.248 0.000 1.132 112 T CB -0.531 68.222 68.868 -0.192 0.000 0.878 112 T HN 0.505 nan 8.240 nan 0.000 0.479 113 Y N 2.166 122.384 120.300 -0.138 0.000 2.145 113 Y HA -0.072 4.471 4.550 -0.011 0.000 0.286 113 Y C 2.642 178.483 175.900 -0.099 0.000 1.145 113 Y CA 1.532 59.573 58.100 -0.100 0.000 1.148 113 Y CB -0.486 37.935 38.460 -0.066 0.000 0.981 113 Y HN 0.216 nan 8.280 nan 0.000 0.507 114 Q N -0.745 119.000 119.800 -0.092 0.000 2.226 114 Q HA -0.136 4.196 4.340 -0.012 0.000 0.204 114 Q C 1.536 177.417 176.000 -0.198 0.000 0.975 114 Q CA 0.959 56.673 55.803 -0.148 0.000 0.866 114 Q CB -0.096 28.636 28.738 -0.010 0.000 0.915 114 Q HN 0.354 nan 8.270 nan 0.000 0.440 115 L N -0.614 120.478 121.223 -0.219 0.000 2.599 115 L HA 0.124 4.456 4.340 -0.012 0.000 0.230 115 L C 1.087 177.804 176.870 -0.254 0.000 1.141 115 L CA 1.218 55.921 54.840 -0.228 0.000 0.877 115 L CB -0.568 41.278 42.059 -0.355 0.000 1.009 115 L HN 0.338 nan 8.230 nan 0.000 0.447 116 G N -0.183 108.438 108.800 -0.299 0.000 2.176 116 G HA2 -0.262 3.691 3.960 -0.012 0.000 0.252 116 G HA3 -0.262 3.691 3.960 -0.012 0.000 0.252 116 G C 0.094 174.842 174.900 -0.252 0.000 1.024 116 G CA 0.470 45.395 45.100 -0.291 0.000 0.755 116 G HN 0.321 nan 8.290 nan 0.000 0.507 117 L N -0.586 120.484 121.223 -0.254 0.000 2.323 117 L HA 0.643 4.976 4.340 -0.012 0.000 0.265 117 L C -0.483 176.334 176.870 -0.088 0.000 1.012 117 L CA -1.221 53.499 54.840 -0.201 0.000 0.820 117 L CB 1.820 43.699 42.059 -0.301 0.000 1.334 117 L HN 0.057 nan 8.230 nan 0.000 0.427 118 D N 1.663 122.044 120.400 -0.033 0.000 2.443 118 D HA 0.175 4.808 4.640 -0.012 0.000 0.221 118 D C 0.692 177.012 176.300 0.034 0.000 1.097 118 D CA -0.300 53.714 54.000 0.023 0.000 0.865 118 D CB 1.430 42.251 40.800 0.035 0.000 1.034 118 D HN 0.532 nan 8.370 nan 0.000 0.511 119 M N 3.205 122.827 119.600 0.036 0.000 2.108 119 M HA -0.209 4.263 4.480 -0.012 0.000 0.257 119 M C 1.407 177.746 176.300 0.065 0.000 1.071 119 M CA 1.730 57.061 55.300 0.051 0.000 1.093 119 M CB 0.131 32.756 32.600 0.041 0.000 1.345 119 M HN 0.401 nan 8.290 nan 0.000 0.403 120 E N -0.365 119.867 120.200 0.053 0.000 2.153 120 E HA -0.256 4.087 4.350 -0.012 0.000 0.194 120 E C 1.911 178.545 176.600 0.057 0.000 0.988 120 E CA 1.446 57.877 56.400 0.052 0.000 0.811 120 E CB -0.151 29.578 29.700 0.048 0.000 0.746 120 E HN 0.651 nan 8.360 nan 0.000 0.466 121 E N 0.165 120.401 120.200 0.059 0.000 2.106 121 E HA -0.187 4.156 4.350 -0.012 0.000 0.192 121 E C 1.845 178.486 176.600 0.068 0.000 0.984 121 E CA 0.537 56.972 56.400 0.059 0.000 0.806 121 E CB 0.201 29.936 29.700 0.058 0.000 0.750 121 E HN 0.085 nan 8.360 nan 0.000 0.458 122 L N 1.038 122.321 121.223 0.100 0.000 2.109 122 L HA -0.088 4.244 4.340 -0.012 0.000 0.207 122 L C 2.028 178.960 176.870 0.103 0.000 1.086 122 L CA 1.511 56.443 54.840 0.154 0.000 0.760 122 L CB -0.463 41.738 42.059 0.237 0.000 0.910 122 L HN 0.087 nan 8.230 nan 0.000 0.437 123 E N -0.618 119.633 120.200 0.085 0.000 2.153 123 E HA -0.192 4.150 4.350 -0.012 0.000 0.194 123 E C 1.766 178.335 176.600 -0.052 0.000 0.988 123 E CA 0.747 57.172 56.400 0.041 0.000 0.811 123 E CB 0.115 29.843 29.700 0.047 0.000 0.746 123 E HN 0.361 nan 8.360 nan 0.000 0.466 124 E N 0.016 120.199 120.200 -0.029 0.000 2.418 124 E HA -0.104 4.239 4.350 -0.012 0.000 0.197 124 E C 1.725 178.264 176.600 -0.101 0.000 1.026 124 E CA 0.510 56.891 56.400 -0.032 0.000 0.862 124 E CB 0.101 29.814 29.700 0.021 0.000 0.799 124 E HN 0.415 nan 8.360 nan 0.000 0.518 125 I N 0.769 121.217 120.570 -0.204 0.000 2.876 125 I HA -0.085 4.078 4.170 -0.012 0.000 0.264 125 I C 1.336 177.139 176.117 -0.523 0.000 1.204 125 I CA 0.169 61.281 61.300 -0.312 0.000 1.485 125 I CB 0.168 37.989 38.000 -0.297 0.000 1.103 125 I HN -0.032 nan 8.210 nan 0.000 0.446 126 E N 2.194 121.979 120.200 -0.692 0.000 2.384 126 E HA -0.040 4.303 4.350 -0.012 0.000 0.266 126 E C -0.062 176.444 176.600 -0.157 0.000 1.012 126 E CA -0.169 55.878 56.400 -0.588 0.000 0.901 126 E CB 0.684 30.160 29.700 -0.372 0.000 0.967 126 E HN 0.073 nan 8.360 nan 0.000 0.435 127 E N 2.620 122.826 120.200 0.010 0.000 2.313 127 E HA 0.114 4.456 4.350 -0.012 0.000 0.272 127 E C -1.240 175.469 176.600 0.182 0.000 1.038 127 E CA -0.409 56.082 56.400 0.152 0.000 0.863 127 E CB 0.939 30.817 29.700 0.297 0.000 1.060 127 E HN 0.370 nan 8.360 nan 0.000 0.402 128 D N 1.470 121.950 120.400 0.133 0.000 2.382 128 D HA 0.300 4.932 4.640 -0.012 0.000 0.245 128 D C -0.837 175.482 176.300 0.033 0.000 1.120 128 D CA 0.208 54.251 54.000 0.070 0.000 0.890 128 D CB 1.039 41.864 40.800 0.040 0.000 1.201 128 D HN 0.423 nan 8.370 nan 0.000 0.433 129 A N 2.339 125.119 122.820 -0.067 0.000 3.015 129 A HA 0.461 4.774 4.320 -0.012 0.000 0.293 129 A C 0.951 178.358 177.584 -0.294 0.000 1.572 129 A CA -0.534 51.246 52.037 -0.429 0.000 1.274 129 A CB -0.345 18.497 19.000 -0.265 0.000 1.156 129 A HN 0.528 nan 8.150 nan 0.000 0.562 130 G N 1.309 109.931 108.800 -0.296 0.000 3.401 130 G HA2 0.371 4.324 3.960 -0.012 0.000 0.251 130 G HA3 0.371 4.324 3.960 -0.012 0.000 0.251 130 G C 0.349 175.050 174.900 -0.332 0.000 0.960 130 G CA -0.230 44.791 45.100 -0.133 0.000 1.900 130 G HN 0.672 nan 8.290 nan 0.000 0.645 131 L N 1.420 122.495 121.223 -0.247 0.000 2.862 131 L HA 0.360 4.692 4.340 -0.012 0.000 0.240 131 L C 1.071 177.871 176.870 -0.117 0.000 1.283 131 L CA -0.245 54.534 54.840 -0.103 0.000 1.117 131 L CB -0.318 41.805 42.059 0.107 0.000 1.444 131 L HN 0.342 nan 8.230 nan 0.000 0.456 132 G N -1.316 107.179 108.800 -0.509 0.000 2.684 132 G HA2 0.229 4.182 3.960 -0.012 0.000 0.290 132 G HA3 0.229 4.182 3.960 -0.012 0.000 0.290 132 G C -0.129 174.279 174.900 -0.821 0.000 1.425 132 G CA -0.414 44.347 45.100 -0.565 0.000 0.822 132 G HN -0.091 nan 8.290 nan 0.000 0.482 133 N N -0.888 117.573 118.700 -0.398 0.000 2.436 133 N HA 0.211 4.943 4.740 -0.012 0.000 0.178 133 N C 1.142 176.631 175.510 -0.035 0.000 1.026 133 N CA 1.243 54.160 53.050 -0.221 0.000 0.880 133 N CB 1.286 39.756 38.487 -0.029 0.000 1.061 133 N HN 0.775 nan 8.380 nan 0.000 0.434 134 G N -0.735 108.130 108.800 0.107 0.000 3.078 134 G HA2 0.217 4.170 3.960 -0.012 0.000 0.131 134 G HA3 0.217 4.170 3.960 -0.012 0.000 0.131 134 G C 0.744 175.783 174.900 0.231 0.000 1.219 134 G CA 0.303 45.563 45.100 0.267 0.000 1.319 134 G HN 0.170 nan 8.290 nan 0.000 0.653 135 G N 0.446 109.328 108.800 0.137 0.000 2.446 135 G HA2 -0.094 3.859 3.960 -0.012 0.000 0.217 135 G HA3 -0.094 3.859 3.960 -0.012 0.000 0.217 135 G C 1.885 176.802 174.900 0.027 0.000 1.168 135 G CA 1.444 46.589 45.100 0.075 0.000 0.771 135 G HN 0.734 nan 8.290 nan 0.000 0.551 136 L N 0.610 121.817 121.223 -0.025 0.000 2.046 136 L HA 0.069 4.401 4.340 -0.012 0.000 0.208 136 L C 2.764 179.575 176.870 -0.098 0.000 1.077 136 L CA 1.967 56.694 54.840 -0.188 0.000 0.747 136 L CB -0.468 41.414 42.059 -0.295 0.000 0.896 136 L HN 0.242 nan 8.230 nan 0.000 0.432 137 G N -1.022 107.780 108.800 0.003 0.000 2.430 137 G HA2 -0.200 3.753 3.960 -0.012 0.000 0.216 137 G HA3 -0.200 3.753 3.960 -0.012 0.000 0.216 137 G C 1.678 176.657 174.900 0.131 0.000 1.146 137 G CA 0.065 45.188 45.100 0.040 0.000 0.793 137 G HN 0.157 nan 8.290 nan 0.000 0.537 138 R N 0.068 120.673 120.500 0.175 0.000 2.153 138 R HA 0.153 4.486 4.340 -0.012 0.000 0.218 138 R C 2.358 178.678 176.300 0.033 0.000 1.072 138 R CA 0.461 56.643 56.100 0.136 0.000 0.990 138 R CB -0.842 29.508 30.300 0.084 0.000 0.889 138 R HN 0.400 nan 8.270 nan 0.000 0.452 139 L N 0.626 121.803 121.223 -0.077 0.000 2.017 139 L HA -0.055 4.278 4.340 -0.012 0.000 0.208 139 L C 2.181 178.790 176.870 -0.436 0.000 1.073 139 L CA 2.237 56.888 54.840 -0.316 0.000 0.745 139 L CB -0.828 41.009 42.059 -0.370 0.000 0.894 139 L HN 0.169 nan 8.230 nan 0.000 0.432 140 A N -0.538 122.145 122.820 -0.229 0.000 1.948 140 A HA -0.197 4.115 4.320 -0.012 0.000 0.220 140 A C 2.426 180.064 177.584 0.090 0.000 1.177 140 A CA 2.036 54.004 52.037 -0.115 0.000 0.636 140 A CB -1.197 17.699 19.000 -0.173 0.000 0.815 140 A HN 0.595 nan 8.150 nan 0.000 0.449 141 A N -1.413 121.495 122.820 0.147 0.000 1.930 141 A HA -0.119 4.194 4.320 -0.012 0.000 0.217 141 A C 2.294 179.957 177.584 0.133 0.000 1.175 141 A CA 1.573 53.730 52.037 0.199 0.000 0.627 141 A CB -1.129 17.976 19.000 0.175 0.000 0.815 141 A HN 0.589 nan 8.150 nan 0.000 0.443 142 C N -1.642 117.733 119.300 0.126 0.000 2.466 142 C HA -0.001 4.452 4.460 -0.012 0.000 0.278 142 C C 2.397 177.548 174.990 0.268 0.000 1.288 142 C CA 0.477 59.605 59.018 0.183 0.000 1.722 142 C CB -1.507 26.362 27.740 0.215 0.000 2.017 142 C HN 0.615 nan 8.230 nan 0.000 0.488 143 F N 0.585 120.519 119.950 -0.026 0.000 2.134 143 F HA -0.088 4.431 4.527 -0.012 0.000 0.299 143 F C 2.114 177.854 175.800 -0.099 0.000 1.097 143 F CA 1.106 59.038 58.000 -0.114 0.000 1.264 143 F CB -1.353 37.440 39.000 -0.345 0.000 1.001 143 F HN 0.092 nan 8.300 nan 0.000 0.479 144 L N 0.341 121.644 121.223 0.133 0.000 2.012 144 L HA -0.237 4.096 4.340 -0.012 0.000 0.210 144 L C 2.407 179.292 176.870 0.025 0.000 1.073 144 L CA 1.921 56.797 54.840 0.060 0.000 0.748 144 L CB -1.203 40.906 42.059 0.083 0.000 0.891 144 L HN 0.180 nan 8.230 nan 0.000 0.431 145 D N -1.355 119.069 120.400 0.038 0.000 2.117 145 D HA -0.162 4.471 4.640 -0.012 0.000 0.197 145 D C 1.878 178.194 176.300 0.025 0.000 0.987 145 D CA 1.516 55.522 54.000 0.011 0.000 0.829 145 D CB 0.444 41.246 40.800 0.002 0.000 0.961 145 D HN 0.324 nan 8.370 nan 0.000 0.460 146 S N -0.056 115.675 115.700 0.051 0.000 2.371 146 S HA -0.054 4.408 4.470 -0.012 0.000 0.224 146 S C 2.140 176.749 174.600 0.015 0.000 1.029 146 S CA 0.685 58.907 58.200 0.036 0.000 0.978 146 S CB -0.116 63.112 63.200 0.045 0.000 0.833 146 S HN 0.331 nan 8.310 nan 0.000 0.466 147 M N 1.111 120.711 119.600 -0.000 0.000 2.213 147 M HA -0.105 4.368 4.480 -0.012 0.000 0.263 147 M C 2.391 178.689 176.300 -0.004 0.000 1.062 147 M CA 1.372 56.667 55.300 -0.007 0.000 1.105 147 M CB -0.481 32.095 32.600 -0.040 0.000 1.385 147 M HN 0.407 nan 8.290 nan 0.000 0.417 148 A N -0.364 122.453 122.820 -0.005 0.000 1.872 148 A HA -0.104 4.209 4.320 -0.012 0.000 0.214 148 A C 2.149 179.747 177.584 0.023 0.000 1.187 148 A CA 1.899 53.937 52.037 0.002 0.000 0.614 148 A CB -1.022 17.963 19.000 -0.024 0.000 0.826 148 A HN 0.396 nan 8.150 nan 0.000 0.442 149 T N 0.268 114.841 114.554 0.031 0.000 2.881 149 T HA 0.019 4.362 4.350 -0.012 0.000 0.270 149 T C 1.271 176.000 174.700 0.049 0.000 1.068 149 T CA 0.967 63.099 62.100 0.055 0.000 1.131 149 T CB -0.247 68.664 68.868 0.071 0.000 0.871 149 T HN 0.312 nan 8.240 nan 0.000 0.479 150 L N 0.469 121.716 121.223 0.039 0.000 2.653 150 L HA 0.299 4.631 4.340 -0.012 0.000 0.231 150 L C 1.475 178.372 176.870 0.045 0.000 1.153 150 L CA -0.204 54.660 54.840 0.040 0.000 0.933 150 L CB -0.356 41.724 42.059 0.036 0.000 1.175 150 L HN 0.366 nan 8.230 nan 0.000 0.473 151 G N 1.526 110.357 108.800 0.051 0.000 2.338 151 G HA2 -0.282 3.671 3.960 -0.012 0.000 0.296 151 G HA3 -0.282 3.671 3.960 -0.012 0.000 0.296 151 G C -0.052 174.886 174.900 0.062 0.000 1.040 151 G CA 0.133 45.279 45.100 0.077 0.000 1.004 151 G HN 0.282 nan 8.290 nan 0.000 0.509 152 L N -0.298 120.932 121.223 0.013 0.000 2.322 152 L HA 0.646 4.979 4.340 -0.012 0.000 0.279 152 L C 1.120 177.855 176.870 -0.225 0.000 1.036 152 L CA -0.624 54.173 54.840 -0.072 0.000 0.807 152 L CB 1.856 43.891 42.059 -0.041 0.000 1.226 152 L HN 0.290 nan 8.230 nan 0.000 0.433 153 A N 3.094 125.637 122.820 -0.462 0.000 3.026 153 A HA 0.553 4.866 4.320 -0.012 0.000 0.272 153 A C 0.294 177.545 177.584 -0.555 0.000 1.782 153 A CA -0.123 51.369 52.037 -0.909 0.000 1.451 153 A CB -0.667 17.716 19.000 -1.028 0.000 1.081 153 A HN 0.680 nan 8.150 nan 0.000 0.611 154 A N 1.416 123.958 122.820 -0.464 0.000 2.340 154 A HA 0.794 5.107 4.320 -0.012 0.000 0.331 154 A C -0.998 176.332 177.584 -0.423 0.000 1.140 154 A CA -0.470 51.351 52.037 -0.360 0.000 0.801 154 A CB 0.780 19.635 19.000 -0.243 0.000 1.234 154 A HN 0.606 nan 8.150 nan 0.000 0.469 155 Y N 0.234 120.487 120.300 -0.079 0.000 2.391 155 Y HA 0.546 5.089 4.550 -0.012 0.000 0.341 155 Y C 0.845 176.818 175.900 0.121 0.000 0.965 155 Y CA -0.570 57.538 58.100 0.013 0.000 1.067 155 Y CB 2.454 40.972 38.460 0.098 0.000 1.199 155 Y HN 0.815 nan 8.280 nan 0.000 0.450 156 G N 2.275 111.150 108.800 0.125 0.000 2.319 156 G HA2 0.440 4.393 3.960 -0.012 0.000 0.308 156 G HA3 0.440 4.393 3.960 -0.012 0.000 0.308 156 G C -1.746 173.172 174.900 0.029 0.000 1.117 156 G CA -0.257 44.963 45.100 0.201 0.000 0.903 156 G HN 0.499 nan 8.290 nan 0.000 0.436 157 Y N 1.344 121.884 120.300 0.400 0.000 2.341 157 Y HA 0.637 5.179 4.550 -0.012 0.000 0.338 157 Y C 0.807 177.011 175.900 0.506 0.000 0.965 157 Y CA 0.246 58.552 58.100 0.343 0.000 1.108 157 Y CB 2.564 41.250 38.460 0.377 0.000 1.180 157 Y HN 0.826 nan 8.280 nan 0.000 0.458 158 G N 2.434 111.567 108.800 0.555 0.000 2.846 158 G HA2 0.586 4.539 3.960 -0.012 0.000 0.299 158 G HA3 0.586 4.539 3.960 -0.012 0.000 0.299 158 G C -1.727 173.440 174.900 0.445 0.000 1.242 158 G CA -0.807 44.646 45.100 0.589 0.000 0.800 158 G HN 0.428 nan 8.290 nan 0.000 0.538 159 I N 0.640 121.364 120.570 0.258 0.000 2.441 159 I HA 0.425 4.587 4.170 -0.012 0.000 0.295 159 I C 0.165 176.172 176.117 -0.183 0.000 0.994 159 I CA -0.713 60.611 61.300 0.040 0.000 1.144 159 I CB 2.207 40.035 38.000 -0.287 0.000 1.314 159 I HN 0.355 nan 8.210 nan 0.000 0.445 160 R N 6.487 126.975 120.500 -0.020 0.000 2.593 160 R HA 0.254 4.587 4.340 -0.012 0.000 0.282 160 R C -1.299 175.032 176.300 0.052 0.000 1.300 160 R CA -0.463 55.660 56.100 0.038 0.000 1.221 160 R CB 0.000 30.301 30.300 0.002 0.000 1.157 160 R HN 0.396 nan 8.270 nan 0.000 0.555 161 Y N 1.675 122.138 120.300 0.271 0.000 2.425 161 Y HA -0.037 4.506 4.550 -0.012 0.000 0.331 161 Y C 1.518 177.595 175.900 0.296 0.000 1.157 161 Y CA -0.084 58.164 58.100 0.247 0.000 1.372 161 Y CB 0.886 39.480 38.460 0.223 0.000 1.253 161 Y HN 0.555 nan 8.280 nan 0.000 0.536 162 E N 1.207 121.571 120.200 0.273 0.000 2.435 162 E HA 0.038 4.381 4.350 -0.012 0.000 0.195 162 E C -0.763 175.730 176.600 -0.179 0.000 1.029 162 E CA 0.471 56.852 56.400 -0.032 0.000 0.865 162 E CB 0.102 29.610 29.700 -0.320 0.000 0.833 162 E HN 0.434 nan 8.360 nan 0.000 0.510 163 F N 1.183 121.369 119.950 0.393 0.000 2.496 163 F HA 0.474 4.994 4.527 -0.012 0.000 0.341 163 F C 0.858 176.762 175.800 0.173 0.000 1.134 163 F CA -1.066 57.110 58.000 0.294 0.000 0.968 163 F CB 2.077 41.175 39.000 0.164 0.000 1.205 163 F HN -0.063 nan 8.300 nan 0.000 0.436 164 G N 2.008 110.940 108.800 0.220 0.000 2.582 164 G HA2 0.330 4.283 3.960 -0.012 0.000 0.232 164 G HA3 0.330 4.283 3.960 -0.012 0.000 0.232 164 G C -0.534 174.334 174.900 -0.054 0.000 1.458 164 G CA -0.670 44.398 45.100 -0.053 0.000 1.062 164 G HN 0.501 nan 8.290 nan 0.000 0.566 165 I N 1.036 121.495 120.570 -0.183 0.000 2.683 165 I HA 0.215 4.378 4.170 -0.012 0.000 0.286 165 I C 0.527 176.554 176.117 -0.150 0.000 1.175 165 I CA -1.178 59.983 61.300 -0.231 0.000 1.429 165 I CB -0.300 37.467 38.000 -0.389 0.000 1.371 165 I HN 0.325 nan 8.210 nan 0.000 0.569 166 F N 6.583 126.541 119.950 0.012 0.000 2.589 166 F HA 0.255 4.775 4.527 -0.012 0.000 0.352 166 F C 0.426 176.272 175.800 0.077 0.000 1.168 166 F CA -0.535 57.493 58.000 0.047 0.000 1.353 166 F CB -0.269 38.744 39.000 0.022 0.000 1.116 166 F HN 0.431 nan 8.300 nan 0.000 0.608 167 N N 2.460 121.351 118.700 0.318 0.000 2.458 167 N HA 0.065 4.798 4.740 -0.012 0.000 0.270 167 N C -0.815 174.940 175.510 0.409 0.000 1.102 167 N CA -0.304 52.896 53.050 0.251 0.000 0.967 167 N CB 1.227 39.847 38.487 0.222 0.000 1.078 167 N HN 0.762 nan 8.380 nan 0.000 0.471 168 Q N 2.299 122.303 119.800 0.341 0.000 2.256 168 Q HA 0.208 4.541 4.340 -0.012 0.000 0.254 168 Q C -0.945 175.231 176.000 0.293 0.000 0.916 168 Q CA -0.214 55.831 55.803 0.404 0.000 0.932 168 Q CB 0.790 29.767 28.738 0.397 0.000 1.207 168 Q HN 0.279 nan 8.270 nan 0.000 0.426 169 K N 4.264 124.813 120.400 0.249 0.000 2.378 169 K HA 0.448 4.761 4.320 -0.012 0.000 0.252 169 K C -0.956 175.749 176.600 0.175 0.000 0.931 169 K CA -0.930 55.478 56.287 0.202 0.000 0.794 169 K CB 1.607 34.203 32.500 0.160 0.000 1.181 169 K HN 0.617 nan 8.250 nan 0.000 0.425 170 I N 2.485 123.154 120.570 0.165 0.000 2.312 170 I HA 0.198 4.360 4.170 -0.012 0.000 0.290 170 I C -0.142 176.040 176.117 0.109 0.000 1.008 170 I CA -0.679 60.689 61.300 0.114 0.000 1.226 170 I CB 0.687 38.740 38.000 0.087 0.000 1.371 170 I HN 0.475 nan 8.210 nan 0.000 0.468 171 C N 4.405 123.780 119.300 0.126 0.000 2.293 171 C HA 0.575 5.028 4.460 -0.012 0.000 0.323 171 C C 1.172 176.271 174.990 0.183 0.000 1.240 171 C CA -0.220 58.877 59.018 0.132 0.000 1.497 171 C CB 0.272 28.082 27.740 0.117 0.000 2.171 171 C HN 1.086 nan 8.230 nan 0.000 0.465 172 G N 3.098 111.975 108.800 0.127 0.000 2.305 172 G HA2 0.077 4.030 3.960 -0.012 0.000 0.287 172 G HA3 0.077 4.030 3.960 -0.012 0.000 0.287 172 G C 1.096 176.015 174.900 0.032 0.000 1.036 172 G CA 0.972 46.150 45.100 0.130 0.000 0.887 172 G HN 2.304 nan 8.290 nan 0.000 0.505 173 G N -2.912 105.854 108.800 -0.056 0.000 2.179 173 G HA2 -0.302 3.650 3.960 -0.012 0.000 0.260 173 G HA3 -0.302 3.650 3.960 -0.012 0.000 0.260 173 G C 0.412 175.090 174.900 -0.370 0.000 0.977 173 G CA 0.702 45.647 45.100 -0.257 0.000 0.641 173 G HN 1.193 nan 8.290 nan 0.000 0.533 174 W N 0.784 122.034 121.300 -0.083 0.000 2.516 174 W HA 0.661 5.313 4.660 -0.012 0.000 0.343 174 W C 0.638 177.107 176.519 -0.082 0.000 1.094 174 W CA -0.833 56.456 57.345 -0.093 0.000 1.250 174 W CB 0.814 30.235 29.460 -0.065 0.000 1.308 174 W HN 0.263 nan 8.180 nan 0.000 0.588 175 Q N 2.777 122.688 119.800 0.185 0.000 2.314 175 Q HA 0.310 4.643 4.340 -0.012 0.000 0.258 175 Q C -0.704 175.354 176.000 0.096 0.000 0.954 175 Q CA -0.027 55.846 55.803 0.117 0.000 0.890 175 Q CB 0.651 29.449 28.738 0.101 0.000 1.210 175 Q HN 0.306 nan 8.270 nan 0.000 0.410 176 M N 3.246 122.898 119.600 0.086 0.000 2.321 176 M HA 0.376 4.849 4.480 -0.012 0.000 0.315 176 M C -1.148 175.159 176.300 0.010 0.000 1.052 176 M CA -0.608 54.709 55.300 0.029 0.000 0.936 176 M CB 1.703 34.335 32.600 0.054 0.000 1.639 176 M HN 0.660 nan 8.290 nan 0.000 0.433 177 E N 1.930 122.056 120.200 -0.124 0.000 2.242 177 E HA 0.532 4.875 4.350 -0.012 0.000 0.275 177 E C -0.557 176.021 176.600 -0.037 0.000 1.002 177 E CA -0.517 55.763 56.400 -0.201 0.000 0.841 177 E CB 1.605 30.909 29.700 -0.661 0.000 1.109 177 E HN 0.538 nan 8.360 nan 0.000 0.394 178 E N 0.887 121.146 120.200 0.098 0.000 2.335 178 E HA 0.582 4.925 4.350 -0.012 0.000 0.280 178 E C -1.324 175.360 176.600 0.141 0.000 0.918 178 E CA -1.260 55.193 56.400 0.088 0.000 0.765 178 E CB 1.218 30.977 29.700 0.100 0.000 1.218 178 E HN 0.526 nan 8.360 nan 0.000 0.425 179 A N 2.918 125.774 122.820 0.060 0.000 2.598 179 A HA -0.005 4.308 4.320 -0.012 0.000 0.239 179 A C 0.095 177.836 177.584 0.261 0.000 1.032 179 A CA 0.861 52.938 52.037 0.066 0.000 0.760 179 A CB -0.113 18.793 19.000 -0.157 0.000 0.946 179 A HN 0.673 nan 8.150 nan 0.000 0.512 180 D N 1.847 122.479 120.400 0.388 0.000 2.522 180 D HA 0.186 4.819 4.640 -0.012 0.000 0.218 180 D C -0.431 176.214 176.300 0.575 0.000 1.149 180 D CA -0.250 53.992 54.000 0.404 0.000 0.981 180 D CB 0.283 41.257 40.800 0.290 0.000 1.041 180 D HN 0.369 nan 8.370 nan 0.000 0.518 181 D N 3.561 124.258 120.400 0.495 0.000 2.688 181 D HA -0.029 4.604 4.640 -0.012 0.000 0.228 181 D C 1.142 177.576 176.300 0.223 0.000 1.116 181 D CA -0.523 53.669 54.000 0.319 0.000 1.023 181 D CB -0.170 40.811 40.800 0.301 0.000 1.100 181 D HN 0.570 nan 8.370 nan 0.000 0.487 182 W N 1.992 123.327 121.300 0.059 0.000 2.525 182 W HA -0.057 4.596 4.660 -0.012 0.000 0.259 182 W C 0.261 176.829 176.519 0.082 0.000 1.253 182 W CA 0.107 57.507 57.345 0.091 0.000 1.262 182 W CB -0.794 28.726 29.460 0.101 0.000 1.122 182 W HN 0.184 nan 8.180 nan 0.000 0.607 183 L N 0.820 121.686 121.223 -0.595 0.000 2.567 183 L HA 0.156 4.489 4.340 -0.012 0.000 0.225 183 L C 2.766 179.465 176.870 -0.286 0.000 1.119 183 L CA 0.055 54.525 54.840 -0.617 0.000 0.871 183 L CB -0.701 40.873 42.059 -0.808 0.000 1.036 183 L HN -0.114 nan 8.230 nan 0.000 0.459 184 R N 0.980 121.346 120.500 -0.222 0.000 2.189 184 R HA -0.267 4.066 4.340 -0.012 0.000 0.252 184 R C 1.346 177.425 176.300 -0.367 0.000 1.134 184 R CA 2.433 58.343 56.100 -0.316 0.000 0.954 184 R CB -0.332 29.720 30.300 -0.414 0.000 0.890 184 R HN 0.349 nan 8.270 nan 0.000 0.443 185 Y N -0.659 119.668 120.300 0.045 0.000 2.468 185 Y HA 0.354 4.896 4.550 -0.012 0.000 0.268 185 Y C 0.753 176.685 175.900 0.053 0.000 1.177 185 Y CA 0.179 58.328 58.100 0.081 0.000 1.265 185 Y CB 0.976 39.578 38.460 0.236 0.000 1.103 185 Y HN 0.466 nan 8.280 nan 0.000 0.522 186 G N 1.493 110.353 108.800 0.100 0.000 2.675 186 G HA2 -0.223 3.730 3.960 -0.012 0.000 0.686 186 G HA3 -0.223 3.730 3.960 -0.012 0.000 0.686 186 G C -1.325 173.663 174.900 0.147 0.000 1.215 186 G CA -0.937 44.187 45.100 0.040 0.000 0.777 186 G HN 0.244 nan 8.290 nan 0.000 0.638 187 N N 1.697 120.419 118.700 0.036 0.000 2.564 187 N HA 0.567 5.300 4.740 -0.012 0.000 0.248 187 N C -0.631 174.894 175.510 0.024 0.000 0.986 187 N CA -2.139 50.957 53.050 0.076 0.000 0.921 187 N CB 1.866 40.329 38.487 -0.039 0.000 1.136 187 N HN 0.249 nan 8.380 nan 0.000 0.509 188 P HA 0.017 nan 4.420 nan 0.000 0.234 188 P C 0.401 177.346 177.300 -0.591 0.000 1.167 188 P CA 0.716 63.519 63.100 -0.496 0.000 0.763 188 P CB 0.056 31.221 31.700 -0.892 0.000 0.835 189 W N 1.485 122.818 121.300 0.055 0.000 2.683 189 W HA 0.106 4.759 4.660 -0.012 0.000 0.267 189 W C 1.354 177.935 176.519 0.103 0.000 1.243 189 W CA -0.341 57.032 57.345 0.046 0.000 1.380 189 W CB -0.183 29.301 29.460 0.040 0.000 1.063 189 W HN -0.045 nan 8.180 nan 0.000 0.599 190 E N 2.009 122.395 120.200 0.310 0.000 2.345 190 E HA 0.361 4.704 4.350 -0.012 0.000 0.259 190 E C -0.606 176.166 176.600 0.288 0.000 1.117 190 E CA -0.595 55.995 56.400 0.318 0.000 0.913 190 E CB 1.397 31.289 29.700 0.320 0.000 1.057 190 E HN -0.225 nan 8.360 nan 0.000 0.432 191 K N 0.857 121.435 120.400 0.297 0.000 2.615 191 K HA 0.439 4.752 4.320 -0.012 0.000 0.249 191 K C -1.446 175.159 176.600 0.008 0.000 0.977 191 K CA -0.335 56.050 56.287 0.164 0.000 0.833 191 K CB 1.773 34.366 32.500 0.155 0.000 1.208 191 K HN 0.681 nan 8.250 nan 0.000 0.443 192 A N 4.283 126.983 122.820 -0.200 0.000 2.462 192 A HA 0.383 4.695 4.320 -0.012 0.000 0.243 192 A C -0.443 176.948 177.584 -0.321 0.000 1.076 192 A CA -0.132 51.514 52.037 -0.652 0.000 0.773 192 A CB 0.215 18.776 19.000 -0.733 0.000 1.010 192 A HN 0.749 nan 8.150 nan 0.000 0.493 193 R N 3.544 123.873 120.500 -0.286 0.000 2.494 193 R HA 0.226 4.559 4.340 -0.012 0.000 0.284 193 R C -2.645 173.593 176.300 -0.103 0.000 1.525 193 R CA -1.425 54.600 56.100 -0.125 0.000 1.460 193 R CB 1.400 31.722 30.300 0.036 0.000 1.134 193 R HN 0.560 nan 8.270 nan 0.000 0.592 194 P HA -0.035 nan 4.420 nan 0.000 0.252 194 P C 0.045 177.289 177.300 -0.093 0.000 1.265 194 P CA 0.625 63.675 63.100 -0.082 0.000 0.775 194 P CB 0.327 31.976 31.700 -0.085 0.000 1.128 195 E N -1.061 119.022 120.200 -0.194 0.000 2.389 195 E HA 0.085 4.428 4.350 -0.012 0.000 0.199 195 E C 0.827 177.233 176.600 -0.324 0.000 0.978 195 E CA 0.263 56.464 56.400 -0.332 0.000 0.912 195 E CB -0.355 29.004 29.700 -0.568 0.000 0.907 195 E HN 0.270 nan 8.360 nan 0.000 0.494 196 F N 2.176 122.145 119.950 0.031 0.000 2.668 196 F HA 0.217 4.737 4.527 -0.012 0.000 0.297 196 F C 0.415 176.315 175.800 0.166 0.000 1.124 196 F CA -0.504 57.548 58.000 0.087 0.000 1.353 196 F CB 0.739 39.787 39.000 0.081 0.000 0.992 196 F HN -0.228 nan 8.300 nan 0.000 0.524 197 T N 2.835 117.540 114.554 0.252 0.000 2.928 197 T HA 0.210 4.553 4.350 -0.012 0.000 0.305 197 T C -0.231 174.600 174.700 0.219 0.000 1.035 197 T CA 0.362 62.615 62.100 0.256 0.000 1.145 197 T CB 0.750 69.713 68.868 0.158 0.000 0.963 197 T HN -0.132 nan 8.240 nan 0.000 0.545 198 L N 5.301 126.641 121.223 0.195 0.000 2.371 198 L HA 0.629 4.962 4.340 -0.012 0.000 0.262 198 L C -2.301 174.565 176.870 -0.006 0.000 1.006 198 L CA -2.551 52.325 54.840 0.059 0.000 0.818 198 L CB 2.045 44.075 42.059 -0.048 0.000 1.354 198 L HN 0.385 nan 8.230 nan 0.000 0.415 199 P HA 0.462 nan 4.420 nan 0.000 0.296 199 P C -1.327 175.866 177.300 -0.179 0.000 1.301 199 P CA -0.524 62.520 63.100 -0.093 0.000 0.862 199 P CB 2.038 33.684 31.700 -0.090 0.000 1.046 200 V N 3.888 123.678 119.914 -0.206 0.000 2.656 200 V HA 0.343 4.455 4.120 -0.012 0.000 0.307 200 V C 0.120 175.991 176.094 -0.372 0.000 1.051 200 V CA -0.607 61.557 62.300 -0.225 0.000 0.893 200 V CB 1.524 33.281 31.823 -0.111 0.000 0.999 200 V HN 0.606 nan 8.190 nan 0.000 0.426 201 H N 3.854 122.753 119.070 -0.284 0.000 2.479 201 H HA 0.619 5.168 4.556 -0.012 0.000 0.335 201 H C -1.336 173.609 175.328 -0.639 0.000 1.142 201 H CA -0.167 55.599 56.048 -0.469 0.000 1.234 201 H CB 1.885 31.120 29.762 -0.879 0.000 1.503 201 H HN 0.467 nan 8.280 nan 0.000 0.510 202 F N 0.274 120.220 119.950 -0.007 0.000 2.599 202 F HA 0.208 4.727 4.527 -0.012 0.000 0.311 202 F C -0.306 175.570 175.800 0.127 0.000 1.076 202 F CA -0.544 57.468 58.000 0.021 0.000 0.937 202 F CB 1.101 40.053 39.000 -0.080 0.000 1.282 202 F HN 0.571 nan 8.300 nan 0.000 0.460 203 Y N 0.291 120.847 120.300 0.426 0.000 2.896 203 Y HA -0.004 4.539 4.550 -0.012 0.000 0.466 203 Y C 1.358 177.478 175.900 0.367 0.000 1.197 203 Y CA 0.629 58.908 58.100 0.298 0.000 2.513 203 Y CB -1.900 36.661 38.460 0.168 0.000 1.232 203 Y HN 1.306 nan 8.280 nan 0.000 0.632 204 G N 0.701 109.745 108.800 0.406 0.000 2.593 204 G HA2 0.134 4.087 3.960 -0.012 0.000 0.237 204 G HA3 0.134 4.087 3.960 -0.012 0.000 0.237 204 G C -0.527 174.569 174.900 0.326 0.000 1.312 204 G CA 0.976 46.243 45.100 0.278 0.000 0.896 204 G HN 1.390 nan 8.290 nan 0.000 0.574 205 R N -2.590 118.100 120.500 0.317 0.000 2.747 205 R HA 0.710 5.043 4.340 -0.012 0.000 0.272 205 R C -1.588 174.834 176.300 0.205 0.000 1.032 205 R CA -0.802 55.427 56.100 0.216 0.000 0.896 205 R CB 1.177 31.554 30.300 0.128 0.000 1.253 205 R HN 1.012 nan 8.270 nan 0.000 0.461 206 V N 0.871 120.824 119.914 0.064 0.000 2.417 206 V HA 0.379 4.492 4.120 -0.012 0.000 0.291 206 V C -0.353 175.676 176.094 -0.108 0.000 1.024 206 V CA -0.624 61.643 62.300 -0.055 0.000 0.861 206 V CB 1.448 33.158 31.823 -0.189 0.000 0.985 206 V HN 0.672 nan 8.190 nan 0.000 0.436 207 E N 3.138 123.263 120.200 -0.124 0.000 2.151 207 E HA 0.377 4.720 4.350 -0.012 0.000 0.275 207 E C -0.952 175.540 176.600 -0.180 0.000 0.936 207 E CA -0.680 55.670 56.400 -0.083 0.000 0.777 207 E CB 0.903 30.595 29.700 -0.014 0.000 1.108 207 E HN 0.652 nan 8.360 nan 0.000 0.401 208 H N 2.954 122.037 119.070 0.022 0.000 2.741 208 H HA 0.125 4.673 4.556 -0.012 0.000 0.282 208 H C 0.375 175.711 175.328 0.014 0.000 1.122 208 H CA -0.130 55.926 56.048 0.014 0.000 1.293 208 H CB 0.538 30.304 29.762 0.006 0.000 1.415 208 H HN 0.556 nan 8.280 nan 0.000 0.472 209 T N -0.690 113.919 114.554 0.092 0.000 2.888 209 T HA 0.139 4.482 4.350 -0.012 0.000 0.283 209 T C 1.639 176.376 174.700 0.062 0.000 1.013 209 T CA -0.356 61.783 62.100 0.065 0.000 0.938 209 T CB 0.781 69.671 68.868 0.038 0.000 1.298 209 T HN 0.358 nan 8.240 nan 0.000 0.580 210 S N 0.079 115.805 115.700 0.043 0.000 2.359 210 S HA -0.119 4.344 4.470 -0.012 0.000 0.224 210 S C 1.233 175.854 174.600 0.035 0.000 1.035 210 S CA 1.036 59.257 58.200 0.035 0.000 1.018 210 S CB -0.516 62.700 63.200 0.027 0.000 0.876 210 S HN 0.688 nan 8.310 nan 0.000 0.448 211 Q N 0.844 120.665 119.800 0.034 0.000 2.647 211 Q HA 0.573 4.905 4.340 -0.012 0.000 0.400 211 Q C 0.055 176.076 176.000 0.036 0.000 0.959 211 Q CA 0.285 56.108 55.803 0.033 0.000 1.079 211 Q CB 0.585 29.338 28.738 0.026 0.000 1.351 211 Q HN 0.602 nan 8.270 nan 0.000 0.411 212 G N -0.416 108.415 108.800 0.051 0.000 2.440 212 G HA2 0.288 4.241 3.960 -0.012 0.000 0.684 212 G HA3 0.288 4.241 3.960 -0.012 0.000 0.684 212 G C -1.112 173.818 174.900 0.049 0.000 1.309 212 G CA -0.598 44.535 45.100 0.054 0.000 0.931 212 G HN 0.452 nan 8.290 nan 0.000 0.612 213 A N 0.160 122.996 122.820 0.026 0.000 2.286 213 A HA 0.858 5.171 4.320 -0.012 0.000 0.286 213 A C 0.325 177.862 177.584 -0.078 0.000 1.097 213 A CA -0.037 51.942 52.037 -0.096 0.000 0.821 213 A CB 0.969 19.865 19.000 -0.173 0.000 1.076 213 A HN 0.792 nan 8.150 nan 0.000 0.490 214 K N 0.349 120.688 120.400 -0.101 0.000 2.482 214 K HA 0.215 4.528 4.320 -0.012 0.000 0.251 214 K C -1.844 174.788 176.600 0.053 0.000 0.936 214 K CA -0.395 55.882 56.287 -0.018 0.000 0.791 214 K CB 1.921 34.414 32.500 -0.011 0.000 1.213 214 K HN 0.720 nan 8.250 nan 0.000 0.428 215 W N 4.914 126.126 121.300 -0.147 0.000 2.332 215 W HA 0.388 5.041 4.660 -0.012 0.000 0.306 215 W C -1.056 175.391 176.519 -0.120 0.000 1.149 215 W CA -0.629 56.631 57.345 -0.142 0.000 1.271 215 W CB 0.482 29.843 29.460 -0.166 0.000 1.243 215 W HN 0.193 nan 8.180 nan 0.000 0.459 216 V N 6.341 126.339 119.914 0.140 0.000 3.074 216 V HA 0.334 4.446 4.120 -0.012 0.000 0.314 216 V C -0.471 175.597 176.094 -0.042 0.000 1.117 216 V CA -0.625 61.665 62.300 -0.017 0.000 1.014 216 V CB 2.101 33.940 31.823 0.026 0.000 1.057 216 V HN 0.455 nan 8.190 nan 0.000 0.438 217 D N 1.425 121.792 120.400 -0.056 0.000 2.686 217 D HA -0.130 4.502 4.640 -0.012 0.000 0.235 217 D C 0.401 176.656 176.300 -0.076 0.000 1.160 217 D CA 1.363 55.332 54.000 -0.051 0.000 0.645 217 D CB -1.151 39.647 40.800 -0.004 0.000 1.039 217 D HN 0.841 nan 8.370 nan 0.000 0.423 218 T N -3.072 111.391 114.554 -0.150 0.000 2.918 218 T HA 0.410 4.753 4.350 -0.012 0.000 0.283 218 T C 0.220 174.888 174.700 -0.052 0.000 1.001 218 T CA -0.903 61.114 62.100 -0.138 0.000 1.041 218 T CB 2.689 71.316 68.868 -0.402 0.000 1.028 218 T HN 0.199 nan 8.240 nan 0.000 0.511 219 Q N 1.310 121.147 119.800 0.063 0.000 2.257 219 Q HA 0.511 4.844 4.340 -0.012 0.000 0.255 219 Q C -1.393 174.656 176.000 0.082 0.000 0.920 219 Q CA -0.792 55.048 55.803 0.062 0.000 0.927 219 Q CB 1.224 30.076 28.738 0.190 0.000 1.229 219 Q HN 0.628 nan 8.270 nan 0.000 0.433 220 V N 4.263 124.181 119.914 0.006 0.000 2.472 220 V HA 0.481 4.594 4.120 -0.012 0.000 0.290 220 V C -0.353 175.784 176.094 0.072 0.000 1.037 220 V CA -0.577 61.684 62.300 -0.065 0.000 0.908 220 V CB 1.767 33.507 31.823 -0.138 0.000 0.985 220 V HN 0.643 nan 8.190 nan 0.000 0.454 221 V N 5.498 125.485 119.914 0.122 0.000 2.789 221 V HA 0.501 4.614 4.120 -0.012 0.000 0.311 221 V C -0.326 175.883 176.094 0.191 0.000 1.073 221 V CA -0.630 61.790 62.300 0.201 0.000 0.921 221 V CB 2.051 34.072 31.823 0.331 0.000 1.009 221 V HN 0.628 nan 8.190 nan 0.000 0.426 222 L N 3.138 124.479 121.223 0.197 0.000 2.357 222 L HA 0.818 5.151 4.340 -0.012 0.000 0.273 222 L C 0.328 177.409 176.870 0.351 0.000 1.080 222 L CA -0.492 54.468 54.840 0.200 0.000 0.803 222 L CB 1.547 43.701 42.059 0.159 0.000 1.174 222 L HN 0.759 nan 8.230 nan 0.000 0.443 223 A N 4.252 127.244 122.820 0.287 0.000 2.285 223 A HA 0.608 4.921 4.320 -0.012 0.000 0.310 223 A C -0.600 177.309 177.584 0.542 0.000 1.266 223 A CA -0.459 51.812 52.037 0.390 0.000 0.832 223 A CB 1.042 19.877 19.000 -0.275 0.000 1.163 223 A HN 0.775 nan 8.150 nan 0.000 0.499 224 M N 5.855 125.802 119.600 0.578 0.000 2.180 224 M HA 0.498 4.971 4.480 -0.012 0.000 0.350 224 M C -2.601 173.954 176.300 0.426 0.000 1.125 224 M CA -2.014 53.548 55.300 0.437 0.000 1.031 224 M CB 2.020 34.811 32.600 0.317 0.000 1.623 224 M HN 0.352 nan 8.290 nan 0.000 0.451 225 P HA 0.286 nan 4.420 nan 0.000 0.286 225 P C -1.955 175.281 177.300 -0.108 0.000 1.261 225 P CA -0.089 62.885 63.100 -0.209 0.000 0.821 225 P CB 0.607 31.953 31.700 -0.589 0.000 1.013 226 Y N 0.465 120.684 120.300 -0.136 0.000 2.338 226 Y HA 0.324 4.867 4.550 -0.012 0.000 0.333 226 Y C 0.041 175.931 175.900 -0.017 0.000 0.968 226 Y CA -0.337 57.751 58.100 -0.019 0.000 1.123 226 Y CB 1.387 39.867 38.460 0.034 0.000 1.165 226 Y HN 0.215 nan 8.280 nan 0.000 0.452 227 D N 1.956 122.465 120.400 0.182 0.000 2.198 227 D HA 0.424 5.057 4.640 -0.012 0.000 0.245 227 D C -0.565 175.986 176.300 0.418 0.000 1.079 227 D CA -0.158 53.999 54.000 0.261 0.000 0.854 227 D CB 1.706 42.676 40.800 0.283 0.000 1.148 227 D HN 0.363 nan 8.370 nan 0.000 0.456 228 T N 3.170 117.889 114.554 0.276 0.000 2.824 228 T HA 0.473 4.816 4.350 -0.012 0.000 0.282 228 T C -2.535 172.044 174.700 -0.203 0.000 0.993 228 T CA -1.475 60.693 62.100 0.113 0.000 0.967 228 T CB 2.056 70.970 68.868 0.077 0.000 0.960 228 T HN 0.173 nan 8.240 nan 0.000 0.441 229 P HA 0.320 nan 4.420 nan 0.000 0.275 229 P C -0.993 175.971 177.300 -0.560 0.000 1.227 229 P CA -0.389 62.012 63.100 -1.164 0.000 0.781 229 P CB 0.832 31.615 31.700 -1.529 0.000 0.906 230 V N 5.134 124.776 119.914 -0.453 0.000 2.327 230 V HA 0.249 4.361 4.120 -0.012 0.000 0.272 230 V C -2.085 173.872 176.094 -0.228 0.000 1.019 230 V CA -1.861 60.278 62.300 -0.269 0.000 0.814 230 V CB 1.342 33.060 31.823 -0.175 0.000 1.040 230 V HN 0.548 nan 8.190 nan 0.000 0.440 231 P HA 0.258 nan 4.420 nan 0.000 0.280 231 P C 0.381 177.629 177.300 -0.086 0.000 1.244 231 P CA 0.339 63.347 63.100 -0.153 0.000 0.784 231 P CB 1.606 33.212 31.700 -0.156 0.000 0.913 232 G N 2.349 111.117 108.800 -0.053 0.000 2.599 232 G HA2 0.142 4.095 3.960 -0.012 0.000 0.264 232 G HA3 0.142 4.095 3.960 -0.012 0.000 0.264 232 G C -1.177 173.737 174.900 0.022 0.000 1.200 232 G CA -0.580 44.518 45.100 -0.002 0.000 0.896 232 G HN 0.521 nan 8.290 nan 0.000 0.536 233 Y N 0.566 120.828 120.300 -0.062 0.000 2.584 233 Y HA 0.274 4.817 4.550 -0.012 0.000 0.351 233 Y C 1.275 177.139 175.900 -0.059 0.000 1.030 233 Y CA -0.202 57.857 58.100 -0.068 0.000 1.332 233 Y CB 0.121 38.538 38.460 -0.070 0.000 1.148 233 Y HN 0.727 nan 8.280 nan 0.000 0.528 234 R N 2.720 122.897 120.500 -0.539 0.000 3.741 234 R HA -0.320 4.012 4.340 -0.012 0.000 0.292 234 R C 0.026 176.184 176.300 -0.236 0.000 1.176 234 R CA 1.536 57.350 56.100 -0.476 0.000 0.794 234 R CB -1.921 27.916 30.300 -0.772 0.000 1.213 234 R HN 0.948 nan 8.270 nan 0.000 0.494 235 N N -1.249 117.368 118.700 -0.138 0.000 2.177 235 N HA 0.075 4.808 4.740 -0.012 0.000 0.218 235 N C -0.288 175.181 175.510 -0.068 0.000 1.182 235 N CA -0.375 52.628 53.050 -0.078 0.000 0.882 235 N CB 0.525 38.993 38.487 -0.033 0.000 1.052 235 N HN 0.078 nan 8.380 nan 0.000 0.519 236 N N -0.171 118.484 118.700 -0.077 0.000 2.741 236 N HA -0.131 4.602 4.740 -0.012 0.000 0.250 236 N C -1.189 174.288 175.510 -0.055 0.000 1.115 236 N CA 0.538 53.552 53.050 -0.061 0.000 0.724 236 N CB -1.318 37.134 38.487 -0.059 0.000 1.090 236 N HN 0.207 nan 8.380 nan 0.000 0.558 237 V N 0.883 120.769 119.914 -0.047 0.000 2.435 237 V HA 0.561 4.674 4.120 -0.012 0.000 0.290 237 V C 0.345 176.415 176.094 -0.040 0.000 1.030 237 V CA -0.627 61.654 62.300 -0.032 0.000 0.881 237 V CB 2.382 34.210 31.823 0.008 0.000 0.983 237 V HN -0.041 nan 8.190 nan 0.000 0.445 238 V N 5.103 124.997 119.914 -0.033 0.000 2.488 238 V HA 0.473 4.586 4.120 -0.012 0.000 0.293 238 V C -0.187 175.893 176.094 -0.023 0.000 1.027 238 V CA -0.849 61.393 62.300 -0.096 0.000 0.862 238 V CB 1.547 33.284 31.823 -0.144 0.000 1.008 238 V HN 0.826 nan 8.190 nan 0.000 0.428 239 N N 1.868 120.528 118.700 -0.067 0.000 2.476 239 N HA 0.612 5.344 4.740 -0.012 0.000 0.287 239 N C -0.105 175.396 175.510 -0.016 0.000 1.262 239 N CA -0.312 52.727 53.050 -0.018 0.000 0.980 239 N CB 1.309 39.747 38.487 -0.082 0.000 1.163 239 N HN 0.620 nan 8.380 nan 0.000 0.592 240 T N 0.703 115.258 114.554 0.001 0.000 2.861 240 T HA 0.406 4.749 4.350 -0.012 0.000 0.287 240 T C -0.393 174.298 174.700 -0.015 0.000 1.003 240 T CA -0.517 61.662 62.100 0.130 0.000 0.977 240 T CB 1.178 70.267 68.868 0.368 0.000 0.996 240 T HN 0.310 nan 8.240 nan 0.000 0.448 241 M N 3.701 123.265 119.600 -0.061 0.000 2.066 241 M HA 0.499 4.972 4.480 -0.012 0.000 0.340 241 M C -0.478 175.708 176.300 -0.189 0.000 1.053 241 M CA -0.741 54.436 55.300 -0.206 0.000 0.983 241 M CB 0.611 33.043 32.600 -0.279 0.000 1.520 241 M HN 0.475 nan 8.290 nan 0.000 0.428 242 R N 4.742 125.037 120.500 -0.343 0.000 2.229 242 R HA 0.532 4.864 4.340 -0.012 0.000 0.332 242 R C -1.928 174.147 176.300 -0.374 0.000 0.989 242 R CA -0.563 55.299 56.100 -0.397 0.000 0.842 242 R CB 0.818 30.726 30.300 -0.654 0.000 1.119 242 R HN 0.635 nan 8.270 nan 0.000 0.456 243 L N 5.690 126.770 121.223 -0.239 0.000 2.313 243 L HA 0.452 4.785 4.340 -0.012 0.000 0.283 243 L C -1.011 175.815 176.870 -0.072 0.000 1.013 243 L CA -0.562 54.222 54.840 -0.094 0.000 0.816 243 L CB 1.111 43.187 42.059 0.030 0.000 1.236 243 L HN 0.620 nan 8.230 nan 0.000 0.419 244 W N 2.376 123.811 121.300 0.224 0.000 2.315 244 W HA 0.568 5.220 4.660 -0.012 0.000 0.316 244 W C 0.613 177.361 176.519 0.383 0.000 1.211 244 W CA -0.167 57.341 57.345 0.272 0.000 1.201 244 W CB 1.246 30.752 29.460 0.076 0.000 1.184 244 W HN 0.410 nan 8.180 nan 0.000 0.544 245 S N 1.624 117.732 115.700 0.682 0.000 2.482 245 S HA 0.752 5.215 4.470 -0.012 0.000 0.303 245 S C -0.438 174.502 174.600 0.566 0.000 1.091 245 S CA -0.731 57.763 58.200 0.489 0.000 1.057 245 S CB 0.645 64.079 63.200 0.390 0.000 1.031 245 S HN 0.509 nan 8.310 nan 0.000 0.485 246 A N 4.665 127.651 122.820 0.276 0.000 2.366 246 A HA 0.652 4.964 4.320 -0.012 0.000 0.272 246 A C -0.099 177.578 177.584 0.155 0.000 1.135 246 A CA -0.240 51.870 52.037 0.121 0.000 0.804 246 A CB 0.370 19.188 19.000 -0.303 0.000 1.064 246 A HN 0.620 nan 8.150 nan 0.000 0.499 247 K N 1.046 121.561 120.400 0.192 0.000 2.427 247 K HA 0.622 4.935 4.320 -0.012 0.000 0.252 247 K C -0.648 176.025 176.600 0.122 0.000 0.931 247 K CA -0.429 55.947 56.287 0.149 0.000 0.793 247 K CB 2.265 34.868 32.500 0.172 0.000 1.211 247 K HN 0.832 nan 8.250 nan 0.000 0.426 248 A N 4.228 127.101 122.820 0.089 0.000 2.327 248 A HA 0.523 4.835 4.320 -0.012 0.000 0.283 248 A C -2.209 175.425 177.584 0.083 0.000 1.127 248 A CA -1.225 50.859 52.037 0.079 0.000 0.810 248 A CB -0.053 18.982 19.000 0.058 0.000 1.066 248 A HN 0.338 nan 8.150 nan 0.000 0.492 249 P HA 0.149 nan 4.420 nan 0.000 0.274 249 P C -0.245 177.101 177.300 0.077 0.000 1.231 249 P CA -0.278 62.873 63.100 0.086 0.000 0.790 249 P CB 0.558 32.318 31.700 0.101 0.000 0.951 250 N N 0.274 119.010 118.700 0.061 0.000 2.463 250 N HA -0.095 4.638 4.740 -0.012 0.000 0.181 250 N C 1.124 176.661 175.510 0.045 0.000 1.078 250 N CA 0.184 53.264 53.050 0.050 0.000 0.902 250 N CB -0.072 38.439 38.487 0.040 0.000 0.970 250 N HN 0.591 nan 8.380 nan 0.000 0.451 251 D N 1.086 121.511 120.400 0.041 0.000 2.099 251 D HA -0.123 4.510 4.640 -0.012 0.000 0.278 251 D C 1.441 177.765 176.300 0.041 0.000 1.140 251 D CA 0.336 54.333 54.000 -0.006 0.000 0.894 251 D CB -0.953 39.806 40.800 -0.068 0.000 0.945 251 D HN 0.076 nan 8.370 nan 0.000 0.338 252 F N 0.689 120.658 119.950 0.031 0.000 2.135 252 F HA -0.246 4.274 4.527 -0.012 0.000 0.300 252 F C 1.584 177.409 175.800 0.040 0.000 1.074 252 F CA 1.365 59.390 58.000 0.041 0.000 1.262 252 F CB -0.433 38.591 39.000 0.039 0.000 1.013 252 F HN 0.070 nan 8.300 nan 0.000 0.489 253 N N 0.564 119.400 118.700 0.227 0.000 2.906 253 N HA 0.059 4.792 4.740 -0.012 0.000 0.282 253 N C 0.596 176.161 175.510 0.092 0.000 1.293 253 N CA 0.098 53.228 53.050 0.133 0.000 1.059 253 N CB 0.058 38.601 38.487 0.093 0.000 1.388 253 N HN 0.137 nan 8.380 nan 0.000 0.533 254 L N -0.891 120.402 121.223 0.116 0.000 1.839 254 L HA -0.099 4.233 4.340 -0.012 0.000 0.210 254 L C 1.355 178.292 176.870 0.113 0.000 1.249 254 L CA 0.823 55.717 54.840 0.090 0.000 1.364 254 L CB -0.953 41.146 42.059 0.068 0.000 2.621 254 L HN 0.238 nan 8.230 nan 0.000 0.494 255 K N 0.335 120.781 120.400 0.076 0.000 2.288 255 K HA -0.048 4.265 4.320 -0.012 0.000 0.201 255 K C 0.515 177.174 176.600 0.098 0.000 1.048 255 K CA 1.114 57.394 56.287 -0.012 0.000 0.956 255 K CB -0.058 32.303 32.500 -0.232 0.000 0.746 255 K HN 0.151 nan 8.250 nan 0.000 0.461 256 D N 2.177 122.755 120.400 0.297 0.000 2.429 256 D HA -0.029 4.603 4.640 -0.012 0.000 0.253 256 D C -0.131 176.398 176.300 0.381 0.000 1.294 256 D CA -0.097 54.173 54.000 0.451 0.000 1.063 256 D CB -0.159 40.911 40.800 0.451 0.000 1.096 256 D HN 0.193 nan 8.370 nan 0.000 0.516 257 F N 1.288 121.287 119.950 0.082 0.000 2.331 257 F HA 0.277 4.796 4.527 -0.012 0.000 0.293 257 F C 0.612 176.444 175.800 0.054 0.000 1.277 257 F CA -1.876 56.158 58.000 0.057 0.000 1.204 257 F CB -0.394 38.626 39.000 0.034 0.000 1.374 257 F HN 0.338 nan 8.300 nan 0.000 0.520 258 N N -0.538 118.055 118.700 -0.178 0.000 3.251 258 N HA 0.053 4.786 4.740 -0.012 0.000 0.258 258 N C -1.570 173.882 175.510 -0.097 0.000 1.076 258 N CA 0.511 53.391 53.050 -0.283 0.000 0.671 258 N CB -0.938 37.243 38.487 -0.510 0.000 1.089 258 N HN 0.850 nan 8.380 nan 0.000 0.583 259 V N -1.530 118.375 119.914 -0.016 0.000 3.648 259 V HA -0.049 4.063 4.120 -0.012 0.000 0.521 259 V C 1.417 177.521 176.094 0.018 0.000 0.682 259 V CA 1.616 63.921 62.300 0.008 0.000 2.077 259 V CB -0.903 30.914 31.823 -0.010 0.000 2.491 259 V HN 1.068 nan 8.190 nan 0.000 0.514 260 G N 0.562 109.380 108.800 0.030 0.000 3.511 260 G HA2 0.646 4.598 3.960 -0.012 0.000 0.218 260 G HA3 0.646 4.598 3.960 -0.012 0.000 0.218 260 G C 0.996 175.917 174.900 0.036 0.000 1.001 260 G CA 1.130 46.246 45.100 0.027 0.000 0.877 260 G HN 3.084 nan 8.290 nan 0.000 0.450 261 G N -1.076 107.760 108.800 0.060 0.000 3.055 261 G HA2 0.266 4.218 3.960 -0.012 0.000 0.685 261 G HA3 0.266 4.218 3.960 -0.012 0.000 0.685 261 G C -0.097 174.863 174.900 0.099 0.000 1.212 261 G CA 0.217 45.363 45.100 0.077 0.000 0.822 261 G HN 1.494 nan 8.290 nan 0.000 0.610 262 Y N 3.207 123.524 120.300 0.028 0.000 2.220 262 Y HA 0.057 4.600 4.550 -0.012 0.000 0.291 262 Y C 2.459 178.375 175.900 0.026 0.000 1.129 262 Y CA 2.017 60.135 58.100 0.030 0.000 1.161 262 Y CB 0.028 38.503 38.460 0.026 0.000 0.997 262 Y HN 0.482 nan 8.280 nan 0.000 0.522 263 I N 0.567 121.099 120.570 -0.063 0.000 2.179 263 I HA -0.273 3.890 4.170 -0.012 0.000 0.242 263 I C 2.355 178.380 176.117 -0.154 0.000 1.088 263 I CA 1.361 62.573 61.300 -0.146 0.000 1.357 263 I CB -1.337 36.679 38.000 0.026 0.000 1.051 263 I HN 0.350 nan 8.210 nan 0.000 0.409 264 Q N 0.736 120.492 119.800 -0.072 0.000 2.096 264 Q HA -0.137 4.196 4.340 -0.012 0.000 0.204 264 Q C 2.364 178.320 176.000 -0.074 0.000 0.982 264 Q CA 2.029 57.801 55.803 -0.052 0.000 0.850 264 Q CB -0.394 28.334 28.738 -0.016 0.000 0.901 264 Q HN 0.534 nan 8.270 nan 0.000 0.422 265 A N -0.281 122.483 122.820 -0.094 0.000 1.940 265 A HA -0.137 4.176 4.320 -0.012 0.000 0.219 265 A C 2.389 179.901 177.584 -0.119 0.000 1.176 265 A CA 1.686 53.675 52.037 -0.080 0.000 0.631 265 A CB -0.591 18.375 19.000 -0.056 0.000 0.814 265 A HN 0.238 nan 8.150 nan 0.000 0.446 266 V N 0.024 119.800 119.914 -0.229 0.000 2.379 266 V HA -0.193 3.920 4.120 -0.012 0.000 0.245 266 V C 2.490 178.520 176.094 -0.107 0.000 1.044 266 V CA 1.700 63.879 62.300 -0.202 0.000 1.036 266 V CB -0.658 30.964 31.823 -0.335 0.000 0.664 266 V HN 0.566 nan 8.190 nan 0.000 0.453 267 L N -0.236 120.929 121.223 -0.096 0.000 2.201 267 L HA -0.135 4.198 4.340 -0.012 0.000 0.212 267 L C 1.903 178.754 176.870 -0.032 0.000 1.105 267 L CA 1.193 56.003 54.840 -0.050 0.000 0.775 267 L CB -0.610 41.424 42.059 -0.042 0.000 0.913 267 L HN 0.327 nan 8.230 nan 0.000 0.440 268 D N -0.066 120.313 120.400 -0.035 0.000 2.363 268 D HA -0.059 4.574 4.640 -0.012 0.000 0.226 268 D C 2.096 178.390 176.300 -0.010 0.000 1.020 268 D CA 0.413 54.401 54.000 -0.019 0.000 0.892 268 D CB 0.065 40.855 40.800 -0.017 0.000 0.900 268 D HN 0.197 nan 8.370 nan 0.000 0.531 269 R N 0.309 120.802 120.500 -0.011 0.000 2.148 269 R HA 0.021 4.353 4.340 -0.012 0.000 0.227 269 R C 0.304 176.610 176.300 0.008 0.000 1.103 269 R CA 0.492 56.594 56.100 0.004 0.000 0.983 269 R CB -0.013 30.290 30.300 0.004 0.000 0.874 269 R HN 0.050 nan 8.270 nan 0.000 0.451 270 N N 1.086 119.789 118.700 0.006 0.000 3.050 270 N HA 0.026 4.758 4.740 -0.012 0.000 0.289 270 N C 0.032 175.545 175.510 0.005 0.000 1.209 270 N CA 0.467 53.524 53.050 0.012 0.000 1.154 270 N CB 1.174 39.670 38.487 0.016 0.000 1.444 270 N HN 0.108 nan 8.380 nan 0.000 0.529 271 L N -0.326 120.897 121.223 -0.001 0.000 2.598 271 L HA 0.191 4.524 4.340 -0.012 0.000 0.284 271 L C 1.589 178.442 176.870 -0.029 0.000 1.073 271 L CA 0.456 55.290 54.840 -0.010 0.000 1.361 271 L CB -0.355 41.698 42.059 -0.010 0.000 2.544 271 L HN 0.261 nan 8.230 nan 0.000 0.561 272 A N -0.675 122.131 122.820 -0.023 0.000 2.044 272 A HA 0.096 4.409 4.320 -0.012 0.000 0.213 272 A C 1.642 179.190 177.584 -0.060 0.000 1.169 272 A CA 0.936 52.947 52.037 -0.043 0.000 0.724 272 A CB -0.136 18.867 19.000 0.005 0.000 0.840 272 A HN 0.431 nan 8.150 nan 0.000 0.463 273 E N 0.129 120.315 120.200 -0.024 0.000 2.478 273 E HA -0.014 4.329 4.350 -0.012 0.000 0.194 273 E C 0.690 177.281 176.600 -0.015 0.000 1.045 273 E CA -0.127 56.264 56.400 -0.016 0.000 0.868 273 E CB -0.040 29.675 29.700 0.025 0.000 0.885 273 E HN 0.374 nan 8.360 nan 0.000 0.505 274 N N 0.952 119.642 118.700 -0.016 0.000 2.512 274 N HA -0.015 4.718 4.740 -0.012 0.000 0.183 274 N C 1.472 176.984 175.510 0.004 0.000 1.073 274 N CA 0.453 53.511 53.050 0.015 0.000 0.911 274 N CB 0.082 38.576 38.487 0.012 0.000 0.964 274 N HN 0.257 nan 8.380 nan 0.000 0.447 275 I N -0.032 120.484 120.570 -0.091 0.000 2.361 275 I HA -0.194 3.968 4.170 -0.012 0.000 0.251 275 I C 1.091 177.168 176.117 -0.067 0.000 1.133 275 I CA 1.035 62.246 61.300 -0.148 0.000 1.413 275 I CB -0.043 37.707 38.000 -0.418 0.000 1.073 275 I HN 0.097 nan 8.210 nan 0.000 0.424 276 S N -0.705 114.961 115.700 -0.056 0.000 2.601 276 S HA 0.224 4.687 4.470 -0.012 0.000 0.244 276 S C 1.342 176.069 174.600 0.212 0.000 1.001 276 S CA -0.627 57.616 58.200 0.072 0.000 0.984 276 S CB 0.339 63.553 63.200 0.023 0.000 0.842 276 S HN 0.192 nan 8.310 nan 0.000 0.474 277 R N 1.312 121.947 120.500 0.225 0.000 2.062 277 R HA 0.293 4.626 4.340 -0.012 0.000 0.226 277 R C 0.461 177.017 176.300 0.426 0.000 1.125 277 R CA 1.182 57.457 56.100 0.292 0.000 0.966 277 R CB -0.230 30.209 30.300 0.231 0.000 0.861 277 R HN 0.398 nan 8.270 nan 0.000 0.433 278 V N 0.196 120.317 119.914 0.346 0.000 2.971 278 V HA 0.408 4.521 4.120 -0.012 0.000 0.309 278 V C -1.537 174.523 176.094 -0.057 0.000 1.130 278 V CA -1.360 61.069 62.300 0.216 0.000 0.964 278 V CB 1.839 33.712 31.823 0.084 0.000 1.029 278 V HN 0.186 nan 8.190 nan 0.000 0.427 279 L N 5.623 126.594 121.223 -0.420 0.000 2.371 279 L HA 0.537 4.870 4.340 -0.012 0.000 0.272 279 L C -1.004 175.709 176.870 -0.261 0.000 1.124 279 L CA 0.290 54.684 54.840 -0.743 0.000 0.816 279 L CB 0.890 42.420 42.059 -0.882 0.000 1.129 279 L HN 0.690 nan 8.230 nan 0.000 0.448 280 Y N 5.945 126.155 120.300 -0.151 0.000 2.402 280 Y HA 0.257 4.799 4.550 -0.012 0.000 0.333 280 Y C -1.459 174.430 175.900 -0.018 0.000 1.076 280 Y CA -1.435 56.649 58.100 -0.027 0.000 1.299 280 Y CB 0.525 38.995 38.460 0.016 0.000 1.197 280 Y HN 0.555 nan 8.280 nan 0.000 0.517 281 P HA 0.014 nan 4.420 nan 0.000 0.253 281 P C -0.879 176.538 177.300 0.194 0.000 1.508 281 P CA 0.150 63.342 63.100 0.154 0.000 0.883 281 P CB 0.028 31.907 31.700 0.297 0.000 1.519 282 N N 1.346 120.176 118.700 0.216 0.000 2.419 282 N HA 0.158 4.891 4.740 -0.012 0.000 0.264 282 N C -0.638 175.022 175.510 0.250 0.000 1.031 282 N CA 0.112 53.314 53.050 0.252 0.000 0.951 282 N CB 0.900 39.578 38.487 0.318 0.000 1.101 282 N HN 0.071 nan 8.380 nan 0.000 0.488 283 D N 1.137 121.713 120.400 0.295 0.000 2.303 283 D HA 0.219 4.851 4.640 -0.012 0.000 0.236 283 D C -0.261 176.346 176.300 0.512 0.000 1.068 283 D CA -0.318 53.891 54.000 0.349 0.000 0.830 283 D CB 0.285 41.296 40.800 0.350 0.000 1.109 283 D HN 0.291 nan 8.370 nan 0.000 0.496 284 N N 3.013 121.932 118.700 0.365 0.000 2.725 284 N HA -0.254 4.478 4.740 -0.012 0.000 0.251 284 N C -1.377 174.371 175.510 0.398 0.000 1.031 284 N CA 0.762 53.990 53.050 0.297 0.000 0.720 284 N CB -0.807 37.779 38.487 0.165 0.000 0.930 284 N HN 0.390 nan 8.380 nan 0.000 0.543 285 F N 0.545 120.608 119.950 0.188 0.000 2.622 285 F HA 0.410 4.930 4.527 -0.012 0.000 0.318 285 F C -1.400 174.486 175.800 0.143 0.000 1.135 285 F CA -1.063 57.019 58.000 0.138 0.000 1.015 285 F CB 0.934 39.985 39.000 0.085 0.000 1.275 285 F HN -0.021 nan 8.300 nan 0.000 0.457 286 F N 5.953 125.439 119.950 -0.774 0.000 2.415 286 F HA 0.500 5.020 4.527 -0.012 0.000 0.348 286 F C -0.451 174.999 175.800 -0.583 0.000 1.119 286 F CA -0.107 57.559 58.000 -0.557 0.000 1.069 286 F CB 0.778 39.479 39.000 -0.498 0.000 1.124 286 F HN 0.486 nan 8.300 nan 0.000 0.472 287 E N 4.141 123.756 120.200 -0.974 0.000 2.145 287 E HA 0.236 4.578 4.350 -0.012 0.000 0.262 287 E C -0.171 175.688 176.600 -1.235 0.000 0.883 287 E CA -0.665 55.248 56.400 -0.810 0.000 0.748 287 E CB 1.516 31.093 29.700 -0.205 0.000 1.140 287 E HN 0.936 nan 8.360 nan 0.000 0.417 288 G N 4.621 112.635 108.800 -1.310 0.000 3.213 288 G HA2 0.020 3.973 3.960 -0.012 0.000 0.263 288 G HA3 0.020 3.973 3.960 -0.012 0.000 0.263 288 G C 0.082 174.952 174.900 -0.049 0.000 0.829 288 G CA -0.183 44.401 45.100 -0.859 0.000 1.983 288 G HN 0.125 nan 8.290 nan 0.000 0.616 289 K N 0.507 120.928 120.400 0.034 0.000 2.130 289 K HA 0.220 4.532 4.320 -0.012 0.000 0.268 289 K C 0.960 177.688 176.600 0.212 0.000 0.983 289 K CA -0.826 55.542 56.287 0.135 0.000 0.893 289 K CB 2.201 34.776 32.500 0.125 0.000 1.066 289 K HN 0.407 nan 8.250 nan 0.000 0.450 290 E N 1.442 121.728 120.200 0.143 0.000 2.118 290 E HA -0.205 4.138 4.350 -0.012 0.000 0.195 290 E C 1.460 178.076 176.600 0.027 0.000 0.992 290 E CA 0.951 57.382 56.400 0.052 0.000 0.804 290 E CB 0.184 29.921 29.700 0.061 0.000 0.741 290 E HN 0.386 nan 8.360 nan 0.000 0.458 291 L N 1.359 122.645 121.223 0.106 0.000 2.079 291 L HA -0.183 4.150 4.340 -0.012 0.000 0.210 291 L C 2.377 179.337 176.870 0.149 0.000 1.081 291 L CA 1.613 56.538 54.840 0.140 0.000 0.752 291 L CB -0.556 41.659 42.059 0.261 0.000 0.896 291 L HN 0.012 nan 8.230 nan 0.000 0.433 292 R N -0.441 120.101 120.500 0.070 0.000 2.073 292 R HA -0.133 4.199 4.340 -0.012 0.000 0.234 292 R C 2.221 178.561 176.300 0.068 0.000 1.134 292 R CA 1.790 57.869 56.100 -0.035 0.000 0.952 292 R CB -1.327 28.836 30.300 -0.229 0.000 0.850 292 R HN 0.420 nan 8.270 nan 0.000 0.433 293 L N 1.375 122.533 121.223 -0.108 0.000 2.042 293 L HA -0.140 4.193 4.340 -0.012 0.000 0.210 293 L C 1.944 178.757 176.870 -0.095 0.000 1.076 293 L CA 1.925 56.508 54.840 -0.428 0.000 0.749 293 L CB -0.433 41.069 42.059 -0.928 0.000 0.893 293 L HN 0.082 nan 8.230 nan 0.000 0.432 294 K N -1.076 119.316 120.400 -0.013 0.000 2.057 294 K HA -0.188 4.125 4.320 -0.012 0.000 0.207 294 K C 2.084 178.839 176.600 0.258 0.000 1.049 294 K CA 1.765 58.122 56.287 0.116 0.000 0.931 294 K CB -0.147 32.265 32.500 -0.146 0.000 0.714 294 K HN 0.503 nan 8.250 nan 0.000 0.440 295 Q N 0.408 120.327 119.800 0.199 0.000 2.124 295 Q HA -0.179 4.154 4.340 -0.012 0.000 0.202 295 Q C 1.872 178.066 176.000 0.322 0.000 0.977 295 Q CA 1.340 57.315 55.803 0.285 0.000 0.850 295 Q CB 0.013 28.941 28.738 0.317 0.000 0.901 295 Q HN 0.382 nan 8.270 nan 0.000 0.429 296 E N -0.154 120.189 120.200 0.239 0.000 2.072 296 E HA -0.200 4.143 4.350 -0.012 0.000 0.191 296 E C 1.692 178.390 176.600 0.163 0.000 0.985 296 E CA 0.951 57.471 56.400 0.202 0.000 0.801 296 E CB -0.096 29.706 29.700 0.170 0.000 0.750 296 E HN 0.320 nan 8.360 nan 0.000 0.452 297 Y N 0.405 120.745 120.300 0.067 0.000 2.220 297 Y HA -0.204 4.339 4.550 -0.012 0.000 0.291 297 Y C 1.952 177.874 175.900 0.038 0.000 1.129 297 Y CA 1.046 59.134 58.100 -0.021 0.000 1.161 297 Y CB -0.384 38.024 38.460 -0.087 0.000 0.997 297 Y HN 0.019 nan 8.280 nan 0.000 0.522 298 F N -0.228 119.703 119.950 -0.033 0.000 2.065 298 F HA -0.260 4.260 4.527 -0.012 0.000 0.298 298 F C 2.471 178.108 175.800 -0.272 0.000 1.112 298 F CA 2.130 60.075 58.000 -0.092 0.000 1.212 298 F CB -1.043 38.060 39.000 0.171 0.000 0.975 298 F HN -0.063 nan 8.300 nan 0.000 0.476 299 V N -0.455 119.391 119.914 -0.115 0.000 2.515 299 V HA -0.169 3.944 4.120 -0.012 0.000 0.250 299 V C 2.064 177.952 176.094 -0.344 0.000 1.058 299 V CA 1.783 63.951 62.300 -0.222 0.000 1.064 299 V CB -0.308 31.620 31.823 0.176 0.000 0.675 299 V HN 0.277 nan 8.190 nan 0.000 0.461 300 V N 0.386 120.110 119.914 -0.316 0.000 2.323 300 V HA -0.098 4.015 4.120 -0.012 0.000 0.244 300 V C 2.817 178.613 176.094 -0.498 0.000 1.041 300 V CA 1.911 64.017 62.300 -0.325 0.000 1.025 300 V CB -1.030 30.660 31.823 -0.222 0.000 0.656 300 V HN 0.618 nan 8.190 nan 0.000 0.451 301 A N 0.103 122.465 122.820 -0.764 0.000 1.883 301 A HA -0.160 4.153 4.320 -0.012 0.000 0.217 301 A C 2.410 179.603 177.584 -0.652 0.000 1.186 301 A CA 2.335 53.924 52.037 -0.747 0.000 0.624 301 A CB -0.891 17.453 19.000 -1.093 0.000 0.822 301 A HN 0.565 nan 8.150 nan 0.000 0.444 302 A N -1.132 121.131 122.820 -0.928 0.000 1.877 302 A HA -0.076 4.237 4.320 -0.012 0.000 0.216 302 A C 2.318 179.334 177.584 -0.947 0.000 1.186 302 A CA 2.312 53.614 52.037 -1.225 0.000 0.620 302 A CB -1.359 16.267 19.000 -2.290 0.000 0.822 302 A HN 0.436 nan 8.150 nan 0.000 0.443 303 T N 0.425 114.512 114.554 -0.779 0.000 2.720 303 T HA -0.108 4.235 4.350 -0.012 0.000 0.268 303 T C 1.818 176.196 174.700 -0.537 0.000 1.037 303 T CA 1.489 63.252 62.100 -0.560 0.000 1.144 303 T CB -0.364 68.189 68.868 -0.525 0.000 0.864 303 T HN 0.334 nan 8.240 nan 0.000 0.444 304 L N 0.546 121.518 121.223 -0.419 0.000 2.056 304 L HA -0.127 4.206 4.340 -0.012 0.000 0.207 304 L C 2.954 179.694 176.870 -0.217 0.000 1.078 304 L CA 1.342 56.005 54.840 -0.296 0.000 0.749 304 L CB -0.466 41.461 42.059 -0.220 0.000 0.901 304 L HN 0.315 nan 8.230 nan 0.000 0.433 305 Q N -0.548 119.122 119.800 -0.217 0.000 2.096 305 Q HA -0.271 4.062 4.340 -0.012 0.000 0.204 305 Q C 1.759 177.717 176.000 -0.070 0.000 0.982 305 Q CA 1.889 57.621 55.803 -0.119 0.000 0.850 305 Q CB -0.135 28.525 28.738 -0.130 0.000 0.901 305 Q HN 0.407 nan 8.270 nan 0.000 0.422 306 D N 0.353 120.694 120.400 -0.099 0.000 2.144 306 D HA -0.087 4.546 4.640 -0.012 0.000 0.200 306 D C 1.632 177.864 176.300 -0.114 0.000 0.978 306 D CA 0.787 54.768 54.000 -0.032 0.000 0.833 306 D CB 0.011 40.891 40.800 0.135 0.000 0.961 306 D HN 0.168 nan 8.370 nan 0.000 0.470 307 I N -0.006 120.406 120.570 -0.263 0.000 2.202 307 I HA -0.211 3.952 4.170 -0.012 0.000 0.242 307 I C 2.214 178.346 176.117 0.025 0.000 1.091 307 I CA 0.713 61.813 61.300 -0.333 0.000 1.368 307 I CB -0.077 37.571 38.000 -0.586 0.000 1.058 307 I HN 0.039 nan 8.210 nan 0.000 0.410 308 I N 0.270 120.905 120.570 0.109 0.000 2.394 308 I HA -0.259 3.903 4.170 -0.012 0.000 0.251 308 I C 2.750 179.028 176.117 0.269 0.000 1.136 308 I CA 0.967 62.451 61.300 0.306 0.000 1.425 308 I CB -0.356 37.777 38.000 0.221 0.000 1.079 308 I HN 0.197 nan 8.210 nan 0.000 0.425 309 R N 1.244 121.829 120.500 0.141 0.000 2.081 309 R HA -0.194 4.139 4.340 -0.012 0.000 0.235 309 R C 2.439 178.807 176.300 0.112 0.000 1.131 309 R CA 1.507 57.676 56.100 0.116 0.000 0.960 309 R CB -0.226 30.125 30.300 0.085 0.000 0.856 309 R HN 0.215 nan 8.270 nan 0.000 0.436 310 R N -0.527 120.034 120.500 0.101 0.000 2.096 310 R HA -0.163 4.170 4.340 -0.012 0.000 0.235 310 R C 2.156 178.557 176.300 0.169 0.000 1.127 310 R CA 1.720 57.887 56.100 0.112 0.000 0.968 310 R CB -0.372 29.978 30.300 0.084 0.000 0.861 310 R HN 0.273 nan 8.270 nan 0.000 0.440 311 F N 1.634 121.632 119.950 0.080 0.000 2.146 311 F HA -0.096 4.423 4.527 -0.012 0.000 0.298 311 F C 1.689 177.508 175.800 0.032 0.000 1.096 311 F CA 1.451 59.494 58.000 0.072 0.000 1.275 311 F CB -0.062 39.042 39.000 0.174 0.000 1.008 311 F HN -0.154 nan 8.300 nan 0.000 0.480 312 K N 0.074 120.416 120.400 -0.098 0.000 2.281 312 K HA -0.122 4.191 4.320 -0.012 0.000 0.203 312 K C 2.123 178.600 176.600 -0.206 0.000 1.046 312 K CA 1.323 57.469 56.287 -0.235 0.000 0.938 312 K CB -0.251 32.240 32.500 -0.015 0.000 0.737 312 K HN 0.298 nan 8.250 nan 0.000 0.458 313 S N 0.379 116.024 115.700 -0.092 0.000 2.303 313 S HA -0.034 4.429 4.470 -0.012 0.000 0.207 313 S C 0.790 175.337 174.600 -0.088 0.000 1.025 313 S CA -0.046 58.144 58.200 -0.017 0.000 0.953 313 S CB -0.082 63.190 63.200 0.119 0.000 0.932 313 S HN 0.279 nan 8.310 nan 0.000 0.472 325 N N 1.049 119.748 118.700 -0.001 0.000 2.406 325 N HA 0.406 5.139 4.740 -0.012 0.000 0.251 325 N C 0.171 175.747 175.510 0.111 0.000 1.069 325 N CA -0.529 52.578 53.050 0.094 0.000 0.947 325 N CB 0.453 38.987 38.487 0.078 0.000 1.111 325 N HN 0.378 nan 8.380 nan 0.000 0.497 326 F N 0.682 120.729 119.950 0.162 0.000 2.804 326 F HA 0.036 4.556 4.527 -0.012 0.000 0.303 326 F C 1.565 177.432 175.800 0.110 0.000 1.154 326 F CA 0.131 58.219 58.000 0.148 0.000 1.401 326 F CB 0.193 39.169 39.000 -0.041 0.000 1.106 326 F HN 0.562 nan 8.300 nan 0.000 0.568 327 D N 0.277 120.810 120.400 0.222 0.000 2.178 327 D HA -0.124 4.509 4.640 -0.012 0.000 0.202 327 D C 2.151 178.531 176.300 0.133 0.000 0.974 327 D CA 1.173 55.262 54.000 0.148 0.000 0.841 327 D CB 0.116 40.980 40.800 0.107 0.000 0.953 327 D HN 0.325 nan 8.370 nan 0.000 0.478 328 A N -0.125 122.794 122.820 0.165 0.000 2.275 328 A HA 0.055 4.368 4.320 -0.012 0.000 0.212 328 A C 1.636 179.275 177.584 0.093 0.000 1.201 328 A CA -0.314 51.809 52.037 0.144 0.000 0.843 328 A CB -0.611 18.499 19.000 0.183 0.000 0.873 328 A HN 0.132 nan 8.150 nan 0.000 0.492 329 F N 1.965 121.814 119.950 -0.169 0.000 2.065 329 F HA -0.154 4.366 4.527 -0.012 0.000 0.298 329 F C -0.718 174.926 175.800 -0.260 0.000 1.112 329 F CA 2.609 60.301 58.000 -0.513 0.000 1.212 329 F CB -0.558 38.221 39.000 -0.367 0.000 0.975 329 F HN 0.205 nan 8.300 nan 0.000 0.476 330 P HA -0.116 nan 4.420 nan 0.000 0.222 330 P C 0.720 177.939 177.300 -0.135 0.000 1.147 330 P CA 1.555 64.583 63.100 -0.121 0.000 0.790 330 P CB -0.094 31.585 31.700 -0.035 0.000 0.780 331 D N -0.973 119.370 120.400 -0.095 0.000 2.317 331 D HA -0.037 4.596 4.640 -0.012 0.000 0.211 331 D C 1.501 177.760 176.300 -0.068 0.000 0.966 331 D CA 0.905 54.872 54.000 -0.054 0.000 0.876 331 D CB 0.094 40.890 40.800 -0.007 0.000 0.927 331 D HN 0.140 nan 8.370 nan 0.000 0.519 332 K N -0.272 120.047 120.400 -0.135 0.000 2.412 332 K HA 0.217 4.530 4.320 -0.012 0.000 0.202 332 K C -0.069 176.407 176.600 -0.207 0.000 1.102 332 K CA 0.060 56.285 56.287 -0.104 0.000 1.027 332 K CB 2.327 34.863 32.500 0.059 0.000 0.931 332 K HN -0.073 nan 8.250 nan 0.000 0.557 333 V N 0.984 120.667 119.914 -0.384 0.000 2.709 333 V HA 0.692 4.805 4.120 -0.012 0.000 0.308 333 V C -1.202 174.762 176.094 -0.216 0.000 1.062 333 V CA -1.175 60.906 62.300 -0.364 0.000 0.901 333 V CB 1.911 33.224 31.823 -0.849 0.000 1.003 333 V HN 0.134 nan 8.190 nan 0.000 0.425 334 A N 5.110 127.872 122.820 -0.096 0.000 2.375 334 A HA 0.891 5.204 4.320 -0.012 0.000 0.295 334 A C -1.109 176.484 177.584 0.015 0.000 1.066 334 A CA -0.433 51.582 52.037 -0.036 0.000 0.722 334 A CB 1.274 20.212 19.000 -0.105 0.000 1.206 334 A HN 1.249 nan 8.150 nan 0.000 0.435 335 I N 0.654 121.289 120.570 0.109 0.000 2.389 335 I HA 0.707 4.870 4.170 -0.012 0.000 0.288 335 I C -0.594 175.611 176.117 0.147 0.000 0.999 335 I CA -0.417 60.969 61.300 0.144 0.000 1.129 335 I CB 1.854 39.930 38.000 0.126 0.000 1.288 335 I HN 0.538 nan 8.210 nan 0.000 0.444 336 Q N 5.841 125.724 119.800 0.139 0.000 2.278 336 Q HA 0.533 4.866 4.340 -0.012 0.000 0.257 336 Q C -1.607 174.402 176.000 0.016 0.000 0.928 336 Q CA -0.412 55.508 55.803 0.195 0.000 0.932 336 Q CB 1.431 30.398 28.738 0.381 0.000 1.221 336 Q HN 0.762 nan 8.270 nan 0.000 0.434 337 L N 4.299 125.572 121.223 0.084 0.000 2.261 337 L HA 0.324 4.657 4.340 -0.012 0.000 0.289 337 L C -0.233 176.679 176.870 0.070 0.000 1.059 337 L CA -0.207 54.669 54.840 0.060 0.000 0.816 337 L CB 0.536 42.674 42.059 0.132 0.000 1.191 337 L HN 0.614 nan 8.230 nan 0.000 0.431 338 N N 4.124 122.781 118.700 -0.071 0.000 2.605 338 N HA 0.137 4.870 4.740 -0.012 0.000 0.258 338 N C -0.158 175.382 175.510 0.050 0.000 1.156 338 N CA 0.537 53.599 53.050 0.021 0.000 1.008 338 N CB -0.198 38.220 38.487 -0.115 0.000 1.354 338 N HN 0.566 nan 8.380 nan 0.000 0.509 339 D N -0.624 119.905 120.400 0.216 0.000 4.348 339 D HA -0.211 4.421 4.640 -0.012 0.000 0.289 339 D C 0.312 176.689 176.300 0.127 0.000 2.184 339 D CA 1.400 55.500 54.000 0.167 0.000 1.217 339 D CB -0.657 39.944 40.800 -0.331 0.000 0.994 339 D HN 0.447 nan 8.370 nan 0.000 1.193 340 T N -2.340 112.199 114.554 -0.025 0.000 3.107 340 T HA 0.147 4.490 4.350 -0.012 0.000 0.249 340 T C 1.621 176.372 174.700 0.086 0.000 1.096 340 T CA 1.373 63.443 62.100 -0.050 0.000 1.012 340 T CB -0.494 68.313 68.868 -0.102 0.000 0.977 340 T HN 0.491 nan 8.240 nan 0.000 0.527 341 H N 2.552 121.693 119.070 0.118 0.000 2.352 341 H HA -0.003 4.545 4.556 -0.012 0.000 0.299 341 H C -0.813 174.594 175.328 0.133 0.000 1.097 341 H CA 1.081 57.220 56.048 0.151 0.000 1.311 341 H CB -0.748 29.105 29.762 0.151 0.000 1.377 341 H HN 0.440 nan 8.280 nan 0.000 0.504 342 P HA 0.067 nan 4.420 nan 0.000 0.263 342 P C 0.805 178.140 177.300 0.058 0.000 1.448 342 P CA 0.393 63.564 63.100 0.119 0.000 0.983 342 P CB 0.298 32.058 31.700 0.099 0.000 1.481 343 S N -0.357 115.371 115.700 0.046 0.000 2.465 343 S HA -0.107 4.356 4.470 -0.012 0.000 0.241 343 S C 1.671 176.270 174.600 -0.001 0.000 1.000 343 S CA 0.730 58.919 58.200 -0.018 0.000 0.964 343 S CB -1.431 61.732 63.200 -0.062 0.000 0.763 343 S HN 0.152 nan 8.310 nan 0.000 0.512 344 L N 0.721 121.959 121.223 0.025 0.000 2.551 344 L HA 0.129 4.461 4.340 -0.012 0.000 0.228 344 L C 2.827 179.727 176.870 0.050 0.000 1.153 344 L CA 0.565 55.425 54.840 0.033 0.000 0.851 344 L CB -0.612 41.471 42.059 0.039 0.000 0.959 344 L HN 0.469 nan 8.230 nan 0.000 0.451 345 A N 0.308 123.135 122.820 0.012 0.000 2.019 345 A HA -0.156 4.156 4.320 -0.012 0.000 0.219 345 A C 2.157 179.737 177.584 -0.006 0.000 1.164 345 A CA 1.319 53.348 52.037 -0.013 0.000 0.644 345 A CB -0.375 18.609 19.000 -0.026 0.000 0.805 345 A HN 0.356 nan 8.150 nan 0.000 0.449 346 I N 0.262 120.833 120.570 0.002 0.000 2.162 346 I HA -0.109 4.054 4.170 -0.012 0.000 0.238 346 I C -0.419 175.722 176.117 0.040 0.000 1.076 346 I CA 1.348 62.652 61.300 0.005 0.000 1.353 346 I CB -0.687 37.322 38.000 0.014 0.000 1.063 346 I HN 0.225 nan 8.210 nan 0.000 0.408 347 P HA -0.148 nan 4.420 nan 0.000 0.229 347 P C 1.186 178.510 177.300 0.039 0.000 1.160 347 P CA 1.367 64.507 63.100 0.066 0.000 0.777 347 P CB 0.079 31.836 31.700 0.095 0.000 0.814 348 E N 0.168 120.444 120.200 0.127 0.000 2.112 348 E HA -0.107 4.236 4.350 -0.012 0.000 0.190 348 E C 1.868 178.452 176.600 -0.026 0.000 0.979 348 E CA 0.451 56.941 56.400 0.150 0.000 0.814 348 E CB -1.089 28.748 29.700 0.227 0.000 0.762 348 E HN -0.016 nan 8.360 nan 0.000 0.460 349 L N 0.049 121.230 121.223 -0.071 0.000 2.093 349 L HA -0.035 4.298 4.340 -0.012 0.000 0.208 349 L C 1.971 178.707 176.870 -0.223 0.000 1.085 349 L CA 1.634 56.379 54.840 -0.159 0.000 0.755 349 L CB -0.510 41.462 42.059 -0.147 0.000 0.904 349 L HN 0.226 nan 8.230 nan 0.000 0.435 350 M N -0.753 118.730 119.600 -0.195 0.000 2.086 350 M HA -0.195 4.278 4.480 -0.012 0.000 0.261 350 M C 2.427 178.562 176.300 -0.274 0.000 1.067 350 M CA 1.497 56.627 55.300 -0.283 0.000 1.116 350 M CB -1.172 31.249 32.600 -0.299 0.000 1.348 350 M HN 0.317 nan 8.290 nan 0.000 0.407 351 R N -0.059 120.306 120.500 -0.225 0.000 2.083 351 R HA -0.142 4.190 4.340 -0.012 0.000 0.237 351 R C 2.104 178.299 176.300 -0.175 0.000 1.137 351 R CA 1.698 57.667 56.100 -0.218 0.000 0.951 351 R CB -0.217 29.904 30.300 -0.298 0.000 0.851 351 R HN 0.195 nan 8.270 nan 0.000 0.434 352 V N 1.353 121.164 119.914 -0.173 0.000 2.261 352 V HA -0.255 3.858 4.120 -0.012 0.000 0.246 352 V C 2.425 178.364 176.094 -0.258 0.000 1.047 352 V CA 1.776 63.970 62.300 -0.177 0.000 1.015 352 V CB -0.394 31.320 31.823 -0.181 0.000 0.642 352 V HN 0.355 nan 8.190 nan 0.000 0.446 353 L N -0.667 120.342 121.223 -0.358 0.000 2.042 353 L HA -0.164 4.168 4.340 -0.012 0.000 0.210 353 L C 2.352 179.042 176.870 -0.300 0.000 1.076 353 L CA 1.247 55.814 54.840 -0.455 0.000 0.749 353 L CB -0.557 41.196 42.059 -0.509 0.000 0.893 353 L HN 0.221 nan 8.230 nan 0.000 0.432 354 V N -0.831 118.945 119.914 -0.230 0.000 2.374 354 V HA -0.158 3.955 4.120 -0.012 0.000 0.241 354 V C 1.984 178.032 176.094 -0.077 0.000 1.034 354 V CA 1.510 63.731 62.300 -0.130 0.000 1.037 354 V CB -0.274 31.492 31.823 -0.095 0.000 0.682 354 V HN 0.326 nan 8.190 nan 0.000 0.463 355 D N 0.216 120.566 120.400 -0.084 0.000 2.097 355 D HA -0.056 4.577 4.640 -0.012 0.000 0.197 355 D C 2.087 178.357 176.300 -0.051 0.000 0.984 355 D CA 1.332 55.300 54.000 -0.053 0.000 0.826 355 D CB -0.056 40.708 40.800 -0.060 0.000 0.973 355 D HN 0.305 nan 8.370 nan 0.000 0.460 356 L N 0.338 121.516 121.223 -0.074 0.000 2.200 356 L HA 0.069 4.402 4.340 -0.012 0.000 0.200 356 L C 1.966 178.801 176.870 -0.059 0.000 1.072 356 L CA 0.642 55.447 54.840 -0.058 0.000 0.787 356 L CB -0.223 41.802 42.059 -0.057 0.000 0.957 356 L HN -0.142 nan 8.230 nan 0.000 0.459 357 E N 0.704 120.833 120.200 -0.119 0.000 2.435 357 E HA -0.001 4.341 4.350 -0.012 0.000 0.195 357 E C 0.109 176.669 176.600 -0.068 0.000 1.029 357 E CA -0.017 56.318 56.400 -0.108 0.000 0.865 357 E CB 0.196 29.716 29.700 -0.300 0.000 0.833 357 E HN 0.272 nan 8.360 nan 0.000 0.510 358 R N -0.004 120.454 120.500 -0.070 0.000 3.423 358 R HA -0.194 4.139 4.340 -0.012 0.000 0.271 358 R C -0.467 175.817 176.300 -0.026 0.000 1.093 358 R CA 0.259 56.341 56.100 -0.031 0.000 0.730 358 R CB -2.518 27.782 30.300 0.000 0.000 1.190 358 R HN 0.047 nan 8.270 nan 0.000 0.437 359 L N 1.896 123.077 121.223 -0.070 0.000 2.399 359 L HA 0.186 4.518 4.340 -0.012 0.000 0.266 359 L C 1.204 178.066 176.870 -0.013 0.000 1.114 359 L CA 0.031 54.841 54.840 -0.051 0.000 0.804 359 L CB 0.591 42.574 42.059 -0.128 0.000 1.146 359 L HN 0.127 nan 8.230 nan 0.000 0.451 360 D N 0.879 121.296 120.400 0.029 0.000 2.362 360 D HA -0.139 4.493 4.640 -0.012 0.000 0.242 360 D C 1.006 177.371 176.300 0.108 0.000 1.132 360 D CA -0.472 53.579 54.000 0.085 0.000 0.907 360 D CB 0.689 41.546 40.800 0.095 0.000 1.195 360 D HN 0.605 nan 8.370 nan 0.000 0.429 361 W N 2.186 123.491 121.300 0.009 0.000 2.301 361 W HA -0.262 4.391 4.660 -0.012 0.000 0.325 361 W C 1.187 177.754 176.519 0.081 0.000 1.250 361 W CA 2.090 59.448 57.345 0.021 0.000 1.261 361 W CB -0.332 29.120 29.460 -0.014 0.000 1.157 361 W HN 0.491 nan 8.180 nan 0.000 0.473 362 D N 0.038 120.644 120.400 0.343 0.000 2.158 362 D HA -0.207 4.426 4.640 -0.012 0.000 0.197 362 D C 2.037 178.439 176.300 0.171 0.000 0.995 362 D CA 1.394 55.565 54.000 0.286 0.000 0.846 362 D CB -0.402 40.542 40.800 0.239 0.000 0.941 362 D HN 0.134 nan 8.370 nan 0.000 0.456 363 K N 0.848 121.306 120.400 0.096 0.000 2.103 363 K HA 0.029 4.342 4.320 -0.012 0.000 0.204 363 K C 1.970 178.565 176.600 -0.010 0.000 1.052 363 K CA 0.674 56.992 56.287 0.051 0.000 0.945 363 K CB -0.093 32.434 32.500 0.044 0.000 0.722 363 K HN 0.013 nan 8.250 nan 0.000 0.443 364 A N 0.729 123.502 122.820 -0.078 0.000 1.898 364 A HA -0.179 4.134 4.320 -0.012 0.000 0.216 364 A C 2.086 179.580 177.584 -0.151 0.000 1.181 364 A CA 1.140 53.062 52.037 -0.192 0.000 0.620 364 A CB -0.989 17.820 19.000 -0.318 0.000 0.819 364 A HN 0.621 nan 8.150 nan 0.000 0.442 365 W N 0.672 121.763 121.300 -0.347 0.000 2.388 365 W HA -0.147 4.506 4.660 -0.012 0.000 0.294 365 W C 1.967 178.431 176.519 -0.092 0.000 1.212 365 W CA 1.718 58.913 57.345 -0.250 0.000 1.271 365 W CB -0.049 29.313 29.460 -0.164 0.000 1.126 365 W HN 0.596 nan 8.180 nan 0.000 0.535 366 E N 0.119 120.311 120.200 -0.014 0.000 2.051 366 E HA -0.218 4.125 4.350 -0.012 0.000 0.192 366 E C 2.031 178.557 176.600 -0.124 0.000 0.991 366 E CA 1.838 58.196 56.400 -0.071 0.000 0.799 366 E CB -0.267 29.449 29.700 0.027 0.000 0.748 366 E HN 0.069 nan 8.360 nan 0.000 0.449 367 V N 0.693 120.553 119.914 -0.091 0.000 2.295 367 V HA -0.245 3.868 4.120 -0.012 0.000 0.246 367 V C 2.421 178.459 176.094 -0.093 0.000 1.049 367 V CA 2.158 64.426 62.300 -0.053 0.000 1.024 367 V CB -0.801 30.994 31.823 -0.047 0.000 0.648 367 V HN 0.356 nan 8.190 nan 0.000 0.447 368 T N 0.095 114.525 114.554 -0.207 0.000 2.684 368 T HA -0.184 4.158 4.350 -0.012 0.000 0.267 368 T C 1.948 176.470 174.700 -0.296 0.000 1.036 368 T CA 1.789 63.740 62.100 -0.248 0.000 1.148 368 T CB -0.284 68.385 68.868 -0.331 0.000 0.863 368 T HN 0.270 nan 8.240 nan 0.000 0.436 369 V N 1.191 120.809 119.914 -0.492 0.000 2.343 369 V HA -0.142 3.970 4.120 -0.012 0.000 0.247 369 V C 2.356 178.393 176.094 -0.095 0.000 1.051 369 V CA 1.584 63.647 62.300 -0.395 0.000 1.036 369 V CB -0.449 31.058 31.823 -0.526 0.000 0.654 369 V HN 0.441 nan 8.190 nan 0.000 0.451 370 K N -0.250 120.081 120.400 -0.116 0.000 2.365 370 K HA -0.105 4.208 4.320 -0.012 0.000 0.199 370 K C 2.104 178.662 176.600 -0.071 0.000 1.045 370 K CA 1.530 57.735 56.287 -0.136 0.000 0.962 370 K CB -0.137 32.284 32.500 -0.132 0.000 0.759 370 K HN 0.636 nan 8.250 nan 0.000 0.469 371 T N -1.998 112.580 114.554 0.040 0.000 3.014 371 T HA 0.098 4.440 4.350 -0.012 0.000 0.250 371 T C 0.581 175.384 174.700 0.171 0.000 1.060 371 T CA -0.330 61.826 62.100 0.093 0.000 1.040 371 T CB 0.026 68.960 68.868 0.110 0.000 0.971 371 T HN 0.010 nan 8.240 nan 0.000 0.497 372 C N 2.556 121.949 119.300 0.156 0.000 2.365 372 C HA 0.924 5.376 4.460 -0.012 0.000 0.351 372 C C 0.477 175.536 174.990 0.116 0.000 1.240 372 C CA -0.786 58.305 59.018 0.121 0.000 2.062 372 C CB 0.313 28.062 27.740 0.015 0.000 2.387 372 C HN 0.735 nan 8.230 nan 0.000 0.537 373 A N 2.394 125.276 122.820 0.102 0.000 2.455 373 A HA 0.702 5.015 4.320 -0.012 0.000 0.300 373 A C -1.466 176.202 177.584 0.140 0.000 1.040 373 A CA -0.394 51.656 52.037 0.021 0.000 0.697 373 A CB 0.875 19.916 19.000 0.069 0.000 1.265 373 A HN 0.929 nan 8.150 nan 0.000 0.407 374 Y N 1.417 121.675 120.300 -0.070 0.000 2.377 374 Y HA 0.661 5.204 4.550 -0.012 0.000 0.339 374 Y C -0.377 175.521 175.900 -0.002 0.000 1.011 374 Y CA -0.345 57.728 58.100 -0.044 0.000 1.093 374 Y CB 1.962 40.352 38.460 -0.117 0.000 1.201 374 Y HN 0.551 nan 8.280 nan 0.000 0.455 375 T N 6.436 120.832 114.554 -0.262 0.000 2.786 375 T HA 0.171 4.514 4.350 -0.012 0.000 0.283 375 T C -0.840 173.498 174.700 -0.604 0.000 0.992 375 T CA -0.824 61.062 62.100 -0.357 0.000 0.954 375 T CB 0.387 69.275 68.868 0.032 0.000 0.934 375 T HN 0.624 nan 8.240 nan 0.000 0.440 376 N N 1.736 120.053 118.700 -0.638 0.000 2.479 376 N HA 0.140 4.873 4.740 -0.012 0.000 0.285 376 N C 0.148 175.568 175.510 -0.150 0.000 1.075 376 N CA -0.243 52.654 53.050 -0.256 0.000 0.967 376 N CB 0.770 39.253 38.487 -0.007 0.000 1.137 376 N HN 0.672 nan 8.380 nan 0.000 0.472 377 H N 0.820 119.910 119.070 0.034 0.000 2.986 377 H HA 0.154 4.703 4.556 -0.012 0.000 0.267 377 H C -0.156 175.073 175.328 -0.165 0.000 1.072 377 H CA 0.094 56.101 56.048 -0.069 0.000 1.202 377 H CB 1.262 31.004 29.762 -0.033 0.000 1.535 377 H HN 0.521 nan 8.280 nan 0.000 0.522 378 T N 0.065 114.636 114.554 0.029 0.000 2.830 378 T HA 0.240 4.583 4.350 -0.012 0.000 0.322 378 T C 0.387 175.107 174.700 0.033 0.000 1.501 378 T CA -0.329 61.743 62.100 -0.047 0.000 1.036 378 T CB 1.283 70.116 68.868 -0.058 0.000 1.379 378 T HN -0.060 nan 8.240 nan 0.000 0.493 379 V N 1.446 121.342 119.914 -0.031 0.000 3.605 379 V HA 0.491 4.604 4.120 -0.012 0.000 0.284 379 V C 1.022 177.073 176.094 -0.070 0.000 1.386 379 V CA -0.053 62.220 62.300 -0.045 0.000 1.053 379 V CB -0.753 31.045 31.823 -0.041 0.000 0.857 379 V HN 0.797 nan 8.190 nan 0.000 0.436 380 I N -0.026 120.487 120.570 -0.095 0.000 2.618 380 I HA 0.270 4.433 4.170 -0.012 0.000 0.284 380 I C -0.696 175.402 176.117 -0.032 0.000 1.146 380 I CA -1.559 59.705 61.300 -0.060 0.000 1.425 380 I CB 0.456 38.404 38.000 -0.086 0.000 1.383 380 I HN -0.027 nan 8.210 nan 0.000 0.562 381 P HA -0.235 nan 4.420 nan 0.000 0.215 381 P C 1.107 178.384 177.300 -0.039 0.000 1.153 381 P CA 1.556 64.641 63.100 -0.025 0.000 0.853 381 P CB -0.106 31.588 31.700 -0.010 0.000 0.788 382 E N 0.313 120.508 120.200 -0.009 0.000 2.472 382 E HA -0.058 4.284 4.350 -0.012 0.000 0.200 382 E C 1.530 178.039 176.600 -0.152 0.000 1.046 382 E CA 1.073 57.433 56.400 -0.067 0.000 0.871 382 E CB -0.643 29.108 29.700 0.086 0.000 0.806 382 E HN 0.220 nan 8.360 nan 0.000 0.533 383 A N 0.972 123.760 122.820 -0.054 0.000 2.220 383 A HA 0.208 4.521 4.320 -0.012 0.000 0.211 383 A C 1.138 178.683 177.584 -0.065 0.000 1.176 383 A CA -0.347 51.680 52.037 -0.017 0.000 0.834 383 A CB 0.162 19.182 19.000 0.034 0.000 0.868 383 A HN 0.146 nan 8.150 nan 0.000 0.488 384 L N 1.814 122.960 121.223 -0.128 0.000 2.455 384 L HA 0.111 4.444 4.340 -0.012 0.000 0.272 384 L C -0.019 176.513 176.870 -0.563 0.000 1.174 384 L CA 0.542 55.248 54.840 -0.222 0.000 0.869 384 L CB 0.291 42.254 42.059 -0.160 0.000 1.130 384 L HN 0.402 nan 8.230 nan 0.000 0.474 385 E N 4.981 124.758 120.200 -0.705 0.000 2.129 385 E HA 0.180 4.523 4.350 -0.012 0.000 0.283 385 E C -0.453 175.521 176.600 -1.043 0.000 1.080 385 E CA -0.191 55.368 56.400 -1.403 0.000 0.867 385 E CB 0.619 29.837 29.700 -0.803 0.000 1.056 385 E HN 0.364 nan 8.360 nan 0.000 0.404 386 R N 3.824 123.597 120.500 -1.211 0.000 2.407 386 R HA 0.199 4.531 4.340 -0.012 0.000 0.298 386 R C -1.171 174.968 176.300 -0.267 0.000 1.166 386 R CA -0.553 55.259 56.100 -0.479 0.000 1.006 386 R CB 0.871 31.020 30.300 -0.251 0.000 1.145 386 R HN 0.420 nan 8.270 nan 0.000 0.538 387 W N 4.772 126.025 121.300 -0.078 0.000 2.345 387 W HA 0.255 4.907 4.660 -0.012 0.000 0.308 387 W C -1.875 174.627 176.519 -0.030 0.000 1.273 387 W CA -2.165 55.199 57.345 0.031 0.000 1.243 387 W CB 0.786 30.240 29.460 -0.011 0.000 1.260 387 W HN 0.254 nan 8.180 nan 0.000 0.509 388 P HA -0.109 nan 4.420 nan 0.000 0.264 388 P C 0.804 178.056 177.300 -0.081 0.000 1.183 388 P CA 0.258 63.362 63.100 0.007 0.000 0.763 388 P CB 0.778 32.359 31.700 -0.198 0.000 0.807 389 V N 3.256 123.176 119.914 0.010 0.000 2.392 389 V HA -0.281 3.832 4.120 -0.012 0.000 0.249 389 V C 2.137 178.236 176.094 0.008 0.000 1.059 389 V CA 2.520 64.836 62.300 0.027 0.000 1.051 389 V CB -1.725 30.176 31.823 0.130 0.000 0.658 389 V HN 0.764 nan 8.190 nan 0.000 0.455 390 H N -1.185 117.937 119.070 0.086 0.000 2.456 390 H HA -0.106 4.443 4.556 -0.012 0.000 0.296 390 H C 2.045 177.411 175.328 0.065 0.000 1.079 390 H CA 1.674 57.767 56.048 0.075 0.000 1.322 390 H CB -0.478 29.331 29.762 0.078 0.000 1.388 390 H HN 0.372 nan 8.280 nan 0.000 0.538 391 L N -0.080 120.950 121.223 -0.323 0.000 2.044 391 L HA -0.054 4.279 4.340 -0.012 0.000 0.205 391 L C 2.335 179.128 176.870 -0.127 0.000 1.075 391 L CA 0.850 55.593 54.840 -0.162 0.000 0.747 391 L CB -0.180 41.769 42.059 -0.184 0.000 0.903 391 L HN 0.325 nan 8.230 nan 0.000 0.435 392 L N -0.502 120.627 121.223 -0.157 0.000 2.093 392 L HA -0.240 4.093 4.340 -0.012 0.000 0.208 392 L C 2.501 179.287 176.870 -0.139 0.000 1.085 392 L CA 1.164 55.888 54.840 -0.193 0.000 0.755 392 L CB -0.390 41.552 42.059 -0.196 0.000 0.904 392 L HN 0.349 nan 8.230 nan 0.000 0.435 393 E N -0.515 119.646 120.200 -0.065 0.000 2.110 393 E HA -0.211 4.132 4.350 -0.012 0.000 0.193 393 E C 1.842 178.460 176.600 0.030 0.000 0.988 393 E CA 1.764 58.158 56.400 -0.009 0.000 0.804 393 E CB 0.171 29.907 29.700 0.060 0.000 0.745 393 E HN 0.404 nan 8.360 nan 0.000 0.458 394 T N 0.546 115.136 114.554 0.060 0.000 2.939 394 T HA -0.037 4.306 4.350 -0.012 0.000 0.254 394 T C 1.646 176.431 174.700 0.141 0.000 1.041 394 T CA 0.510 62.696 62.100 0.143 0.000 1.142 394 T CB -0.034 68.952 68.868 0.196 0.000 0.874 394 T HN 0.067 nan 8.240 nan 0.000 0.452 395 L N 0.155 121.357 121.223 -0.035 0.000 2.127 395 L HA 0.368 4.701 4.340 -0.012 0.000 0.203 395 L C 0.283 177.060 176.870 -0.156 0.000 1.080 395 L CA 1.543 56.240 54.840 -0.238 0.000 0.768 395 L CB 0.091 41.975 42.059 -0.291 0.000 0.924 395 L HN 0.155 nan 8.230 nan 0.000 0.444 396 L N 0.603 121.696 121.223 -0.216 0.000 2.551 396 L HA 0.300 4.633 4.340 -0.012 0.000 0.248 396 L C -1.660 175.004 176.870 -0.342 0.000 1.509 396 L CA -1.026 53.596 54.840 -0.365 0.000 0.842 396 L CB 0.826 42.505 42.059 -0.633 0.000 1.087 396 L HN -0.078 nan 8.230 nan 0.000 0.512 397 P HA -0.242 nan 4.420 nan 0.000 0.216 397 P C 1.495 178.590 177.300 -0.342 0.000 1.154 397 P CA 1.386 64.351 63.100 -0.225 0.000 0.865 397 P CB 0.349 31.993 31.700 -0.094 0.000 0.789 398 R N -0.578 119.536 120.500 -0.643 0.000 2.090 398 R HA -0.131 4.202 4.340 -0.012 0.000 0.228 398 R C 2.352 178.338 176.300 -0.523 0.000 1.110 398 R CA 1.462 57.195 56.100 -0.611 0.000 0.973 398 R CB -1.276 28.498 30.300 -0.878 0.000 0.869 398 R HN 0.225 nan 8.270 nan 0.000 0.440 399 H N -0.233 118.515 119.070 -0.536 0.000 2.387 399 H HA -0.052 4.497 4.556 -0.012 0.000 0.299 399 H C 1.759 176.909 175.328 -0.297 0.000 1.090 399 H CA 1.617 57.440 56.048 -0.375 0.000 1.332 399 H CB -0.053 29.456 29.762 -0.421 0.000 1.386 399 H HN 0.103 nan 8.280 nan 0.000 0.516 400 L N 0.438 121.527 121.223 -0.224 0.000 2.083 400 L HA -0.228 4.105 4.340 -0.012 0.000 0.209 400 L C 1.805 178.463 176.870 -0.354 0.000 1.083 400 L CA 1.553 56.188 54.840 -0.342 0.000 0.752 400 L CB -0.269 41.601 42.059 -0.316 0.000 0.899 400 L HN 0.430 nan 8.230 nan 0.000 0.433 401 Q N -0.375 119.325 119.800 -0.166 0.000 2.124 401 Q HA -0.210 4.122 4.340 -0.012 0.000 0.202 401 Q C 2.170 178.177 176.000 0.012 0.000 0.977 401 Q CA 1.507 57.302 55.803 -0.012 0.000 0.850 401 Q CB 0.003 28.744 28.738 0.004 0.000 0.901 401 Q HN 0.548 nan 8.270 nan 0.000 0.429 402 I N 0.144 120.701 120.570 -0.021 0.000 2.353 402 I HA -0.241 3.921 4.170 -0.012 0.000 0.248 402 I C 1.992 178.178 176.117 0.115 0.000 1.119 402 I CA 0.899 62.269 61.300 0.117 0.000 1.417 402 I CB -0.023 38.004 38.000 0.045 0.000 1.078 402 I HN 0.186 nan 8.210 nan 0.000 0.421 403 I N -0.601 119.961 120.570 -0.014 0.000 2.394 403 I HA -0.289 3.873 4.170 -0.012 0.000 0.251 403 I C 2.209 178.355 176.117 0.048 0.000 1.136 403 I CA 1.186 62.473 61.300 -0.021 0.000 1.425 403 I CB -0.245 37.676 38.000 -0.133 0.000 1.079 403 I HN 0.180 nan 8.210 nan 0.000 0.425 404 Y N 0.724 121.026 120.300 0.003 0.000 2.263 404 Y HA -0.209 4.333 4.550 -0.012 0.000 0.292 404 Y C 2.567 178.429 175.900 -0.064 0.000 1.130 404 Y CA 1.262 59.351 58.100 -0.019 0.000 1.179 404 Y CB -0.625 37.816 38.460 -0.030 0.000 0.998 404 Y HN 0.200 nan 8.280 nan 0.000 0.532 405 E N 0.385 120.620 120.200 0.059 0.000 2.107 405 E HA -0.113 4.230 4.350 -0.012 0.000 0.191 405 E C 2.001 178.495 176.600 -0.177 0.000 0.982 405 E CA 1.124 57.414 56.400 -0.184 0.000 0.809 405 E CB -0.527 28.916 29.700 -0.428 0.000 0.756 405 E HN 0.463 nan 8.360 nan 0.000 0.459 406 I N 0.621 121.189 120.570 -0.003 0.000 2.202 406 I HA -0.239 3.924 4.170 -0.012 0.000 0.242 406 I C 2.254 178.372 176.117 0.001 0.000 1.091 406 I CA 1.292 62.555 61.300 -0.062 0.000 1.368 406 I CB -0.345 37.636 38.000 -0.032 0.000 1.058 406 I HN 0.210 nan 8.210 nan 0.000 0.410 407 N N 0.730 119.485 118.700 0.092 0.000 2.069 407 N HA -0.264 4.469 4.740 -0.012 0.000 0.191 407 N C 1.867 177.465 175.510 0.146 0.000 1.031 407 N CA 1.603 54.764 53.050 0.186 0.000 0.852 407 N CB -0.104 38.510 38.487 0.212 0.000 1.018 407 N HN 0.267 nan 8.380 nan 0.000 0.423 408 Q N -0.158 119.669 119.800 0.044 0.000 2.030 408 Q HA -0.110 4.223 4.340 -0.012 0.000 0.204 408 Q C 2.010 177.989 176.000 -0.035 0.000 0.986 408 Q CA 1.627 57.416 55.803 -0.023 0.000 0.843 408 Q CB 0.005 28.685 28.738 -0.097 0.000 0.904 408 Q HN 0.413 nan 8.270 nan 0.000 0.420 409 R N -0.802 119.655 120.500 -0.072 0.000 2.148 409 R HA -0.118 4.215 4.340 -0.012 0.000 0.227 409 R C 2.116 178.444 176.300 0.048 0.000 1.103 409 R CA 1.031 57.090 56.100 -0.068 0.000 0.983 409 R CB -0.306 29.896 30.300 -0.163 0.000 0.874 409 R HN 0.273 nan 8.270 nan 0.000 0.451 410 F N 1.643 121.570 119.950 -0.039 0.000 2.128 410 F HA -0.036 4.484 4.527 -0.012 0.000 0.295 410 F C 1.898 177.723 175.800 0.043 0.000 1.100 410 F CA 1.135 59.160 58.000 0.043 0.000 1.260 410 F CB -0.302 38.754 39.000 0.093 0.000 1.009 410 F HN -0.156 nan 8.300 nan 0.000 0.476 411 L N 0.223 121.404 121.223 -0.071 0.000 2.191 411 L HA -0.253 4.080 4.340 -0.012 0.000 0.212 411 L C 1.970 178.748 176.870 -0.153 0.000 1.103 411 L CA 1.575 56.312 54.840 -0.172 0.000 0.769 411 L CB -0.872 41.171 42.059 -0.026 0.000 0.908 411 L HN 0.297 nan 8.230 nan 0.000 0.438 412 N N -0.387 118.254 118.700 -0.098 0.000 2.244 412 N HA -0.151 4.582 4.740 -0.012 0.000 0.183 412 N C 1.928 177.384 175.510 -0.090 0.000 1.016 412 N CA 0.513 53.516 53.050 -0.079 0.000 0.866 412 N CB 0.071 38.522 38.487 -0.060 0.000 0.980 412 N HN 0.237 nan 8.380 nan 0.000 0.430 413 R N 0.534 120.965 120.500 -0.115 0.000 2.075 413 R HA -0.030 4.302 4.340 -0.012 0.000 0.232 413 R C 2.103 178.318 176.300 -0.141 0.000 1.126 413 R CA 0.742 56.782 56.100 -0.101 0.000 0.963 413 R CB -0.098 30.164 30.300 -0.062 0.000 0.858 413 R HN 0.033 nan 8.270 nan 0.000 0.435 414 V N 0.567 120.338 119.914 -0.239 0.000 2.261 414 V HA -0.236 3.877 4.120 -0.012 0.000 0.246 414 V C 2.348 178.445 176.094 0.005 0.000 1.047 414 V CA 1.997 64.222 62.300 -0.125 0.000 1.015 414 V CB -0.758 30.900 31.823 -0.275 0.000 0.642 414 V HN 0.451 nan 8.190 nan 0.000 0.446 415 A N 0.065 122.854 122.820 -0.051 0.000 1.940 415 A HA -0.174 4.139 4.320 -0.012 0.000 0.219 415 A C 2.382 179.946 177.584 -0.035 0.000 1.176 415 A CA 2.280 54.304 52.037 -0.022 0.000 0.631 415 A CB -0.789 18.187 19.000 -0.041 0.000 0.814 415 A HN 0.606 nan 8.150 nan 0.000 0.446 416 A N -0.629 122.152 122.820 -0.065 0.000 1.969 416 A HA 0.257 4.570 4.320 -0.012 0.000 0.218 416 A C 2.384 179.881 177.584 -0.145 0.000 1.169 416 A CA 1.837 53.823 52.037 -0.084 0.000 0.635 416 A CB -0.681 18.275 19.000 -0.073 0.000 0.810 416 A HN 0.988 nan 8.150 nan 0.000 0.445 417 A N -1.436 121.255 122.820 -0.215 0.000 1.935 417 A HA 0.372 4.684 4.320 -0.012 0.000 0.214 417 A C 0.489 177.610 177.584 -0.773 0.000 1.178 417 A CA 0.501 52.231 52.037 -0.510 0.000 0.640 417 A CB -0.147 18.475 19.000 -0.630 0.000 0.825 417 A HN 0.428 nan 8.150 nan 0.000 0.447 418 F N 0.202 120.104 119.950 -0.080 0.000 2.531 418 F HA 0.354 4.873 4.527 -0.012 0.000 0.333 418 F C -2.742 173.020 175.800 -0.065 0.000 1.292 418 F CA -2.809 55.148 58.000 -0.071 0.000 1.184 418 F CB 0.704 39.653 39.000 -0.085 0.000 1.426 418 F HN -0.067 nan 8.300 nan 0.000 0.559 419 P HA 0.133 nan 4.420 nan 0.000 0.261 419 P C 1.036 178.353 177.300 0.028 0.000 1.183 419 P CA 1.170 64.278 63.100 0.013 0.000 0.761 419 P CB 0.746 32.437 31.700 -0.017 0.000 0.785 420 G N 2.911 111.721 108.800 0.017 0.000 2.234 420 G HA2 -0.258 3.695 3.960 -0.012 0.000 0.260 420 G HA3 -0.258 3.695 3.960 -0.012 0.000 0.260 420 G C 0.423 175.331 174.900 0.013 0.000 0.987 420 G CA 0.044 45.150 45.100 0.011 0.000 0.625 420 G HN 0.588 nan 8.290 nan 0.000 0.532 421 D N 1.083 121.501 120.400 0.030 0.000 2.545 421 D HA 0.360 4.993 4.640 -0.012 0.000 0.227 421 D C 1.617 177.905 176.300 -0.021 0.000 1.150 421 D CA 0.482 54.485 54.000 0.004 0.000 1.046 421 D CB 0.513 41.316 40.800 0.006 0.000 1.098 421 D HN 0.169 nan 8.370 nan 0.000 0.502 422 V N 2.675 122.578 119.914 -0.018 0.000 2.626 422 V HA -0.204 3.908 4.120 -0.012 0.000 0.252 422 V C 1.634 177.712 176.094 -0.027 0.000 1.067 422 V CA 1.870 64.157 62.300 -0.021 0.000 1.081 422 V CB -0.001 31.814 31.823 -0.014 0.000 0.686 422 V HN 0.356 nan 8.190 nan 0.000 0.468 423 D N -0.487 119.893 120.400 -0.034 0.000 2.194 423 D HA -0.151 4.482 4.640 -0.012 0.000 0.204 423 D C 2.314 178.581 176.300 -0.055 0.000 0.964 423 D CA 1.012 54.992 54.000 -0.034 0.000 0.846 423 D CB -0.158 40.623 40.800 -0.031 0.000 0.962 423 D HN 0.423 nan 8.370 nan 0.000 0.490 424 R N -0.318 120.125 120.500 -0.096 0.000 2.092 424 R HA -0.095 4.238 4.340 -0.012 0.000 0.231 424 R C 1.743 177.961 176.300 -0.136 0.000 1.119 424 R CA 0.690 56.693 56.100 -0.161 0.000 0.970 424 R CB -0.197 29.943 30.300 -0.267 0.000 0.864 424 R HN 0.141 nan 8.270 nan 0.000 0.440 425 L N 1.550 122.719 121.223 -0.090 0.000 1.989 425 L HA -0.178 4.154 4.340 -0.012 0.000 0.211 425 L C 2.532 179.394 176.870 -0.014 0.000 1.071 425 L CA 2.123 56.925 54.840 -0.063 0.000 0.749 425 L CB -0.813 41.221 42.059 -0.040 0.000 0.890 425 L HN 0.303 nan 8.230 nan 0.000 0.431 426 R N -1.306 119.196 120.500 0.004 0.000 2.148 426 R HA -0.052 4.281 4.340 -0.012 0.000 0.223 426 R C 2.159 178.508 176.300 0.081 0.000 1.088 426 R CA 0.946 57.073 56.100 0.045 0.000 0.985 426 R CB -0.547 29.775 30.300 0.036 0.000 0.880 426 R HN 0.170 nan 8.270 nan 0.000 0.451 427 R N 0.142 120.671 120.500 0.048 0.000 2.090 427 R HA 0.132 4.465 4.340 -0.012 0.000 0.228 427 R C 1.920 178.307 176.300 0.145 0.000 1.110 427 R CA 1.602 57.755 56.100 0.089 0.000 0.973 427 R CB -0.102 30.207 30.300 0.015 0.000 0.869 427 R HN 0.317 nan 8.270 nan 0.000 0.440 428 M N 0.047 119.657 119.600 0.015 0.000 2.509 428 M HA 0.031 4.503 4.480 -0.012 0.000 0.250 428 M C 0.794 177.265 176.300 0.285 0.000 1.132 428 M CA 0.028 55.300 55.300 -0.046 0.000 1.080 428 M CB 0.505 32.903 32.600 -0.337 0.000 1.408 428 M HN -0.091 nan 8.290 nan 0.000 0.484 429 S N 1.037 116.909 115.700 0.286 0.000 2.558 429 S HA 0.059 4.521 4.470 -0.012 0.000 0.288 429 S C 1.135 176.015 174.600 0.466 0.000 1.318 429 S CA -0.284 58.117 58.200 0.334 0.000 1.056 429 S CB 0.541 63.870 63.200 0.214 0.000 0.853 429 S HN 0.376 nan 8.310 nan 0.000 0.505 430 L N 4.164 125.617 121.223 0.383 0.000 2.376 430 L HA 0.106 4.439 4.340 -0.012 0.000 0.219 430 L C 0.272 177.262 176.870 0.200 0.000 1.133 430 L CA 0.280 55.299 54.840 0.298 0.000 0.816 430 L CB -0.530 41.645 42.059 0.194 0.000 0.933 430 L HN 0.402 nan 8.230 nan 0.000 0.449 431 V N 0.843 120.888 119.914 0.218 0.000 2.350 431 V HA 0.185 4.297 4.120 -0.012 0.000 0.276 431 V C 0.092 176.278 176.094 0.153 0.000 1.028 431 V CA -0.567 61.846 62.300 0.189 0.000 0.860 431 V CB 1.376 33.346 31.823 0.245 0.000 0.990 431 V HN 0.168 nan 8.190 nan 0.000 0.453 432 E N 3.218 123.488 120.200 0.117 0.000 2.146 432 E HA 0.370 4.712 4.350 -0.012 0.000 0.282 432 E C -0.556 176.096 176.600 0.087 0.000 0.989 432 E CA -0.494 55.962 56.400 0.094 0.000 0.799 432 E CB 1.694 31.430 29.700 0.060 0.000 1.088 432 E HN 0.609 nan 8.360 nan 0.000 0.397 433 E N 1.051 121.297 120.200 0.078 0.000 2.345 433 E HA 0.613 4.956 4.350 -0.012 0.000 0.259 433 E C 0.211 176.846 176.600 0.058 0.000 1.117 433 E CA 0.399 56.839 56.400 0.066 0.000 0.913 433 E CB 1.402 31.134 29.700 0.053 0.000 1.057 433 E HN 0.644 nan 8.360 nan 0.000 0.432 434 G N -0.187 108.645 108.800 0.054 0.000 2.302 434 G HA2 0.234 4.187 3.960 -0.012 0.000 0.264 434 G HA3 0.234 4.187 3.960 -0.012 0.000 0.264 434 G C 0.522 175.453 174.900 0.051 0.000 1.335 434 G CA 0.315 45.444 45.100 0.048 0.000 0.982 434 G HN 0.651 nan 8.290 nan 0.000 0.473 435 A N -0.837 122.012 122.820 0.048 0.000 1.870 435 A HA 0.234 4.547 4.320 -0.012 0.000 0.219 435 A C 1.847 179.469 177.584 0.064 0.000 1.286 435 A CA 4.594 56.660 52.037 0.049 0.000 0.682 435 A CB -1.274 17.756 19.000 0.049 0.000 0.844 435 A HN 2.436 nan 8.150 nan 0.000 0.460 436 V N -2.654 117.311 119.914 0.085 0.000 2.680 436 V HA 0.576 4.689 4.120 -0.012 0.000 0.309 436 V C -0.496 175.672 176.094 0.123 0.000 1.052 436 V CA -1.356 61.018 62.300 0.122 0.000 0.908 436 V CB 1.680 33.609 31.823 0.177 0.000 1.001 436 V HN 0.427 nan 8.190 nan 0.000 0.431 437 K N 4.078 124.559 120.400 0.136 0.000 2.355 437 K HA 0.511 4.824 4.320 -0.012 0.000 0.270 437 K C -0.418 176.259 176.600 0.128 0.000 1.003 437 K CA -0.260 56.104 56.287 0.128 0.000 0.957 437 K CB 0.905 33.493 32.500 0.146 0.000 0.939 437 K HN 0.752 nan 8.250 nan 0.000 0.482 438 R N 0.785 121.349 120.500 0.107 0.000 2.817 438 R HA 0.498 4.831 4.340 -0.012 0.000 0.268 438 R C -0.811 175.535 176.300 0.077 0.000 1.027 438 R CA -0.994 55.158 56.100 0.087 0.000 0.928 438 R CB 1.262 31.596 30.300 0.056 0.000 1.228 438 R HN 0.368 nan 8.270 nan 0.000 0.469 439 I N 1.745 122.353 120.570 0.063 0.000 2.406 439 I HA 0.194 4.357 4.170 -0.012 0.000 0.290 439 I C -0.432 175.672 176.117 -0.022 0.000 0.999 439 I CA -0.780 60.545 61.300 0.042 0.000 1.124 439 I CB 1.402 39.425 38.000 0.039 0.000 1.289 439 I HN 0.500 nan 8.210 nan 0.000 0.441 440 N N 7.071 125.729 118.700 -0.071 0.000 2.439 440 N HA 0.100 4.833 4.740 -0.012 0.000 0.243 440 N C 0.861 176.267 175.510 -0.175 0.000 1.088 440 N CA -0.342 52.581 53.050 -0.212 0.000 0.940 440 N CB 0.945 39.165 38.487 -0.445 0.000 1.180 440 N HN 0.381 nan 8.380 nan 0.000 0.505 441 M N 2.364 121.864 119.600 -0.167 0.000 2.213 441 M HA -0.085 4.388 4.480 -0.012 0.000 0.263 441 M C 1.955 178.111 176.300 -0.241 0.000 1.062 441 M CA 0.807 56.024 55.300 -0.139 0.000 1.105 441 M CB -1.588 30.967 32.600 -0.075 0.000 1.385 441 M HN 0.597 nan 8.290 nan 0.000 0.417 442 A N -0.606 122.063 122.820 -0.251 0.000 1.933 442 A HA -0.174 4.138 4.320 -0.012 0.000 0.218 442 A C 1.991 179.357 177.584 -0.363 0.000 1.175 442 A CA 1.483 53.340 52.037 -0.300 0.000 0.628 442 A CB -1.135 17.869 19.000 0.006 0.000 0.814 442 A HN 0.608 nan 8.150 nan 0.000 0.444 443 H N -1.153 117.706 119.070 -0.353 0.000 2.389 443 H HA -0.001 4.547 4.556 -0.012 0.000 0.299 443 H C 2.106 177.217 175.328 -0.361 0.000 1.081 443 H CA 0.857 56.654 56.048 -0.418 0.000 1.345 443 H CB -0.011 29.709 29.762 -0.070 0.000 1.393 443 H HN 0.374 nan 8.280 nan 0.000 0.520 444 L N 0.307 121.451 121.223 -0.131 0.000 2.017 444 L HA -0.223 4.110 4.340 -0.012 0.000 0.208 444 L C 2.254 178.998 176.870 -0.211 0.000 1.073 444 L CA 1.296 56.061 54.840 -0.125 0.000 0.745 444 L CB -0.408 41.601 42.059 -0.084 0.000 0.894 444 L HN 0.442 nan 8.230 nan 0.000 0.432 445 C N 0.111 119.186 119.300 -0.375 0.000 2.429 445 C HA -0.184 4.269 4.460 -0.012 0.000 0.277 445 C C 2.676 177.436 174.990 -0.383 0.000 1.262 445 C CA 0.678 59.398 59.018 -0.497 0.000 1.733 445 C CB -0.772 26.281 27.740 -1.144 0.000 2.010 445 C HN 0.514 nan 8.230 nan 0.000 0.483 446 I N 1.398 121.702 120.570 -0.444 0.000 2.179 446 I HA -0.213 3.950 4.170 -0.012 0.000 0.242 446 I C 2.746 178.713 176.117 -0.249 0.000 1.088 446 I CA 1.669 62.746 61.300 -0.371 0.000 1.357 446 I CB -0.556 37.078 38.000 -0.610 0.000 1.051 446 I HN 0.278 nan 8.210 nan 0.000 0.409 447 A N 0.520 123.168 122.820 -0.286 0.000 1.933 447 A HA -0.103 4.210 4.320 -0.012 0.000 0.218 447 A C 2.199 179.809 177.584 0.043 0.000 1.175 447 A CA 1.903 53.806 52.037 -0.222 0.000 0.628 447 A CB -1.145 17.552 19.000 -0.505 0.000 0.814 447 A HN 0.481 nan 8.150 nan 0.000 0.444 448 G N -1.051 107.731 108.800 -0.031 0.000 3.434 448 G HA2 0.426 4.379 3.960 -0.012 0.000 0.258 448 G HA3 0.426 4.379 3.960 -0.012 0.000 0.258 448 G C 0.031 174.773 174.900 -0.265 0.000 1.128 448 G CA 0.479 45.437 45.100 -0.237 0.000 0.792 448 G HN 0.351 nan 8.290 nan 0.000 0.539 449 S N -0.268 115.333 115.700 -0.165 0.000 2.536 449 S HA 0.328 4.791 4.470 -0.012 0.000 0.298 449 S C 0.608 175.159 174.600 -0.081 0.000 1.083 449 S CA -0.728 57.405 58.200 -0.112 0.000 0.995 449 S CB 1.283 64.427 63.200 -0.094 0.000 1.058 449 S HN 0.499 nan 8.310 nan 0.000 0.488 450 H N -0.274 118.761 119.070 -0.059 0.000 2.539 450 H HA 0.553 5.101 4.556 -0.012 0.000 0.269 450 H C -0.008 175.312 175.328 -0.013 0.000 0.980 450 H CA 0.136 56.175 56.048 -0.015 0.000 1.152 450 H CB 0.117 29.880 29.762 0.002 0.000 1.407 450 H HN 0.549 nan 8.280 nan 0.000 0.564 451 A N 0.823 123.354 122.820 -0.481 0.000 2.540 451 A HA 0.535 4.848 4.320 -0.012 0.000 0.297 451 A C -1.555 175.838 177.584 -0.318 0.000 1.056 451 A CA -0.551 51.248 52.037 -0.398 0.000 0.700 451 A CB 1.951 20.666 19.000 -0.476 0.000 1.280 451 A HN 0.093 nan 8.150 nan 0.000 0.398 452 V N 4.154 123.852 119.914 -0.360 0.000 2.577 452 V HA 0.577 4.689 4.120 -0.012 0.000 0.303 452 V C -0.671 175.253 176.094 -0.283 0.000 1.042 452 V CA -0.743 61.339 62.300 -0.363 0.000 0.872 452 V CB 1.866 33.345 31.823 -0.573 0.000 0.998 452 V HN 1.027 nan 8.190 nan 0.000 0.423 453 N N 2.903 121.452 118.700 -0.251 0.000 2.262 453 N HA 0.616 5.349 4.740 -0.012 0.000 0.295 453 N C -0.306 175.125 175.510 -0.131 0.000 1.161 453 N CA -0.403 52.546 53.050 -0.168 0.000 0.767 453 N CB 2.901 41.266 38.487 -0.204 0.000 1.499 453 N HN 0.654 nan 8.380 nan 0.000 0.476 454 G N -0.809 107.949 108.800 -0.069 0.000 2.488 454 G HA2 0.417 4.370 3.960 -0.012 0.000 0.318 454 G HA3 0.417 4.370 3.960 -0.012 0.000 0.318 454 G C 0.829 175.804 174.900 0.124 0.000 1.188 454 G CA -0.583 44.541 45.100 0.040 0.000 0.944 454 G HN 0.584 nan 8.290 nan 0.000 0.495 455 V N -3.211 116.869 119.914 0.276 0.000 3.542 455 V HA 0.670 4.783 4.120 -0.012 0.000 0.296 455 V C 0.657 176.812 176.094 0.103 0.000 1.364 455 V CA 0.378 62.734 62.300 0.092 0.000 1.118 455 V CB -0.908 30.889 31.823 -0.044 0.000 0.972 455 V HN 1.282 nan 8.190 nan 0.000 0.430 456 A N -0.192 122.708 122.820 0.135 0.000 2.594 456 A HA 0.617 4.930 4.320 -0.012 0.000 0.296 456 A C 0.713 178.344 177.584 0.077 0.000 1.061 456 A CA -0.171 51.925 52.037 0.099 0.000 0.689 456 A CB 1.183 20.232 19.000 0.081 0.000 1.280 456 A HN 0.005 nan 8.150 nan 0.000 0.406 457 R N 0.889 121.414 120.500 0.042 0.000 2.113 457 R HA -0.188 4.145 4.340 -0.012 0.000 0.244 457 R C 1.710 178.006 176.300 -0.007 0.000 1.142 457 R CA 2.390 58.493 56.100 0.005 0.000 0.953 457 R CB -0.246 30.053 30.300 -0.002 0.000 0.860 457 R HN 0.835 nan 8.270 nan 0.000 0.438 458 I N 0.019 120.595 120.570 0.009 0.000 2.252 458 I HA -0.294 3.869 4.170 -0.012 0.000 0.245 458 I C 2.373 178.494 176.117 0.007 0.000 1.102 458 I CA 1.961 63.259 61.300 -0.004 0.000 1.385 458 I CB -0.255 37.744 38.000 -0.003 0.000 1.064 458 I HN 0.330 nan 8.210 nan 0.000 0.414 459 H N 0.222 119.261 119.070 -0.053 0.000 2.353 459 H HA -0.128 4.421 4.556 -0.012 0.000 0.300 459 H C 2.236 177.525 175.328 -0.066 0.000 1.090 459 H CA 2.187 58.198 56.048 -0.062 0.000 1.327 459 H CB -0.292 29.439 29.762 -0.052 0.000 1.383 459 H HN 0.256 nan 8.280 nan 0.000 0.508 460 S N 0.087 115.670 115.700 -0.195 0.000 2.382 460 S HA -0.126 4.337 4.470 -0.012 0.000 0.228 460 S C 1.892 176.359 174.600 -0.221 0.000 1.027 460 S CA 1.235 59.292 58.200 -0.238 0.000 0.991 460 S CB -0.091 63.047 63.200 -0.103 0.000 0.823 460 S HN 0.484 nan 8.310 nan 0.000 0.469 461 E N 1.052 121.149 120.200 -0.172 0.000 2.072 461 E HA 0.028 4.371 4.350 -0.012 0.000 0.190 461 E C 1.984 178.460 176.600 -0.206 0.000 0.982 461 E CA 0.601 56.891 56.400 -0.184 0.000 0.803 461 E CB -0.370 29.255 29.700 -0.125 0.000 0.755 461 E HN 0.500 nan 8.360 nan 0.000 0.453 462 I N 0.907 121.368 120.570 -0.182 0.000 2.361 462 I HA -0.259 3.903 4.170 -0.012 0.000 0.251 462 I C 2.299 178.275 176.117 -0.235 0.000 1.133 462 I CA 0.681 61.877 61.300 -0.173 0.000 1.413 462 I CB -0.129 37.800 38.000 -0.120 0.000 1.073 462 I HN 0.060 nan 8.210 nan 0.000 0.424 463 L N 0.200 121.242 121.223 -0.301 0.000 2.056 463 L HA -0.216 4.116 4.340 -0.012 0.000 0.207 463 L C 2.495 179.223 176.870 -0.238 0.000 1.078 463 L CA 1.526 56.193 54.840 -0.289 0.000 0.749 463 L CB -0.540 41.418 42.059 -0.168 0.000 0.901 463 L HN 0.189 nan 8.230 nan 0.000 0.433 464 K N 0.019 120.209 120.400 -0.349 0.000 2.103 464 K HA -0.128 4.185 4.320 -0.012 0.000 0.204 464 K C 2.101 178.494 176.600 -0.345 0.000 1.052 464 K CA 1.058 57.004 56.287 -0.569 0.000 0.945 464 K CB 0.053 31.984 32.500 -0.947 0.000 0.722 464 K HN 0.247 nan 8.250 nan 0.000 0.443 465 K N -0.246 120.005 120.400 -0.249 0.000 2.186 465 K HA 0.013 4.325 4.320 -0.012 0.000 0.202 465 K C 1.437 177.974 176.600 -0.104 0.000 1.052 465 K CA 1.025 57.223 56.287 -0.147 0.000 0.965 465 K CB 0.388 32.811 32.500 -0.127 0.000 0.746 465 K HN 0.078 nan 8.250 nan 0.000 0.457 466 T N 0.608 115.086 114.554 -0.127 0.000 3.166 466 T HA 0.061 4.404 4.350 -0.012 0.000 0.182 466 T C 1.576 176.213 174.700 -0.104 0.000 0.810 466 T CA -0.353 61.685 62.100 -0.103 0.000 1.441 466 T CB -0.457 68.343 68.868 -0.114 0.000 2.201 466 T HN -0.070 nan 8.240 nan 0.000 0.414 467 I N 1.022 121.467 120.570 -0.208 0.000 2.121 467 I HA -0.201 3.962 4.170 -0.012 0.000 0.243 467 I C 0.863 176.890 176.117 -0.151 0.000 1.047 467 I CA 1.915 63.019 61.300 -0.327 0.000 1.308 467 I CB -0.188 37.387 38.000 -0.709 0.000 1.015 467 I HN 0.381 nan 8.210 nan 0.000 0.410 468 F N -0.275 119.745 119.950 0.115 0.000 2.850 468 F HA 0.212 4.732 4.527 -0.012 0.000 0.306 468 F C 1.776 177.669 175.800 0.156 0.000 1.162 468 F CA -0.487 57.667 58.000 0.256 0.000 1.327 468 F CB -0.175 39.001 39.000 0.293 0.000 0.953 468 F HN -0.081 nan 8.300 nan 0.000 0.507 469 K N 1.024 121.533 120.400 0.181 0.000 2.020 469 K HA -0.221 4.092 4.320 -0.012 0.000 0.212 469 K C 1.313 177.961 176.600 0.079 0.000 1.050 469 K CA 2.164 58.500 56.287 0.082 0.000 0.929 469 K CB -0.038 32.475 32.500 0.022 0.000 0.714 469 K HN 0.230 nan 8.250 nan 0.000 0.443 470 D N -0.243 120.170 120.400 0.022 0.000 2.149 470 D HA -0.161 4.472 4.640 -0.012 0.000 0.198 470 D C 1.819 178.000 176.300 -0.200 0.000 0.990 470 D CA 1.192 55.070 54.000 -0.202 0.000 0.839 470 D CB -0.273 40.305 40.800 -0.371 0.000 0.948 470 D HN 0.235 nan 8.370 nan 0.000 0.460 471 F N -0.222 119.813 119.950 0.142 0.000 2.206 471 F HA -0.118 4.402 4.527 -0.012 0.000 0.298 471 F C 2.307 178.288 175.800 0.302 0.000 1.090 471 F CA 0.407 58.581 58.000 0.289 0.000 1.323 471 F CB -0.609 38.642 39.000 0.418 0.000 1.028 471 F HN -0.045 nan 8.300 nan 0.000 0.492 472 Y N 1.382 121.676 120.300 -0.010 0.000 2.242 472 Y HA -0.170 4.373 4.550 -0.012 0.000 0.291 472 Y C 2.091 177.976 175.900 -0.024 0.000 1.137 472 Y CA 1.541 59.426 58.100 -0.357 0.000 1.181 472 Y CB -0.608 37.438 38.460 -0.690 0.000 0.989 472 Y HN 0.132 nan 8.280 nan 0.000 0.527 473 E N -0.138 119.992 120.200 -0.117 0.000 2.150 473 E HA -0.189 4.153 4.350 -0.012 0.000 0.193 473 E C 2.240 178.886 176.600 0.076 0.000 0.985 473 E CA 0.980 57.324 56.400 -0.093 0.000 0.814 473 E CB -0.197 29.492 29.700 -0.019 0.000 0.752 473 E HN 0.437 nan 8.360 nan 0.000 0.466 474 L N 0.854 122.167 121.223 0.150 0.000 2.044 474 L HA -0.074 4.259 4.340 -0.012 0.000 0.205 474 L C 0.195 177.149 176.870 0.140 0.000 1.075 474 L CA 1.477 56.451 54.840 0.224 0.000 0.747 474 L CB 0.110 42.305 42.059 0.228 0.000 0.903 474 L HN 0.064 nan 8.230 nan 0.000 0.435 475 E N 0.125 120.400 120.200 0.124 0.000 2.914 475 E HA 0.175 4.518 4.350 -0.012 0.000 0.246 475 E C -1.979 174.557 176.600 -0.106 0.000 1.146 475 E CA -1.490 54.869 56.400 -0.069 0.000 0.803 475 E CB 1.013 30.642 29.700 -0.118 0.000 1.409 475 E HN 0.200 nan 8.360 nan 0.000 0.392 476 P HA -0.253 nan 4.420 nan 0.000 0.218 476 P C 1.262 178.675 177.300 0.190 0.000 1.148 476 P CA 1.421 64.455 63.100 -0.111 0.000 0.822 476 P CB -0.127 31.378 31.700 -0.325 0.000 0.784 477 H N 0.198 119.380 119.070 0.187 0.000 2.489 477 H HA 0.031 4.579 4.556 -0.012 0.000 0.293 477 H C 1.485 176.902 175.328 0.148 0.000 1.066 477 H CA 0.866 57.008 56.048 0.156 0.000 1.305 477 H CB -0.616 29.207 29.762 0.102 0.000 1.386 477 H HN 0.165 nan 8.280 nan 0.000 0.551 478 K N 0.398 120.734 120.400 -0.106 0.000 2.155 478 K HA 0.038 4.351 4.320 -0.012 0.000 0.203 478 K C -0.016 176.448 176.600 -0.228 0.000 1.052 478 K CA 0.267 56.451 56.287 -0.172 0.000 0.948 478 K CB 0.074 32.330 32.500 -0.408 0.000 0.728 478 K HN 0.096 nan 8.250 nan 0.000 0.448 479 F N 2.073 122.061 119.950 0.063 0.000 2.467 479 F HA 0.105 4.625 4.527 -0.012 0.000 0.362 479 F C 0.624 176.429 175.800 0.009 0.000 1.090 479 F CA 0.013 58.045 58.000 0.052 0.000 1.202 479 F CB 0.667 39.744 39.000 0.128 0.000 1.113 479 F HN -0.032 nan 8.300 nan 0.000 0.541 480 Q N 1.843 121.680 119.800 0.061 0.000 2.882 480 Q HA 0.418 4.751 4.340 -0.012 0.000 0.315 480 Q C -1.258 174.706 176.000 -0.061 0.000 1.004 480 Q CA -1.341 54.451 55.803 -0.019 0.000 0.777 480 Q CB 2.888 31.564 28.738 -0.104 0.000 1.506 480 Q HN 0.626 nan 8.270 nan 0.000 0.489 481 N N 0.287 118.927 118.700 -0.100 0.000 2.242 481 N HA 0.295 5.027 4.740 -0.012 0.000 0.292 481 N C -1.662 173.748 175.510 -0.167 0.000 1.125 481 N CA -0.402 52.587 53.050 -0.102 0.000 0.783 481 N CB 1.482 39.932 38.487 -0.062 0.000 1.558 481 N HN 0.322 nan 8.380 nan 0.000 0.472 482 K N 2.458 122.766 120.400 -0.154 0.000 2.761 482 K HA 0.182 4.495 4.320 -0.012 0.000 0.257 482 K C -1.089 175.515 176.600 0.007 0.000 1.053 482 K CA -0.472 55.697 56.287 -0.197 0.000 1.035 482 K CB 1.229 33.380 32.500 -0.583 0.000 1.267 482 K HN 0.555 nan 8.250 nan 0.000 0.505 483 T N 2.064 116.643 114.554 0.043 0.000 2.928 483 T HA 0.081 4.424 4.350 -0.012 0.000 0.305 483 T C 0.845 175.671 174.700 0.211 0.000 1.035 483 T CA 0.280 62.455 62.100 0.125 0.000 1.145 483 T CB 0.370 69.319 68.868 0.134 0.000 0.963 483 T HN 0.351 nan 8.240 nan 0.000 0.545 484 N N 0.476 119.314 118.700 0.230 0.000 2.260 484 N HA 0.432 5.164 4.740 -0.012 0.000 0.230 484 N C 0.497 176.187 175.510 0.299 0.000 1.323 484 N CA -0.203 53.013 53.050 0.276 0.000 0.897 484 N CB 0.367 38.952 38.487 0.163 0.000 1.146 484 N HN 0.769 nan 8.380 nan 0.000 0.460 485 G N -0.874 108.104 108.800 0.297 0.000 2.600 485 G HA2 0.572 4.525 3.960 -0.012 0.000 0.293 485 G HA3 0.572 4.525 3.960 -0.012 0.000 0.293 485 G C -1.540 173.492 174.900 0.219 0.000 1.408 485 G CA -0.757 44.513 45.100 0.283 0.000 0.782 485 G HN 0.599 nan 8.290 nan 0.000 0.482 486 I N -2.551 118.142 120.570 0.204 0.000 2.934 486 I HA 0.775 4.938 4.170 -0.012 0.000 0.306 486 I C -0.284 176.002 176.117 0.280 0.000 1.110 486 I CA -1.003 60.421 61.300 0.206 0.000 1.019 486 I CB 2.404 40.422 38.000 0.030 0.000 1.227 486 I HN 0.503 nan 8.210 nan 0.000 0.434 487 T N 3.659 118.438 114.554 0.375 0.000 2.794 487 T HA 0.376 4.719 4.350 -0.012 0.000 0.296 487 T C -1.466 173.349 174.700 0.192 0.000 0.949 487 T CA -1.706 60.524 62.100 0.216 0.000 1.101 487 T CB 0.828 69.760 68.868 0.106 0.000 0.905 487 T HN 0.609 nan 8.240 nan 0.000 0.516 488 P HA 0.011 nan 4.420 nan 0.000 0.226 488 P C 1.183 178.450 177.300 -0.055 0.000 1.153 488 P CA 0.482 63.615 63.100 0.055 0.000 0.777 488 P CB 0.361 32.072 31.700 0.019 0.000 0.794 489 R N 0.328 120.743 120.500 -0.142 0.000 2.064 489 R HA -0.008 4.325 4.340 -0.012 0.000 0.228 489 R C 2.719 178.897 176.300 -0.203 0.000 1.144 489 R CA 1.605 57.577 56.100 -0.212 0.000 0.932 489 R CB -1.141 29.034 30.300 -0.209 0.000 0.833 489 R HN 0.049 nan 8.270 nan 0.000 0.429 490 R N -0.764 119.555 120.500 -0.302 0.000 2.075 490 R HA -0.107 4.226 4.340 -0.012 0.000 0.232 490 R C 1.149 177.112 176.300 -0.562 0.000 1.126 490 R CA 1.502 57.283 56.100 -0.531 0.000 0.963 490 R CB -0.199 29.597 30.300 -0.840 0.000 0.858 490 R HN 0.307 nan 8.270 nan 0.000 0.435 491 W N 0.160 121.415 121.300 -0.075 0.000 3.377 491 W HA 0.115 4.767 4.660 -0.013 0.000 0.277 491 W C 0.941 177.427 176.519 -0.055 0.000 1.311 491 W CA -0.671 56.629 57.345 -0.074 0.000 1.703 491 W CB 0.370 29.792 29.460 -0.064 0.000 1.095 491 W HN 0.249 nan 8.180 nan 0.000 0.715 492 L N -2.580 118.701 121.223 0.096 0.000 2.455 492 L HA 0.139 4.472 4.340 -0.012 0.000 0.138 492 L C 1.785 178.671 176.870 0.026 0.000 1.398 492 L CA 0.619 55.509 54.840 0.083 0.000 0.998 492 L CB -0.882 41.246 42.059 0.115 0.000 1.985 492 L HN -0.278 nan 8.230 nan 0.000 0.493 493 V N 1.383 121.290 119.914 -0.012 0.000 2.282 493 V HA -0.305 3.807 4.120 -0.012 0.000 0.249 493 V C 2.443 178.512 176.094 -0.041 0.000 1.057 493 V CA 2.611 64.895 62.300 -0.028 0.000 1.032 493 V CB -0.789 30.989 31.823 -0.076 0.000 0.645 493 V HN 0.530 nan 8.190 nan 0.000 0.447 494 L N 0.379 121.550 121.223 -0.086 0.000 2.023 494 L HA -0.175 4.158 4.340 -0.012 0.000 0.205 494 L C 2.509 179.325 176.870 -0.089 0.000 1.073 494 L CA 2.359 57.133 54.840 -0.109 0.000 0.745 494 L CB -0.276 41.666 42.059 -0.194 0.000 0.900 494 L HN 0.655 nan 8.230 nan 0.000 0.435 495 C N -1.940 117.307 119.300 -0.088 0.000 2.533 495 C HA 0.193 4.646 4.460 -0.012 0.000 0.272 495 C C 1.214 176.198 174.990 -0.010 0.000 1.371 495 C CA -0.335 58.653 59.018 -0.050 0.000 1.758 495 C CB -0.993 26.729 27.740 -0.030 0.000 1.972 495 C HN 0.557 nan 8.230 nan 0.000 0.522 496 N N 1.283 119.986 118.700 0.005 0.000 2.765 496 N HA 0.291 5.023 4.740 -0.012 0.000 0.277 496 N C -1.802 173.724 175.510 0.026 0.000 1.750 496 N CA -1.550 51.512 53.050 0.020 0.000 0.827 496 N CB 0.870 39.377 38.487 0.033 0.000 1.200 496 N HN 0.278 nan 8.380 nan 0.000 0.494 497 P HA -0.037 nan 4.420 nan 0.000 0.217 497 P C 1.398 178.717 177.300 0.030 0.000 1.150 497 P CA 0.868 63.982 63.100 0.023 0.000 0.832 497 P CB 0.289 31.996 31.700 0.011 0.000 0.787 498 G N 0.657 109.470 108.800 0.022 0.000 2.440 498 G HA2 -0.250 3.703 3.960 -0.012 0.000 0.218 498 G HA3 -0.250 3.703 3.960 -0.012 0.000 0.218 498 G C 1.531 176.440 174.900 0.017 0.000 1.154 498 G CA 0.742 45.852 45.100 0.016 0.000 0.767 498 G HN 0.261 nan 8.290 nan 0.000 0.552 499 L N 1.168 122.403 121.223 0.020 0.000 2.072 499 L HA 0.304 4.636 4.340 -0.012 0.000 0.205 499 L C 3.058 179.962 176.870 0.056 0.000 1.079 499 L CA 1.992 56.842 54.840 0.016 0.000 0.752 499 L CB -0.727 41.343 42.059 0.018 0.000 0.906 499 L HN 0.217 nan 8.230 nan 0.000 0.436 500 A N -0.637 122.237 122.820 0.091 0.000 1.940 500 A HA -0.270 4.042 4.320 -0.012 0.000 0.219 500 A C 2.234 179.916 177.584 0.164 0.000 1.176 500 A CA 1.880 54.021 52.037 0.174 0.000 0.631 500 A CB -0.710 18.381 19.000 0.151 0.000 0.814 500 A HN 0.566 nan 8.150 nan 0.000 0.446 501 E N 0.735 120.993 120.200 0.097 0.000 2.028 501 E HA -0.174 4.169 4.350 -0.012 0.000 0.191 501 E C 1.871 178.515 176.600 0.072 0.000 0.988 501 E CA 1.688 58.135 56.400 0.079 0.000 0.799 501 E CB -0.539 29.189 29.700 0.047 0.000 0.755 501 E HN 0.732 nan 8.360 nan 0.000 0.447 502 I N -1.491 119.116 120.570 0.062 0.000 2.361 502 I HA -0.188 3.975 4.170 -0.012 0.000 0.251 502 I C 2.230 178.430 176.117 0.139 0.000 1.133 502 I CA 1.277 62.630 61.300 0.087 0.000 1.413 502 I CB -0.446 37.583 38.000 0.049 0.000 1.073 502 I HN 0.041 nan 8.210 nan 0.000 0.424 503 I N 2.019 122.650 120.570 0.101 0.000 2.179 503 I HA -0.226 3.937 4.170 -0.012 0.000 0.242 503 I C 3.019 179.088 176.117 -0.081 0.000 1.088 503 I CA 1.458 62.750 61.300 -0.014 0.000 1.357 503 I CB -0.484 37.398 38.000 -0.196 0.000 1.051 503 I HN 0.315 nan 8.210 nan 0.000 0.409 504 A N 0.101 122.961 122.820 0.065 0.000 1.972 504 A HA -0.220 4.092 4.320 -0.012 0.000 0.219 504 A C 2.173 179.784 177.584 0.045 0.000 1.169 504 A CA 1.511 53.634 52.037 0.143 0.000 0.635 504 A CB -0.558 18.570 19.000 0.215 0.000 0.810 504 A HN 0.429 nan 8.150 nan 0.000 0.446 505 E N -0.646 119.564 120.200 0.016 0.000 2.160 505 E HA -0.193 4.150 4.350 -0.012 0.000 0.195 505 E C 2.242 178.800 176.600 -0.070 0.000 0.991 505 E CA 1.176 57.570 56.400 -0.009 0.000 0.810 505 E CB 0.013 29.715 29.700 0.004 0.000 0.742 505 E HN 0.521 nan 8.360 nan 0.000 0.466 506 R N -0.075 120.321 120.500 -0.173 0.000 2.103 506 R HA 0.076 4.409 4.340 -0.012 0.000 0.212 506 R C 2.307 178.497 176.300 -0.183 0.000 1.107 506 R CA 0.845 56.753 56.100 -0.320 0.000 1.025 506 R CB -0.292 29.474 30.300 -0.890 0.000 0.929 506 R HN 0.294 nan 8.270 nan 0.000 0.456 507 I N -2.503 117.977 120.570 -0.150 0.000 4.082 507 I HA 0.446 4.609 4.170 -0.012 0.000 0.337 507 I C 0.466 176.612 176.117 0.050 0.000 1.352 507 I CA 0.075 61.348 61.300 -0.044 0.000 1.097 507 I CB 0.800 38.755 38.000 -0.075 0.000 1.048 507 I HN 0.196 nan 8.210 nan 0.000 0.393 508 G N 1.950 110.794 108.800 0.075 0.000 2.685 508 G HA2 -0.200 3.753 3.960 -0.012 0.000 0.387 508 G HA3 -0.200 3.753 3.960 -0.012 0.000 0.387 508 G C -0.090 174.957 174.900 0.245 0.000 1.324 508 G CA 0.087 45.262 45.100 0.125 0.000 0.878 508 G HN 0.409 nan 8.290 nan 0.000 0.527 509 E N -0.083 120.209 120.200 0.154 0.000 2.476 509 E HA 0.103 4.446 4.350 -0.012 0.000 0.199 509 E C 1.934 178.506 176.600 -0.047 0.000 1.021 509 E CA 0.411 56.846 56.400 0.058 0.000 0.907 509 E CB 0.291 30.010 29.700 0.032 0.000 0.974 509 E HN 0.657 nan 8.360 nan 0.000 0.489 510 E N 0.456 120.692 120.200 0.061 0.000 2.265 510 E HA -0.210 4.133 4.350 -0.012 0.000 0.196 510 E C 1.583 178.190 176.600 0.012 0.000 0.996 510 E CA 1.008 57.432 56.400 0.039 0.000 0.832 510 E CB -0.242 29.501 29.700 0.070 0.000 0.756 510 E HN 0.507 nan 8.360 nan 0.000 0.491 511 Y N -0.197 120.110 120.300 0.013 0.000 2.497 511 Y HA -0.074 4.470 4.550 -0.010 0.000 0.292 511 Y C 1.813 177.694 175.900 -0.031 0.000 1.137 511 Y CA 0.354 58.453 58.100 -0.001 0.000 1.285 511 Y CB -0.271 38.191 38.460 0.005 0.000 0.991 511 Y HN -0.072 nan 8.280 nan 0.000 0.556 512 I N 1.108 121.196 120.570 -0.802 0.000 2.454 512 I HA -0.212 3.951 4.170 -0.012 0.000 0.254 512 I C 1.456 177.321 176.117 -0.420 0.000 1.156 512 I CA 1.757 62.639 61.300 -0.698 0.000 1.433 512 I CB -1.231 36.292 38.000 -0.795 0.000 1.082 512 I HN 0.504 nan 8.210 nan 0.000 0.432 513 S N -1.568 113.994 115.700 -0.230 0.000 2.730 513 S HA 0.200 4.663 4.470 -0.012 0.000 0.244 513 S C 0.269 174.854 174.600 -0.025 0.000 1.022 513 S CA -0.418 57.722 58.200 -0.099 0.000 1.014 513 S CB 0.508 63.719 63.200 0.018 0.000 0.963 513 S HN 0.273 nan 8.310 nan 0.000 0.540 514 D N 0.978 121.371 120.400 -0.011 0.000 3.118 514 D HA 0.251 4.883 4.640 -0.012 0.000 0.286 514 D C 0.743 177.090 176.300 0.078 0.000 1.255 514 D CA -0.323 53.698 54.000 0.034 0.000 0.748 514 D CB -0.158 40.668 40.800 0.044 0.000 1.332 514 D HN 0.097 nan 8.370 nan 0.000 0.575 515 L N 0.265 121.534 121.223 0.077 0.000 2.270 515 L HA -0.171 4.162 4.340 -0.012 0.000 0.217 515 L C 1.115 178.042 176.870 0.095 0.000 1.107 515 L CA 1.267 56.183 54.840 0.126 0.000 0.772 515 L CB 0.054 42.175 42.059 0.104 0.000 0.902 515 L HN 0.280 nan 8.230 nan 0.000 0.439 516 D N -0.353 120.079 120.400 0.053 0.000 2.182 516 D HA -0.215 4.418 4.640 -0.012 0.000 0.201 516 D C 2.046 178.370 176.300 0.039 0.000 0.986 516 D CA 0.934 54.950 54.000 0.027 0.000 0.847 516 D CB -0.041 40.763 40.800 0.006 0.000 0.942 516 D HN 0.487 nan 8.370 nan 0.000 0.467 517 Q N -0.226 119.614 119.800 0.067 0.000 2.443 517 Q HA -0.116 4.217 4.340 -0.012 0.000 0.213 517 Q C 1.696 177.715 176.000 0.031 0.000 0.982 517 Q CA 0.118 55.960 55.803 0.065 0.000 0.894 517 Q CB 0.052 28.857 28.738 0.112 0.000 0.947 517 Q HN 0.186 nan 8.270 nan 0.000 0.480 518 L N 0.549 121.787 121.223 0.025 0.000 2.362 518 L HA -0.141 4.192 4.340 -0.012 0.000 0.219 518 L C 2.012 178.879 176.870 -0.005 0.000 1.134 518 L CA 1.442 56.263 54.840 -0.032 0.000 0.807 518 L CB -0.400 41.659 42.059 0.001 0.000 0.927 518 L HN 0.120 nan 8.230 nan 0.000 0.447 519 R N -0.569 119.938 120.500 0.012 0.000 2.120 519 R HA -0.161 4.171 4.340 -0.012 0.000 0.234 519 R C 2.001 178.309 176.300 0.015 0.000 1.123 519 R CA 0.980 57.090 56.100 0.015 0.000 0.975 519 R CB -0.177 30.128 30.300 0.008 0.000 0.866 519 R HN 0.384 nan 8.270 nan 0.000 0.446 520 K N 0.634 121.042 120.400 0.013 0.000 2.286 520 K HA -0.138 4.175 4.320 -0.012 0.000 0.203 520 K C 1.887 178.532 176.600 0.075 0.000 1.045 520 K CA 0.914 57.218 56.287 0.028 0.000 0.935 520 K CB -0.129 32.392 32.500 0.035 0.000 0.737 520 K HN 0.253 nan 8.250 nan 0.000 0.460 521 L N 0.595 121.849 121.223 0.052 0.000 2.376 521 L HA -0.142 4.191 4.340 -0.012 0.000 0.219 521 L C 1.962 178.907 176.870 0.124 0.000 1.133 521 L CA 0.061 54.951 54.840 0.084 0.000 0.816 521 L CB -0.216 41.859 42.059 0.027 0.000 0.933 521 L HN 0.139 nan 8.230 nan 0.000 0.449 522 L N 0.107 121.367 121.223 0.061 0.000 2.079 522 L HA -0.197 4.136 4.340 -0.012 0.000 0.210 522 L C 2.641 179.502 176.870 -0.015 0.000 1.081 522 L CA 1.973 56.833 54.840 0.034 0.000 0.752 522 L CB -0.875 41.189 42.059 0.009 0.000 0.896 522 L HN 0.338 nan 8.230 nan 0.000 0.433 523 S N -2.632 113.008 115.700 -0.100 0.000 2.720 523 S HA -0.063 4.400 4.470 -0.012 0.000 0.222 523 S C 0.977 175.276 174.600 -0.500 0.000 0.958 523 S CA 0.213 58.245 58.200 -0.281 0.000 0.943 523 S CB -0.597 62.386 63.200 -0.362 0.000 0.779 523 S HN 0.469 nan 8.310 nan 0.000 0.526 524 Y N -0.997 119.237 120.300 -0.110 0.000 2.588 524 Y HA 0.405 4.953 4.550 -0.004 0.000 0.247 524 Y C 1.813 177.742 175.900 0.048 0.000 1.157 524 Y CA -0.641 57.385 58.100 -0.123 0.000 1.215 524 Y CB 0.230 38.407 38.460 -0.473 0.000 1.245 524 Y HN 0.261 nan 8.280 nan 0.000 0.534 525 V N 0.546 120.545 119.914 0.142 0.000 2.688 525 V HA -0.228 3.885 4.120 -0.012 0.000 0.256 525 V C 0.839 177.000 176.094 0.112 0.000 1.084 525 V CA 2.348 64.734 62.300 0.143 0.000 1.103 525 V CB -0.014 31.855 31.823 0.077 0.000 0.688 525 V HN 0.355 nan 8.190 nan 0.000 0.480 526 D N -1.042 119.405 120.400 0.078 0.000 2.431 526 D HA 0.128 4.761 4.640 -0.012 0.000 0.213 526 D C 0.345 176.692 176.300 0.079 0.000 1.130 526 D CA -0.099 53.937 54.000 0.060 0.000 0.834 526 D CB 0.124 40.936 40.800 0.020 0.000 0.985 526 D HN 0.428 nan 8.370 nan 0.000 0.504 527 D N 1.558 122.038 120.400 0.133 0.000 2.371 527 D HA -0.046 4.587 4.640 -0.012 0.000 0.256 527 D C 1.194 177.596 176.300 0.169 0.000 1.193 527 D CA 0.124 54.224 54.000 0.167 0.000 0.881 527 D CB 1.628 42.603 40.800 0.292 0.000 1.143 527 D HN -0.211 nan 8.370 nan 0.000 0.473 528 E N 3.270 123.539 120.200 0.114 0.000 2.106 528 E HA -0.097 4.246 4.350 -0.012 0.000 0.192 528 E C 1.646 178.303 176.600 0.096 0.000 0.984 528 E CA 1.204 57.657 56.400 0.087 0.000 0.806 528 E CB -0.131 29.604 29.700 0.057 0.000 0.750 528 E HN 0.584 nan 8.360 nan 0.000 0.458 529 A N -0.320 122.572 122.820 0.121 0.000 1.872 529 A HA -0.109 4.203 4.320 -0.012 0.000 0.214 529 A C 2.278 179.954 177.584 0.154 0.000 1.187 529 A CA 1.172 53.278 52.037 0.115 0.000 0.614 529 A CB -1.000 18.070 19.000 0.116 0.000 0.826 529 A HN 0.386 nan 8.150 nan 0.000 0.442 530 F N 0.371 120.340 119.950 0.031 0.000 2.095 530 F HA -0.186 4.335 4.527 -0.010 0.000 0.298 530 F C 2.093 177.903 175.800 0.017 0.000 1.104 530 F CA 1.698 59.704 58.000 0.009 0.000 1.232 530 F CB -0.124 38.896 39.000 0.032 0.000 0.987 530 F HN 0.161 nan 8.300 nan 0.000 0.475 531 I N 0.069 120.694 120.570 0.093 0.000 2.194 531 I HA -0.355 3.807 4.170 -0.012 0.000 0.246 531 I C 2.529 178.607 176.117 -0.065 0.000 1.093 531 I CA 1.584 62.878 61.300 -0.010 0.000 1.355 531 I CB -0.427 37.605 38.000 0.054 0.000 1.046 531 I HN 0.101 nan 8.210 nan 0.000 0.413 532 R N 0.643 121.125 120.500 -0.029 0.000 2.092 532 R HA -0.163 4.169 4.340 -0.012 0.000 0.231 532 R C 1.826 178.083 176.300 -0.073 0.000 1.119 532 R CA 1.562 57.640 56.100 -0.036 0.000 0.970 532 R CB -0.042 30.255 30.300 -0.006 0.000 0.864 532 R HN 0.279 nan 8.270 nan 0.000 0.440 533 D N -0.405 119.929 120.400 -0.110 0.000 2.091 533 D HA -0.111 4.522 4.640 -0.012 0.000 0.199 533 D C 1.924 178.099 176.300 -0.210 0.000 0.980 533 D CA 1.275 55.192 54.000 -0.139 0.000 0.831 533 D CB -0.300 40.421 40.800 -0.131 0.000 0.987 533 D HN 0.022 nan 8.370 nan 0.000 0.460 534 V N 1.522 121.208 119.914 -0.380 0.000 2.324 534 V HA -0.284 3.829 4.120 -0.012 0.000 0.250 534 V C 2.440 178.438 176.094 -0.160 0.000 1.060 534 V CA 2.019 64.110 62.300 -0.348 0.000 1.042 534 V CB -0.770 30.773 31.823 -0.467 0.000 0.650 534 V HN 0.206 nan 8.190 nan 0.000 0.450 535 A N -0.913 121.835 122.820 -0.120 0.000 2.014 535 A HA -0.178 4.135 4.320 -0.012 0.000 0.218 535 A C 2.349 179.899 177.584 -0.057 0.000 1.163 535 A CA 1.736 53.737 52.037 -0.059 0.000 0.652 535 A CB -0.370 18.602 19.000 -0.048 0.000 0.808 535 A HN 0.522 nan 8.150 nan 0.000 0.449 536 K N 0.306 120.667 120.400 -0.066 0.000 2.062 536 K HA -0.096 4.217 4.320 -0.012 0.000 0.205 536 K C 1.964 178.540 176.600 -0.040 0.000 1.051 536 K CA 1.648 57.907 56.287 -0.048 0.000 0.941 536 K CB -0.305 32.169 32.500 -0.043 0.000 0.719 536 K HN 0.408 nan 8.250 nan 0.000 0.440 537 V N -0.150 119.735 119.914 -0.049 0.000 2.427 537 V HA -0.162 3.951 4.120 -0.012 0.000 0.248 537 V C 2.187 178.270 176.094 -0.018 0.000 1.051 537 V CA 1.957 64.239 62.300 -0.030 0.000 1.048 537 V CB -0.608 31.193 31.823 -0.037 0.000 0.666 537 V HN 0.180 nan 8.190 nan 0.000 0.456 538 K N 0.692 121.078 120.400 -0.023 0.000 2.148 538 K HA -0.174 4.139 4.320 -0.012 0.000 0.204 538 K C 2.240 178.822 176.600 -0.030 0.000 1.050 538 K CA 2.034 58.316 56.287 -0.008 0.000 0.942 538 K CB -0.577 31.931 32.500 0.014 0.000 0.724 538 K HN 0.564 nan 8.250 nan 0.000 0.446 539 Q N 0.880 120.656 119.800 -0.040 0.000 2.123 539 Q HA -0.031 4.301 4.340 -0.012 0.000 0.199 539 Q C 1.557 177.543 176.000 -0.024 0.000 0.966 539 Q CA 1.717 57.487 55.803 -0.054 0.000 0.845 539 Q CB 0.024 28.732 28.738 -0.050 0.000 0.907 539 Q HN 0.503 nan 8.270 nan 0.000 0.439 540 E N -0.597 119.600 120.200 -0.005 0.000 2.107 540 E HA -0.114 4.229 4.350 -0.012 0.000 0.191 540 E C 1.605 178.232 176.600 0.044 0.000 0.982 540 E CA 0.824 57.235 56.400 0.018 0.000 0.809 540 E CB 0.052 29.760 29.700 0.014 0.000 0.756 540 E HN 0.365 nan 8.360 nan 0.000 0.459 541 N N 0.918 119.642 118.700 0.040 0.000 2.120 541 N HA -0.135 4.597 4.740 -0.012 0.000 0.188 541 N C 1.403 176.995 175.510 0.137 0.000 1.024 541 N CA 1.078 54.172 53.050 0.073 0.000 0.852 541 N CB -0.044 38.471 38.487 0.047 0.000 1.003 541 N HN 0.108 nan 8.380 nan 0.000 0.424 542 K N 0.339 120.788 120.400 0.082 0.000 2.097 542 K HA 0.037 4.350 4.320 -0.012 0.000 0.205 542 K C 1.986 178.715 176.600 0.216 0.000 1.050 542 K CA 0.587 56.946 56.287 0.120 0.000 0.938 542 K CB -0.087 32.232 32.500 -0.302 0.000 0.718 542 K HN 0.121 nan 8.250 nan 0.000 0.442 543 L N 0.990 122.283 121.223 0.117 0.000 2.109 543 L HA -0.129 4.204 4.340 -0.012 0.000 0.207 543 L C 2.573 179.532 176.870 0.150 0.000 1.086 543 L CA 1.005 55.915 54.840 0.117 0.000 0.760 543 L CB -0.192 41.908 42.059 0.068 0.000 0.910 543 L HN 0.089 nan 8.230 nan 0.000 0.437 544 K N -0.298 120.199 120.400 0.163 0.000 2.057 544 K HA -0.178 4.135 4.320 -0.012 0.000 0.206 544 K C 2.170 178.915 176.600 0.242 0.000 1.050 544 K CA 1.447 57.837 56.287 0.173 0.000 0.935 544 K CB -0.191 32.400 32.500 0.151 0.000 0.715 544 K HN 0.111 nan 8.250 nan 0.000 0.439 545 F N 1.484 121.525 119.950 0.151 0.000 2.146 545 F HA -0.094 4.426 4.527 -0.012 0.000 0.298 545 F C 2.067 178.001 175.800 0.223 0.000 1.096 545 F CA 1.223 59.325 58.000 0.169 0.000 1.275 545 F CB -0.422 38.674 39.000 0.159 0.000 1.008 545 F HN 0.015 nan 8.300 nan 0.000 0.480 546 A N 0.046 122.976 122.820 0.184 0.000 1.972 546 A HA -0.018 4.295 4.320 -0.012 0.000 0.219 546 A C 2.373 179.960 177.584 0.005 0.000 1.169 546 A CA 1.662 53.737 52.037 0.064 0.000 0.635 546 A CB -1.378 17.724 19.000 0.171 0.000 0.810 546 A HN 0.455 nan 8.150 nan 0.000 0.446 547 A N -1.269 121.589 122.820 0.064 0.000 1.854 547 A HA -0.018 4.295 4.320 -0.012 0.000 0.214 547 A C 2.112 179.718 177.584 0.037 0.000 1.192 547 A CA 1.448 53.521 52.037 0.061 0.000 0.611 547 A CB -0.925 18.128 19.000 0.087 0.000 0.832 547 A HN 0.759 nan 8.150 nan 0.000 0.442 548 Y N 0.188 120.439 120.300 -0.081 0.000 2.193 548 Y HA -0.222 4.321 4.550 -0.012 0.000 0.285 548 Y C 1.860 177.679 175.900 -0.134 0.000 1.166 548 Y CA 1.695 59.738 58.100 -0.095 0.000 1.181 548 Y CB -0.333 38.078 38.460 -0.081 0.000 0.976 548 Y HN 0.190 nan 8.280 nan 0.000 0.520 549 L N 0.867 122.036 121.223 -0.090 0.000 2.042 549 L HA -0.201 4.132 4.340 -0.012 0.000 0.210 549 L C 2.343 179.173 176.870 -0.067 0.000 1.076 549 L CA 2.024 56.798 54.840 -0.111 0.000 0.749 549 L CB -1.054 40.871 42.059 -0.223 0.000 0.893 549 L HN 0.352 nan 8.230 nan 0.000 0.432 550 E N -1.551 118.613 120.200 -0.059 0.000 2.112 550 E HA -0.145 4.198 4.350 -0.012 0.000 0.190 550 E C 2.281 178.836 176.600 -0.075 0.000 0.979 550 E CA 0.375 56.762 56.400 -0.021 0.000 0.814 550 E CB 0.090 29.812 29.700 0.036 0.000 0.762 550 E HN 0.360 nan 8.360 nan 0.000 0.460 551 R N 0.753 121.175 120.500 -0.131 0.000 2.096 551 R HA -0.173 4.160 4.340 -0.012 0.000 0.229 551 R C 2.009 178.148 176.300 -0.267 0.000 1.134 551 R CA 1.712 57.709 56.100 -0.172 0.000 0.917 551 R CB -0.072 30.117 30.300 -0.186 0.000 0.832 551 R HN -0.007 nan 8.270 nan 0.000 0.430 552 E N -1.707 118.204 120.200 -0.483 0.000 2.385 552 E HA -0.054 4.289 4.350 -0.012 0.000 0.194 552 E C 0.688 176.824 176.600 -0.774 0.000 1.013 552 E CA 0.752 56.744 56.400 -0.679 0.000 0.866 552 E CB 0.418 29.511 29.700 -1.012 0.000 0.832 552 E HN 0.376 nan 8.360 nan 0.000 0.500 553 Y N -0.041 120.137 120.300 -0.203 0.000 2.423 553 Y HA 0.280 4.822 4.550 -0.012 0.000 0.257 553 Y C -0.388 175.479 175.900 -0.056 0.000 1.087 553 Y CA -0.471 57.570 58.100 -0.097 0.000 1.258 553 Y CB 0.702 39.118 38.460 -0.074 0.000 1.237 553 Y HN -0.330 nan 8.280 nan 0.000 0.517 554 K N 1.097 121.525 120.400 0.048 0.000 6.088 554 K HA -0.086 4.227 4.320 -0.012 0.000 0.624 554 K C -0.489 176.151 176.600 0.066 0.000 1.685 554 K CA 0.989 57.301 56.287 0.041 0.000 1.516 554 K CB -1.392 31.119 32.500 0.018 0.000 1.815 554 K HN 0.393 nan 8.250 nan 0.000 0.319 555 V N -2.614 117.344 119.914 0.073 0.000 5.969 555 V HA -0.006 4.106 4.120 -0.012 0.000 0.899 555 V C -0.130 176.039 176.094 0.125 0.000 2.504 555 V CA -0.014 62.340 62.300 0.091 0.000 4.677 555 V CB -1.157 30.715 31.823 0.080 0.000 0.137 555 V HN 1.013 nan 8.190 nan 0.000 0.650 556 H N 1.175 120.250 119.070 0.008 0.000 2.892 556 H HA -0.088 4.461 4.556 -0.012 0.000 0.274 556 H C -0.344 174.986 175.328 0.004 0.000 0.794 556 H CA 1.850 57.904 56.048 0.009 0.000 1.128 556 H CB 0.088 29.860 29.762 0.017 0.000 1.126 556 H HN 1.314 nan 8.280 nan 0.000 0.623 557 I N 0.235 120.452 120.570 -0.588 0.000 3.006 557 I HA 0.391 4.554 4.170 -0.012 0.000 0.306 557 I C -0.743 175.123 176.117 -0.418 0.000 1.250 557 I CA -1.283 59.813 61.300 -0.340 0.000 0.996 557 I CB 2.169 40.053 38.000 -0.192 0.000 1.261 557 I HN 0.617 nan 8.210 nan 0.000 0.442 558 N N 4.257 122.898 118.700 -0.099 0.000 2.439 558 N HA 0.486 5.219 4.740 -0.012 0.000 0.249 558 N C -2.125 173.471 175.510 0.144 0.000 1.003 558 N CA -2.554 50.504 53.050 0.013 0.000 0.942 558 N CB 1.314 39.836 38.487 0.058 0.000 1.115 558 N HN 0.379 nan 8.380 nan 0.000 0.505 559 P HA 0.077 nan 4.420 nan 0.000 0.242 559 P C -0.153 177.098 177.300 -0.083 0.000 1.197 559 P CA 0.846 63.979 63.100 0.056 0.000 0.765 559 P CB 0.150 31.880 31.700 0.050 0.000 0.936 560 N N -1.101 117.597 118.700 -0.005 0.000 2.299 560 N HA 0.015 4.748 4.740 -0.012 0.000 0.187 560 N C 0.496 176.015 175.510 0.015 0.000 1.099 560 N CA -0.126 52.918 53.050 -0.010 0.000 0.867 560 N CB 0.166 38.667 38.487 0.023 0.000 0.974 560 N HN 0.135 nan 8.380 nan 0.000 0.477 561 S N 0.082 115.795 115.700 0.021 0.000 2.655 561 S HA 0.244 4.707 4.470 -0.012 0.000 0.265 561 S C 0.003 174.535 174.600 -0.113 0.000 1.240 561 S CA -0.862 57.339 58.200 0.003 0.000 0.986 561 S CB 1.034 64.268 63.200 0.055 0.000 0.985 561 S HN 0.130 nan 8.310 nan 0.000 0.562 562 L N 1.266 122.295 121.223 -0.324 0.000 2.319 562 L HA 0.403 4.736 4.340 -0.012 0.000 0.280 562 L C -0.986 175.852 176.870 -0.053 0.000 1.099 562 L CA -0.605 53.858 54.840 -0.627 0.000 0.828 562 L CB 0.022 41.467 42.059 -1.024 0.000 1.150 562 L HN 0.702 nan 8.230 nan 0.000 0.442 563 F N 4.015 123.826 119.950 -0.231 0.000 2.377 563 F HA 0.099 4.620 4.527 -0.011 0.000 0.360 563 F C 0.399 176.123 175.800 -0.127 0.000 1.147 563 F CA -0.850 57.078 58.000 -0.118 0.000 1.170 563 F CB 0.584 39.561 39.000 -0.038 0.000 1.339 563 F HN 0.507 nan 8.300 nan 0.000 0.552 564 D N 4.787 125.184 120.400 -0.004 0.000 2.441 564 D HA 0.175 4.808 4.640 -0.012 0.000 0.221 564 D C -0.904 175.331 176.300 -0.108 0.000 1.156 564 D CA 0.112 54.063 54.000 -0.081 0.000 0.896 564 D CB 1.100 41.843 40.800 -0.095 0.000 1.028 564 D HN 0.244 nan 8.370 nan 0.000 0.509 565 V N 2.869 122.703 119.914 -0.133 0.000 2.604 565 V HA 0.537 4.649 4.120 -0.012 0.000 0.305 565 V C -1.230 174.728 176.094 -0.226 0.000 1.043 565 V CA -0.697 61.511 62.300 -0.154 0.000 0.888 565 V CB 1.900 33.676 31.823 -0.078 0.000 0.995 565 V HN 0.470 nan 8.190 nan 0.000 0.429 566 Q N 4.656 124.335 119.800 -0.201 0.000 2.394 566 Q HA 0.639 4.972 4.340 -0.012 0.000 0.261 566 Q C -1.433 174.413 176.000 -0.257 0.000 1.023 566 Q CA -0.640 55.035 55.803 -0.212 0.000 0.720 566 Q CB 1.846 30.483 28.738 -0.169 0.000 1.241 566 Q HN 1.116 nan 8.270 nan 0.000 0.483 567 V N 2.236 121.982 119.914 -0.280 0.000 2.407 567 V HA 0.839 4.952 4.120 -0.012 0.000 0.291 567 V C -0.820 174.986 176.094 -0.481 0.000 1.018 567 V CA -0.559 61.378 62.300 -0.605 0.000 0.842 567 V CB 1.202 32.439 31.823 -0.977 0.000 0.996 567 V HN 0.781 nan 8.190 nan 0.000 0.426 568 K N 2.867 123.046 120.400 -0.369 0.000 2.809 568 K HA 0.443 4.755 4.320 -0.012 0.000 0.293 568 K C -1.251 175.361 176.600 0.020 0.000 1.061 568 K CA -1.053 55.206 56.287 -0.047 0.000 0.837 568 K CB 1.083 33.552 32.500 -0.052 0.000 1.524 568 K HN 0.465 nan 8.250 nan 0.000 0.370 569 R N 0.740 121.309 120.500 0.115 0.000 2.734 569 R HA 0.197 4.530 4.340 -0.012 0.000 0.266 569 R C 0.391 176.712 176.300 0.036 0.000 1.044 569 R CA -0.334 55.837 56.100 0.118 0.000 1.128 569 R CB -0.121 30.291 30.300 0.186 0.000 1.010 569 R HN 0.476 nan 8.270 nan 0.000 0.461 570 I N 4.147 124.710 120.570 -0.013 0.000 2.436 570 I HA 0.113 4.276 4.170 -0.012 0.000 0.289 570 I C 0.733 176.717 176.117 -0.221 0.000 1.083 570 I CA 0.554 61.791 61.300 -0.104 0.000 1.372 570 I CB -0.166 37.767 38.000 -0.112 0.000 1.408 570 I HN 0.276 nan 8.210 nan 0.000 0.516 571 H N 4.212 123.178 119.070 -0.173 0.000 3.016 571 H HA 0.264 4.813 4.556 -0.012 0.000 0.362 571 H C 0.355 175.565 175.328 -0.196 0.000 1.233 571 H CA -0.473 55.507 56.048 -0.114 0.000 1.124 571 H CB 2.196 31.829 29.762 -0.215 0.000 1.850 571 H HN 0.515 nan 8.280 nan 0.000 0.549 572 E N 0.955 121.232 120.200 0.128 0.000 2.107 572 E HA -0.155 4.188 4.350 -0.012 0.000 0.191 572 E C 1.395 177.755 176.600 -0.399 0.000 0.982 572 E CA 0.987 57.385 56.400 -0.003 0.000 0.809 572 E CB 0.092 29.976 29.700 0.307 0.000 0.756 572 E HN 0.530 nan 8.360 nan 0.000 0.459 573 Y N 0.810 120.590 120.300 -0.867 0.000 2.421 573 Y HA 0.000 4.543 4.550 -0.012 0.000 0.292 573 Y C 1.499 177.138 175.900 -0.434 0.000 1.136 573 Y CA 0.684 58.113 58.100 -1.119 0.000 1.255 573 Y CB 0.026 37.855 38.460 -1.053 0.000 0.991 573 Y HN -0.209 nan 8.280 nan 0.000 0.552 574 K N 0.994 120.952 120.400 -0.737 0.000 2.366 574 K HA 0.031 4.344 4.320 -0.012 0.000 0.198 574 K C 0.212 176.645 176.600 -0.277 0.000 1.044 574 K CA 0.642 56.605 56.287 -0.540 0.000 0.973 574 K CB -0.132 32.061 32.500 -0.512 0.000 0.767 574 K HN 0.383 nan 8.250 nan 0.000 0.475 575 R N 0.877 121.243 120.500 -0.224 0.000 3.336 575 R HA -0.189 4.144 4.340 -0.012 0.000 0.260 575 R C 0.584 176.806 176.300 -0.130 0.000 1.032 575 R CA 0.214 56.232 56.100 -0.138 0.000 0.693 575 R CB -1.965 28.267 30.300 -0.113 0.000 1.134 575 R HN 0.227 nan 8.270 nan 0.000 0.433 576 Q N 0.151 119.875 119.800 -0.128 0.000 2.291 576 Q HA -0.030 4.303 4.340 -0.012 0.000 0.206 576 Q C 1.826 177.775 176.000 -0.084 0.000 0.976 576 Q CA 1.300 57.040 55.803 -0.105 0.000 0.875 576 Q CB 0.077 28.756 28.738 -0.097 0.000 0.927 576 Q HN 0.599 nan 8.270 nan 0.000 0.450 577 L N -0.709 120.467 121.223 -0.078 0.000 2.056 577 L HA -0.167 4.166 4.340 -0.012 0.000 0.207 577 L C 1.970 178.831 176.870 -0.016 0.000 1.078 577 L CA 0.567 55.375 54.840 -0.054 0.000 0.749 577 L CB -0.297 41.742 42.059 -0.034 0.000 0.901 577 L HN 0.313 nan 8.230 nan 0.000 0.433 578 L N 0.060 121.261 121.223 -0.037 0.000 2.083 578 L HA -0.246 4.086 4.340 -0.012 0.000 0.209 578 L C 2.002 178.867 176.870 -0.009 0.000 1.083 578 L CA 1.900 56.714 54.840 -0.043 0.000 0.752 578 L CB -0.784 41.151 42.059 -0.208 0.000 0.899 578 L HN 0.289 nan 8.230 nan 0.000 0.433 579 N N -1.874 116.806 118.700 -0.033 0.000 2.166 579 N HA -0.221 4.512 4.740 -0.012 0.000 0.186 579 N C 1.916 177.505 175.510 0.131 0.000 1.019 579 N CA 1.458 54.572 53.050 0.106 0.000 0.856 579 N CB -0.117 38.382 38.487 0.020 0.000 0.993 579 N HN 0.481 nan 8.380 nan 0.000 0.426 580 C N 0.404 119.721 119.300 0.028 0.000 2.429 580 C HA -0.030 4.422 4.460 -0.012 0.000 0.277 580 C C 2.549 177.540 174.990 0.001 0.000 1.262 580 C CA 0.291 59.285 59.018 -0.040 0.000 1.733 580 C CB -1.188 26.475 27.740 -0.128 0.000 2.010 580 C HN 0.517 nan 8.230 nan 0.000 0.483 581 L N -0.272 121.011 121.223 0.101 0.000 2.083 581 L HA -0.199 4.133 4.340 -0.012 0.000 0.209 581 L C 2.755 179.791 176.870 0.276 0.000 1.083 581 L CA 1.778 56.727 54.840 0.182 0.000 0.752 581 L CB -1.011 41.222 42.059 0.290 0.000 0.899 581 L HN 0.596 nan 8.230 nan 0.000 0.433 582 H N -0.267 118.932 119.070 0.215 0.000 2.357 582 H HA -0.133 4.415 4.556 -0.012 0.000 0.301 582 H C 2.240 177.583 175.328 0.025 0.000 1.082 582 H CA 1.794 57.902 56.048 0.100 0.000 1.342 582 H CB 0.341 30.138 29.762 0.059 0.000 1.389 582 H HN 0.091 nan 8.280 nan 0.000 0.511 583 V N 1.393 121.234 119.914 -0.121 0.000 2.407 583 V HA -0.255 3.858 4.120 -0.012 0.000 0.248 583 V C 2.743 178.779 176.094 -0.096 0.000 1.055 583 V CA 1.781 63.967 62.300 -0.190 0.000 1.049 583 V CB -0.444 31.314 31.823 -0.109 0.000 0.662 583 V HN 0.384 nan 8.190 nan 0.000 0.455 584 I N -0.504 120.049 120.570 -0.029 0.000 2.439 584 I HA -0.186 3.977 4.170 -0.012 0.000 0.251 584 I C 2.467 178.656 176.117 0.119 0.000 1.139 584 I CA 1.473 62.827 61.300 0.090 0.000 1.438 584 I CB -0.535 37.498 38.000 0.055 0.000 1.085 584 I HN 0.293 nan 8.210 nan 0.000 0.427 585 T N 1.131 115.712 114.554 0.046 0.000 2.708 585 T HA -0.150 4.193 4.350 -0.012 0.000 0.266 585 T C 1.877 176.547 174.700 -0.049 0.000 1.037 585 T CA 1.240 63.358 62.100 0.030 0.000 1.146 585 T CB -0.244 68.669 68.868 0.075 0.000 0.865 585 T HN 0.076 nan 8.240 nan 0.000 0.435 586 L N 0.166 121.294 121.223 -0.159 0.000 2.042 586 L HA -0.055 4.278 4.340 -0.012 0.000 0.210 586 L C 2.083 178.922 176.870 -0.052 0.000 1.076 586 L CA 1.624 56.363 54.840 -0.169 0.000 0.749 586 L CB -0.979 40.909 42.059 -0.285 0.000 0.893 586 L HN 0.385 nan 8.230 nan 0.000 0.432 587 Y N 0.030 120.272 120.300 -0.097 0.000 2.145 587 Y HA -0.274 4.269 4.550 -0.012 0.000 0.286 587 Y C 2.440 178.321 175.900 -0.031 0.000 1.145 587 Y CA 1.752 59.831 58.100 -0.036 0.000 1.148 587 Y CB -0.088 38.396 38.460 0.040 0.000 0.981 587 Y HN 0.253 nan 8.280 nan 0.000 0.507 588 N N 0.513 119.154 118.700 -0.098 0.000 2.223 588 N HA -0.140 4.593 4.740 -0.012 0.000 0.185 588 N C 1.762 177.156 175.510 -0.194 0.000 1.016 588 N CA 1.439 54.369 53.050 -0.200 0.000 0.863 588 N CB -0.299 38.142 38.487 -0.076 0.000 0.983 588 N HN 0.451 nan 8.380 nan 0.000 0.429 589 R N 0.094 120.510 120.500 -0.140 0.000 2.115 589 R HA 0.138 4.471 4.340 -0.012 0.000 0.226 589 R C 2.122 178.338 176.300 -0.141 0.000 1.100 589 R CA 0.569 56.597 56.100 -0.121 0.000 0.980 589 R CB -0.120 30.122 30.300 -0.096 0.000 0.875 589 R HN 0.212 nan 8.270 nan 0.000 0.445 590 I N 0.861 121.327 120.570 -0.173 0.000 2.315 590 I HA -0.240 3.923 4.170 -0.012 0.000 0.248 590 I C 1.963 177.966 176.117 -0.191 0.000 1.117 590 I CA 1.138 62.339 61.300 -0.166 0.000 1.404 590 I CB -0.023 37.885 38.000 -0.153 0.000 1.071 590 I HN 0.002 nan 8.210 nan 0.000 0.419 591 K N 0.657 120.880 120.400 -0.295 0.000 2.211 591 K HA -0.179 4.133 4.320 -0.012 0.000 0.203 591 K C 2.014 178.513 176.600 -0.168 0.000 1.050 591 K CA 0.973 57.097 56.287 -0.271 0.000 0.945 591 K CB -0.222 32.032 32.500 -0.411 0.000 0.732 591 K HN 0.122 nan 8.250 nan 0.000 0.451 592 K N 1.966 122.274 120.400 -0.153 0.000 2.031 592 K HA -0.082 4.231 4.320 -0.012 0.000 0.205 592 K C 0.149 176.702 176.600 -0.079 0.000 1.049 592 K CA 1.302 57.525 56.287 -0.106 0.000 0.939 592 K CB 0.252 32.694 32.500 -0.098 0.000 0.717 592 K HN 0.094 nan 8.250 nan 0.000 0.438 593 E N 0.609 120.762 120.200 -0.079 0.000 3.037 593 E HA 0.178 4.521 4.350 -0.012 0.000 0.220 593 E C -2.331 174.235 176.600 -0.057 0.000 1.142 593 E CA -1.789 54.578 56.400 -0.055 0.000 0.888 593 E CB 1.540 31.214 29.700 -0.043 0.000 1.329 593 E HN 0.098 nan 8.360 nan 0.000 0.409 594 P HA -0.174 nan 4.420 nan 0.000 0.216 594 P C 0.354 177.638 177.300 -0.027 0.000 1.153 594 P CA 1.289 64.360 63.100 -0.049 0.000 0.858 594 P CB 0.157 31.833 31.700 -0.040 0.000 0.789 595 N N -1.046 117.647 118.700 -0.012 0.000 2.362 595 N HA 0.014 4.747 4.740 -0.012 0.000 0.211 595 N C 0.402 175.929 175.510 0.027 0.000 1.170 595 N CA 0.099 53.154 53.050 0.009 0.000 0.828 595 N CB -0.131 38.362 38.487 0.010 0.000 1.034 595 N HN 0.070 nan 8.380 nan 0.000 0.475 596 K N 0.999 121.408 120.400 0.015 0.000 2.156 596 K HA 0.164 4.476 4.320 -0.012 0.000 0.271 596 K C -0.964 175.671 176.600 0.059 0.000 0.995 596 K CA -0.636 55.674 56.287 0.039 0.000 0.890 596 K CB 0.686 33.190 32.500 0.006 0.000 1.073 596 K HN -0.023 nan 8.250 nan 0.000 0.454 597 F N 4.904 124.841 119.950 -0.021 0.000 2.456 597 F HA 0.218 4.738 4.527 -0.012 0.000 0.358 597 F C -0.433 175.354 175.800 -0.022 0.000 1.095 597 F CA -0.162 57.827 58.000 -0.019 0.000 1.216 597 F CB 0.620 39.611 39.000 -0.015 0.000 1.125 597 F HN 0.182 nan 8.300 nan 0.000 0.549 598 V N 4.262 123.574 119.914 -1.002 0.000 2.876 598 V HA 0.546 4.659 4.120 -0.012 0.000 0.312 598 V C -0.723 174.755 176.094 -1.026 0.000 1.085 598 V CA -1.223 60.635 62.300 -0.738 0.000 0.945 598 V CB 0.994 32.598 31.823 -0.366 0.000 1.017 598 V HN 0.567 nan 8.190 nan 0.000 0.428 599 V N 4.717 124.299 119.914 -0.553 0.000 2.493 599 V HA 0.193 4.306 4.120 -0.012 0.000 0.292 599 V C -1.819 174.109 176.094 -0.276 0.000 1.016 599 V CA -0.463 61.652 62.300 -0.308 0.000 1.097 599 V CB 0.408 32.175 31.823 -0.094 0.000 0.947 599 V HN 0.910 nan 8.190 nan 0.000 0.479 600 P HA 0.352 nan 4.420 nan 0.000 0.268 600 P C -0.472 176.737 177.300 -0.152 0.000 1.205 600 P CA -0.083 62.928 63.100 -0.147 0.000 0.771 600 P CB 0.540 32.201 31.700 -0.065 0.000 0.858 601 R N 0.883 121.306 120.500 -0.128 0.000 2.673 601 R HA 0.601 4.934 4.340 -0.012 0.000 0.281 601 R C -0.848 175.411 176.300 -0.069 0.000 0.991 601 R CA -0.579 55.447 56.100 -0.123 0.000 0.896 601 R CB 1.966 32.175 30.300 -0.152 0.000 1.201 601 R HN 0.279 nan 8.270 nan 0.000 0.457 602 T N 2.055 116.588 114.554 -0.034 0.000 2.864 602 T HA 0.206 4.548 4.350 -0.012 0.000 0.310 602 T C -0.876 173.747 174.700 -0.129 0.000 1.040 602 T CA -0.533 61.516 62.100 -0.085 0.000 0.977 602 T CB 1.090 69.878 68.868 -0.134 0.000 0.976 602 T HN 0.339 nan 8.240 nan 0.000 0.459 603 V N 5.250 125.091 119.914 -0.123 0.000 2.383 603 V HA 0.694 4.807 4.120 -0.012 0.000 0.275 603 V C -0.550 175.461 176.094 -0.137 0.000 1.036 603 V CA -0.672 61.557 62.300 -0.118 0.000 0.889 603 V CB 0.767 32.539 31.823 -0.085 0.000 0.985 603 V HN 0.858 nan 8.190 nan 0.000 0.459 604 M N 7.658 127.163 119.600 -0.159 0.000 2.167 604 M HA 0.591 5.063 4.480 -0.012 0.000 0.333 604 M C -0.909 175.277 176.300 -0.189 0.000 1.030 604 M CA -0.192 55.004 55.300 -0.174 0.000 0.963 604 M CB 1.856 34.344 32.600 -0.187 0.000 1.589 604 M HN 0.510 nan 8.290 nan 0.000 0.431 605 I N 2.225 122.673 120.570 -0.204 0.000 2.406 605 I HA 0.767 4.930 4.170 -0.012 0.000 0.290 605 I C 0.205 176.021 176.117 -0.502 0.000 0.999 605 I CA -0.589 60.571 61.300 -0.234 0.000 1.124 605 I CB 2.006 39.958 38.000 -0.080 0.000 1.289 605 I HN 0.796 nan 8.210 nan 0.000 0.441 606 G N 3.173 111.642 108.800 -0.551 0.000 2.619 606 G HA2 0.857 4.810 3.960 -0.012 0.000 0.296 606 G HA3 0.857 4.810 3.960 -0.012 0.000 0.296 606 G C -0.885 173.730 174.900 -0.474 0.000 1.334 606 G CA -0.877 43.761 45.100 -0.769 0.000 0.934 606 G HN 0.961 nan 8.290 nan 0.000 0.476 607 G N -0.468 108.195 108.800 -0.229 0.000 2.352 607 G HA2 0.401 4.354 3.960 -0.012 0.000 0.305 607 G HA3 0.401 4.354 3.960 -0.012 0.000 0.305 607 G C -1.430 173.598 174.900 0.213 0.000 1.537 607 G CA -1.016 44.117 45.100 0.056 0.000 0.959 607 G HN 0.608 nan 8.290 nan 0.000 0.668 608 K N -0.212 120.307 120.400 0.198 0.000 2.123 608 K HA 0.779 5.092 4.320 -0.012 0.000 0.259 608 K C 0.196 176.908 176.600 0.187 0.000 0.960 608 K CA -0.210 56.208 56.287 0.218 0.000 0.872 608 K CB 2.050 34.590 32.500 0.067 0.000 1.079 608 K HN 0.915 nan 8.250 nan 0.000 0.440 609 A N 1.517 124.478 122.820 0.235 0.000 2.317 609 A HA 0.677 4.990 4.320 -0.012 0.000 0.327 609 A C -0.532 177.196 177.584 0.242 0.000 1.178 609 A CA -0.730 51.378 52.037 0.118 0.000 0.817 609 A CB 1.081 20.081 19.000 -0.000 0.000 1.189 609 A HN 0.778 nan 8.150 nan 0.000 0.489 610 A N 3.471 126.411 122.820 0.200 0.000 2.511 610 A HA 0.479 4.792 4.320 -0.012 0.000 0.242 610 A C -1.414 176.241 177.584 0.118 0.000 1.069 610 A CA -0.821 51.345 52.037 0.216 0.000 0.763 610 A CB -0.350 18.741 19.000 0.150 0.000 1.001 610 A HN 0.594 nan 8.150 nan 0.000 0.498 611 P HA -0.144 nan 4.420 nan 0.000 0.217 611 P C 1.366 178.650 177.300 -0.027 0.000 1.148 611 P CA 1.987 65.027 63.100 -0.099 0.000 0.828 611 P CB 0.191 31.772 31.700 -0.199 0.000 0.783 612 G N -2.977 105.824 108.800 0.002 0.000 3.042 612 G HA2 -0.117 3.836 3.960 -0.012 0.000 0.212 612 G HA3 -0.117 3.836 3.960 -0.012 0.000 0.212 612 G C 0.010 174.932 174.900 0.037 0.000 1.166 612 G CA -0.156 44.944 45.100 0.001 0.000 0.767 612 G HN 0.304 nan 8.290 nan 0.000 0.546 613 Y N 2.014 122.247 120.300 -0.110 0.000 2.594 613 Y HA 0.123 4.665 4.550 -0.012 0.000 0.344 613 Y C 1.780 177.663 175.900 -0.029 0.000 1.185 613 Y CA -0.929 57.097 58.100 -0.124 0.000 1.565 613 Y CB 0.016 38.369 38.460 -0.179 0.000 1.415 613 Y HN 0.307 nan 8.280 nan 0.000 0.488 614 H N 3.761 122.957 119.070 0.210 0.000 2.290 614 H HA -0.230 4.319 4.556 -0.012 0.000 0.298 614 H C 1.863 177.238 175.328 0.079 0.000 1.087 614 H CA 2.253 58.369 56.048 0.114 0.000 1.291 614 H CB 0.358 30.175 29.762 0.091 0.000 1.369 614 H HN 0.695 nan 8.280 nan 0.000 0.492 615 M N 1.168 120.752 119.600 -0.028 0.000 2.080 615 M HA -0.099 4.373 4.480 -0.012 0.000 0.260 615 M C 2.602 178.663 176.300 -0.399 0.000 1.068 615 M CA 1.927 57.121 55.300 -0.177 0.000 1.109 615 M CB -0.944 31.713 32.600 0.095 0.000 1.342 615 M HN 0.358 nan 8.290 nan 0.000 0.405 616 A N -0.694 121.635 122.820 -0.818 0.000 1.972 616 A HA -0.196 4.117 4.320 -0.012 0.000 0.219 616 A C 2.175 179.540 177.584 -0.365 0.000 1.169 616 A CA 1.830 53.396 52.037 -0.786 0.000 0.635 616 A CB -0.666 17.583 19.000 -1.251 0.000 0.810 616 A HN 0.610 nan 8.150 nan 0.000 0.446 617 K N -1.379 118.870 120.400 -0.252 0.000 2.243 617 K HA 0.070 4.383 4.320 -0.012 0.000 0.201 617 K C 1.728 178.291 176.600 -0.061 0.000 1.051 617 K CA 0.729 56.963 56.287 -0.088 0.000 0.970 617 K CB -0.114 32.398 32.500 0.021 0.000 0.755 617 K HN 0.309 nan 8.250 nan 0.000 0.465 618 M N 0.613 120.119 119.600 -0.157 0.000 2.200 618 M HA -0.031 4.442 4.480 -0.012 0.000 0.265 618 M C 2.010 178.255 176.300 -0.091 0.000 1.066 618 M CA 1.332 56.578 55.300 -0.090 0.000 1.127 618 M CB -0.455 32.047 32.600 -0.163 0.000 1.379 618 M HN 0.098 nan 8.290 nan 0.000 0.420 619 I N -0.427 120.050 120.570 -0.155 0.000 2.315 619 I HA -0.289 3.873 4.170 -0.012 0.000 0.248 619 I C 2.219 178.213 176.117 -0.205 0.000 1.117 619 I CA 0.983 62.183 61.300 -0.166 0.000 1.404 619 I CB -0.273 37.623 38.000 -0.173 0.000 1.071 619 I HN 0.160 nan 8.210 nan 0.000 0.419 620 I N 0.643 121.069 120.570 -0.239 0.000 2.286 620 I HA -0.286 3.877 4.170 -0.012 0.000 0.248 620 I C 2.534 178.369 176.117 -0.471 0.000 1.115 620 I CA 1.159 62.219 61.300 -0.400 0.000 1.392 620 I CB -0.212 37.537 38.000 -0.419 0.000 1.065 620 I HN 0.140 nan 8.210 nan 0.000 0.418 621 K N 1.351 121.500 120.400 -0.417 0.000 2.148 621 K HA -0.107 4.205 4.320 -0.012 0.000 0.204 621 K C 1.978 178.429 176.600 -0.248 0.000 1.050 621 K CA 1.328 57.286 56.287 -0.547 0.000 0.942 621 K CB -0.415 31.494 32.500 -0.985 0.000 0.724 621 K HN 0.223 nan 8.250 nan 0.000 0.446 622 L N 0.342 121.458 121.223 -0.179 0.000 2.027 622 L HA -0.132 4.201 4.340 -0.012 0.000 0.206 622 L C 2.124 178.766 176.870 -0.379 0.000 1.074 622 L CA 1.583 56.168 54.840 -0.425 0.000 0.745 622 L CB -0.295 41.448 42.059 -0.527 0.000 0.898 622 L HN 0.233 nan 8.230 nan 0.000 0.433 623 I N -0.042 120.353 120.570 -0.292 0.000 2.163 623 I HA -0.353 3.810 4.170 -0.012 0.000 0.243 623 I C 2.614 178.620 176.117 -0.185 0.000 1.085 623 I CA 2.028 63.203 61.300 -0.208 0.000 1.347 623 I CB -0.681 37.269 38.000 -0.083 0.000 1.044 623 I HN 0.437 nan 8.210 nan 0.000 0.408 624 T N -0.929 113.484 114.554 -0.234 0.000 2.867 624 T HA -0.026 4.317 4.350 -0.012 0.000 0.268 624 T C 1.946 176.572 174.700 -0.123 0.000 1.057 624 T CA 0.883 62.877 62.100 -0.176 0.000 1.136 624 T CB -0.364 68.353 68.868 -0.250 0.000 0.874 624 T HN 0.348 nan 8.240 nan 0.000 0.466 625 A N 1.345 124.085 122.820 -0.132 0.000 1.930 625 A HA 0.190 4.503 4.320 -0.012 0.000 0.217 625 A C 2.328 179.906 177.584 -0.009 0.000 1.175 625 A CA 1.115 53.137 52.037 -0.024 0.000 0.627 625 A CB -0.738 18.320 19.000 0.097 0.000 0.815 625 A HN 0.581 nan 8.150 nan 0.000 0.443 626 I N -0.338 120.127 120.570 -0.174 0.000 2.252 626 I HA -0.155 4.008 4.170 -0.012 0.000 0.245 626 I C 2.673 178.737 176.117 -0.088 0.000 1.102 626 I CA 1.092 62.276 61.300 -0.195 0.000 1.385 626 I CB -0.492 37.280 38.000 -0.381 0.000 1.064 626 I HN 0.374 nan 8.210 nan 0.000 0.414 627 G N 0.228 108.969 108.800 -0.098 0.000 2.432 627 G HA2 -0.239 3.713 3.960 -0.012 0.000 0.219 627 G HA3 -0.239 3.713 3.960 -0.012 0.000 0.219 627 G C 1.260 176.119 174.900 -0.068 0.000 1.135 627 G CA 0.841 45.887 45.100 -0.090 0.000 0.767 627 G HN 0.271 nan 8.290 nan 0.000 0.550 628 D N 0.092 120.498 120.400 0.010 0.000 2.117 628 D HA -0.076 4.556 4.640 -0.012 0.000 0.197 628 D C 2.741 179.126 176.300 0.142 0.000 0.987 628 D CA 0.655 54.730 54.000 0.125 0.000 0.829 628 D CB -0.225 40.626 40.800 0.085 0.000 0.961 628 D HN 0.229 nan 8.370 nan 0.000 0.460 629 V N 0.363 120.290 119.914 0.021 0.000 2.273 629 V HA -0.163 3.950 4.120 -0.012 0.000 0.242 629 V C 2.654 178.668 176.094 -0.132 0.000 1.035 629 V CA 0.908 63.162 62.300 -0.076 0.000 1.013 629 V CB -0.479 31.251 31.823 -0.156 0.000 0.652 629 V HN 0.022 nan 8.190 nan 0.000 0.452 630 V N 0.983 120.750 119.914 -0.245 0.000 2.332 630 V HA -0.242 3.871 4.120 -0.012 0.000 0.248 630 V C 2.143 178.157 176.094 -0.133 0.000 1.055 630 V CA 2.164 64.314 62.300 -0.250 0.000 1.038 630 V CB -0.936 30.742 31.823 -0.243 0.000 0.651 630 V HN 0.574 nan 8.190 nan 0.000 0.450 631 N N -0.486 118.068 118.700 -0.244 0.000 2.512 631 N HA -0.080 4.652 4.740 -0.012 0.000 0.183 631 N C 1.219 176.404 175.510 -0.542 0.000 1.073 631 N CA 0.897 53.712 53.050 -0.391 0.000 0.911 631 N CB -0.270 37.912 38.487 -0.508 0.000 0.964 631 N HN 0.707 nan 8.380 nan 0.000 0.447 632 H N -1.664 117.410 119.070 0.006 0.000 2.784 632 H HA 0.200 4.749 4.556 -0.012 0.000 0.273 632 H C -0.471 174.876 175.328 0.031 0.000 1.112 632 H CA -0.501 55.555 56.048 0.013 0.000 1.162 632 H CB 0.717 30.476 29.762 -0.005 0.000 1.586 632 H HN -0.023 nan 8.280 nan 0.000 0.548 633 D N 1.970 122.439 120.400 0.114 0.000 2.325 633 D HA 0.028 4.661 4.640 -0.012 0.000 0.251 633 D C -1.601 174.761 176.300 0.103 0.000 1.196 633 D CA -1.939 52.146 54.000 0.143 0.000 0.866 633 D CB 1.666 42.624 40.800 0.265 0.000 1.101 633 D HN 0.132 nan 8.370 nan 0.000 0.476 634 P HA -0.094 nan 4.420 nan 0.000 0.221 634 P C 1.586 178.913 177.300 0.044 0.000 1.150 634 P CA 0.254 63.389 63.100 0.057 0.000 0.800 634 P CB 0.445 32.174 31.700 0.047 0.000 0.787 635 V N -0.449 119.491 119.914 0.043 0.000 2.515 635 V HA -0.158 3.955 4.120 -0.012 0.000 0.250 635 V C 2.450 178.554 176.094 0.016 0.000 1.058 635 V CA 1.448 63.760 62.300 0.019 0.000 1.064 635 V CB -0.921 30.902 31.823 -0.000 0.000 0.675 635 V HN -0.024 nan 8.190 nan 0.000 0.461 636 V N -0.238 119.703 119.914 0.044 0.000 2.427 636 V HA 0.077 4.190 4.120 -0.012 0.000 0.248 636 V C 1.771 177.878 176.094 0.023 0.000 1.051 636 V CA 1.460 63.786 62.300 0.043 0.000 1.048 636 V CB -1.151 30.742 31.823 0.117 0.000 0.666 636 V HN 0.738 nan 8.190 nan 0.000 0.456 637 G N 1.449 110.268 108.800 0.031 0.000 2.574 637 G HA2 -0.407 3.546 3.960 -0.012 0.000 0.286 637 G HA3 -0.407 3.546 3.960 -0.012 0.000 0.286 637 G C 0.254 175.168 174.900 0.023 0.000 1.212 637 G CA 0.600 45.716 45.100 0.027 0.000 0.979 637 G HN 0.724 nan 8.290 nan 0.000 0.557 638 D N -0.161 120.253 120.400 0.024 0.000 2.358 638 D HA 0.307 4.940 4.640 -0.012 0.000 0.224 638 D C 1.878 178.177 176.300 -0.001 0.000 1.123 638 D CA 0.258 54.274 54.000 0.025 0.000 0.833 638 D CB 0.113 40.944 40.800 0.053 0.000 0.946 638 D HN 0.563 nan 8.370 nan 0.000 0.505 639 R N -0.627 119.859 120.500 -0.022 0.000 2.236 639 R HA 0.267 4.600 4.340 -0.012 0.000 0.208 639 R C -0.190 176.068 176.300 -0.070 0.000 1.036 639 R CA 0.329 56.390 56.100 -0.065 0.000 1.001 639 R CB 0.152 30.394 30.300 -0.098 0.000 0.896 639 R HN 0.172 nan 8.270 nan 0.000 0.464 640 L N 0.560 121.759 121.223 -0.041 0.000 2.580 640 L HA 0.389 4.722 4.340 -0.012 0.000 0.266 640 L C -1.675 175.167 176.870 -0.046 0.000 0.955 640 L CA -0.544 54.268 54.840 -0.046 0.000 0.886 640 L CB 1.671 43.714 42.059 -0.026 0.000 1.263 640 L HN -0.155 nan 8.230 nan 0.000 0.406 641 R N 3.890 124.350 120.500 -0.066 0.000 2.621 641 R HA 0.736 5.068 4.340 -0.012 0.000 0.292 641 R C -1.456 174.786 176.300 -0.097 0.000 0.969 641 R CA -0.800 55.250 56.100 -0.083 0.000 0.887 641 R CB 2.334 32.585 30.300 -0.082 0.000 1.180 641 R HN 0.383 nan 8.270 nan 0.000 0.450 642 V N 5.166 125.019 119.914 -0.102 0.000 2.334 642 V HA 0.436 4.549 4.120 -0.012 0.000 0.281 642 V C -0.073 175.975 176.094 -0.077 0.000 1.016 642 V CA -0.612 61.631 62.300 -0.095 0.000 0.832 642 V CB 1.358 33.120 31.823 -0.101 0.000 0.999 642 V HN 0.545 nan 8.190 nan 0.000 0.439 643 I N 4.862 125.385 120.570 -0.078 0.000 2.474 643 I HA 0.452 4.615 4.170 -0.012 0.000 0.294 643 I C -0.679 175.417 176.117 -0.035 0.000 1.005 643 I CA -0.376 60.889 61.300 -0.059 0.000 1.113 643 I CB 1.923 39.862 38.000 -0.102 0.000 1.289 643 I HN 0.549 nan 8.210 nan 0.000 0.436 644 F N 7.388 127.270 119.950 -0.112 0.000 2.385 644 F HA 0.466 4.986 4.527 -0.012 0.000 0.360 644 F C -0.751 174.979 175.800 -0.118 0.000 1.122 644 F CA -0.768 57.166 58.000 -0.109 0.000 1.090 644 F CB 0.669 39.610 39.000 -0.098 0.000 1.150 644 F HN 0.126 nan 8.300 nan 0.000 0.472 645 L N 6.032 126.801 121.223 -0.757 0.000 2.433 645 L HA 0.166 4.499 4.340 -0.012 0.000 0.284 645 L C 0.350 176.904 176.870 -0.527 0.000 1.120 645 L CA 0.090 54.622 54.840 -0.514 0.000 0.879 645 L CB -0.035 41.825 42.059 -0.332 0.000 1.232 645 L HN 0.621 nan 8.230 nan 0.000 0.454 646 E N 3.044 123.067 120.200 -0.294 0.000 2.392 646 E HA -0.062 4.281 4.350 -0.012 0.000 0.264 646 E C 0.553 177.196 176.600 0.072 0.000 1.024 646 E CA -0.071 56.320 56.400 -0.016 0.000 0.903 646 E CB 0.261 29.960 29.700 -0.001 0.000 0.963 646 E HN 0.518 nan 8.360 nan 0.000 0.432 647 N N 2.548 121.357 118.700 0.181 0.000 2.725 647 N HA -0.288 4.445 4.740 -0.012 0.000 0.251 647 N C -1.482 174.116 175.510 0.148 0.000 1.031 647 N CA 0.538 53.695 53.050 0.178 0.000 0.720 647 N CB -1.438 37.174 38.487 0.209 0.000 0.930 647 N HN 0.451 nan 8.380 nan 0.000 0.543 648 Y N 1.417 121.716 120.300 -0.001 0.000 2.721 648 Y HA 0.147 4.690 4.550 -0.012 0.000 0.329 648 Y C 1.120 177.032 175.900 0.020 0.000 1.211 648 Y CA 0.553 58.639 58.100 -0.022 0.000 1.512 648 Y CB 0.297 38.712 38.460 -0.076 0.000 1.249 648 Y HN 0.372 nan 8.280 nan 0.000 0.549 649 R N 2.442 122.604 120.500 -0.564 0.000 2.762 649 R HA 0.479 4.812 4.340 -0.012 0.000 0.271 649 R C -0.216 175.746 176.300 -0.563 0.000 1.038 649 R CA -0.627 55.201 56.100 -0.453 0.000 0.906 649 R CB 0.330 30.560 30.300 -0.116 0.000 1.259 649 R HN 0.342 nan 8.270 nan 0.000 0.457 650 V N 1.048 120.664 119.914 -0.497 0.000 2.282 650 V HA -0.305 3.808 4.120 -0.012 0.000 0.249 650 V C 2.588 178.567 176.094 -0.193 0.000 1.057 650 V CA 2.883 64.962 62.300 -0.368 0.000 1.032 650 V CB -0.802 30.772 31.823 -0.415 0.000 0.645 650 V HN 0.943 nan 8.190 nan 0.000 0.447 651 S N -0.056 115.549 115.700 -0.159 0.000 2.402 651 S HA -0.161 4.302 4.470 -0.012 0.000 0.229 651 S C 1.918 176.480 174.600 -0.063 0.000 1.021 651 S CA 1.623 59.764 58.200 -0.099 0.000 0.974 651 S CB -0.473 62.697 63.200 -0.050 0.000 0.800 651 S HN 0.396 nan 8.310 nan 0.000 0.484 652 L N 1.898 123.085 121.223 -0.061 0.000 2.156 652 L HA 0.364 4.697 4.340 -0.012 0.000 0.208 652 L C 2.618 179.492 176.870 0.007 0.000 1.095 652 L CA 1.362 56.205 54.840 0.004 0.000 0.770 652 L CB -1.313 40.796 42.059 0.083 0.000 0.914 652 L HN 0.351 nan 8.230 nan 0.000 0.439 653 A N -0.642 122.159 122.820 -0.031 0.000 1.933 653 A HA -0.212 4.101 4.320 -0.012 0.000 0.218 653 A C 2.100 179.727 177.584 0.071 0.000 1.175 653 A CA 1.678 53.761 52.037 0.076 0.000 0.628 653 A CB -0.592 18.431 19.000 0.038 0.000 0.814 653 A HN 0.594 nan 8.150 nan 0.000 0.444 654 E N -0.436 119.810 120.200 0.076 0.000 2.333 654 E HA -0.148 4.195 4.350 -0.012 0.000 0.198 654 E C 1.763 178.340 176.600 -0.040 0.000 1.007 654 E CA 1.066 57.487 56.400 0.035 0.000 0.845 654 E CB -0.026 29.617 29.700 -0.095 0.000 0.766 654 E HN 0.621 nan 8.360 nan 0.000 0.507 655 K N -0.152 120.199 120.400 -0.082 0.000 2.190 655 K HA -0.006 4.307 4.320 -0.012 0.000 0.202 655 K C 2.168 178.569 176.600 -0.332 0.000 1.045 655 K CA 0.790 57.006 56.287 -0.119 0.000 0.976 655 K CB 0.381 32.809 32.500 -0.121 0.000 0.849 655 K HN -0.014 nan 8.250 nan 0.000 0.468 656 V N 0.973 120.590 119.914 -0.496 0.000 2.323 656 V HA -0.173 3.940 4.120 -0.012 0.000 0.244 656 V C 2.209 178.044 176.094 -0.432 0.000 1.041 656 V CA 1.270 63.073 62.300 -0.828 0.000 1.025 656 V CB -0.762 30.725 31.823 -0.560 0.000 0.656 656 V HN 0.182 nan 8.190 nan 0.000 0.451 657 I N 0.979 121.341 120.570 -0.347 0.000 2.118 657 I HA -0.169 3.993 4.170 -0.012 0.000 0.241 657 I C -0.080 175.916 176.117 -0.201 0.000 1.070 657 I CA 1.985 63.017 61.300 -0.447 0.000 1.327 657 I CB -1.670 35.961 38.000 -0.615 0.000 1.034 657 I HN 0.368 nan 8.210 nan 0.000 0.405 658 P HA -0.089 nan 4.420 nan 0.000 0.228 658 P C 0.864 178.163 177.300 -0.002 0.000 1.151 658 P CA 1.180 64.256 63.100 -0.039 0.000 0.770 658 P CB 0.030 31.718 31.700 -0.020 0.000 0.786 659 A N -1.165 121.638 122.820 -0.028 0.000 2.267 659 A HA 0.506 4.819 4.320 -0.012 0.000 0.213 659 A C 1.208 178.904 177.584 0.188 0.000 1.192 659 A CA 0.117 52.197 52.037 0.072 0.000 0.851 659 A CB -0.551 18.493 19.000 0.073 0.000 0.881 659 A HN 0.201 nan 8.150 nan 0.000 0.494 660 A N -0.082 122.840 122.820 0.170 0.000 2.371 660 A HA 0.468 4.781 4.320 -0.012 0.000 0.257 660 A C 0.361 178.089 177.584 0.240 0.000 1.089 660 A CA -0.033 52.166 52.037 0.270 0.000 0.794 660 A CB 0.330 19.591 19.000 0.435 0.000 1.029 660 A HN 0.258 nan 8.150 nan 0.000 0.488 661 D N 0.167 120.702 120.400 0.225 0.000 2.525 661 D HA 0.138 4.770 4.640 -0.012 0.000 0.248 661 D C -0.037 176.439 176.300 0.293 0.000 1.000 661 D CA 0.661 54.837 54.000 0.292 0.000 0.923 661 D CB 0.275 41.185 40.800 0.184 0.000 1.101 661 D HN 0.352 nan 8.370 nan 0.000 0.493 662 L N 1.428 122.715 121.223 0.106 0.000 2.349 662 L HA 0.285 4.618 4.340 -0.012 0.000 0.278 662 L C -0.659 176.054 176.870 -0.262 0.000 0.996 662 L CA -0.276 54.542 54.840 -0.037 0.000 0.825 662 L CB 1.917 43.937 42.059 -0.065 0.000 1.243 662 L HN -0.149 nan 8.230 nan 0.000 0.412 663 S N 4.562 120.004 115.700 -0.431 0.000 2.438 663 S HA 0.309 4.772 4.470 -0.012 0.000 0.293 663 S C -0.301 174.002 174.600 -0.495 0.000 1.141 663 S CA -0.664 57.016 58.200 -0.868 0.000 1.080 663 S CB 0.685 63.242 63.200 -1.070 0.000 0.978 663 S HN 0.558 nan 8.310 nan 0.000 0.479 664 E N 4.177 124.118 120.200 -0.432 0.000 2.044 664 E HA 0.194 4.537 4.350 -0.012 0.000 0.282 664 E C -0.494 176.007 176.600 -0.165 0.000 1.031 664 E CA -0.382 55.895 56.400 -0.205 0.000 0.824 664 E CB 0.971 30.583 29.700 -0.147 0.000 1.076 664 E HN 0.630 nan 8.360 nan 0.000 0.395 665 Q N 2.911 122.665 119.800 -0.077 0.000 2.943 665 Q HA 0.244 4.577 4.340 -0.012 0.000 0.327 665 Q C 0.653 176.649 176.000 -0.007 0.000 0.937 665 Q CA -0.132 55.640 55.803 -0.052 0.000 0.914 665 Q CB 0.268 28.986 28.738 -0.033 0.000 1.339 665 Q HN 0.613 nan 8.270 nan 0.000 0.417 666 I N -1.393 119.166 120.570 -0.019 0.000 3.801 666 I HA 0.255 4.418 4.170 -0.012 0.000 0.338 666 I C 0.245 176.320 176.117 -0.069 0.000 1.513 666 I CA -0.526 60.775 61.300 0.002 0.000 1.197 666 I CB 0.044 38.056 38.000 0.021 0.000 1.300 666 I HN -0.038 nan 8.210 nan 0.000 0.433 667 S N 0.489 116.144 115.700 -0.076 0.000 2.593 667 S HA 0.249 4.712 4.470 -0.012 0.000 0.269 667 S C 0.530 175.113 174.600 -0.029 0.000 1.334 667 S CA -0.352 57.815 58.200 -0.055 0.000 1.015 667 S CB 0.703 63.911 63.200 0.013 0.000 0.912 667 S HN 0.412 nan 8.310 nan 0.000 0.541 668 T N 2.494 117.064 114.554 0.027 0.000 2.888 668 T HA 0.409 4.752 4.350 -0.012 0.000 0.301 668 T C 0.708 175.419 174.700 0.020 0.000 1.001 668 T CA 0.183 62.306 62.100 0.038 0.000 1.147 668 T CB 0.091 69.049 68.868 0.151 0.000 0.931 668 T HN 0.981 nan 8.240 nan 0.000 0.541 669 A N 2.689 125.490 122.820 -0.031 0.000 2.580 669 A HA 0.443 4.755 4.320 -0.012 0.000 0.244 669 A C 1.655 179.233 177.584 -0.009 0.000 1.045 669 A CA 0.360 52.375 52.037 -0.037 0.000 0.761 669 A CB -0.906 18.059 19.000 -0.058 0.000 0.962 669 A HN 1.644 nan 8.150 nan 0.000 0.512 670 G N 1.373 110.168 108.800 -0.010 0.000 2.194 670 G HA2 -0.267 3.686 3.960 -0.012 0.000 0.236 670 G HA3 -0.267 3.686 3.960 -0.012 0.000 0.236 670 G C 1.015 175.908 174.900 -0.011 0.000 0.987 670 G CA 1.136 46.232 45.100 -0.007 0.000 0.635 670 G HN 1.995 nan 8.290 nan 0.000 0.520 671 T N -2.023 112.527 114.554 -0.006 0.000 3.033 671 T HA 0.362 4.705 4.350 -0.012 0.000 0.248 671 T C 0.866 175.457 174.700 -0.181 0.000 1.040 671 T CA 1.208 63.249 62.100 -0.098 0.000 1.133 671 T CB 0.393 69.240 68.868 -0.034 0.000 0.895 671 T HN 0.316 nan 8.240 nan 0.000 0.465 672 E N 1.503 121.715 120.200 0.020 0.000 1.996 672 E HA 0.630 4.973 4.350 -0.012 0.000 0.280 672 E C 1.212 177.786 176.600 -0.044 0.000 1.092 672 E CA 0.122 56.572 56.400 0.082 0.000 0.862 672 E CB 0.644 30.431 29.700 0.144 0.000 1.066 672 E HN 0.363 nan 8.360 nan 0.000 0.396 673 A N 3.458 126.183 122.820 -0.158 0.000 1.903 673 A HA -0.256 4.057 4.320 -0.012 0.000 0.219 673 A C 1.974 179.452 177.584 -0.176 0.000 1.191 673 A CA 2.389 54.217 52.037 -0.348 0.000 0.638 673 A CB -0.290 18.282 19.000 -0.713 0.000 0.823 673 A HN 0.629 nan 8.150 nan 0.000 0.451 674 S N -4.380 111.265 115.700 -0.092 0.000 4.428 674 S HA 0.450 4.913 4.470 -0.012 0.000 0.199 674 S C 0.646 175.236 174.600 -0.017 0.000 1.156 674 S CA 1.341 59.523 58.200 -0.030 0.000 1.134 674 S CB -0.164 63.032 63.200 -0.008 0.000 1.531 674 S HN 2.357 nan 8.310 nan 0.000 0.551 675 G N 0.175 108.973 108.800 -0.004 0.000 2.692 675 G HA2 0.016 3.969 3.960 -0.012 0.000 0.686 675 G HA3 0.016 3.969 3.960 -0.012 0.000 0.686 675 G C 0.203 175.087 174.900 -0.027 0.000 1.243 675 G CA 0.467 45.563 45.100 -0.006 0.000 0.782 675 G HN 1.378 nan 8.290 nan 0.000 0.625 676 T N -2.140 112.385 114.554 -0.048 0.000 3.029 676 T HA 0.375 4.718 4.350 -0.012 0.000 0.256 676 T C 2.326 176.928 174.700 -0.163 0.000 0.914 676 T CA 1.209 63.252 62.100 -0.096 0.000 0.880 676 T CB 0.361 69.169 68.868 -0.100 0.000 1.246 676 T HN 1.854 nan 8.240 nan 0.000 0.523 677 G N 3.119 111.848 108.800 -0.118 0.000 2.422 677 G HA2 -0.240 3.713 3.960 -0.012 0.000 0.218 677 G HA3 -0.240 3.713 3.960 -0.012 0.000 0.218 677 G C 1.444 176.373 174.900 0.049 0.000 1.146 677 G CA 1.135 46.170 45.100 -0.107 0.000 0.769 677 G HN 0.807 nan 8.290 nan 0.000 0.547 678 N N 0.363 119.086 118.700 0.039 0.000 2.104 678 N HA -0.165 4.568 4.740 -0.012 0.000 0.190 678 N C 2.210 177.724 175.510 0.008 0.000 1.024 678 N CA 1.444 54.526 53.050 0.054 0.000 0.853 678 N CB -0.400 38.073 38.487 -0.024 0.000 1.008 678 N HN 0.349 nan 8.380 nan 0.000 0.424 679 M N 0.693 120.226 119.600 -0.112 0.000 2.229 679 M HA -0.015 4.458 4.480 -0.012 0.000 0.264 679 M C 1.959 178.206 176.300 -0.088 0.000 1.063 679 M CA 1.365 56.580 55.300 -0.142 0.000 1.114 679 M CB -0.119 32.395 32.600 -0.143 0.000 1.387 679 M HN 0.101 nan 8.290 nan 0.000 0.420 680 K N 0.183 120.464 120.400 -0.197 0.000 2.057 680 K HA -0.090 4.223 4.320 -0.012 0.000 0.207 680 K C 1.699 178.180 176.600 -0.199 0.000 1.049 680 K CA 1.364 57.460 56.287 -0.319 0.000 0.931 680 K CB -0.220 31.862 32.500 -0.696 0.000 0.714 680 K HN 0.146 nan 8.250 nan 0.000 0.440 681 F N 1.049 120.921 119.950 -0.129 0.000 2.146 681 F HA -0.116 4.403 4.527 -0.013 0.000 0.298 681 F C 2.507 178.277 175.800 -0.050 0.000 1.096 681 F CA 1.184 59.134 58.000 -0.084 0.000 1.275 681 F CB -0.277 38.665 39.000 -0.098 0.000 1.008 681 F HN -0.001 nan 8.300 nan 0.000 0.480 682 M N -0.537 119.151 119.600 0.146 0.000 2.213 682 M HA -0.179 4.294 4.480 -0.012 0.000 0.263 682 M C 1.993 178.349 176.300 0.094 0.000 1.062 682 M CA 1.511 56.869 55.300 0.096 0.000 1.105 682 M CB -0.167 32.486 32.600 0.089 0.000 1.385 682 M HN 0.268 nan 8.290 nan 0.000 0.417 683 L N 0.692 121.967 121.223 0.087 0.000 2.240 683 L HA -0.022 4.311 4.340 -0.012 0.000 0.211 683 L C 1.294 178.210 176.870 0.077 0.000 1.106 683 L CA 1.513 56.410 54.840 0.095 0.000 0.793 683 L CB -0.523 41.599 42.059 0.105 0.000 0.927 683 L HN 0.325 nan 8.230 nan 0.000 0.446 684 N N -0.027 118.708 118.700 0.060 0.000 2.251 684 N HA 0.162 4.895 4.740 -0.012 0.000 0.217 684 N C 0.755 176.302 175.510 0.061 0.000 1.124 684 N CA 0.774 53.853 53.050 0.049 0.000 0.843 684 N CB 0.453 38.946 38.487 0.009 0.000 1.024 684 N HN 0.405 nan 8.380 nan 0.000 0.501 685 G N 0.533 109.372 108.800 0.066 0.000 2.171 685 G HA2 -0.196 3.757 3.960 -0.012 0.000 0.238 685 G HA3 -0.196 3.757 3.960 -0.012 0.000 0.238 685 G C -0.053 174.909 174.900 0.102 0.000 1.039 685 G CA 0.177 45.315 45.100 0.064 0.000 0.759 685 G HN 0.522 nan 8.290 nan 0.000 0.501 686 A N -0.664 122.224 122.820 0.113 0.000 2.337 686 A HA 0.904 5.217 4.320 -0.012 0.000 0.331 686 A C -0.288 177.286 177.584 -0.017 0.000 1.137 686 A CA -0.713 51.401 52.037 0.127 0.000 0.807 686 A CB 1.511 20.653 19.000 0.237 0.000 1.250 686 A HN 0.787 nan 8.150 nan 0.000 0.468 687 L N 0.785 121.957 121.223 -0.085 0.000 2.343 687 L HA 0.574 4.907 4.340 -0.012 0.000 0.275 687 L C 0.433 177.156 176.870 -0.245 0.000 1.056 687 L CA 0.428 55.125 54.840 -0.238 0.000 0.804 687 L CB 1.679 43.507 42.059 -0.384 0.000 1.203 687 L HN 0.744 nan 8.230 nan 0.000 0.440 688 T N 4.215 118.503 114.554 -0.444 0.000 2.771 688 T HA 0.521 4.864 4.350 -0.012 0.000 0.281 688 T C -0.256 174.284 174.700 -0.268 0.000 0.982 688 T CA -0.175 61.643 62.100 -0.470 0.000 0.978 688 T CB 0.935 69.364 68.868 -0.731 0.000 0.930 688 T HN 0.447 nan 8.240 nan 0.000 0.447 689 I N 2.971 123.489 120.570 -0.087 0.000 2.355 689 I HA 0.714 4.876 4.170 -0.012 0.000 0.288 689 I C 0.078 176.345 176.117 0.251 0.000 0.999 689 I CA 0.058 61.430 61.300 0.121 0.000 1.163 689 I CB 0.266 38.261 38.000 -0.009 0.000 1.316 689 I HN 0.798 nan 8.210 nan 0.000 0.454 690 G N 4.022 113.047 108.800 0.376 0.000 2.548 690 G HA2 0.459 4.412 3.960 -0.012 0.000 0.301 690 G HA3 0.459 4.412 3.960 -0.012 0.000 0.301 690 G C -0.926 173.896 174.900 -0.130 0.000 1.349 690 G CA -0.277 44.965 45.100 0.236 0.000 0.792 690 G HN 0.565 nan 8.290 nan 0.000 0.481 691 T N -1.769 112.594 114.554 -0.320 0.000 2.881 691 T HA 0.543 4.886 4.350 -0.012 0.000 0.278 691 T C 0.641 175.229 174.700 -0.186 0.000 0.982 691 T CA -0.702 61.135 62.100 -0.439 0.000 0.989 691 T CB 1.245 69.857 68.868 -0.426 0.000 1.058 691 T HN 0.255 nan 8.240 nan 0.000 0.529 692 M N 2.853 122.352 119.600 -0.168 0.000 3.436 692 M HA 0.327 4.800 4.480 -0.012 0.000 0.240 692 M C -0.496 175.753 176.300 -0.084 0.000 1.469 692 M CA -0.044 55.192 55.300 -0.106 0.000 1.622 692 M CB -1.750 30.795 32.600 -0.092 0.000 1.098 692 M HN 0.716 nan 8.290 nan 0.000 0.568 693 D N -0.103 120.254 120.400 -0.072 0.000 2.601 693 D HA 0.673 5.306 4.640 -0.012 0.000 0.230 693 D C 0.790 177.070 176.300 -0.032 0.000 1.106 693 D CA 0.648 54.620 54.000 -0.046 0.000 0.873 693 D CB 1.811 42.586 40.800 -0.040 0.000 1.515 693 D HN 0.589 nan 8.370 nan 0.000 0.468 694 G N 1.682 110.472 108.800 -0.016 0.000 2.661 694 G HA2 -0.293 3.659 3.960 -0.012 0.000 0.327 694 G HA3 -0.293 3.659 3.960 -0.012 0.000 0.327 694 G C 1.072 175.964 174.900 -0.013 0.000 1.320 694 G CA 1.302 46.397 45.100 -0.009 0.000 0.997 694 G HN 0.997 nan 8.290 nan 0.000 0.543 695 A N -0.425 122.382 122.820 -0.023 0.000 2.168 695 A HA 0.064 4.377 4.320 -0.012 0.000 0.215 695 A C 2.118 179.637 177.584 -0.110 0.000 1.152 695 A CA 1.905 53.920 52.037 -0.037 0.000 0.716 695 A CB -0.455 18.506 19.000 -0.065 0.000 0.794 695 A HN 0.614 nan 8.150 nan 0.000 0.465 696 N N 0.347 118.992 118.700 -0.092 0.000 2.192 696 N HA -0.142 4.591 4.740 -0.012 0.000 0.188 696 N C 1.533 176.915 175.510 -0.213 0.000 1.013 696 N CA 1.536 54.524 53.050 -0.103 0.000 0.863 696 N CB -0.490 37.985 38.487 -0.019 0.000 0.990 696 N HN 0.300 nan 8.380 nan 0.000 0.430 697 V N 1.065 120.897 119.914 -0.137 0.000 2.358 697 V HA -0.173 3.940 4.120 -0.012 0.000 0.246 697 V C 1.824 177.843 176.094 -0.125 0.000 1.047 697 V CA 1.567 63.784 62.300 -0.137 0.000 1.035 697 V CB -0.417 31.361 31.823 -0.074 0.000 0.658 697 V HN 0.338 nan 8.190 nan 0.000 0.452 698 E N -0.680 119.501 120.200 -0.031 0.000 2.285 698 E HA -0.085 4.257 4.350 -0.012 0.000 0.194 698 E C 2.135 178.850 176.600 0.193 0.000 0.997 698 E CA 0.811 57.269 56.400 0.098 0.000 0.845 698 E CB -0.106 29.735 29.700 0.235 0.000 0.782 698 E HN 0.551 nan 8.360 nan 0.000 0.491 699 M N 0.244 119.818 119.600 -0.044 0.000 2.160 699 M HA -0.052 4.421 4.480 -0.012 0.000 0.264 699 M C 2.455 178.522 176.300 -0.389 0.000 1.073 699 M CA 1.332 56.548 55.300 -0.140 0.000 1.142 699 M CB -0.053 32.345 32.600 -0.336 0.000 1.358 699 M HN 0.133 nan 8.290 nan 0.000 0.422 700 A N 0.114 122.400 122.820 -0.891 0.000 1.933 700 A HA -0.220 4.092 4.320 -0.012 0.000 0.218 700 A C 1.967 179.349 177.584 -0.336 0.000 1.175 700 A CA 1.981 53.454 52.037 -0.940 0.000 0.628 700 A CB -0.842 17.629 19.000 -0.882 0.000 0.814 700 A HN 0.598 nan 8.150 nan 0.000 0.444 701 E N -0.545 119.524 120.200 -0.217 0.000 2.204 701 E HA -0.202 4.141 4.350 -0.012 0.000 0.195 701 E C 1.606 178.175 176.600 -0.051 0.000 0.990 701 E CA 1.199 57.538 56.400 -0.102 0.000 0.821 701 E CB -0.027 29.633 29.700 -0.066 0.000 0.750 701 E HN 0.558 nan 8.360 nan 0.000 0.477 702 E N -0.107 120.086 120.200 -0.011 0.000 2.122 702 E HA -0.016 4.327 4.350 -0.012 0.000 0.190 702 E C 1.751 178.372 176.600 0.036 0.000 0.977 702 E CA 0.960 57.379 56.400 0.033 0.000 0.820 702 E CB 0.118 29.893 29.700 0.125 0.000 0.770 702 E HN 0.352 nan 8.360 nan 0.000 0.462 703 A N 0.452 123.296 122.820 0.040 0.000 2.132 703 A HA 0.374 4.687 4.320 -0.012 0.000 0.213 703 A C 0.997 178.600 177.584 0.031 0.000 1.154 703 A CA 0.997 53.077 52.037 0.070 0.000 0.753 703 A CB 0.113 19.218 19.000 0.174 0.000 0.826 703 A HN 0.211 nan 8.150 nan 0.000 0.469 704 G N -0.440 108.352 108.800 -0.014 0.000 3.209 704 G HA2 -0.093 3.860 3.960 -0.012 0.000 0.686 704 G HA3 -0.093 3.860 3.960 -0.012 0.000 0.686 704 G C -0.052 174.834 174.900 -0.024 0.000 1.065 704 G CA -0.002 45.083 45.100 -0.024 0.000 0.812 704 G HN 0.247 nan 8.290 nan 0.000 0.573 705 E N 0.821 120.993 120.200 -0.046 0.000 2.267 705 E HA -0.160 4.183 4.350 -0.012 0.000 0.197 705 E C 2.027 178.614 176.600 -0.023 0.000 0.998 705 E CA 1.745 58.126 56.400 -0.031 0.000 0.830 705 E CB 0.086 29.762 29.700 -0.040 0.000 0.751 705 E HN 0.781 nan 8.360 nan 0.000 0.491 706 E N 0.455 120.629 120.200 -0.044 0.000 2.274 706 E HA -0.073 4.270 4.350 -0.012 0.000 0.194 706 E C 0.932 177.444 176.600 -0.147 0.000 0.996 706 E CA 0.597 56.946 56.400 -0.084 0.000 0.840 706 E CB 0.059 29.723 29.700 -0.061 0.000 0.772 706 E HN 0.144 nan 8.360 nan 0.000 0.491 707 N N -0.285 118.363 118.700 -0.087 0.000 2.251 707 N HA 0.140 4.873 4.740 -0.012 0.000 0.217 707 N C -0.942 174.504 175.510 -0.106 0.000 1.124 707 N CA 0.116 53.093 53.050 -0.123 0.000 0.843 707 N CB 0.370 38.840 38.487 -0.028 0.000 1.024 707 N HN 0.043 nan 8.380 nan 0.000 0.501 708 F N -0.495 119.249 119.950 -0.343 0.000 2.588 708 F HA 0.414 4.933 4.527 -0.013 0.000 0.314 708 F C -0.727 174.848 175.800 -0.375 0.000 1.069 708 F CA -1.130 56.707 58.000 -0.271 0.000 0.931 708 F CB 1.355 40.285 39.000 -0.117 0.000 1.260 708 F HN -0.223 nan 8.300 nan 0.000 0.465 709 F N 4.692 124.632 119.950 -0.016 0.000 2.344 709 F HA 0.432 4.952 4.527 -0.012 0.000 0.344 709 F C -0.323 175.603 175.800 0.210 0.000 1.140 709 F CA -0.459 57.575 58.000 0.056 0.000 1.256 709 F CB -0.057 38.919 39.000 -0.041 0.000 1.573 709 F HN 0.048 nan 8.300 nan 0.000 0.547 710 I N 3.059 123.834 120.570 0.341 0.000 2.532 710 I HA 0.415 4.578 4.170 -0.012 0.000 0.292 710 I C -0.088 176.218 176.117 0.316 0.000 1.014 710 I CA -0.355 61.112 61.300 0.277 0.000 1.340 710 I CB 0.685 38.771 38.000 0.143 0.000 1.422 710 I HN 0.356 nan 8.210 nan 0.000 0.528 711 F N 2.515 122.533 119.950 0.112 0.000 2.831 711 F HA 0.874 5.394 4.527 -0.013 0.000 0.318 711 F C 0.094 175.939 175.800 0.076 0.000 1.174 711 F CA -0.571 57.486 58.000 0.095 0.000 0.918 711 F CB 0.475 39.544 39.000 0.114 0.000 1.364 711 F HN 0.859 nan 8.300 nan 0.000 0.475 712 G N 0.908 109.791 108.800 0.139 0.000 2.804 712 G HA2 -0.152 3.801 3.960 -0.012 0.000 0.230 712 G HA3 -0.152 3.801 3.960 -0.012 0.000 0.230 712 G C -0.665 174.208 174.900 -0.045 0.000 1.386 712 G CA -0.385 44.726 45.100 0.019 0.000 0.875 712 G HN 0.965 nan 8.290 nan 0.000 0.557 713 M N 0.492 120.076 119.600 -0.027 0.000 2.252 713 M HA 0.279 4.752 4.480 -0.012 0.000 0.333 713 M C 1.094 177.360 176.300 -0.057 0.000 1.111 713 M CA 0.122 55.411 55.300 -0.018 0.000 1.140 713 M CB 0.347 32.944 32.600 -0.004 0.000 1.538 713 M HN 0.536 nan 8.290 nan 0.000 0.448 714 R N 1.240 121.720 120.500 -0.034 0.000 2.608 714 R HA 0.342 4.674 4.340 -0.012 0.000 0.255 714 R C 1.130 177.411 176.300 -0.032 0.000 1.086 714 R CA -0.802 55.273 56.100 -0.042 0.000 1.125 714 R CB -0.012 30.270 30.300 -0.029 0.000 1.193 714 R HN 0.571 nan 8.270 nan 0.000 0.553 715 V N 1.610 121.504 119.914 -0.033 0.000 2.278 715 V HA -0.303 3.810 4.120 -0.012 0.000 0.251 715 V C 1.726 177.809 176.094 -0.019 0.000 1.062 715 V CA 2.185 64.469 62.300 -0.027 0.000 1.038 715 V CB -0.416 31.389 31.823 -0.030 0.000 0.646 715 V HN 0.634 nan 8.190 nan 0.000 0.447 716 E N 0.068 120.259 120.200 -0.016 0.000 2.085 716 E HA -0.204 4.139 4.350 -0.012 0.000 0.194 716 E C 1.943 178.546 176.600 0.004 0.000 0.994 716 E CA 1.509 57.905 56.400 -0.007 0.000 0.801 716 E CB -0.478 29.218 29.700 -0.006 0.000 0.743 716 E HN 0.622 nan 8.360 nan 0.000 0.453 717 D N -0.013 120.391 120.400 0.007 0.000 2.144 717 D HA -0.092 4.541 4.640 -0.012 0.000 0.200 717 D C 1.986 178.301 176.300 0.025 0.000 0.978 717 D CA 0.936 54.950 54.000 0.024 0.000 0.833 717 D CB -0.021 40.797 40.800 0.029 0.000 0.961 717 D HN 0.068 nan 8.370 nan 0.000 0.470 718 V N 1.745 121.662 119.914 0.004 0.000 2.343 718 V HA -0.200 3.913 4.120 -0.012 0.000 0.247 718 V C 1.958 178.051 176.094 -0.002 0.000 1.051 718 V CA 1.592 63.886 62.300 -0.010 0.000 1.036 718 V CB -0.377 31.430 31.823 -0.027 0.000 0.654 718 V HN 0.022 nan 8.190 nan 0.000 0.451 719 D N -0.164 120.236 120.400 -0.000 0.000 2.117 719 D HA -0.140 4.493 4.640 -0.012 0.000 0.197 719 D C 2.379 178.690 176.300 0.018 0.000 0.987 719 D CA 1.161 55.163 54.000 0.002 0.000 0.829 719 D CB -0.235 40.562 40.800 -0.004 0.000 0.961 719 D HN 0.288 nan 8.370 nan 0.000 0.460 720 R N 0.163 120.678 120.500 0.026 0.000 2.091 720 R HA -0.045 4.288 4.340 -0.012 0.000 0.238 720 R C 2.452 178.787 176.300 0.057 0.000 1.136 720 R CA 0.628 56.750 56.100 0.038 0.000 0.959 720 R CB -0.380 29.944 30.300 0.041 0.000 0.856 720 R HN 0.180 nan 8.270 nan 0.000 0.437 721 L N 0.514 121.780 121.223 0.072 0.000 2.083 721 L HA -0.221 4.112 4.340 -0.012 0.000 0.209 721 L C 1.360 178.295 176.870 0.109 0.000 1.083 721 L CA 1.481 56.390 54.840 0.115 0.000 0.752 721 L CB -0.291 41.847 42.059 0.133 0.000 0.899 721 L HN 0.295 nan 8.230 nan 0.000 0.433 722 D N -0.912 119.527 120.400 0.064 0.000 2.149 722 D HA -0.155 4.478 4.640 -0.012 0.000 0.201 722 D C 2.281 178.611 176.300 0.050 0.000 0.972 722 D CA 0.725 54.757 54.000 0.053 0.000 0.835 722 D CB 0.068 40.878 40.800 0.017 0.000 0.966 722 D HN 0.375 nan 8.370 nan 0.000 0.476 723 Q N 0.677 120.502 119.800 0.042 0.000 2.002 723 Q HA -0.171 4.162 4.340 -0.012 0.000 0.204 723 Q C 2.308 178.335 176.000 0.044 0.000 0.988 723 Q CA 1.190 57.015 55.803 0.036 0.000 0.843 723 Q CB -0.576 28.180 28.738 0.030 0.000 0.908 723 Q HN 0.483 nan 8.270 nan 0.000 0.420 724 R N 0.380 120.914 120.500 0.055 0.000 2.115 724 R HA 0.081 4.414 4.340 -0.012 0.000 0.226 724 R C 0.259 176.600 176.300 0.067 0.000 1.100 724 R CA 1.186 57.321 56.100 0.057 0.000 0.980 724 R CB -0.038 30.299 30.300 0.061 0.000 0.875 724 R HN 0.184 nan 8.270 nan 0.000 0.445 725 G N 0.521 109.376 108.800 0.092 0.000 3.363 725 G HA2 -0.199 3.754 3.960 -0.012 0.000 0.685 725 G HA3 -0.199 3.754 3.960 -0.012 0.000 0.685 725 G C -1.552 173.445 174.900 0.162 0.000 1.199 725 G CA -0.346 44.818 45.100 0.107 0.000 0.946 725 G HN 0.324 nan 8.290 nan 0.000 0.558 726 Y N 3.726 124.059 120.300 0.056 0.000 2.393 726 Y HA 0.554 5.097 4.550 -0.012 0.000 0.338 726 Y C 0.428 176.382 175.900 0.090 0.000 1.029 726 Y CA -0.709 57.441 58.100 0.084 0.000 1.239 726 Y CB 0.912 39.397 38.460 0.042 0.000 1.170 726 Y HN 0.572 nan 8.280 nan 0.000 0.515 727 N N 5.132 123.588 118.700 -0.407 0.000 2.573 727 N HA 0.289 5.021 4.740 -0.012 0.000 0.262 727 N C 0.052 175.309 175.510 -0.423 0.000 1.029 727 N CA 0.230 53.072 53.050 -0.346 0.000 0.882 727 N CB 1.494 39.914 38.487 -0.112 0.000 1.204 727 N HN 0.873 nan 8.380 nan 0.000 0.519 728 A N 2.912 125.392 122.820 -0.566 0.000 2.070 728 A HA -0.199 4.113 4.320 -0.012 0.000 0.220 728 A C 1.953 179.670 177.584 0.222 0.000 1.159 728 A CA 1.279 53.228 52.037 -0.147 0.000 0.656 728 A CB -0.244 18.601 19.000 -0.258 0.000 0.800 728 A HN 0.759 nan 8.150 nan 0.000 0.453 729 Q N 0.254 120.080 119.800 0.044 0.000 2.096 729 Q HA -0.220 4.113 4.340 -0.012 0.000 0.204 729 Q C 1.905 177.992 176.000 0.144 0.000 0.982 729 Q CA 2.222 58.073 55.803 0.079 0.000 0.850 729 Q CB -0.343 28.397 28.738 0.003 0.000 0.901 729 Q HN 0.752 nan 8.270 nan 0.000 0.422 730 E N -1.254 118.978 120.200 0.052 0.000 2.086 730 E HA -0.258 4.084 4.350 -0.012 0.000 0.200 730 E C 1.666 178.216 176.600 -0.082 0.000 1.012 730 E CA 1.696 58.058 56.400 -0.063 0.000 0.812 730 E CB -0.229 29.343 29.700 -0.212 0.000 0.743 730 E HN 0.566 nan 8.360 nan 0.000 0.453 731 Y N -1.265 119.096 120.300 0.102 0.000 2.242 731 Y HA -0.206 4.336 4.550 -0.012 0.000 0.291 731 Y C 2.158 178.042 175.900 -0.027 0.000 1.137 731 Y CA 1.474 59.621 58.100 0.077 0.000 1.181 731 Y CB -0.570 37.995 38.460 0.174 0.000 0.989 731 Y HN 0.261 nan 8.280 nan 0.000 0.527 732 Y N 1.110 121.425 120.300 0.026 0.000 2.224 732 Y HA -0.237 4.306 4.550 -0.012 0.000 0.289 732 Y C 1.832 177.687 175.900 -0.075 0.000 1.146 732 Y CA 1.715 59.745 58.100 -0.116 0.000 1.182 732 Y CB -0.312 38.133 38.460 -0.025 0.000 0.983 732 Y HN 0.053 nan 8.280 nan 0.000 0.524 733 D N -0.102 120.367 120.400 0.116 0.000 2.117 733 D HA -0.112 4.521 4.640 -0.012 0.000 0.198 733 D C 1.888 178.152 176.300 -0.061 0.000 0.982 733 D CA 1.275 55.291 54.000 0.026 0.000 0.828 733 D CB -0.125 40.716 40.800 0.068 0.000 0.967 733 D HN 0.475 nan 8.370 nan 0.000 0.464 734 R N 0.074 120.540 120.500 -0.057 0.000 2.300 734 R HA 0.216 4.549 4.340 -0.012 0.000 0.199 734 R C 0.400 176.670 176.300 -0.050 0.000 0.920 734 R CA 0.139 56.206 56.100 -0.056 0.000 1.046 734 R CB 0.659 30.924 30.300 -0.058 0.000 0.984 734 R HN 0.186 nan 8.270 nan 0.000 0.493 735 I N 2.312 122.834 120.570 -0.080 0.000 2.437 735 I HA 0.217 4.380 4.170 -0.012 0.000 0.279 735 I C -1.886 174.138 176.117 -0.155 0.000 1.028 735 I CA -2.434 58.827 61.300 -0.064 0.000 1.142 735 I CB 2.273 40.275 38.000 0.004 0.000 1.266 735 I HN -0.278 nan 8.210 nan 0.000 0.461 736 P HA -0.162 nan 4.420 nan 0.000 0.216 736 P C 1.165 178.376 177.300 -0.149 0.000 1.150 736 P CA 1.343 64.353 63.100 -0.150 0.000 0.837 736 P CB 0.307 31.950 31.700 -0.095 0.000 0.786 737 E N -1.006 119.145 120.200 -0.082 0.000 2.106 737 E HA -0.146 4.197 4.350 -0.012 0.000 0.192 737 E C 1.847 178.367 176.600 -0.133 0.000 0.984 737 E CA 0.703 57.075 56.400 -0.046 0.000 0.806 737 E CB -0.554 29.191 29.700 0.075 0.000 0.750 737 E HN 0.135 nan 8.360 nan 0.000 0.458 738 L N 1.302 122.361 121.223 -0.273 0.000 2.072 738 L HA -0.102 4.231 4.340 -0.012 0.000 0.205 738 L C 2.383 178.985 176.870 -0.447 0.000 1.079 738 L CA 1.580 56.081 54.840 -0.565 0.000 0.752 738 L CB -0.351 41.215 42.059 -0.821 0.000 0.906 738 L HN -0.095 nan 8.230 nan 0.000 0.436 739 R N -0.728 119.480 120.500 -0.486 0.000 2.083 739 R HA -0.246 4.087 4.340 -0.012 0.000 0.237 739 R C 2.380 178.511 176.300 -0.281 0.000 1.137 739 R CA 2.010 57.732 56.100 -0.630 0.000 0.951 739 R CB -0.409 29.423 30.300 -0.780 0.000 0.851 739 R HN 0.630 nan 8.270 nan 0.000 0.434 740 Q N 0.487 120.160 119.800 -0.213 0.000 2.096 740 Q HA -0.197 4.135 4.340 -0.012 0.000 0.204 740 Q C 2.086 178.036 176.000 -0.084 0.000 0.982 740 Q CA 2.064 57.789 55.803 -0.130 0.000 0.850 740 Q CB -0.141 28.523 28.738 -0.123 0.000 0.901 740 Q HN 0.501 nan 8.270 nan 0.000 0.422 741 I N 0.154 120.675 120.570 -0.082 0.000 2.142 741 I HA -0.298 3.865 4.170 -0.012 0.000 0.240 741 I C 2.196 178.341 176.117 0.046 0.000 1.078 741 I CA 0.951 62.244 61.300 -0.011 0.000 1.343 741 I CB -0.227 37.742 38.000 -0.050 0.000 1.046 741 I HN 0.242 nan 8.210 nan 0.000 0.405 742 I N 0.694 121.287 120.570 0.038 0.000 2.264 742 I HA -0.279 3.883 4.170 -0.012 0.000 0.248 742 I C 2.352 178.569 176.117 0.167 0.000 1.111 742 I CA 1.635 63.022 61.300 0.145 0.000 1.382 742 I CB -0.379 37.789 38.000 0.279 0.000 1.060 742 I HN 0.216 nan 8.210 nan 0.000 0.418 743 E N -0.494 119.785 120.200 0.131 0.000 2.285 743 E HA -0.192 4.151 4.350 -0.012 0.000 0.194 743 E C 2.049 178.713 176.600 0.108 0.000 0.997 743 E CA 0.452 56.925 56.400 0.121 0.000 0.845 743 E CB -0.058 29.691 29.700 0.081 0.000 0.782 743 E HN 0.591 nan 8.360 nan 0.000 0.491 744 Q N 0.504 120.361 119.800 0.095 0.000 2.083 744 Q HA -0.051 4.281 4.340 -0.012 0.000 0.198 744 Q C 2.250 178.437 176.000 0.312 0.000 0.969 744 Q CA 0.803 56.676 55.803 0.116 0.000 0.838 744 Q CB 0.154 28.904 28.738 0.020 0.000 0.900 744 Q HN 0.269 nan 8.270 nan 0.000 0.436 745 L N -0.411 121.005 121.223 0.320 0.000 2.056 745 L HA -0.154 4.178 4.340 -0.012 0.000 0.207 745 L C 2.413 179.466 176.870 0.305 0.000 1.078 745 L CA 0.835 55.879 54.840 0.341 0.000 0.749 745 L CB -0.348 41.824 42.059 0.189 0.000 0.901 745 L HN 0.128 nan 8.230 nan 0.000 0.433 746 S N -0.223 115.612 115.700 0.225 0.000 2.383 746 S HA -0.144 4.319 4.470 -0.012 0.000 0.227 746 S C 2.072 176.775 174.600 0.171 0.000 1.026 746 S CA 1.563 59.874 58.200 0.186 0.000 0.981 746 S CB -0.163 63.126 63.200 0.148 0.000 0.818 746 S HN 0.602 nan 8.310 nan 0.000 0.472 747 S N 0.214 116.017 115.700 0.173 0.000 2.562 747 S HA 0.325 4.787 4.470 -0.012 0.000 0.221 747 S C 1.351 176.048 174.600 0.161 0.000 0.975 747 S CA 0.698 58.987 58.200 0.147 0.000 0.918 747 S CB 0.011 63.288 63.200 0.128 0.000 0.772 747 S HN 0.768 nan 8.310 nan 0.000 0.531 748 G N 0.819 109.749 108.800 0.216 0.000 2.132 748 G HA2 -0.301 3.652 3.960 -0.012 0.000 0.228 748 G HA3 -0.301 3.652 3.960 -0.012 0.000 0.228 748 G C 0.171 175.173 174.900 0.170 0.000 1.000 748 G CA 0.134 45.355 45.100 0.202 0.000 0.693 748 G HN 0.585 nan 8.290 nan 0.000 0.515 749 F N 0.083 120.051 119.950 0.030 0.000 2.202 749 F HA 0.198 4.718 4.527 -0.012 0.000 0.301 749 F C 1.840 177.466 175.800 -0.291 0.000 1.082 749 F CA 1.919 59.819 58.000 -0.166 0.000 1.313 749 F CB -0.038 38.785 39.000 -0.294 0.000 1.024 749 F HN 0.170 nan 8.300 nan 0.000 0.495 750 F N -0.303 119.731 119.950 0.140 0.000 2.695 750 F HA 0.208 4.728 4.527 -0.012 0.000 0.303 750 F C 0.674 176.556 175.800 0.136 0.000 1.091 750 F CA 0.233 58.268 58.000 0.058 0.000 1.300 750 F CB 0.001 39.052 39.000 0.085 0.000 1.071 750 F HN -0.034 nan 8.300 nan 0.000 0.578 751 S N -1.515 114.347 115.700 0.269 0.000 2.440 751 S HA 0.329 4.792 4.470 -0.012 0.000 0.142 751 S C -2.479 172.159 174.600 0.064 0.000 1.578 751 S CA -1.110 57.189 58.200 0.165 0.000 1.260 751 S CB 1.045 64.330 63.200 0.142 0.000 1.407 751 S HN -0.193 nan 8.310 nan 0.000 0.392 752 P HA -0.111 nan 4.420 nan 0.000 0.214 752 P C 1.181 178.481 177.300 -0.000 0.000 1.163 752 P CA 1.418 64.508 63.100 -0.017 0.000 0.883 752 P CB 0.083 31.749 31.700 -0.058 0.000 0.788 753 K N -0.959 119.440 120.400 -0.001 0.000 2.148 753 K HA -0.090 4.223 4.320 -0.012 0.000 0.204 753 K C 0.693 177.298 176.600 0.007 0.000 1.050 753 K CA 1.042 57.330 56.287 0.003 0.000 0.942 753 K CB -0.218 32.284 32.500 0.004 0.000 0.724 753 K HN 0.324 nan 8.250 nan 0.000 0.446 754 Q N -0.363 119.440 119.800 0.006 0.000 2.907 754 Q HA 0.158 4.490 4.340 -0.012 0.000 0.262 754 Q C -2.330 173.673 176.000 0.004 0.000 0.997 754 Q CA -1.625 54.177 55.803 -0.002 0.000 0.797 754 Q CB 1.539 30.267 28.738 -0.018 0.000 1.228 754 Q HN -0.087 nan 8.270 nan 0.000 0.466 755 P HA -0.243 nan 4.420 nan 0.000 0.217 755 P C 0.615 177.963 177.300 0.080 0.000 1.148 755 P CA 1.493 64.633 63.100 0.066 0.000 0.834 755 P CB 0.212 31.947 31.700 0.059 0.000 0.783 756 D N -1.214 119.214 120.400 0.047 0.000 2.388 756 D HA -0.007 4.626 4.640 -0.012 0.000 0.221 756 D C 1.579 177.887 176.300 0.013 0.000 1.133 756 D CA -0.245 53.789 54.000 0.057 0.000 0.831 756 D CB -0.515 40.316 40.800 0.052 0.000 0.962 756 D HN 0.028 nan 8.370 nan 0.000 0.502 757 L N -0.037 121.134 121.223 -0.086 0.000 2.081 757 L HA -0.068 4.265 4.340 -0.012 0.000 0.212 757 L C 1.059 177.704 176.870 -0.376 0.000 1.080 757 L CA 1.655 56.322 54.840 -0.290 0.000 0.754 757 L CB -0.598 41.124 42.059 -0.561 0.000 0.893 757 L HN -0.016 nan 8.230 nan 0.000 0.433 758 F N -0.722 119.286 119.950 0.097 0.000 2.668 758 F HA 0.149 4.669 4.527 -0.012 0.000 0.297 758 F C 1.804 177.659 175.800 0.091 0.000 1.124 758 F CA -0.154 57.894 58.000 0.080 0.000 1.353 758 F CB -0.284 38.751 39.000 0.058 0.000 0.992 758 F HN 0.093 nan 8.300 nan 0.000 0.524 759 K N -0.520 120.001 120.400 0.202 0.000 2.147 759 K HA -0.171 4.142 4.320 -0.012 0.000 0.205 759 K C 0.941 177.647 176.600 0.177 0.000 1.049 759 K CA 1.879 58.268 56.287 0.171 0.000 0.936 759 K CB -0.208 32.369 32.500 0.127 0.000 0.722 759 K HN 0.069 nan 8.250 nan 0.000 0.446 760 D N 1.208 121.725 120.400 0.196 0.000 2.144 760 D HA -0.053 4.579 4.640 -0.012 0.000 0.200 760 D C 2.005 178.423 176.300 0.196 0.000 0.978 760 D CA 1.019 55.148 54.000 0.214 0.000 0.833 760 D CB -0.059 40.905 40.800 0.274 0.000 0.961 760 D HN 0.305 nan 8.370 nan 0.000 0.470 761 I N 0.348 121.031 120.570 0.188 0.000 2.202 761 I HA -0.202 3.961 4.170 -0.012 0.000 0.242 761 I C 2.430 178.607 176.117 0.099 0.000 1.091 761 I CA 0.561 61.942 61.300 0.135 0.000 1.368 761 I CB -0.213 37.863 38.000 0.126 0.000 1.058 761 I HN -0.129 nan 8.210 nan 0.000 0.410 762 V N 1.117 121.104 119.914 0.122 0.000 2.295 762 V HA -0.327 3.786 4.120 -0.012 0.000 0.246 762 V C 2.176 178.284 176.094 0.024 0.000 1.049 762 V CA 2.525 64.878 62.300 0.088 0.000 1.024 762 V CB -1.020 30.875 31.823 0.120 0.000 0.648 762 V HN 0.493 nan 8.190 nan 0.000 0.447 763 N N -0.469 118.279 118.700 0.081 0.000 2.069 763 N HA -0.237 4.496 4.740 -0.012 0.000 0.191 763 N C 1.964 177.456 175.510 -0.031 0.000 1.031 763 N CA 1.832 54.943 53.050 0.102 0.000 0.852 763 N CB -0.180 38.435 38.487 0.212 0.000 1.018 763 N HN 0.378 nan 8.380 nan 0.000 0.423 764 M N 0.105 119.743 119.600 0.064 0.000 2.067 764 M HA -0.143 4.330 4.480 -0.012 0.000 0.260 764 M C 1.583 177.810 176.300 -0.121 0.000 1.069 764 M CA 1.379 56.728 55.300 0.081 0.000 1.117 764 M CB -0.548 32.168 32.600 0.193 0.000 1.334 764 M HN 0.237 nan 8.290 nan 0.000 0.407 765 L N 0.978 122.112 121.223 -0.147 0.000 2.043 765 L HA -0.246 4.087 4.340 -0.012 0.000 0.212 765 L C 2.491 179.051 176.870 -0.517 0.000 1.075 765 L CA 1.806 56.440 54.840 -0.344 0.000 0.752 765 L CB -1.158 40.735 42.059 -0.277 0.000 0.891 765 L HN 0.408 nan 8.230 nan 0.000 0.432 766 M N -2.080 117.248 119.600 -0.454 0.000 2.334 766 M HA -0.064 4.409 4.480 -0.012 0.000 0.266 766 M C 1.805 177.627 176.300 -0.797 0.000 1.082 766 M CA 1.285 56.213 55.300 -0.620 0.000 1.141 766 M CB -0.714 31.416 32.600 -0.783 0.000 1.380 766 M HN 0.345 nan 8.290 nan 0.000 0.440 767 H N -1.803 117.037 119.070 -0.383 0.000 3.017 767 H HA 0.213 4.762 4.556 -0.012 0.000 0.255 767 H C 0.047 175.089 175.328 -0.478 0.000 0.990 767 H CA 0.549 56.307 56.048 -0.482 0.000 1.205 767 H CB 0.292 29.702 29.762 -0.588 0.000 1.460 767 H HN 0.541 nan 8.280 nan 0.000 0.478 768 H N -0.343 118.778 119.070 0.084 0.000 2.712 768 H HA 0.213 4.762 4.556 -0.012 0.000 0.226 768 H C -0.973 174.370 175.328 0.025 0.000 1.422 768 H CA -0.502 55.584 56.048 0.064 0.000 1.270 768 H CB 0.494 30.300 29.762 0.074 0.000 1.891 768 H HN -0.075 nan 8.280 nan 0.000 0.518 769 D N 1.367 121.803 120.400 0.059 0.000 2.411 769 D HA 0.130 4.763 4.640 -0.012 0.000 0.225 769 D C 0.919 177.145 176.300 -0.124 0.000 1.156 769 D CA -0.330 53.670 54.000 -0.001 0.000 0.874 769 D CB 0.635 41.416 40.800 -0.032 0.000 1.034 769 D HN 0.398 nan 8.370 nan 0.000 0.502 770 R N 2.215 122.531 120.500 -0.306 0.000 2.235 770 R HA -0.026 4.307 4.340 -0.012 0.000 0.213 770 R C 0.498 176.210 176.300 -0.980 0.000 1.059 770 R CA 0.819 56.504 56.100 -0.692 0.000 0.997 770 R CB 0.173 29.850 30.300 -1.038 0.000 0.884 770 R HN 0.386 nan 8.270 nan 0.000 0.462 771 F N 1.332 121.233 119.950 -0.081 0.000 2.708 771 F HA 0.218 4.738 4.527 -0.012 0.000 0.300 771 F C -0.063 175.602 175.800 -0.226 0.000 1.118 771 F CA -0.891 57.043 58.000 -0.110 0.000 1.307 771 F CB 0.127 39.120 39.000 -0.011 0.000 0.986 771 F HN -0.208 nan 8.300 nan 0.000 0.522 772 K N -0.665 119.497 120.400 -0.396 0.000 4.166 772 K HA -0.200 4.112 4.320 -0.012 0.000 0.276 772 K C 0.754 177.204 176.600 -0.250 0.000 0.808 772 K CA 0.220 56.089 56.287 -0.697 0.000 0.717 772 K CB -1.804 30.094 32.500 -1.003 0.000 1.774 772 K HN 0.296 nan 8.250 nan 0.000 0.427 773 V N 0.763 120.610 119.914 -0.112 0.000 2.358 773 V HA -0.226 3.887 4.120 -0.012 0.000 0.246 773 V C 2.181 178.397 176.094 0.202 0.000 1.047 773 V CA 1.952 64.271 62.300 0.032 0.000 1.035 773 V CB -0.571 31.269 31.823 0.029 0.000 0.658 773 V HN 0.607 nan 8.190 nan 0.000 0.452 774 F N 0.364 120.309 119.950 -0.009 0.000 2.134 774 F HA -0.181 4.339 4.527 -0.012 0.000 0.299 774 F C 2.572 178.181 175.800 -0.319 0.000 1.097 774 F CA 0.684 58.631 58.000 -0.090 0.000 1.264 774 F CB -0.445 38.504 39.000 -0.085 0.000 1.001 774 F HN 0.194 nan 8.300 nan 0.000 0.479 775 A N -0.458 122.176 122.820 -0.311 0.000 2.032 775 A HA -0.237 4.076 4.320 -0.012 0.000 0.221 775 A C 1.391 178.986 177.584 0.018 0.000 1.165 775 A CA 2.161 53.967 52.037 -0.386 0.000 0.645 775 A CB -0.515 18.379 19.000 -0.177 0.000 0.807 775 A HN 0.275 nan 8.150 nan 0.000 0.453 776 D N -3.285 117.179 120.400 0.107 0.000 2.433 776 D HA 0.125 4.758 4.640 -0.012 0.000 0.211 776 D C 1.081 177.556 176.300 0.292 0.000 1.114 776 D CA -0.152 53.983 54.000 0.224 0.000 0.837 776 D CB -0.106 40.828 40.800 0.222 0.000 0.984 776 D HN 0.577 nan 8.370 nan 0.000 0.505 777 Y N 2.014 122.410 120.300 0.159 0.000 2.070 777 Y HA -0.213 4.330 4.550 -0.012 0.000 0.280 777 Y C 2.104 178.101 175.900 0.161 0.000 1.148 777 Y CA 1.891 60.094 58.100 0.171 0.000 1.125 777 Y CB 0.232 38.767 38.460 0.125 0.000 0.975 777 Y HN -0.115 nan 8.280 nan 0.000 0.492 778 E N 0.043 120.307 120.200 0.107 0.000 2.038 778 E HA -0.277 4.065 4.350 -0.012 0.000 0.195 778 E C 2.187 178.758 176.600 -0.048 0.000 1.000 778 E CA 1.702 58.091 56.400 -0.019 0.000 0.803 778 E CB -0.237 29.555 29.700 0.153 0.000 0.750 778 E HN 0.622 nan 8.360 nan 0.000 0.448 779 E N -0.431 119.821 120.200 0.086 0.000 2.204 779 E HA -0.193 4.150 4.350 -0.012 0.000 0.195 779 E C 1.822 178.424 176.600 0.003 0.000 0.990 779 E CA 0.579 57.049 56.400 0.116 0.000 0.821 779 E CB -0.034 29.823 29.700 0.262 0.000 0.750 779 E HN 0.256 nan 8.360 nan 0.000 0.477 780 Y N 0.612 120.738 120.300 -0.290 0.000 2.153 780 Y HA -0.182 4.361 4.550 -0.012 0.000 0.289 780 Y C 2.190 177.697 175.900 -0.655 0.000 1.127 780 Y CA 1.470 59.088 58.100 -0.802 0.000 1.131 780 Y CB -0.515 37.533 38.460 -0.686 0.000 0.995 780 Y HN -0.039 nan 8.280 nan 0.000 0.505 781 V N -0.559 118.982 119.914 -0.622 0.000 2.626 781 V HA -0.139 3.974 4.120 -0.012 0.000 0.252 781 V C 2.149 178.004 176.094 -0.398 0.000 1.067 781 V CA 2.157 64.104 62.300 -0.589 0.000 1.081 781 V CB -0.610 30.956 31.823 -0.429 0.000 0.686 781 V HN 0.221 nan 8.190 nan 0.000 0.468 782 K N 0.011 120.238 120.400 -0.287 0.000 2.025 782 K HA -0.081 4.231 4.320 -0.012 0.000 0.207 782 K C 2.277 178.779 176.600 -0.163 0.000 1.049 782 K CA 1.936 58.126 56.287 -0.162 0.000 0.933 782 K CB -1.223 31.231 32.500 -0.078 0.000 0.714 782 K HN 0.664 nan 8.250 nan 0.000 0.438 783 C N 0.873 120.046 119.300 -0.211 0.000 2.422 783 C HA -0.065 4.388 4.460 -0.012 0.000 0.279 783 C C 2.378 177.193 174.990 -0.292 0.000 1.305 783 C CA 0.677 59.602 59.018 -0.154 0.000 1.757 783 C CB -0.684 26.981 27.740 -0.124 0.000 1.962 783 C HN 0.447 nan 8.230 nan 0.000 0.499 784 Q N 0.377 119.860 119.800 -0.528 0.000 2.224 784 Q HA -0.155 4.178 4.340 -0.012 0.000 0.203 784 Q C 1.981 177.793 176.000 -0.313 0.000 0.970 784 Q CA 1.469 56.925 55.803 -0.577 0.000 0.865 784 Q CB -0.329 27.846 28.738 -0.938 0.000 0.922 784 Q HN 0.757 nan 8.270 nan 0.000 0.445 785 E N 0.286 120.356 120.200 -0.217 0.000 2.072 785 E HA -0.136 4.206 4.350 -0.012 0.000 0.191 785 E C 2.046 178.614 176.600 -0.053 0.000 0.985 785 E CA 0.670 57.005 56.400 -0.108 0.000 0.801 785 E CB 0.092 29.746 29.700 -0.078 0.000 0.750 785 E HN 0.256 nan 8.360 nan 0.000 0.452 786 R N 0.337 120.820 120.500 -0.028 0.000 2.115 786 R HA -0.107 4.226 4.340 -0.012 0.000 0.230 786 R C 2.655 179.028 176.300 0.121 0.000 1.111 786 R CA 1.405 57.564 56.100 0.098 0.000 0.976 786 R CB -0.615 29.809 30.300 0.207 0.000 0.870 786 R HN 0.228 nan 8.270 nan 0.000 0.445 787 V N -1.075 118.728 119.914 -0.184 0.000 2.453 787 V HA -0.117 3.996 4.120 -0.012 0.000 0.247 787 V C 1.957 178.088 176.094 0.061 0.000 1.048 787 V CA 1.865 63.967 62.300 -0.329 0.000 1.049 787 V CB -0.127 31.191 31.823 -0.842 0.000 0.672 787 V HN 0.085 nan 8.190 nan 0.000 0.457 788 S N 0.976 116.652 115.700 -0.040 0.000 2.382 788 S HA -0.012 4.451 4.470 -0.012 0.000 0.228 788 S C 2.262 176.919 174.600 0.095 0.000 1.027 788 S CA 1.594 59.788 58.200 -0.010 0.000 0.991 788 S CB -0.620 62.545 63.200 -0.059 0.000 0.823 788 S HN 0.967 nan 8.310 nan 0.000 0.469 789 A N 1.440 124.326 122.820 0.111 0.000 1.877 789 A HA 0.007 4.320 4.320 -0.012 0.000 0.216 789 A C 2.093 179.792 177.584 0.191 0.000 1.186 789 A CA 1.055 53.173 52.037 0.135 0.000 0.620 789 A CB -0.726 18.347 19.000 0.121 0.000 0.822 789 A HN 0.452 nan 8.150 nan 0.000 0.443 790 L N -1.974 119.430 121.223 0.302 0.000 2.093 790 L HA -0.161 4.172 4.340 -0.012 0.000 0.208 790 L C 2.481 179.616 176.870 0.442 0.000 1.085 790 L CA 1.877 56.974 54.840 0.427 0.000 0.755 790 L CB -0.480 41.965 42.059 0.643 0.000 0.904 790 L HN 0.597 nan 8.230 nan 0.000 0.435 791 Y N 0.941 121.332 120.300 0.151 0.000 2.333 791 Y HA -0.282 4.262 4.550 -0.011 0.000 0.290 791 Y C 2.442 178.231 175.900 -0.184 0.000 1.144 791 Y CA 1.640 59.502 58.100 -0.396 0.000 1.228 791 Y CB -0.061 37.956 38.460 -0.738 0.000 0.985 791 Y HN 0.056 nan 8.280 nan 0.000 0.542 792 K N -0.001 120.409 120.400 0.017 0.000 2.442 792 K HA -0.110 4.202 4.320 -0.012 0.000 0.198 792 K C 0.298 176.871 176.600 -0.046 0.000 1.042 792 K CA 0.607 56.897 56.287 0.005 0.000 0.958 792 K CB -0.065 32.488 32.500 0.089 0.000 0.766 792 K HN 0.048 nan 8.250 nan 0.000 0.474 793 N N 0.311 118.999 118.700 -0.021 0.000 2.976 793 N HA 0.139 4.872 4.740 -0.012 0.000 0.255 793 N C -2.442 173.064 175.510 -0.007 0.000 1.312 793 N CA -2.189 50.862 53.050 0.001 0.000 0.897 793 N CB 1.057 39.582 38.487 0.063 0.000 1.184 793 N HN -0.182 nan 8.380 nan 0.000 0.497 794 P HA -0.250 nan 4.420 nan 0.000 0.218 794 P C 1.453 178.763 177.300 0.017 0.000 1.165 794 P CA 1.431 64.456 63.100 -0.126 0.000 0.922 794 P CB 0.326 31.933 31.700 -0.155 0.000 0.794 795 R N -0.423 120.085 120.500 0.014 0.000 2.103 795 R HA -0.189 4.143 4.340 -0.012 0.000 0.242 795 R C 2.063 178.405 176.300 0.070 0.000 1.142 795 R CA 1.572 57.694 56.100 0.037 0.000 0.960 795 R CB -0.365 29.948 30.300 0.022 0.000 0.858 795 R HN 0.157 nan 8.270 nan 0.000 0.439 796 E N -0.392 119.861 120.200 0.088 0.000 2.158 796 E HA -0.200 4.142 4.350 -0.012 0.000 0.191 796 E C 1.560 178.244 176.600 0.141 0.000 0.982 796 E CA 0.551 57.008 56.400 0.096 0.000 0.823 796 E CB -0.409 29.346 29.700 0.092 0.000 0.766 796 E HN 0.507 nan 8.360 nan 0.000 0.468 797 W N 2.158 123.455 121.300 -0.005 0.000 2.354 797 W HA -0.182 4.470 4.660 -0.013 0.000 0.315 797 W C 1.591 178.117 176.519 0.012 0.000 1.206 797 W CA 2.103 59.461 57.345 0.021 0.000 1.290 797 W CB -0.399 29.043 29.460 -0.031 0.000 1.152 797 W HN 0.031 nan 8.180 nan 0.000 0.489 798 T N 1.237 115.938 114.554 0.244 0.000 2.833 798 T HA -0.176 4.166 4.350 -0.012 0.000 0.269 798 T C 1.819 176.538 174.700 0.031 0.000 1.054 798 T CA 1.644 63.816 62.100 0.119 0.000 1.135 798 T CB -0.291 68.627 68.868 0.083 0.000 0.869 798 T HN 0.195 nan 8.240 nan 0.000 0.466 799 R N 0.341 120.864 120.500 0.038 0.000 2.115 799 R HA 0.157 4.489 4.340 -0.012 0.000 0.230 799 R C 2.458 178.754 176.300 -0.007 0.000 1.111 799 R CA 0.983 57.102 56.100 0.031 0.000 0.976 799 R CB -0.301 30.022 30.300 0.038 0.000 0.870 799 R HN 0.366 nan 8.270 nan 0.000 0.445 800 M N 0.453 120.015 119.600 -0.064 0.000 2.254 800 M HA -0.101 4.372 4.480 -0.012 0.000 0.265 800 M C 1.869 178.086 176.300 -0.139 0.000 1.066 800 M CA 1.188 56.413 55.300 -0.125 0.000 1.123 800 M CB 0.270 32.738 32.600 -0.220 0.000 1.388 800 M HN -0.037 nan 8.290 nan 0.000 0.425 801 V N 0.812 120.631 119.914 -0.159 0.000 2.343 801 V HA -0.289 3.824 4.120 -0.012 0.000 0.247 801 V C 2.158 178.238 176.094 -0.024 0.000 1.051 801 V CA 1.839 64.069 62.300 -0.115 0.000 1.036 801 V CB -0.530 31.247 31.823 -0.076 0.000 0.654 801 V HN 0.497 nan 8.190 nan 0.000 0.451 802 I N -0.566 120.011 120.570 0.011 0.000 2.361 802 I HA -0.250 3.913 4.170 -0.012 0.000 0.251 802 I C 2.636 178.801 176.117 0.080 0.000 1.133 802 I CA 1.348 62.698 61.300 0.083 0.000 1.413 802 I CB -0.303 37.789 38.000 0.153 0.000 1.073 802 I HN 0.178 nan 8.210 nan 0.000 0.424 803 R N 0.762 121.287 120.500 0.041 0.000 2.148 803 R HA -0.035 4.297 4.340 -0.012 0.000 0.223 803 R C 2.016 178.349 176.300 0.055 0.000 1.088 803 R CA 1.033 57.157 56.100 0.040 0.000 0.985 803 R CB -0.181 30.126 30.300 0.012 0.000 0.880 803 R HN 0.424 nan 8.270 nan 0.000 0.451 804 N N -0.267 118.461 118.700 0.046 0.000 2.148 804 N HA -0.062 4.671 4.740 -0.012 0.000 0.186 804 N C 1.745 177.316 175.510 0.102 0.000 1.031 804 N CA 1.288 54.388 53.050 0.084 0.000 0.848 804 N CB 0.024 38.536 38.487 0.040 0.000 1.005 804 N HN 0.124 nan 8.380 nan 0.000 0.427 805 I N 1.787 122.404 120.570 0.079 0.000 2.127 805 I HA -0.257 3.906 4.170 -0.012 0.000 0.241 805 I C 2.422 178.592 176.117 0.088 0.000 1.075 805 I CA 1.089 62.440 61.300 0.086 0.000 1.334 805 I CB -0.360 37.684 38.000 0.072 0.000 1.040 805 I HN 0.090 nan 8.210 nan 0.000 0.405 806 A N -1.089 121.782 122.820 0.085 0.000 2.125 806 A HA -0.192 4.121 4.320 -0.012 0.000 0.219 806 A C 2.202 179.824 177.584 0.064 0.000 1.156 806 A CA 2.147 54.225 52.037 0.068 0.000 0.671 806 A CB -0.620 18.426 19.000 0.076 0.000 0.794 806 A HN 0.413 nan 8.150 nan 0.000 0.459 807 T N -1.064 113.541 114.554 0.086 0.000 3.129 807 T HA 0.137 4.479 4.350 -0.012 0.000 0.267 807 T C 1.520 176.306 174.700 0.142 0.000 1.018 807 T CA 0.725 62.879 62.100 0.090 0.000 0.903 807 T CB -0.406 68.514 68.868 0.087 0.000 1.067 807 T HN 0.623 nan 8.240 nan 0.000 0.549 808 S N -0.834 114.970 115.700 0.172 0.000 2.528 808 S HA 0.169 4.631 4.470 -0.012 0.000 0.219 808 S C 2.335 177.056 174.600 0.202 0.000 0.985 808 S CA 0.608 58.979 58.200 0.286 0.000 0.914 808 S CB -0.414 62.939 63.200 0.254 0.000 0.776 808 S HN 0.437 nan 8.310 nan 0.000 0.526 809 G N 2.733 111.587 108.800 0.089 0.000 2.545 809 G HA2 -0.338 3.614 3.960 -0.012 0.000 0.222 809 G HA3 -0.338 3.614 3.960 -0.012 0.000 0.222 809 G C 1.344 176.209 174.900 -0.057 0.000 1.126 809 G CA 1.185 46.307 45.100 0.038 0.000 0.754 809 G HN 0.585 nan 8.290 nan 0.000 0.583 810 K N -0.104 120.156 120.400 -0.235 0.000 2.280 810 K HA -0.001 4.311 4.320 -0.012 0.000 0.202 810 K C 1.069 177.345 176.600 -0.540 0.000 1.047 810 K CA 0.511 56.521 56.287 -0.462 0.000 0.942 810 K CB -0.229 31.835 32.500 -0.726 0.000 0.739 810 K HN 0.431 nan 8.250 nan 0.000 0.457 811 F N 1.032 121.013 119.950 0.051 0.000 2.663 811 F HA 0.112 4.631 4.527 -0.013 0.000 0.299 811 F C 0.819 176.667 175.800 0.079 0.000 1.143 811 F CA -0.582 57.455 58.000 0.061 0.000 1.387 811 F CB 0.424 39.456 39.000 0.053 0.000 1.019 811 F HN -0.123 nan 8.300 nan 0.000 0.523 812 S N 0.108 115.895 115.700 0.146 0.000 2.545 812 S HA 0.102 4.565 4.470 -0.012 0.000 0.275 812 S C 1.388 176.077 174.600 0.149 0.000 1.299 812 S CA -0.284 58.000 58.200 0.141 0.000 1.048 812 S CB 1.020 64.272 63.200 0.087 0.000 0.938 812 S HN 0.307 nan 8.310 nan 0.000 0.496 813 S N 3.008 118.822 115.700 0.189 0.000 2.507 813 S HA -0.066 4.396 4.470 -0.012 0.000 0.235 813 S C 0.902 175.566 174.600 0.106 0.000 0.988 813 S CA 0.633 58.972 58.200 0.231 0.000 0.944 813 S CB -0.357 63.054 63.200 0.352 0.000 0.762 813 S HN 0.790 nan 8.310 nan 0.000 0.526 814 D N 1.703 122.146 120.400 0.072 0.000 2.178 814 D HA -0.049 4.584 4.640 -0.012 0.000 0.202 814 D C 2.077 178.385 176.300 0.014 0.000 0.974 814 D CA 0.658 54.676 54.000 0.030 0.000 0.841 814 D CB -0.240 40.574 40.800 0.023 0.000 0.953 814 D HN 0.309 nan 8.370 nan 0.000 0.478 815 R N 0.682 121.195 120.500 0.021 0.000 2.075 815 R HA -0.053 4.280 4.340 -0.012 0.000 0.226 815 R C 1.791 178.092 176.300 0.000 0.000 1.114 815 R CA 1.177 57.275 56.100 -0.003 0.000 0.972 815 R CB -0.543 29.742 30.300 -0.025 0.000 0.869 815 R HN 0.097 nan 8.270 nan 0.000 0.437 816 T N 2.245 116.829 114.554 0.049 0.000 2.684 816 T HA -0.118 4.225 4.350 -0.012 0.000 0.267 816 T C 1.944 176.673 174.700 0.048 0.000 1.036 816 T CA 1.297 63.455 62.100 0.096 0.000 1.148 816 T CB -0.121 68.901 68.868 0.257 0.000 0.863 816 T HN 0.082 nan 8.240 nan 0.000 0.436 817 I N 1.891 122.401 120.570 -0.099 0.000 2.226 817 I HA -0.082 4.080 4.170 -0.012 0.000 0.245 817 I C 2.961 179.037 176.117 -0.069 0.000 1.100 817 I CA 0.954 62.151 61.300 -0.172 0.000 1.374 817 I CB -1.713 36.187 38.000 -0.167 0.000 1.057 817 I HN 0.207 nan 8.210 nan 0.000 0.413 818 A N -0.028 122.769 122.820 -0.038 0.000 1.978 818 A HA -0.241 4.072 4.320 -0.012 0.000 0.220 818 A C 2.265 179.809 177.584 -0.067 0.000 1.170 818 A CA 1.505 53.525 52.037 -0.029 0.000 0.636 818 A CB -0.555 18.434 19.000 -0.019 0.000 0.810 818 A HN 0.524 nan 8.150 nan 0.000 0.448 819 Q N -2.129 117.613 119.800 -0.096 0.000 2.137 819 Q HA -0.116 4.216 4.340 -0.012 0.000 0.198 819 Q C 1.869 177.699 176.000 -0.282 0.000 0.960 819 Q CA 1.367 57.072 55.803 -0.164 0.000 0.847 819 Q CB -0.204 28.427 28.738 -0.178 0.000 0.915 819 Q HN 0.831 nan 8.270 nan 0.000 0.448 820 Y N 0.416 120.425 120.300 -0.484 0.000 2.145 820 Y HA -0.253 4.289 4.550 -0.012 0.000 0.286 820 Y C 2.422 177.728 175.900 -0.989 0.000 1.145 820 Y CA 1.247 58.806 58.100 -0.901 0.000 1.148 820 Y CB -0.381 37.240 38.460 -1.398 0.000 0.981 820 Y HN 0.149 nan 8.280 nan 0.000 0.507 821 A N 0.483 123.048 122.820 -0.424 0.000 1.873 821 A HA -0.249 4.064 4.320 -0.012 0.000 0.218 821 A C 2.244 179.827 177.584 -0.001 0.000 1.193 821 A CA 2.233 54.272 52.037 0.003 0.000 0.629 821 A CB -0.590 18.490 19.000 0.134 0.000 0.826 821 A HN 0.441 nan 8.150 nan 0.000 0.447 822 R N -0.721 119.744 120.500 -0.057 0.000 2.075 822 R HA -0.018 4.315 4.340 -0.012 0.000 0.226 822 R C 1.828 178.096 176.300 -0.052 0.000 1.114 822 R CA 1.411 57.491 56.100 -0.034 0.000 0.972 822 R CB -0.226 30.053 30.300 -0.036 0.000 0.869 822 R HN 0.652 nan 8.270 nan 0.000 0.437 823 E N -0.165 119.965 120.200 -0.117 0.000 2.447 823 E HA 0.089 4.432 4.350 -0.012 0.000 0.195 823 E C 1.437 177.982 176.600 -0.093 0.000 1.028 823 E CA 0.482 56.819 56.400 -0.105 0.000 0.876 823 E CB 0.494 30.107 29.700 -0.144 0.000 0.885 823 E HN 0.340 nan 8.360 nan 0.000 0.500 824 I N -1.524 118.954 120.570 -0.153 0.000 4.046 824 I HA 0.040 4.203 4.170 -0.012 0.000 0.285 824 I C 1.310 177.540 176.117 0.188 0.000 1.183 824 I CA -0.072 61.195 61.300 -0.056 0.000 1.337 824 I CB 0.125 37.954 38.000 -0.285 0.000 1.478 824 I HN 0.107 nan 8.210 nan 0.000 0.452 825 W N 1.789 123.177 121.300 0.146 0.000 2.576 825 W HA 0.319 4.972 4.660 -0.012 0.000 0.270 825 W C 1.557 178.105 176.519 0.049 0.000 1.255 825 W CA 0.913 58.322 57.345 0.107 0.000 1.314 825 W CB -0.963 28.546 29.460 0.081 0.000 1.101 825 W HN 0.333 nan 8.180 nan 0.000 0.595 826 G N 0.977 109.906 108.800 0.215 0.000 2.212 826 G HA2 -0.110 3.843 3.960 -0.012 0.000 0.255 826 G HA3 -0.110 3.843 3.960 -0.012 0.000 0.255 826 G C -0.301 174.665 174.900 0.110 0.000 1.062 826 G CA 0.180 45.352 45.100 0.119 0.000 0.815 826 G HN 0.373 nan 8.290 nan 0.000 0.497 827 V N -4.300 115.699 119.914 0.141 0.000 3.001 827 V HA 0.929 5.042 4.120 -0.012 0.000 0.314 827 V C -0.381 175.764 176.094 0.085 0.000 1.099 827 V CA -1.681 60.682 62.300 0.105 0.000 0.989 827 V CB 2.348 34.244 31.823 0.122 0.000 1.040 827 V HN 0.105 nan 8.190 nan 0.000 0.434 828 E N 3.466 123.701 120.200 0.058 0.000 2.109 828 E HA 0.518 4.861 4.350 -0.012 0.000 0.278 828 E C -2.521 174.108 176.600 0.048 0.000 0.954 828 E CA -1.847 54.581 56.400 0.046 0.000 0.779 828 E CB 1.761 31.481 29.700 0.033 0.000 1.093 828 E HN 0.738 nan 8.360 nan 0.000 0.401 829 P HA 0.062 nan 4.420 nan 0.000 0.270 829 P C -0.482 176.842 177.300 0.040 0.000 1.223 829 P CA -0.228 62.900 63.100 0.046 0.000 0.785 829 P CB 0.811 32.535 31.700 0.039 0.000 0.923 830 S N 1.037 116.762 115.700 0.043 0.000 2.572 830 S HA 0.347 4.810 4.470 -0.012 0.000 0.274 830 S C 0.054 174.677 174.600 0.039 0.000 1.150 830 S CA -0.872 57.353 58.200 0.041 0.000 0.944 830 S CB 1.237 64.466 63.200 0.050 0.000 1.071 830 S HN 0.297 nan 8.310 nan 0.000 0.479 831 R N 2.510 123.030 120.500 0.033 0.000 2.702 831 R HA 0.215 4.547 4.340 -0.012 0.000 0.314 831 R C -0.170 176.143 176.300 0.022 0.000 1.152 831 R CA -0.084 56.034 56.100 0.031 0.000 1.097 831 R CB 0.187 30.506 30.300 0.031 0.000 1.343 831 R HN 0.669 nan 8.270 nan 0.000 0.575 832 Q N 0.989 120.802 119.800 0.022 0.000 2.288 832 Q HA 0.176 4.509 4.340 -0.012 0.000 0.258 832 Q C -0.339 175.657 176.000 -0.006 0.000 0.957 832 Q CA -0.282 55.528 55.803 0.010 0.000 0.919 832 Q CB 1.251 29.999 28.738 0.018 0.000 1.185 832 Q HN -0.128 nan 8.270 nan 0.000 0.408 833 R N 1.702 122.190 120.500 -0.019 0.000 2.522 833 R HA 0.059 4.392 4.340 -0.012 0.000 0.284 833 R C -0.595 175.671 176.300 -0.056 0.000 1.032 833 R CA -0.154 55.923 56.100 -0.038 0.000 1.049 833 R CB 0.159 30.435 30.300 -0.040 0.000 0.956 833 R HN 0.410 nan 8.270 nan 0.000 0.422 834 L N 6.521 127.697 121.223 -0.079 0.000 2.439 834 L HA 0.241 4.574 4.340 -0.012 0.000 0.269 834 L C -1.701 175.108 176.870 -0.101 0.000 1.179 834 L CA -1.931 52.829 54.840 -0.133 0.000 0.828 834 L CB 0.633 42.594 42.059 -0.163 0.000 1.106 834 L HN 0.614 nan 8.230 nan 0.000 0.467 835 P HA 0.015 nan 4.420 nan 0.000 0.208 835 P C 0.029 177.301 177.300 -0.047 0.000 1.341 835 P CA 0.604 63.666 63.100 -0.063 0.000 1.235 835 P CB -0.664 31.003 31.700 -0.055 0.000 1.764 836 A N 3.745 126.540 122.820 -0.041 0.000 6.121 836 A HA -0.165 4.147 4.320 -0.012 0.000 0.424 836 A C -2.123 175.449 177.584 -0.020 0.000 2.043 836 A CA -0.016 52.005 52.037 -0.027 0.000 1.677 836 A CB -2.366 16.625 19.000 -0.016 0.000 1.203 836 A HN 0.398 nan 8.150 nan 0.000 0.561 837 P HA 0.000 nan 4.420 nan 0.000 0.216 837 P CA 0.000 63.106 63.100 0.009 0.000 0.800 837 P CB 0.000 31.718 31.700 0.029 0.000 0.726