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 2g9v_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 NLXXXXXXGY DATA SEQUENCE IQAVLDRNLA ENISRVLYPN XXFFEGKELR LKQEYFVVAA TLQDIIRRFK DATA SEQUENCE SSXXXXXXXX XTNFDAFPDK VAIQLNDTHP SLAIPELMRV LVDLERLDWD DATA SEQUENCE KAWEVTVKTC AYTNHTVLPE 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 ASGTGNMXFM LNGALTIGTM DGANVEMAEE AGEENFFIFG DATA SEQUENCE MRVEDVDRLD QRGYNAQEYY DRIPELRQII EQLSSGFFSP KQPDLFKDIV DATA SEQUENCE NMLMHHDRFK VFADYEEYVK CQERVSALYK NPREWTRMVI RNIATSGKFS DATA SEQUENCE SDRTIAQYAR EIWGVEPSRQ RLPA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 13 I HA 0.000 nan 4.170 nan 0.000 0.288 13 I C 0.000 176.107 176.117 -0.016 0.000 1.063 13 I CA 0.000 61.282 61.300 -0.030 0.000 1.566 13 I CB 0.000 37.973 38.000 -0.045 0.000 1.214 14 S N -0.394 115.301 115.700 -0.009 0.000 3.211 14 S HA 0.348 4.810 4.470 -0.014 0.000 0.320 14 S C -0.302 174.305 174.600 0.010 0.000 1.225 14 S CA 0.305 58.507 58.200 0.004 0.000 1.044 14 S CB 1.186 64.389 63.200 0.005 0.000 1.410 14 S HN -0.053 nan 8.310 nan 0.000 0.640 15 V N 3.169 123.097 119.914 0.023 0.000 3.541 15 V HA 0.219 4.330 4.120 -0.014 0.000 0.272 15 V C 1.045 177.150 176.094 0.020 0.000 1.215 15 V CA 1.031 63.349 62.300 0.029 0.000 1.176 15 V CB -1.003 30.848 31.823 0.047 0.000 0.854 15 V HN 0.549 nan 8.190 nan 0.000 0.496 16 R N 0.911 121.415 120.500 0.006 0.000 2.449 16 R HA 0.412 4.744 4.340 -0.014 0.000 0.262 16 R C 0.928 177.218 176.300 -0.016 0.000 1.006 16 R CA 0.584 56.682 56.100 -0.003 0.000 1.104 16 R CB -0.078 30.218 30.300 -0.008 0.000 1.206 16 R HN 0.541 nan 8.270 nan 0.000 0.538 17 G N 1.006 109.796 108.800 -0.017 0.000 2.728 17 G HA2 -0.220 3.732 3.960 -0.014 0.000 0.294 17 G HA3 -0.220 3.732 3.960 -0.014 0.000 0.294 17 G C -0.792 174.091 174.900 -0.028 0.000 1.342 17 G CA -1.057 44.025 45.100 -0.030 0.000 0.866 17 G HN 0.036 nan 8.290 nan 0.000 0.534 18 L N 0.212 121.416 121.223 -0.032 0.000 2.350 18 L HA 0.686 5.017 4.340 -0.014 0.000 0.275 18 L C 1.175 178.027 176.870 -0.029 0.000 1.099 18 L CA 0.191 55.015 54.840 -0.027 0.000 0.808 18 L CB 0.877 42.922 42.059 -0.024 0.000 1.149 18 L HN 1.552 nan 8.230 nan 0.000 0.442 19 A N 2.201 125.006 122.820 -0.026 0.000 3.056 19 A HA 0.583 4.894 4.320 -0.014 0.000 0.328 19 A C 0.745 178.319 177.584 -0.016 0.000 1.233 19 A CA -0.349 51.673 52.037 -0.024 0.000 0.965 19 A CB -0.412 18.570 19.000 -0.030 0.000 1.123 19 A HN 0.807 nan 8.150 nan 0.000 0.502 20 G N -0.165 108.628 108.800 -0.012 0.000 2.441 20 G HA2 0.346 4.298 3.960 -0.014 0.000 0.243 20 G HA3 0.346 4.298 3.960 -0.014 0.000 0.243 20 G C 0.992 175.893 174.900 0.001 0.000 1.281 20 G CA -0.055 45.042 45.100 -0.006 0.000 0.854 20 G HN 0.434 nan 8.290 nan 0.000 0.560 21 V N 1.931 121.846 119.914 0.002 0.000 2.332 21 V HA -0.190 3.922 4.120 -0.014 0.000 0.248 21 V C 2.690 178.792 176.094 0.013 0.000 1.055 21 V CA 2.401 64.705 62.300 0.007 0.000 1.038 21 V CB -0.641 31.185 31.823 0.006 0.000 0.651 21 V HN 0.815 nan 8.190 nan 0.000 0.450 22 E N 0.534 120.742 120.200 0.014 0.000 2.058 22 E HA -0.213 4.129 4.350 -0.014 0.000 0.194 22 E C 2.045 178.663 176.600 0.031 0.000 0.997 22 E CA 1.941 58.354 56.400 0.021 0.000 0.801 22 E CB -0.298 29.413 29.700 0.019 0.000 0.746 22 E HN 0.707 nan 8.360 nan 0.000 0.450 23 N N -1.150 117.567 118.700 0.028 0.000 2.106 23 N HA -0.128 4.604 4.740 -0.014 0.000 0.188 23 N C 1.667 177.200 175.510 0.038 0.000 1.029 23 N CA 1.209 54.281 53.050 0.037 0.000 0.848 23 N CB 0.130 38.628 38.487 0.017 0.000 1.007 23 N HN -0.040 nan 8.380 nan 0.000 0.423 24 V N 0.608 120.536 119.914 0.023 0.000 2.332 24 V HA -0.250 3.862 4.120 -0.014 0.000 0.248 24 V C 2.066 178.180 176.094 0.033 0.000 1.055 24 V CA 1.850 64.162 62.300 0.021 0.000 1.038 24 V CB -0.896 30.933 31.823 0.011 0.000 0.651 24 V HN 0.431 nan 8.190 nan 0.000 0.450 25 T N -0.544 114.030 114.554 0.033 0.000 2.746 25 T HA -0.240 4.101 4.350 -0.014 0.000 0.267 25 T C 1.918 176.651 174.700 0.055 0.000 1.039 25 T CA 1.854 63.976 62.100 0.037 0.000 1.142 25 T CB -0.211 68.675 68.868 0.029 0.000 0.866 25 T HN 0.513 nan 8.240 nan 0.000 0.444 26 E N 0.797 121.036 120.200 0.065 0.000 2.106 26 E HA 0.001 4.342 4.350 -0.014 0.000 0.192 26 E C 2.020 178.696 176.600 0.128 0.000 0.984 26 E CA 0.755 57.208 56.400 0.087 0.000 0.806 26 E CB -0.432 29.323 29.700 0.093 0.000 0.750 26 E HN 0.433 nan 8.360 nan 0.000 0.458 27 L N 0.113 121.415 121.223 0.131 0.000 2.056 27 L HA -0.159 4.172 4.340 -0.014 0.000 0.207 27 L C 2.373 179.350 176.870 0.179 0.000 1.078 27 L CA 1.352 56.292 54.840 0.167 0.000 0.749 27 L CB -0.262 41.863 42.059 0.109 0.000 0.901 27 L HN 0.053 nan 8.230 nan 0.000 0.433 28 K N 0.516 120.983 120.400 0.112 0.000 2.057 28 K HA -0.210 4.102 4.320 -0.014 0.000 0.207 28 K C 2.089 178.794 176.600 0.174 0.000 1.049 28 K CA 1.766 58.111 56.287 0.098 0.000 0.931 28 K CB -0.067 32.453 32.500 0.032 0.000 0.714 28 K HN 0.373 nan 8.250 nan 0.000 0.440 29 K N 0.009 120.493 120.400 0.139 0.000 2.228 29 K HA 0.007 4.319 4.320 -0.014 0.000 0.202 29 K C 1.543 178.233 176.600 0.150 0.000 1.051 29 K CA 1.149 57.513 56.287 0.128 0.000 0.960 29 K CB 0.017 32.564 32.500 0.079 0.000 0.743 29 K HN -0.022 nan 8.250 nan 0.000 0.458 30 N N 0.512 119.318 118.700 0.176 0.000 2.300 30 N HA -0.084 4.648 4.740 -0.014 0.000 0.179 30 N C 1.504 177.189 175.510 0.292 0.000 1.016 30 N CA 0.797 53.954 53.050 0.178 0.000 0.876 30 N CB -0.229 38.376 38.487 0.196 0.000 0.979 30 N HN 0.186 nan 8.380 nan 0.000 0.432 31 F N 2.730 122.794 119.950 0.191 0.000 2.069 31 F HA -0.169 4.350 4.527 -0.014 0.000 0.298 31 F C 2.043 177.961 175.800 0.197 0.000 1.113 31 F CA 1.459 59.581 58.000 0.205 0.000 1.214 31 F CB -0.190 38.898 39.000 0.145 0.000 0.978 31 F HN -0.007 nan 8.300 nan 0.000 0.474 32 N N 0.293 119.233 118.700 0.400 0.000 2.188 32 N HA -0.168 4.564 4.740 -0.014 0.000 0.184 32 N C 2.107 177.721 175.510 0.173 0.000 1.018 32 N CA 0.758 53.971 53.050 0.271 0.000 0.858 32 N CB -0.524 38.101 38.487 0.231 0.000 0.989 32 N HN 0.286 nan 8.380 nan 0.000 0.426 33 R N 0.855 121.452 120.500 0.160 0.000 2.094 33 R HA -0.132 4.200 4.340 -0.014 0.000 0.239 33 R C 1.767 178.172 176.300 0.176 0.000 1.137 33 R CA 1.622 57.837 56.100 0.193 0.000 0.943 33 R CB -0.635 29.673 30.300 0.014 0.000 0.850 33 R HN 0.455 nan 8.270 nan 0.000 0.433 34 H N -0.242 118.879 119.070 0.084 0.000 2.353 34 H HA -0.139 4.409 4.556 -0.014 0.000 0.300 34 H C 1.917 177.184 175.328 -0.101 0.000 1.090 34 H CA 1.565 57.590 56.048 -0.038 0.000 1.327 34 H CB -0.062 29.631 29.762 -0.115 0.000 1.383 34 H HN 0.099 nan 8.280 nan 0.000 0.508 35 L N -0.096 121.117 121.223 -0.016 0.000 2.042 35 L HA -0.205 4.126 4.340 -0.014 0.000 0.210 35 L C 2.241 179.088 176.870 -0.039 0.000 1.076 35 L CA 1.878 56.674 54.840 -0.073 0.000 0.749 35 L CB -0.413 41.610 42.059 -0.060 0.000 0.893 35 L HN 0.306 nan 8.230 nan 0.000 0.432 36 H N -1.627 117.377 119.070 -0.110 0.000 2.268 36 H HA -0.100 4.447 4.556 -0.014 0.000 0.304 36 H C 1.799 176.930 175.328 -0.328 0.000 1.064 36 H CA 2.483 58.367 56.048 -0.272 0.000 1.316 36 H CB -0.277 29.235 29.762 -0.416 0.000 1.386 36 H HN 0.308 nan 8.280 nan 0.000 0.496 37 F N -0.552 119.411 119.950 0.021 0.000 2.270 37 F HA -0.018 4.500 4.527 -0.014 0.000 0.295 37 F C 2.639 178.376 175.800 -0.105 0.000 1.087 37 F CA 1.364 59.333 58.000 -0.052 0.000 1.365 37 F CB -0.367 38.629 39.000 -0.008 0.000 1.056 37 F HN 0.176 nan 8.300 nan 0.000 0.506 38 T N -0.220 114.373 114.554 0.065 0.000 2.939 38 T HA 0.001 4.343 4.350 -0.014 0.000 0.254 38 T C 1.714 176.326 174.700 -0.147 0.000 1.041 38 T CA 0.790 62.853 62.100 -0.062 0.000 1.142 38 T CB -0.205 68.598 68.868 -0.108 0.000 0.874 38 T HN -0.046 nan 8.240 nan 0.000 0.452 39 L N 0.886 122.020 121.223 -0.148 0.000 2.477 39 L HA 0.274 4.606 4.340 -0.014 0.000 0.220 39 L C 0.616 177.388 176.870 -0.164 0.000 1.106 39 L CA 0.404 55.144 54.840 -0.168 0.000 0.851 39 L CB -0.483 41.481 42.059 -0.157 0.000 0.994 39 L HN 0.035 nan 8.230 nan 0.000 0.462 40 V N 0.282 120.083 119.914 -0.188 0.000 6.125 40 V HA -0.273 3.838 4.120 -0.014 0.000 0.281 40 V C 0.218 176.189 176.094 -0.206 0.000 0.591 40 V CA 0.694 62.853 62.300 -0.236 0.000 0.617 40 V CB -2.096 29.617 31.823 -0.184 0.000 0.336 40 V HN 0.366 nan 8.190 nan 0.000 0.650 41 K N 0.998 121.277 120.400 -0.201 0.000 2.477 41 K HA 0.657 4.968 4.320 -0.014 0.000 0.255 41 K C -0.341 176.198 176.600 -0.102 0.000 0.952 41 K CA -0.531 55.671 56.287 -0.142 0.000 0.826 41 K CB 2.770 35.191 32.500 -0.132 0.000 1.331 41 K HN 0.587 nan 8.250 nan 0.000 0.437 42 D N -0.367 119.999 120.400 -0.058 0.000 2.326 42 D HA 0.299 4.930 4.640 -0.014 0.000 0.251 42 D C 0.814 177.134 176.300 0.033 0.000 1.023 42 D CA -0.681 53.322 54.000 0.006 0.000 0.966 42 D CB 1.056 41.860 40.800 0.006 0.000 1.156 42 D HN 0.068 nan 8.370 nan 0.000 0.494 43 R N 0.495 121.049 120.500 0.091 0.000 2.152 43 R HA -0.049 4.282 4.340 -0.014 0.000 0.232 43 R C 0.888 177.259 176.300 0.117 0.000 1.117 43 R CA 0.667 56.859 56.100 0.155 0.000 0.981 43 R CB -0.792 29.612 30.300 0.174 0.000 0.870 43 R HN 0.555 nan 8.270 nan 0.000 0.451 44 N N 0.349 119.088 118.700 0.065 0.000 2.459 44 N HA -0.086 4.646 4.740 -0.014 0.000 0.181 44 N C 1.580 177.108 175.510 0.029 0.000 1.046 44 N CA 1.204 54.282 53.050 0.048 0.000 0.904 44 N CB 0.256 38.761 38.487 0.031 0.000 0.964 44 N HN 0.247 nan 8.380 nan 0.000 0.444 45 V N -3.228 116.690 119.914 0.007 0.000 3.556 45 V HA 0.520 4.632 4.120 -0.014 0.000 0.287 45 V C 0.790 176.852 176.094 -0.054 0.000 1.422 45 V CA -0.459 61.830 62.300 -0.018 0.000 1.038 45 V CB -0.314 31.491 31.823 -0.030 0.000 0.850 45 V HN 0.038 nan 8.190 nan 0.000 0.437 46 A N 2.415 125.181 122.820 -0.090 0.000 2.488 46 A HA 0.560 4.872 4.320 -0.014 0.000 0.249 46 A C 0.777 178.212 177.584 -0.248 0.000 1.083 46 A CA 0.775 52.652 52.037 -0.266 0.000 0.768 46 A CB -0.210 18.482 19.000 -0.513 0.000 1.017 46 A HN 0.832 nan 8.150 nan 0.000 0.496 47 T N 0.413 114.824 114.554 -0.238 0.000 2.912 47 T HA 0.531 4.873 4.350 -0.014 0.000 0.280 47 T C -2.052 172.590 174.700 -0.098 0.000 0.989 47 T CA -1.696 60.346 62.100 -0.097 0.000 0.995 47 T CB 0.992 69.839 68.868 -0.036 0.000 1.077 47 T HN 0.276 nan 8.240 nan 0.000 0.531 48 P HA -0.077 nan 4.420 nan 0.000 0.218 48 P C 1.576 179.001 177.300 0.209 0.000 1.146 48 P CA 0.858 64.114 63.100 0.260 0.000 0.813 48 P CB 0.037 31.849 31.700 0.187 0.000 0.778 49 R N 0.196 120.764 120.500 0.113 0.000 2.081 49 R HA -0.137 4.195 4.340 -0.014 0.000 0.235 49 R C 1.666 178.140 176.300 0.290 0.000 1.131 49 R CA 1.812 58.020 56.100 0.179 0.000 0.960 49 R CB -0.694 29.644 30.300 0.062 0.000 0.856 49 R HN 0.099 nan 8.270 nan 0.000 0.436 50 D N -0.346 120.096 120.400 0.070 0.000 2.117 50 D HA -0.192 4.439 4.640 -0.014 0.000 0.197 50 D C 1.742 178.046 176.300 0.008 0.000 0.987 50 D CA 1.328 55.316 54.000 -0.021 0.000 0.829 50 D CB -0.298 40.351 40.800 -0.251 0.000 0.961 50 D HN 0.319 nan 8.370 nan 0.000 0.460 51 Y N 0.175 120.583 120.300 0.180 0.000 2.181 51 Y HA -0.204 4.338 4.550 -0.014 0.000 0.288 51 Y C 2.340 178.382 175.900 0.237 0.000 1.146 51 Y CA 0.323 58.578 58.100 0.258 0.000 1.164 51 Y CB -1.158 37.514 38.460 0.354 0.000 0.982 51 Y HN 0.078 nan 8.280 nan 0.000 0.515 52 Y N -0.380 120.073 120.300 0.255 0.000 2.097 52 Y HA -0.308 4.234 4.550 -0.014 0.000 0.282 52 Y C 2.053 177.941 175.900 -0.020 0.000 1.152 52 Y CA 1.397 59.547 58.100 0.085 0.000 1.136 52 Y CB -1.204 37.219 38.460 -0.061 0.000 0.975 52 Y HN 0.045 nan 8.280 nan 0.000 0.498 53 F N 0.300 120.040 119.950 -0.350 0.000 2.161 53 F HA -0.200 4.318 4.527 -0.014 0.000 0.300 53 F C 2.636 178.269 175.800 -0.278 0.000 1.089 53 F CA 1.482 59.228 58.000 -0.423 0.000 1.282 53 F CB -0.814 38.115 39.000 -0.117 0.000 1.010 53 F HN 0.230 nan 8.300 nan 0.000 0.485 54 A N -0.381 122.371 122.820 -0.113 0.000 1.930 54 A HA -0.148 4.164 4.320 -0.014 0.000 0.217 54 A C 2.038 179.449 177.584 -0.289 0.000 1.175 54 A CA 1.386 53.213 52.037 -0.349 0.000 0.627 54 A CB -0.923 17.560 19.000 -0.862 0.000 0.815 54 A HN 0.341 nan 8.150 nan 0.000 0.443 55 L N -0.196 120.991 121.223 -0.061 0.000 2.027 55 L HA -0.008 4.324 4.340 -0.014 0.000 0.206 55 L C 2.680 179.519 176.870 -0.052 0.000 1.074 55 L CA 2.115 57.058 54.840 0.172 0.000 0.745 55 L CB -0.937 41.302 42.059 0.301 0.000 0.898 55 L HN 0.338 nan 8.230 nan 0.000 0.433 56 A N -1.078 121.532 122.820 -0.349 0.000 1.892 56 A HA -0.310 4.001 4.320 -0.014 0.000 0.218 56 A C 2.162 179.377 177.584 -0.614 0.000 1.188 56 A CA 2.172 53.868 52.037 -0.567 0.000 0.631 56 A CB -1.188 17.137 19.000 -1.125 0.000 0.822 56 A HN 0.685 nan 8.150 nan 0.000 0.447 57 H N -0.825 117.909 119.070 -0.562 0.000 2.387 57 H HA -0.063 4.485 4.556 -0.014 0.000 0.299 57 H C 2.346 177.374 175.328 -0.500 0.000 1.090 57 H CA 1.979 57.631 56.048 -0.660 0.000 1.332 57 H CB -0.195 28.949 29.762 -1.031 0.000 1.386 57 H HN 0.480 nan 8.280 nan 0.000 0.516 58 T N -0.345 114.121 114.554 -0.146 0.000 2.746 58 T HA -0.125 4.217 4.350 -0.014 0.000 0.267 58 T C 2.240 177.098 174.700 0.263 0.000 1.039 58 T CA 1.306 63.520 62.100 0.191 0.000 1.142 58 T CB -0.339 68.708 68.868 0.299 0.000 0.866 58 T HN 0.102 nan 8.240 nan 0.000 0.444 59 V N 1.433 121.455 119.914 0.180 0.000 2.379 59 V HA -0.093 4.019 4.120 -0.014 0.000 0.245 59 V C 2.617 178.877 176.094 0.276 0.000 1.044 59 V CA 1.436 63.879 62.300 0.238 0.000 1.036 59 V CB -0.618 31.345 31.823 0.232 0.000 0.664 59 V HN 0.357 nan 8.190 nan 0.000 0.453 60 R N 0.307 120.916 120.500 0.182 0.000 2.103 60 R HA -0.233 4.098 4.340 -0.014 0.000 0.242 60 R C 2.001 178.404 176.300 0.173 0.000 1.142 60 R CA 2.202 58.406 56.100 0.173 0.000 0.960 60 R CB -0.459 29.782 30.300 -0.099 0.000 0.858 60 R HN 0.486 nan 8.270 nan 0.000 0.439 61 D N -0.176 120.318 120.400 0.157 0.000 2.158 61 D HA -0.188 4.444 4.640 -0.014 0.000 0.197 61 D C 1.773 178.103 176.300 0.051 0.000 0.995 61 D CA 1.243 55.312 54.000 0.115 0.000 0.846 61 D CB -0.478 40.387 40.800 0.108 0.000 0.941 61 D HN 0.496 nan 8.370 nan 0.000 0.456 62 H N -0.257 118.876 119.070 0.106 0.000 2.491 62 H HA 0.018 4.566 4.556 -0.014 0.000 0.290 62 H C 2.288 177.659 175.328 0.072 0.000 1.050 62 H CA 0.360 56.456 56.048 0.079 0.000 1.309 62 H CB 0.249 30.049 29.762 0.063 0.000 1.392 62 H HN 0.195 nan 8.280 nan 0.000 0.554 63 L N 0.520 121.857 121.223 0.190 0.000 2.095 63 L HA -0.127 4.205 4.340 -0.014 0.000 0.204 63 L C 2.814 179.801 176.870 0.195 0.000 1.080 63 L CA 0.671 55.591 54.840 0.133 0.000 0.759 63 L CB -0.219 41.891 42.059 0.084 0.000 0.914 63 L HN 0.124 nan 8.230 nan 0.000 0.439 64 V N -2.597 117.456 119.914 0.232 0.000 2.343 64 V HA -0.116 3.995 4.120 -0.014 0.000 0.247 64 V C 2.323 178.536 176.094 0.198 0.000 1.051 64 V CA 1.891 64.372 62.300 0.301 0.000 1.036 64 V CB -1.802 30.160 31.823 0.232 0.000 0.654 64 V HN 0.390 nan 8.190 nan 0.000 0.451 65 G N 0.222 109.091 108.800 0.114 0.000 2.446 65 G HA2 -0.228 3.724 3.960 -0.014 0.000 0.217 65 G HA3 -0.228 3.724 3.960 -0.014 0.000 0.217 65 G C 1.794 176.738 174.900 0.073 0.000 1.168 65 G CA 0.981 46.119 45.100 0.064 0.000 0.771 65 G HN 0.526 nan 8.290 nan 0.000 0.551 66 R N -1.454 119.100 120.500 0.090 0.000 2.092 66 R HA -0.061 4.271 4.340 -0.014 0.000 0.231 66 R C 2.262 178.642 176.300 0.134 0.000 1.119 66 R CA 1.012 57.154 56.100 0.071 0.000 0.970 66 R CB -0.344 29.983 30.300 0.044 0.000 0.864 66 R HN 0.479 nan 8.270 nan 0.000 0.440 67 W N 1.734 123.014 121.300 -0.033 0.000 2.354 67 W HA -0.103 4.549 4.660 -0.014 0.000 0.315 67 W C 1.720 178.213 176.519 -0.045 0.000 1.206 67 W CA 1.010 58.333 57.345 -0.037 0.000 1.290 67 W CB -0.653 28.804 29.460 -0.004 0.000 1.152 67 W HN -0.056 nan 8.180 nan 0.000 0.489 68 I N 0.212 120.822 120.570 0.066 0.000 2.226 68 I HA -0.328 3.833 4.170 -0.014 0.000 0.245 68 I C 2.624 178.720 176.117 -0.035 0.000 1.100 68 I CA 1.556 62.814 61.300 -0.069 0.000 1.374 68 I CB -0.619 37.347 38.000 -0.056 0.000 1.057 68 I HN -0.100 nan 8.210 nan 0.000 0.413 69 R N 0.015 120.512 120.500 -0.005 0.000 2.092 69 R HA -0.101 4.231 4.340 -0.014 0.000 0.231 69 R C 2.347 178.613 176.300 -0.057 0.000 1.119 69 R CA 1.828 57.917 56.100 -0.019 0.000 0.970 69 R CB -0.548 29.741 30.300 -0.019 0.000 0.864 69 R HN 0.354 nan 8.270 nan 0.000 0.440 70 T N 1.194 115.692 114.554 -0.092 0.000 2.652 70 T HA -0.156 4.186 4.350 -0.014 0.000 0.267 70 T C 1.784 176.226 174.700 -0.431 0.000 1.039 70 T CA 1.125 63.063 62.100 -0.270 0.000 1.153 70 T CB -0.124 68.626 68.868 -0.196 0.000 0.863 70 T HN 0.192 nan 8.240 nan 0.000 0.428 71 Q N 0.714 120.401 119.800 -0.190 0.000 2.167 71 Q HA -0.072 4.260 4.340 -0.014 0.000 0.202 71 Q C 2.349 178.358 176.000 0.017 0.000 0.970 71 Q CA 1.222 56.983 55.803 -0.070 0.000 0.855 71 Q CB -0.478 28.247 28.738 -0.021 0.000 0.911 71 Q HN 0.537 nan 8.270 nan 0.000 0.438 72 Q N 0.283 120.087 119.800 0.006 0.000 2.084 72 Q HA -0.197 4.135 4.340 -0.014 0.000 0.202 72 Q C 1.927 178.010 176.000 0.139 0.000 0.978 72 Q CA 1.966 57.825 55.803 0.093 0.000 0.844 72 Q CB -0.399 28.375 28.738 0.060 0.000 0.898 72 Q HN 0.555 nan 8.270 nan 0.000 0.426 73 H N -1.044 117.996 119.070 -0.050 0.000 2.387 73 H HA -0.183 4.365 4.556 -0.014 0.000 0.299 73 H C 1.085 176.458 175.328 0.075 0.000 1.099 73 H CA 2.220 58.241 56.048 -0.044 0.000 1.315 73 H CB -0.226 29.448 29.762 -0.147 0.000 1.380 73 H HN 0.376 nan 8.280 nan 0.000 0.513 74 Y N -1.132 119.193 120.300 0.041 0.000 2.293 74 Y HA -0.152 4.390 4.550 -0.014 0.000 0.291 74 Y C 2.352 178.271 175.900 0.032 0.000 1.137 74 Y CA 0.979 59.077 58.100 -0.004 0.000 1.202 74 Y CB -1.267 37.250 38.460 0.096 0.000 0.990 74 Y HN 0.373 nan 8.280 nan 0.000 0.537 75 Y N 1.403 121.771 120.300 0.114 0.000 2.242 75 Y HA -0.158 4.383 4.550 -0.014 0.000 0.291 75 Y C 1.963 177.864 175.900 0.001 0.000 1.137 75 Y CA 1.608 59.739 58.100 0.052 0.000 1.181 75 Y CB -0.092 38.390 38.460 0.037 0.000 0.989 75 Y HN 0.026 nan 8.280 nan 0.000 0.527 76 E N 0.315 120.416 120.200 -0.165 0.000 2.028 76 E HA -0.132 4.210 4.350 -0.014 0.000 0.190 76 E C 2.032 178.502 176.600 -0.217 0.000 0.984 76 E CA 1.123 57.367 56.400 -0.259 0.000 0.800 76 E CB -0.329 29.297 29.700 -0.123 0.000 0.758 76 E HN 0.257 nan 8.360 nan 0.000 0.448 77 K N 0.922 121.195 120.400 -0.212 0.000 2.283 77 K HA -0.088 4.224 4.320 -0.014 0.000 0.202 77 K C -0.059 176.472 176.600 -0.114 0.000 1.048 77 K CA 0.726 56.902 56.287 -0.187 0.000 0.948 77 K CB -0.385 31.933 32.500 -0.303 0.000 0.742 77 K HN 0.067 nan 8.250 nan 0.000 0.458 78 D N -0.060 120.289 120.400 -0.085 0.000 2.735 78 D HA -0.128 4.504 4.640 -0.014 0.000 0.235 78 D C -2.344 173.932 176.300 -0.039 0.000 1.175 78 D CA 0.137 54.108 54.000 -0.049 0.000 0.683 78 D CB -0.158 40.590 40.800 -0.085 0.000 1.008 78 D HN 0.164 nan 8.370 nan 0.000 0.416 79 P HA 0.137 nan 4.420 nan 0.000 0.279 79 P C -0.248 177.014 177.300 -0.063 0.000 1.276 79 P CA -0.680 62.387 63.100 -0.055 0.000 0.801 79 P CB 0.618 32.272 31.700 -0.077 0.000 1.127 80 K N 0.947 121.313 120.400 -0.056 0.000 2.447 80 K HA 0.036 4.348 4.320 -0.014 0.000 0.281 80 K C -0.062 176.461 176.600 -0.129 0.000 1.031 80 K CA 0.108 56.356 56.287 -0.064 0.000 1.019 80 K CB 0.146 32.626 32.500 -0.034 0.000 0.918 80 K HN 0.255 nan 8.250 nan 0.000 0.476 81 R N 3.833 124.247 120.500 -0.143 0.000 2.312 81 R HA 0.326 4.657 4.340 -0.014 0.000 0.311 81 R C -0.544 175.510 176.300 -0.410 0.000 1.004 81 R CA -0.544 55.394 56.100 -0.269 0.000 0.902 81 R CB 0.844 31.001 30.300 -0.237 0.000 1.073 81 R HN 0.488 nan 8.270 nan 0.000 0.457 82 I N 4.444 124.709 120.570 -0.507 0.000 2.321 82 I HA 0.206 4.367 4.170 -0.014 0.000 0.291 82 I C -0.614 175.197 176.117 -0.511 0.000 0.998 82 I CA -0.827 60.126 61.300 -0.578 0.000 1.227 82 I CB 0.698 38.228 38.000 -0.784 0.000 1.368 82 I HN 0.532 nan 8.210 nan 0.000 0.466 83 Y N 5.997 126.252 120.300 -0.075 0.000 2.356 83 Y HA 0.301 4.843 4.550 -0.014 0.000 0.334 83 Y C -0.311 175.678 175.900 0.147 0.000 0.958 83 Y CA -0.692 57.478 58.100 0.117 0.000 1.196 83 Y CB 1.202 39.684 38.460 0.037 0.000 1.137 83 Y HN 0.415 nan 8.280 nan 0.000 0.485 84 Y N 4.638 125.101 120.300 0.273 0.000 2.434 84 Y HA 0.509 5.051 4.550 -0.014 0.000 0.341 84 Y C -1.377 174.769 175.900 0.410 0.000 0.965 84 Y CA -1.005 57.263 58.100 0.279 0.000 1.205 84 Y CB 0.339 38.960 38.460 0.269 0.000 1.121 84 Y HN 0.524 nan 8.280 nan 0.000 0.507 85 L N 5.142 126.401 121.223 0.059 0.000 2.257 85 L HA 0.492 4.824 4.340 -0.014 0.000 0.290 85 L C -0.244 176.619 176.870 -0.012 0.000 1.044 85 L CA 0.103 55.035 54.840 0.154 0.000 0.810 85 L CB 1.339 43.470 42.059 0.120 0.000 1.193 85 L HN 0.574 nan 8.230 nan 0.000 0.425 86 S N 2.442 118.209 115.700 0.112 0.000 2.536 86 S HA 0.520 4.982 4.470 -0.014 0.000 0.271 86 S C 0.242 174.907 174.600 0.107 0.000 1.134 86 S CA -0.498 57.665 58.200 -0.062 0.000 0.897 86 S CB 1.083 64.006 63.200 -0.463 0.000 1.094 86 S HN 0.466 nan 8.310 nan 0.000 0.473 87 L N 2.841 124.170 121.223 0.176 0.000 2.591 87 L HA 0.444 4.775 4.340 -0.014 0.000 0.228 87 L C 0.278 177.334 176.870 0.310 0.000 1.133 87 L CA 0.950 55.965 54.840 0.292 0.000 0.880 87 L CB -0.109 42.129 42.059 0.298 0.000 1.033 87 L HN 0.642 nan 8.230 nan 0.000 0.450 88 E N -1.137 119.111 120.200 0.079 0.000 2.275 88 E HA 0.407 4.748 4.350 -0.014 0.000 0.270 88 E C -1.397 175.077 176.600 -0.210 0.000 0.882 88 E CA -0.428 56.006 56.400 0.056 0.000 0.758 88 E CB 1.855 31.567 29.700 0.019 0.000 1.195 88 E HN -0.161 nan 8.360 nan 0.000 0.419 89 F N 2.189 122.235 119.950 0.160 0.000 2.716 89 F HA 0.186 4.704 4.527 -0.014 0.000 0.354 89 F C -0.854 175.021 175.800 0.126 0.000 1.168 89 F CA -0.796 57.289 58.000 0.141 0.000 1.045 89 F CB 1.024 40.099 39.000 0.125 0.000 1.311 89 F HN 0.478 nan 8.300 nan 0.000 0.477 90 Y N 5.384 125.756 120.300 0.120 0.000 2.714 90 Y HA 0.252 4.793 4.550 -0.013 0.000 0.333 90 Y C 0.838 176.754 175.900 0.026 0.000 1.220 90 Y CA -1.146 56.974 58.100 0.032 0.000 1.513 90 Y CB 0.426 38.885 38.460 -0.002 0.000 1.435 90 Y HN 0.558 nan 8.280 nan 0.000 0.489 91 M N 1.715 121.464 119.600 0.248 0.000 2.388 91 M HA 0.130 4.602 4.480 -0.014 0.000 0.265 91 M C 1.526 177.809 176.300 -0.029 0.000 1.088 91 M CA 1.042 56.386 55.300 0.073 0.000 1.134 91 M CB -1.166 31.448 32.600 0.024 0.000 1.384 91 M HN 0.710 nan 8.290 nan 0.000 0.447 92 G N 1.441 110.244 108.800 0.004 0.000 2.569 92 G HA2 -0.271 3.681 3.960 -0.014 0.000 0.259 92 G HA3 -0.271 3.681 3.960 -0.014 0.000 0.259 92 G C -0.274 174.586 174.900 -0.068 0.000 1.263 92 G CA -0.344 44.710 45.100 -0.076 0.000 0.928 92 G HN 0.462 nan 8.290 nan 0.000 0.572 93 R N -0.662 119.775 120.500 -0.105 0.000 2.582 93 R HA 0.540 4.871 4.340 -0.014 0.000 0.271 93 R C 0.984 177.163 176.300 -0.201 0.000 1.078 93 R CA 0.293 56.337 56.100 -0.093 0.000 1.127 93 R CB 0.595 30.847 30.300 -0.080 0.000 1.038 93 R HN 0.521 nan 8.270 nan 0.000 0.500 94 T N 1.061 115.441 114.554 -0.290 0.000 2.978 94 T HA -0.012 4.330 4.350 -0.014 0.000 0.248 94 T C 1.505 175.826 174.700 -0.631 0.000 1.018 94 T CA -0.126 61.590 62.100 -0.640 0.000 1.026 94 T CB 0.117 68.196 68.868 -1.315 0.000 1.032 94 T HN 0.340 nan 8.240 nan 0.000 0.485 95 L N 1.919 122.990 121.223 -0.254 0.000 1.970 95 L HA -0.063 4.269 4.340 -0.014 0.000 0.212 95 L C 2.459 179.295 176.870 -0.058 0.000 1.071 95 L CA 2.027 56.876 54.840 0.015 0.000 0.751 95 L CB -0.648 41.624 42.059 0.356 0.000 0.889 95 L HN 0.183 nan 8.230 nan 0.000 0.432 96 Q N -0.794 118.969 119.800 -0.062 0.000 2.084 96 Q HA -0.246 4.085 4.340 -0.014 0.000 0.202 96 Q C 2.245 178.174 176.000 -0.117 0.000 0.978 96 Q CA 1.803 57.564 55.803 -0.069 0.000 0.844 96 Q CB -0.300 28.394 28.738 -0.074 0.000 0.898 96 Q HN 0.700 nan 8.270 nan 0.000 0.426 97 N N -0.994 117.598 118.700 -0.181 0.000 2.104 97 N HA -0.152 4.580 4.740 -0.014 0.000 0.190 97 N C 1.352 176.755 175.510 -0.177 0.000 1.024 97 N CA 1.808 54.741 53.050 -0.194 0.000 0.853 97 N CB 0.070 38.405 38.487 -0.252 0.000 1.008 97 N HN 0.223 nan 8.380 nan 0.000 0.424 98 T N 1.294 115.708 114.554 -0.233 0.000 2.777 98 T HA -0.056 4.286 4.350 -0.014 0.000 0.266 98 T C 2.085 176.723 174.700 -0.103 0.000 1.040 98 T CA 1.048 63.029 62.100 -0.198 0.000 1.141 98 T CB -0.078 68.623 68.868 -0.278 0.000 0.868 98 T HN 0.256 nan 8.240 nan 0.000 0.444 99 M N 0.599 120.155 119.600 -0.074 0.000 2.080 99 M HA -0.104 4.367 4.480 -0.014 0.000 0.260 99 M C 2.504 178.771 176.300 -0.055 0.000 1.068 99 M CA 1.342 56.612 55.300 -0.050 0.000 1.109 99 M CB -0.720 31.865 32.600 -0.025 0.000 1.342 99 M HN 0.093 nan 8.290 nan 0.000 0.405 100 V N 1.024 120.911 119.914 -0.045 0.000 2.255 100 V HA -0.291 3.821 4.120 -0.014 0.000 0.247 100 V C 1.830 177.932 176.094 0.014 0.000 1.051 100 V CA 2.039 64.337 62.300 -0.003 0.000 1.018 100 V CB -0.866 30.957 31.823 -0.000 0.000 0.641 100 V HN 0.478 nan 8.190 nan 0.000 0.445 101 N N -0.443 118.253 118.700 -0.006 0.000 2.459 101 N HA -0.046 4.686 4.740 -0.014 0.000 0.181 101 N C 1.126 176.549 175.510 -0.145 0.000 1.046 101 N CA 0.730 53.761 53.050 -0.032 0.000 0.904 101 N CB -0.119 38.357 38.487 -0.019 0.000 0.964 101 N HN 0.289 nan 8.380 nan 0.000 0.444 102 L N -0.277 120.876 121.223 -0.116 0.000 2.585 102 L HA 0.381 4.713 4.340 -0.014 0.000 0.226 102 L C 0.676 177.469 176.870 -0.129 0.000 1.113 102 L CA -0.102 54.669 54.840 -0.115 0.000 0.876 102 L CB -0.642 41.370 42.059 -0.078 0.000 1.072 102 L HN 0.113 nan 8.230 nan 0.000 0.468 103 A N -0.665 122.076 122.820 -0.132 0.000 2.930 103 A HA -0.208 4.104 4.320 -0.014 0.000 0.273 103 A C 1.034 178.563 177.584 -0.091 0.000 1.435 103 A CA 0.890 52.858 52.037 -0.114 0.000 0.780 103 A CB -1.982 16.936 19.000 -0.136 0.000 1.034 103 A HN 0.197 nan 8.150 nan 0.000 0.562 104 L N -0.661 120.508 121.223 -0.090 0.000 2.693 104 L HA 0.264 4.596 4.340 -0.014 0.000 0.235 104 L C 1.804 178.637 176.870 -0.062 0.000 1.127 104 L CA 1.541 56.322 54.840 -0.099 0.000 0.914 104 L CB -0.319 41.653 42.059 -0.146 0.000 1.193 104 L HN 0.629 nan 8.230 nan 0.000 0.502 105 E N -0.244 119.929 120.200 -0.045 0.000 2.051 105 E HA -0.215 4.126 4.350 -0.014 0.000 0.192 105 E C 1.505 178.091 176.600 -0.023 0.000 0.991 105 E CA 1.213 57.597 56.400 -0.027 0.000 0.799 105 E CB 0.322 30.009 29.700 -0.021 0.000 0.748 105 E HN 0.404 nan 8.360 nan 0.000 0.449 106 N N 0.188 118.870 118.700 -0.029 0.000 2.142 106 N HA -0.111 4.620 4.740 -0.014 0.000 0.186 106 N C 1.573 177.065 175.510 -0.030 0.000 1.023 106 N CA 1.186 54.218 53.050 -0.030 0.000 0.852 106 N CB -0.373 38.095 38.487 -0.032 0.000 0.998 106 N HN 0.202 nan 8.380 nan 0.000 0.424 107 A N 0.552 123.352 122.820 -0.033 0.000 1.865 107 A HA -0.162 4.150 4.320 -0.014 0.000 0.217 107 A C 2.656 180.228 177.584 -0.020 0.000 1.191 107 A CA 1.481 53.500 52.037 -0.030 0.000 0.623 107 A CB -1.075 17.899 19.000 -0.042 0.000 0.826 107 A HN 0.446 nan 8.150 nan 0.000 0.444 108 C N -0.795 118.493 119.300 -0.019 0.000 2.425 108 C HA -0.073 4.379 4.460 -0.014 0.000 0.277 108 C C 2.467 177.457 174.990 0.001 0.000 1.280 108 C CA 1.040 60.059 59.018 0.000 0.000 1.744 108 C CB -1.171 26.580 27.740 0.018 0.000 1.989 108 C HN 0.671 nan 8.230 nan 0.000 0.491 109 D N 0.677 121.077 120.400 -0.000 0.000 2.097 109 D HA -0.141 4.490 4.640 -0.014 0.000 0.195 109 D C 2.131 178.442 176.300 0.019 0.000 0.989 109 D CA 1.515 55.519 54.000 0.007 0.000 0.827 109 D CB -0.252 40.543 40.800 -0.009 0.000 0.966 109 D HN 0.476 nan 8.370 nan 0.000 0.456 110 E N 0.326 120.525 120.200 -0.003 0.000 2.031 110 E HA -0.066 4.275 4.350 -0.014 0.000 0.193 110 E C 1.910 178.537 176.600 0.046 0.000 0.994 110 E CA 1.674 58.080 56.400 0.010 0.000 0.800 110 E CB -0.581 29.108 29.700 -0.018 0.000 0.752 110 E HN 0.199 nan 8.360 nan 0.000 0.447 111 A N -0.153 122.669 122.820 0.002 0.000 1.908 111 A HA -0.222 4.090 4.320 -0.014 0.000 0.218 111 A C 2.469 179.988 177.584 -0.109 0.000 1.181 111 A CA 2.848 54.865 52.037 -0.033 0.000 0.627 111 A CB -1.409 17.575 19.000 -0.027 0.000 0.818 111 A HN 0.528 nan 8.150 nan 0.000 0.445 112 T N -3.722 110.763 114.554 -0.115 0.000 2.812 112 T HA -0.195 4.146 4.350 -0.014 0.000 0.264 112 T C 1.862 176.487 174.700 -0.126 0.000 1.042 112 T CA 1.418 63.394 62.100 -0.207 0.000 1.140 112 T CB -0.646 68.137 68.868 -0.142 0.000 0.870 112 T HN 0.470 nan 8.240 nan 0.000 0.445 113 Y N 2.173 122.396 120.300 -0.128 0.000 2.165 113 Y HA -0.163 4.379 4.550 -0.013 0.000 0.286 113 Y C 2.658 178.497 175.900 -0.102 0.000 1.155 113 Y CA 1.719 59.761 58.100 -0.097 0.000 1.164 113 Y CB -0.394 38.028 38.460 -0.064 0.000 0.978 113 Y HN 0.247 nan 8.280 nan 0.000 0.513 114 Q N -0.948 118.862 119.800 0.016 0.000 2.230 114 Q HA -0.100 4.232 4.340 -0.014 0.000 0.202 114 Q C 1.507 177.418 176.000 -0.148 0.000 0.963 114 Q CA 0.648 56.420 55.803 -0.052 0.000 0.866 114 Q CB 0.022 28.773 28.738 0.022 0.000 0.931 114 Q HN 0.365 nan 8.270 nan 0.000 0.452 115 L N -0.787 120.314 121.223 -0.204 0.000 2.599 115 L HA 0.117 4.448 4.340 -0.014 0.000 0.230 115 L C 1.138 177.847 176.870 -0.269 0.000 1.141 115 L CA 1.252 55.943 54.840 -0.247 0.000 0.877 115 L CB -0.718 41.106 42.059 -0.392 0.000 1.009 115 L HN 0.339 nan 8.230 nan 0.000 0.447 116 G N 0.063 108.685 108.800 -0.297 0.000 2.171 116 G HA2 -0.242 3.709 3.960 -0.014 0.000 0.238 116 G HA3 -0.242 3.709 3.960 -0.014 0.000 0.238 116 G C -0.010 174.728 174.900 -0.271 0.000 1.039 116 G CA 0.138 45.055 45.100 -0.304 0.000 0.759 116 G HN 0.293 nan 8.290 nan 0.000 0.501 117 L N -0.243 120.823 121.223 -0.263 0.000 2.354 117 L HA 0.604 4.935 4.340 -0.014 0.000 0.269 117 L C -0.536 176.282 176.870 -0.087 0.000 1.005 117 L CA -1.201 53.520 54.840 -0.198 0.000 0.819 117 L CB 1.912 43.804 42.059 -0.278 0.000 1.311 117 L HN 0.074 nan 8.230 nan 0.000 0.423 118 D N 2.100 122.483 120.400 -0.028 0.000 2.347 118 D HA 0.174 4.805 4.640 -0.014 0.000 0.235 118 D C 0.628 176.955 176.300 0.044 0.000 1.149 118 D CA -0.161 53.856 54.000 0.028 0.000 0.850 118 D CB 1.522 42.343 40.800 0.036 0.000 1.061 118 D HN 0.508 nan 8.370 nan 0.000 0.487 119 M N 3.217 122.847 119.600 0.051 0.000 2.117 119 M HA -0.151 4.320 4.480 -0.014 0.000 0.262 119 M C 1.438 177.782 176.300 0.072 0.000 1.065 119 M CA 1.502 56.842 55.300 0.066 0.000 1.114 119 M CB 0.183 32.817 32.600 0.056 0.000 1.361 119 M HN 0.424 nan 8.290 nan 0.000 0.408 120 E N -0.206 120.028 120.200 0.056 0.000 2.118 120 E HA -0.275 4.066 4.350 -0.014 0.000 0.195 120 E C 1.856 178.488 176.600 0.053 0.000 0.992 120 E CA 1.501 57.930 56.400 0.049 0.000 0.804 120 E CB -0.225 29.500 29.700 0.043 0.000 0.741 120 E HN 0.649 nan 8.360 nan 0.000 0.458 121 E N 0.453 120.689 120.200 0.060 0.000 2.047 121 E HA -0.194 4.148 4.350 -0.014 0.000 0.191 121 E C 1.978 178.621 176.600 0.072 0.000 0.987 121 E CA 0.628 57.065 56.400 0.062 0.000 0.799 121 E CB 0.156 29.895 29.700 0.064 0.000 0.752 121 E HN 0.074 nan 8.360 nan 0.000 0.449 122 L N 1.434 122.723 121.223 0.110 0.000 2.131 122 L HA -0.141 4.190 4.340 -0.014 0.000 0.210 122 L C 2.086 179.020 176.870 0.107 0.000 1.092 122 L CA 1.593 56.533 54.840 0.168 0.000 0.759 122 L CB -0.691 41.524 42.059 0.259 0.000 0.903 122 L HN 0.143 nan 8.230 nan 0.000 0.435 123 E N -0.682 119.568 120.200 0.082 0.000 2.153 123 E HA -0.187 4.154 4.350 -0.014 0.000 0.194 123 E C 1.864 178.424 176.600 -0.067 0.000 0.988 123 E CA 0.791 57.210 56.400 0.031 0.000 0.811 123 E CB 0.041 29.764 29.700 0.038 0.000 0.746 123 E HN 0.419 nan 8.360 nan 0.000 0.466 124 E N 0.225 120.400 120.200 -0.042 0.000 2.347 124 E HA -0.101 4.241 4.350 -0.014 0.000 0.196 124 E C 1.901 178.437 176.600 -0.106 0.000 1.008 124 E CA 0.514 56.888 56.400 -0.043 0.000 0.852 124 E CB 0.051 29.762 29.700 0.017 0.000 0.783 124 E HN 0.391 nan 8.360 nan 0.000 0.505 125 I N 1.042 121.493 120.570 -0.198 0.000 2.439 125 I HA -0.128 4.033 4.170 -0.014 0.000 0.251 125 I C 1.407 177.231 176.117 -0.488 0.000 1.139 125 I CA 0.328 61.450 61.300 -0.297 0.000 1.438 125 I CB 0.074 37.914 38.000 -0.265 0.000 1.085 125 I HN -0.014 nan 8.210 nan 0.000 0.427 126 E N 2.328 122.100 120.200 -0.713 0.000 2.415 126 E HA -0.104 4.238 4.350 -0.014 0.000 0.263 126 E C 0.072 176.569 176.600 -0.172 0.000 0.995 126 E CA -0.096 55.941 56.400 -0.604 0.000 0.915 126 E CB 0.528 29.983 29.700 -0.408 0.000 0.951 126 E HN 0.095 nan 8.360 nan 0.000 0.449 127 E N 3.242 123.432 120.200 -0.016 0.000 2.354 127 E HA 0.046 4.388 4.350 -0.014 0.000 0.269 127 E C -1.145 175.548 176.600 0.154 0.000 1.036 127 E CA -0.331 56.145 56.400 0.126 0.000 0.876 127 E CB 0.711 30.569 29.700 0.264 0.000 1.009 127 E HN 0.354 nan 8.360 nan 0.000 0.416 128 D N 2.353 122.825 120.400 0.121 0.000 2.458 128 D HA 0.184 4.816 4.640 -0.014 0.000 0.243 128 D C -0.771 175.590 176.300 0.101 0.000 1.146 128 D CA 0.481 54.538 54.000 0.095 0.000 0.877 128 D CB 0.745 41.597 40.800 0.087 0.000 1.176 128 D HN 0.482 nan 8.370 nan 0.000 0.461 129 A N 2.747 125.588 122.820 0.036 0.000 2.437 129 A HA 0.481 4.792 4.320 -0.014 0.000 0.303 129 A C 0.988 178.439 177.584 -0.222 0.000 1.324 129 A CA -0.391 51.485 52.037 -0.268 0.000 0.983 129 A CB 0.031 18.919 19.000 -0.186 0.000 1.142 129 A HN 0.593 nan 8.150 nan 0.000 0.541 130 G N 2.380 110.946 108.800 -0.389 0.000 4.420 130 G HA2 0.429 4.381 3.960 -0.014 0.000 0.299 130 G HA3 0.429 4.381 3.960 -0.014 0.000 0.299 130 G C 0.292 174.853 174.900 -0.565 0.000 1.343 130 G CA -0.303 44.569 45.100 -0.381 0.000 1.272 130 G HN 0.687 nan 8.290 nan 0.000 0.610 131 L N 1.245 122.218 121.223 -0.415 0.000 2.777 131 L HA 0.345 4.677 4.340 -0.014 0.000 0.244 131 L C 1.069 177.855 176.870 -0.141 0.000 1.235 131 L CA -0.092 54.642 54.840 -0.177 0.000 1.062 131 L CB -0.347 41.733 42.059 0.034 0.000 1.340 131 L HN 0.331 nan 8.230 nan 0.000 0.439 132 G N -1.368 107.139 108.800 -0.488 0.000 2.660 132 G HA2 0.214 4.165 3.960 -0.014 0.000 0.290 132 G HA3 0.214 4.165 3.960 -0.014 0.000 0.290 132 G C -0.080 174.467 174.900 -0.589 0.000 1.432 132 G CA -0.452 44.410 45.100 -0.397 0.000 0.807 132 G HN -0.111 nan 8.290 nan 0.000 0.485 133 N N -0.764 117.794 118.700 -0.237 0.000 2.387 133 N HA 0.203 4.935 4.740 -0.014 0.000 0.176 133 N C 1.138 176.680 175.510 0.053 0.000 1.022 133 N CA 1.292 54.264 53.050 -0.129 0.000 0.883 133 N CB 1.217 39.697 38.487 -0.011 0.000 1.019 133 N HN 0.827 nan 8.380 nan 0.000 0.435 134 G N -0.706 108.195 108.800 0.168 0.000 2.725 134 G HA2 0.201 4.153 3.960 -0.014 0.000 0.098 134 G HA3 0.201 4.153 3.960 -0.014 0.000 0.098 134 G C 0.677 175.675 174.900 0.164 0.000 1.188 134 G CA 0.202 45.433 45.100 0.219 0.000 1.237 134 G HN 0.142 nan 8.290 nan 0.000 0.596 135 G N 0.263 109.114 108.800 0.086 0.000 2.418 135 G HA2 0.029 3.980 3.960 -0.014 0.000 0.217 135 G HA3 0.029 3.980 3.960 -0.014 0.000 0.217 135 G C 1.894 176.790 174.900 -0.007 0.000 1.158 135 G CA 1.716 46.834 45.100 0.031 0.000 0.771 135 G HN 0.827 nan 8.290 nan 0.000 0.545 136 L N 1.184 122.385 121.223 -0.035 0.000 2.012 136 L HA 0.118 4.450 4.340 -0.014 0.000 0.210 136 L C 2.795 179.603 176.870 -0.103 0.000 1.073 136 L CA 2.535 57.281 54.840 -0.157 0.000 0.748 136 L CB -0.785 41.139 42.059 -0.224 0.000 0.891 136 L HN 0.161 nan 8.230 nan 0.000 0.431 137 G N -1.115 107.679 108.800 -0.011 0.000 2.408 137 G HA2 -0.252 3.700 3.960 -0.014 0.000 0.217 137 G HA3 -0.252 3.700 3.960 -0.014 0.000 0.217 137 G C 1.735 176.703 174.900 0.114 0.000 1.150 137 G CA 0.492 45.615 45.100 0.038 0.000 0.776 137 G HN 0.232 nan 8.290 nan 0.000 0.542 138 R N 0.156 120.737 120.500 0.134 0.000 2.092 138 R HA 0.093 4.425 4.340 -0.014 0.000 0.231 138 R C 2.445 178.751 176.300 0.010 0.000 1.119 138 R CA 0.740 56.895 56.100 0.091 0.000 0.970 138 R CB -1.078 29.241 30.300 0.031 0.000 0.864 138 R HN 0.378 nan 8.270 nan 0.000 0.440 139 L N 0.649 121.813 121.223 -0.098 0.000 2.012 139 L HA -0.102 4.230 4.340 -0.014 0.000 0.210 139 L C 2.211 178.808 176.870 -0.455 0.000 1.073 139 L CA 2.293 56.937 54.840 -0.327 0.000 0.748 139 L CB -0.870 40.960 42.059 -0.382 0.000 0.891 139 L HN 0.214 nan 8.230 nan 0.000 0.431 140 A N -0.741 121.947 122.820 -0.220 0.000 1.908 140 A HA -0.177 4.134 4.320 -0.014 0.000 0.218 140 A C 2.433 180.095 177.584 0.129 0.000 1.181 140 A CA 1.987 53.986 52.037 -0.064 0.000 0.627 140 A CB -1.159 17.775 19.000 -0.111 0.000 0.818 140 A HN 0.577 nan 8.150 nan 0.000 0.445 141 A N -1.069 121.850 122.820 0.165 0.000 1.873 141 A HA -0.154 4.157 4.320 -0.014 0.000 0.215 141 A C 2.323 179.985 177.584 0.131 0.000 1.186 141 A CA 1.638 53.788 52.037 0.188 0.000 0.616 141 A CB -1.284 17.814 19.000 0.163 0.000 0.823 141 A HN 0.601 nan 8.150 nan 0.000 0.442 142 C N -1.480 117.900 119.300 0.133 0.000 2.429 142 C HA -0.077 4.375 4.460 -0.014 0.000 0.277 142 C C 2.432 177.587 174.990 0.277 0.000 1.262 142 C CA 0.678 59.813 59.018 0.195 0.000 1.733 142 C CB -1.637 26.240 27.740 0.228 0.000 2.010 142 C HN 0.604 nan 8.230 nan 0.000 0.483 143 F N 1.240 121.180 119.950 -0.017 0.000 2.126 143 F HA -0.090 4.428 4.527 -0.014 0.000 0.299 143 F C 2.242 177.979 175.800 -0.106 0.000 1.096 143 F CA 1.068 59.003 58.000 -0.109 0.000 1.255 143 F CB -1.371 37.436 39.000 -0.322 0.000 0.997 143 F HN 0.201 nan 8.300 nan 0.000 0.479 144 L N -0.444 120.849 121.223 0.117 0.000 2.017 144 L HA -0.254 4.077 4.340 -0.014 0.000 0.208 144 L C 2.181 179.058 176.870 0.012 0.000 1.073 144 L CA 1.947 56.809 54.840 0.037 0.000 0.745 144 L CB -0.841 41.240 42.059 0.038 0.000 0.894 144 L HN 0.096 nan 8.230 nan 0.000 0.432 145 D N -0.347 120.071 120.400 0.029 0.000 2.106 145 D HA -0.195 4.437 4.640 -0.014 0.000 0.191 145 D C 2.215 178.529 176.300 0.023 0.000 0.997 145 D CA 1.727 55.732 54.000 0.009 0.000 0.834 145 D CB 0.163 40.968 40.800 0.009 0.000 0.956 145 D HN 0.091 nan 8.370 nan 0.000 0.448 146 S N -0.824 114.906 115.700 0.049 0.000 2.382 146 S HA -0.124 4.338 4.470 -0.014 0.000 0.228 146 S C 2.000 176.608 174.600 0.015 0.000 1.027 146 S CA 0.925 59.145 58.200 0.034 0.000 0.991 146 S CB -0.230 62.995 63.200 0.041 0.000 0.823 146 S HN 0.338 nan 8.310 nan 0.000 0.469 147 M N 0.890 120.491 119.600 0.002 0.000 2.159 147 M HA -0.091 4.381 4.480 -0.014 0.000 0.263 147 M C 2.440 178.740 176.300 -0.001 0.000 1.063 147 M CA 1.396 56.695 55.300 -0.002 0.000 1.110 147 M CB -0.483 32.097 32.600 -0.033 0.000 1.374 147 M HN 0.396 nan 8.290 nan 0.000 0.411 148 A N -0.302 122.514 122.820 -0.008 0.000 1.898 148 A HA -0.116 4.196 4.320 -0.014 0.000 0.216 148 A C 2.156 179.753 177.584 0.021 0.000 1.181 148 A CA 1.978 54.015 52.037 -0.000 0.000 0.620 148 A CB -1.053 17.930 19.000 -0.028 0.000 0.819 148 A HN 0.415 nan 8.150 nan 0.000 0.442 149 T N 0.304 114.875 114.554 0.029 0.000 2.833 149 T HA -0.017 4.325 4.350 -0.014 0.000 0.269 149 T C 1.285 176.014 174.700 0.048 0.000 1.054 149 T CA 1.129 63.261 62.100 0.053 0.000 1.135 149 T CB -0.267 68.641 68.868 0.067 0.000 0.869 149 T HN 0.340 nan 8.240 nan 0.000 0.466 150 L N 0.510 121.756 121.223 0.040 0.000 2.685 150 L HA 0.307 4.639 4.340 -0.014 0.000 0.233 150 L C 1.579 178.479 176.870 0.049 0.000 1.173 150 L CA -0.125 54.740 54.840 0.042 0.000 0.961 150 L CB -0.420 41.662 42.059 0.039 0.000 1.217 150 L HN 0.390 nan 8.230 nan 0.000 0.478 151 G N 1.197 110.029 108.800 0.054 0.000 2.283 151 G HA2 -0.288 3.664 3.960 -0.014 0.000 0.280 151 G HA3 -0.288 3.664 3.960 -0.014 0.000 0.280 151 G C 0.096 175.046 174.900 0.085 0.000 1.029 151 G CA 0.096 45.245 45.100 0.081 0.000 0.840 151 G HN 0.300 nan 8.290 nan 0.000 0.505 152 L N -0.180 121.065 121.223 0.037 0.000 2.334 152 L HA 0.610 4.941 4.340 -0.014 0.000 0.277 152 L C 1.232 178.002 176.870 -0.167 0.000 1.075 152 L CA -0.427 54.392 54.840 -0.035 0.000 0.804 152 L CB 1.634 43.684 42.059 -0.015 0.000 1.174 152 L HN 0.253 nan 8.230 nan 0.000 0.438 153 A N 3.161 125.745 122.820 -0.394 0.000 3.030 153 A HA 0.523 4.835 4.320 -0.014 0.000 0.273 153 A C 0.350 177.587 177.584 -0.578 0.000 1.841 153 A CA -0.071 51.446 52.037 -0.867 0.000 1.479 153 A CB -0.747 17.600 19.000 -1.089 0.000 1.048 153 A HN 0.701 nan 8.150 nan 0.000 0.612 154 A N 1.465 123.995 122.820 -0.483 0.000 2.355 154 A HA 0.797 5.109 4.320 -0.014 0.000 0.324 154 A C -1.016 176.309 177.584 -0.432 0.000 1.117 154 A CA -0.487 51.329 52.037 -0.369 0.000 0.785 154 A CB 0.845 19.697 19.000 -0.246 0.000 1.254 154 A HN 0.605 nan 8.150 nan 0.000 0.453 155 Y N 0.296 120.521 120.300 -0.125 0.000 2.391 155 Y HA 0.537 5.079 4.550 -0.014 0.000 0.341 155 Y C 0.862 176.849 175.900 0.145 0.000 0.965 155 Y CA -0.577 57.531 58.100 0.013 0.000 1.067 155 Y CB 2.405 40.964 38.460 0.164 0.000 1.199 155 Y HN 0.829 nan 8.280 nan 0.000 0.450 156 G N 2.343 111.233 108.800 0.151 0.000 2.325 156 G HA2 0.426 4.377 3.960 -0.014 0.000 0.298 156 G HA3 0.426 4.377 3.960 -0.014 0.000 0.298 156 G C -1.686 173.242 174.900 0.047 0.000 1.134 156 G CA -0.196 45.022 45.100 0.195 0.000 0.876 156 G HN 0.529 nan 8.290 nan 0.000 0.452 157 Y N 1.160 121.697 120.300 0.395 0.000 2.376 157 Y HA 0.636 5.177 4.550 -0.014 0.000 0.340 157 Y C 0.773 176.973 175.900 0.501 0.000 0.965 157 Y CA 0.279 58.573 58.100 0.323 0.000 1.078 157 Y CB 2.686 41.357 38.460 0.351 0.000 1.193 157 Y HN 0.876 nan 8.280 nan 0.000 0.452 158 G N 2.263 111.377 108.800 0.523 0.000 2.664 158 G HA2 0.548 4.500 3.960 -0.014 0.000 0.303 158 G HA3 0.548 4.500 3.960 -0.014 0.000 0.303 158 G C -1.815 173.303 174.900 0.363 0.000 1.243 158 G CA -0.834 44.590 45.100 0.540 0.000 0.826 158 G HN 0.425 nan 8.290 nan 0.000 0.498 159 I N 0.647 121.323 120.570 0.178 0.000 2.441 159 I HA 0.435 4.597 4.170 -0.014 0.000 0.295 159 I C 0.396 176.387 176.117 -0.211 0.000 0.994 159 I CA -0.698 60.588 61.300 -0.022 0.000 1.144 159 I CB 2.170 39.984 38.000 -0.311 0.000 1.314 159 I HN 0.350 nan 8.210 nan 0.000 0.445 160 R N 6.149 126.640 120.500 -0.015 0.000 2.612 160 R HA 0.210 4.542 4.340 -0.014 0.000 0.273 160 R C -1.237 175.101 176.300 0.064 0.000 1.376 160 R CA -0.405 55.721 56.100 0.043 0.000 1.171 160 R CB -0.070 30.235 30.300 0.009 0.000 1.151 160 R HN 0.402 nan 8.270 nan 0.000 0.560 161 Y N 1.645 122.094 120.300 0.248 0.000 2.425 161 Y HA -0.070 4.471 4.550 -0.014 0.000 0.331 161 Y C 1.627 177.701 175.900 0.291 0.000 1.157 161 Y CA 0.017 58.253 58.100 0.226 0.000 1.372 161 Y CB 0.908 39.472 38.460 0.173 0.000 1.253 161 Y HN 0.592 nan 8.280 nan 0.000 0.536 162 E N 1.711 122.094 120.200 0.305 0.000 2.299 162 E HA -0.008 4.333 4.350 -0.014 0.000 0.193 162 E C -0.784 175.695 176.600 -0.201 0.000 0.998 162 E CA 0.593 57.003 56.400 0.017 0.000 0.851 162 E CB 0.088 29.667 29.700 -0.201 0.000 0.795 162 E HN 0.442 nan 8.360 nan 0.000 0.492 163 F N 1.067 121.230 119.950 0.354 0.000 2.460 163 F HA 0.503 5.021 4.527 -0.014 0.000 0.341 163 F C 0.921 176.797 175.800 0.126 0.000 1.130 163 F CA -0.832 57.328 58.000 0.266 0.000 0.962 163 F CB 1.971 41.064 39.000 0.156 0.000 1.171 163 F HN -0.020 nan 8.300 nan 0.000 0.436 164 G N 2.038 110.923 108.800 0.141 0.000 2.485 164 G HA2 0.277 4.229 3.960 -0.014 0.000 0.260 164 G HA3 0.277 4.229 3.960 -0.014 0.000 0.260 164 G C -0.411 174.425 174.900 -0.106 0.000 1.459 164 G CA -0.634 44.388 45.100 -0.129 0.000 1.060 164 G HN 0.564 nan 8.290 nan 0.000 0.546 165 I N 0.818 121.236 120.570 -0.253 0.000 2.710 165 I HA 0.217 4.379 4.170 -0.014 0.000 0.286 165 I C 0.516 176.515 176.117 -0.197 0.000 1.181 165 I CA -0.946 60.176 61.300 -0.298 0.000 1.430 165 I CB -0.173 37.537 38.000 -0.482 0.000 1.367 165 I HN 0.330 nan 8.210 nan 0.000 0.577 166 F N 5.970 125.927 119.950 0.013 0.000 2.595 166 F HA 0.231 4.749 4.527 -0.014 0.000 0.359 166 F C 0.541 176.390 175.800 0.082 0.000 1.147 166 F CA -0.613 57.418 58.000 0.053 0.000 1.341 166 F CB -0.410 38.612 39.000 0.038 0.000 1.104 166 F HN 0.412 nan 8.300 nan 0.000 0.603 167 N N 2.428 121.299 118.700 0.285 0.000 2.497 167 N HA 0.022 4.754 4.740 -0.014 0.000 0.271 167 N C -0.679 175.055 175.510 0.372 0.000 1.142 167 N CA -0.216 52.983 53.050 0.247 0.000 0.965 167 N CB 1.073 39.689 38.487 0.215 0.000 1.077 167 N HN 0.763 nan 8.380 nan 0.000 0.462 168 Q N 2.403 122.406 119.800 0.339 0.000 2.296 168 Q HA 0.181 4.512 4.340 -0.014 0.000 0.257 168 Q C -0.936 175.229 176.000 0.276 0.000 0.942 168 Q CA -0.266 55.761 55.803 0.374 0.000 0.939 168 Q CB 0.684 29.653 28.738 0.385 0.000 1.198 168 Q HN 0.306 nan 8.270 nan 0.000 0.429 169 K N 4.122 124.661 120.400 0.232 0.000 2.221 169 K HA 0.451 4.763 4.320 -0.014 0.000 0.258 169 K C -0.709 175.996 176.600 0.176 0.000 0.944 169 K CA -0.873 55.532 56.287 0.196 0.000 0.823 169 K CB 1.383 33.977 32.500 0.158 0.000 1.113 169 K HN 0.580 nan 8.250 nan 0.000 0.431 170 I N 2.377 123.047 120.570 0.167 0.000 2.321 170 I HA 0.179 4.340 4.170 -0.014 0.000 0.291 170 I C -0.270 175.914 176.117 0.111 0.000 0.998 170 I CA -0.659 60.712 61.300 0.119 0.000 1.227 170 I CB 0.872 38.929 38.000 0.095 0.000 1.368 170 I HN 0.604 nan 8.210 nan 0.000 0.466 171 C N 4.908 124.282 119.300 0.124 0.000 2.344 171 C HA 0.615 5.066 4.460 -0.014 0.000 0.326 171 C C 1.084 176.181 174.990 0.178 0.000 1.201 171 C CA 0.207 59.304 59.018 0.132 0.000 1.410 171 C CB 0.023 27.838 27.740 0.124 0.000 2.070 171 C HN 1.103 nan 8.230 nan 0.000 0.445 172 G N 3.849 112.724 108.800 0.126 0.000 2.225 172 G HA2 0.067 4.019 3.960 -0.014 0.000 0.267 172 G HA3 0.067 4.019 3.960 -0.014 0.000 0.267 172 G C 1.200 176.098 174.900 -0.002 0.000 1.024 172 G CA 1.188 46.364 45.100 0.128 0.000 0.784 172 G HN 2.554 nan 8.290 nan 0.000 0.507 173 G N -2.885 105.861 108.800 -0.090 0.000 2.179 173 G HA2 -0.294 3.657 3.960 -0.014 0.000 0.260 173 G HA3 -0.294 3.657 3.960 -0.014 0.000 0.260 173 G C 0.347 174.979 174.900 -0.445 0.000 0.977 173 G CA 0.631 45.548 45.100 -0.304 0.000 0.641 173 G HN 1.197 nan 8.290 nan 0.000 0.533 174 W N 0.950 122.208 121.300 -0.070 0.000 2.496 174 W HA 0.650 5.302 4.660 -0.014 0.000 0.327 174 W C 0.654 177.135 176.519 -0.064 0.000 1.086 174 W CA -0.918 56.381 57.345 -0.077 0.000 1.222 174 W CB 0.875 30.303 29.460 -0.053 0.000 1.304 174 W HN 0.254 nan 8.180 nan 0.000 0.547 175 Q N 3.368 123.275 119.800 0.178 0.000 2.311 175 Q HA 0.179 4.511 4.340 -0.014 0.000 0.272 175 Q C -0.547 175.522 176.000 0.116 0.000 1.012 175 Q CA 0.244 56.123 55.803 0.127 0.000 0.891 175 Q CB 0.528 29.331 28.738 0.107 0.000 1.201 175 Q HN 0.316 nan 8.270 nan 0.000 0.391 176 M N 3.133 122.796 119.600 0.105 0.000 2.456 176 M HA 0.384 4.856 4.480 -0.014 0.000 0.324 176 M C -1.043 175.286 176.300 0.047 0.000 1.124 176 M CA -0.725 54.606 55.300 0.053 0.000 0.959 176 M CB 1.754 34.395 32.600 0.069 0.000 1.692 176 M HN 0.591 nan 8.290 nan 0.000 0.444 177 E N 1.181 121.348 120.200 -0.055 0.000 2.204 177 E HA 0.516 4.858 4.350 -0.014 0.000 0.276 177 E C -0.968 175.650 176.600 0.029 0.000 0.974 177 E CA -0.426 55.927 56.400 -0.079 0.000 0.815 177 E CB 1.721 31.154 29.700 -0.446 0.000 1.119 177 E HN 0.487 nan 8.360 nan 0.000 0.393 178 E N 1.117 121.404 120.200 0.145 0.000 2.256 178 E HA 0.571 4.912 4.350 -0.014 0.000 0.268 178 E C -1.272 175.426 176.600 0.163 0.000 0.877 178 E CA -1.045 55.430 56.400 0.125 0.000 0.757 178 E CB 1.246 31.033 29.700 0.144 0.000 1.183 178 E HN 0.624 nan 8.360 nan 0.000 0.418 179 A N 3.647 126.519 122.820 0.087 0.000 2.567 179 A HA -0.014 4.298 4.320 -0.014 0.000 0.240 179 A C -0.021 177.722 177.584 0.265 0.000 1.053 179 A CA 0.410 52.501 52.037 0.090 0.000 0.755 179 A CB 0.053 18.969 19.000 -0.140 0.000 0.978 179 A HN 0.653 nan 8.150 nan 0.000 0.507 180 D N 1.815 122.440 120.400 0.374 0.000 2.494 180 D HA 0.214 4.846 4.640 -0.014 0.000 0.217 180 D C -0.467 176.160 176.300 0.545 0.000 1.153 180 D CA -0.201 54.027 54.000 0.380 0.000 0.954 180 D CB 0.406 41.358 40.800 0.254 0.000 1.034 180 D HN 0.390 nan 8.370 nan 0.000 0.518 181 D N 3.944 124.633 120.400 0.482 0.000 2.688 181 D HA -0.017 4.615 4.640 -0.014 0.000 0.228 181 D C 1.152 177.592 176.300 0.234 0.000 1.116 181 D CA -0.568 53.646 54.000 0.357 0.000 1.023 181 D CB -0.160 40.852 40.800 0.354 0.000 1.100 181 D HN 0.547 nan 8.370 nan 0.000 0.487 182 W N 1.889 123.217 121.300 0.047 0.000 2.525 182 W HA -0.030 4.621 4.660 -0.014 0.000 0.259 182 W C 0.183 176.750 176.519 0.080 0.000 1.253 182 W CA 0.097 57.492 57.345 0.084 0.000 1.262 182 W CB -0.750 28.759 29.460 0.081 0.000 1.122 182 W HN 0.183 nan 8.180 nan 0.000 0.607 183 L N 0.968 121.847 121.223 -0.575 0.000 2.592 183 L HA 0.161 4.492 4.340 -0.014 0.000 0.227 183 L C 2.795 179.502 176.870 -0.273 0.000 1.127 183 L CA 0.021 54.486 54.840 -0.624 0.000 0.884 183 L CB -0.618 40.946 42.059 -0.825 0.000 1.065 183 L HN -0.100 nan 8.230 nan 0.000 0.457 184 R N 0.668 121.068 120.500 -0.167 0.000 2.112 184 R HA -0.245 4.086 4.340 -0.014 0.000 0.242 184 R C 1.496 177.631 176.300 -0.276 0.000 1.137 184 R CA 2.187 58.156 56.100 -0.218 0.000 0.944 184 R CB -0.266 29.898 30.300 -0.227 0.000 0.857 184 R HN 0.297 nan 8.270 nan 0.000 0.435 185 Y N -0.395 119.918 120.300 0.023 0.000 2.466 185 Y HA 0.294 4.836 4.550 -0.014 0.000 0.272 185 Y C 0.907 176.801 175.900 -0.010 0.000 1.169 185 Y CA 0.568 58.690 58.100 0.036 0.000 1.285 185 Y CB 0.752 39.340 38.460 0.213 0.000 1.078 185 Y HN 0.485 nan 8.280 nan 0.000 0.523 186 G N 1.200 110.047 108.800 0.078 0.000 2.662 186 G HA2 -0.214 3.738 3.960 -0.014 0.000 0.686 186 G HA3 -0.214 3.738 3.960 -0.014 0.000 0.686 186 G C -1.276 173.701 174.900 0.128 0.000 1.271 186 G CA -0.796 44.319 45.100 0.025 0.000 0.816 186 G HN 0.245 nan 8.290 nan 0.000 0.608 187 N N 1.116 119.833 118.700 0.027 0.000 2.531 187 N HA 0.584 5.316 4.740 -0.014 0.000 0.268 187 N C -0.711 174.789 175.510 -0.016 0.000 1.023 187 N CA -1.947 51.128 53.050 0.042 0.000 0.896 187 N CB 2.100 40.545 38.487 -0.069 0.000 1.233 187 N HN 0.232 nan 8.380 nan 0.000 0.512 188 P HA 0.019 nan 4.420 nan 0.000 0.229 188 P C 0.676 177.658 177.300 -0.530 0.000 1.160 188 P CA 0.757 63.528 63.100 -0.548 0.000 0.777 188 P CB 0.127 31.167 31.700 -1.100 0.000 0.814 189 W N 1.962 123.253 121.300 -0.015 0.000 2.476 189 W HA 0.030 4.682 4.660 -0.014 0.000 0.281 189 W C 1.344 177.889 176.519 0.042 0.000 1.230 189 W CA -0.258 57.078 57.345 -0.016 0.000 1.287 189 W CB -0.394 29.057 29.460 -0.014 0.000 1.108 189 W HN 0.013 nan 8.180 nan 0.000 0.567 190 E N 1.786 122.146 120.200 0.268 0.000 2.349 190 E HA 0.301 4.642 4.350 -0.014 0.000 0.262 190 E C -0.642 176.124 176.600 0.276 0.000 1.088 190 E CA -0.679 55.892 56.400 0.284 0.000 0.899 190 E CB 1.266 31.141 29.700 0.291 0.000 1.044 190 E HN -0.286 nan 8.360 nan 0.000 0.420 191 K N 1.475 122.061 120.400 0.309 0.000 2.535 191 K HA 0.421 4.732 4.320 -0.014 0.000 0.253 191 K C -1.215 175.430 176.600 0.075 0.000 0.953 191 K CA -0.440 55.969 56.287 0.203 0.000 0.863 191 K CB 1.618 34.246 32.500 0.214 0.000 1.111 191 K HN 0.663 nan 8.250 nan 0.000 0.431 192 A N 4.171 126.948 122.820 -0.072 0.000 2.511 192 A HA 0.301 4.612 4.320 -0.014 0.000 0.242 192 A C -0.268 177.138 177.584 -0.296 0.000 1.069 192 A CA -0.080 51.657 52.037 -0.500 0.000 0.763 192 A CB 0.201 18.908 19.000 -0.489 0.000 1.001 192 A HN 0.672 nan 8.150 nan 0.000 0.498 193 R N 3.432 123.745 120.500 -0.312 0.000 2.983 193 R HA 0.206 4.538 4.340 -0.014 0.000 0.300 193 R C -2.306 173.880 176.300 -0.190 0.000 1.367 193 R CA -1.846 54.155 56.100 -0.164 0.000 1.564 193 R CB 0.568 30.928 30.300 0.100 0.000 1.314 193 R HN 0.567 nan 8.270 nan 0.000 0.622 194 P HA -0.192 nan 4.420 nan 0.000 0.221 194 P C 0.965 178.169 177.300 -0.159 0.000 1.145 194 P CA 1.123 64.134 63.100 -0.148 0.000 0.795 194 P CB 0.374 31.996 31.700 -0.130 0.000 0.775 195 E N 0.288 120.293 120.200 -0.326 0.000 2.268 195 E HA -0.154 4.188 4.350 -0.014 0.000 0.195 195 E C 0.854 177.216 176.600 -0.397 0.000 0.995 195 E CA 0.875 57.009 56.400 -0.443 0.000 0.836 195 E CB -1.051 28.237 29.700 -0.688 0.000 0.763 195 E HN 0.368 nan 8.360 nan 0.000 0.491 196 F N 2.006 121.967 119.950 0.018 0.000 2.750 196 F HA 0.236 4.755 4.527 -0.014 0.000 0.297 196 F C 0.393 176.278 175.800 0.142 0.000 1.138 196 F CA -0.656 57.384 58.000 0.067 0.000 1.346 196 F CB 0.527 39.563 39.000 0.060 0.000 0.965 196 F HN -0.288 nan 8.300 nan 0.000 0.514 197 T N 2.752 117.435 114.554 0.214 0.000 2.916 197 T HA 0.249 4.591 4.350 -0.014 0.000 0.303 197 T C -0.249 174.541 174.700 0.151 0.000 1.025 197 T CA 0.216 62.436 62.100 0.200 0.000 1.142 197 T CB 0.973 69.910 68.868 0.115 0.000 0.947 197 T HN -0.105 nan 8.240 nan 0.000 0.544 198 L N 5.397 126.678 121.223 0.096 0.000 2.370 198 L HA 0.585 4.916 4.340 -0.014 0.000 0.266 198 L C -2.260 174.555 176.870 -0.092 0.000 1.002 198 L CA -2.653 52.172 54.840 -0.026 0.000 0.818 198 L CB 1.867 43.839 42.059 -0.145 0.000 1.325 198 L HN 0.384 nan 8.230 nan 0.000 0.418 199 P HA 0.406 nan 4.420 nan 0.000 0.288 199 P C -1.222 175.922 177.300 -0.260 0.000 1.267 199 P CA -0.416 62.579 63.100 -0.174 0.000 0.815 199 P CB 1.635 33.227 31.700 -0.181 0.000 0.989 200 V N 3.614 123.352 119.914 -0.293 0.000 2.588 200 V HA 0.324 4.435 4.120 -0.014 0.000 0.304 200 V C 0.041 175.888 176.094 -0.411 0.000 1.042 200 V CA -0.602 61.512 62.300 -0.310 0.000 0.877 200 V CB 1.466 33.149 31.823 -0.234 0.000 0.996 200 V HN 0.599 nan 8.190 nan 0.000 0.425 201 H N 3.962 122.861 119.070 -0.285 0.000 2.463 201 H HA 0.616 5.164 4.556 -0.014 0.000 0.332 201 H C -1.263 173.778 175.328 -0.479 0.000 1.127 201 H CA -0.149 55.663 56.048 -0.395 0.000 1.238 201 H CB 1.905 31.205 29.762 -0.770 0.000 1.478 201 H HN 0.473 nan 8.280 nan 0.000 0.499 202 F N 0.291 120.309 119.950 0.113 0.000 2.603 202 F HA 0.221 4.740 4.527 -0.014 0.000 0.317 202 F C -0.201 175.722 175.800 0.204 0.000 1.066 202 F CA -0.531 57.532 58.000 0.106 0.000 0.941 202 F CB 1.061 40.022 39.000 -0.064 0.000 1.291 202 F HN 0.559 nan 8.300 nan 0.000 0.472 203 Y N 0.107 120.714 120.300 0.511 0.000 2.904 203 Y HA -0.000 4.541 4.550 -0.014 0.000 0.466 203 Y C 1.307 177.472 175.900 0.442 0.000 1.202 203 Y CA 0.606 58.928 58.100 0.370 0.000 2.492 203 Y CB -1.915 36.693 38.460 0.246 0.000 1.237 203 Y HN 1.267 nan 8.280 nan 0.000 0.633 204 G N 0.605 109.694 108.800 0.482 0.000 2.593 204 G HA2 0.117 4.069 3.960 -0.014 0.000 0.237 204 G HA3 0.117 4.069 3.960 -0.014 0.000 0.237 204 G C -0.646 174.477 174.900 0.372 0.000 1.312 204 G CA 0.784 46.089 45.100 0.342 0.000 0.896 204 G HN 1.360 nan 8.290 nan 0.000 0.574 205 R N -2.447 118.270 120.500 0.361 0.000 2.734 205 R HA 0.688 5.019 4.340 -0.014 0.000 0.271 205 R C -1.312 175.135 176.300 0.245 0.000 1.021 205 R CA -0.997 55.255 56.100 0.254 0.000 0.893 205 R CB 1.358 31.753 30.300 0.157 0.000 1.244 205 R HN 0.868 nan 8.270 nan 0.000 0.464 206 V N 1.074 121.046 119.914 0.097 0.000 2.407 206 V HA 0.311 4.423 4.120 -0.014 0.000 0.278 206 V C -0.046 175.995 176.094 -0.088 0.000 1.037 206 V CA -0.493 61.788 62.300 -0.032 0.000 0.900 206 V CB 1.216 32.949 31.823 -0.150 0.000 0.983 206 V HN 0.665 nan 8.190 nan 0.000 0.459 207 E N 3.408 123.536 120.200 -0.120 0.000 2.175 207 E HA 0.409 4.750 4.350 -0.014 0.000 0.278 207 E C -0.909 175.542 176.600 -0.248 0.000 0.969 207 E CA -0.669 55.671 56.400 -0.100 0.000 0.796 207 E CB 1.061 30.751 29.700 -0.018 0.000 1.104 207 E HN 0.682 nan 8.360 nan 0.000 0.395 208 H N 1.807 120.892 119.070 0.026 0.000 2.467 208 H HA 0.293 4.840 4.556 -0.014 0.000 0.326 208 H C 0.219 175.556 175.328 0.016 0.000 1.094 208 H CA -0.268 55.790 56.048 0.016 0.000 1.253 208 H CB 1.625 31.392 29.762 0.008 0.000 1.439 208 H HN 0.614 nan 8.280 nan 0.000 0.479 209 T N -1.409 113.210 114.554 0.108 0.000 2.645 209 T HA 0.204 4.546 4.350 -0.014 0.000 0.273 209 T C 1.321 176.056 174.700 0.057 0.000 0.960 209 T CA -0.508 61.632 62.100 0.066 0.000 1.051 209 T CB 0.704 69.595 68.868 0.038 0.000 1.366 209 T HN 0.360 nan 8.240 nan 0.000 0.536 210 S N 0.400 116.123 115.700 0.039 0.000 2.369 210 S HA -0.135 4.327 4.470 -0.014 0.000 0.225 210 S C 1.110 175.729 174.600 0.032 0.000 1.043 210 S CA 1.548 59.767 58.200 0.031 0.000 1.074 210 S CB -0.554 62.660 63.200 0.024 0.000 0.962 210 S HN 0.759 nan 8.310 nan 0.000 0.433 211 Q N 0.820 120.638 119.800 0.031 0.000 2.788 211 Q HA 0.513 4.845 4.340 -0.014 0.000 0.278 211 Q C 0.126 176.147 176.000 0.034 0.000 1.126 211 Q CA 0.283 56.104 55.803 0.031 0.000 1.017 211 Q CB 0.097 28.849 28.738 0.024 0.000 1.219 211 Q HN 0.531 nan 8.270 nan 0.000 0.503 212 G N 0.738 109.568 108.800 0.051 0.000 2.757 212 G HA2 0.057 4.009 3.960 -0.014 0.000 0.638 212 G HA3 0.057 4.009 3.960 -0.014 0.000 0.638 212 G C -0.614 174.314 174.900 0.047 0.000 1.344 212 G CA -0.617 44.520 45.100 0.062 0.000 0.855 212 G HN 0.813 nan 8.290 nan 0.000 0.537 213 A N -0.067 122.766 122.820 0.021 0.000 2.351 213 A HA 0.751 5.062 4.320 -0.014 0.000 0.257 213 A C 0.449 177.983 177.584 -0.084 0.000 1.087 213 A CA 0.600 52.566 52.037 -0.118 0.000 0.798 213 A CB 0.694 19.582 19.000 -0.187 0.000 1.033 213 A HN 0.865 nan 8.150 nan 0.000 0.488 214 K N 0.440 120.779 120.400 -0.103 0.000 2.507 214 K HA 0.226 4.538 4.320 -0.014 0.000 0.251 214 K C -1.838 174.796 176.600 0.057 0.000 0.943 214 K CA -0.315 55.963 56.287 -0.016 0.000 0.794 214 K CB 1.875 34.368 32.500 -0.012 0.000 1.188 214 K HN 0.716 nan 8.250 nan 0.000 0.428 215 W N 5.733 126.953 121.300 -0.133 0.000 2.342 215 W HA 0.383 5.034 4.660 -0.014 0.000 0.310 215 W C -0.780 175.680 176.519 -0.097 0.000 1.128 215 W CA -0.739 56.535 57.345 -0.118 0.000 1.322 215 W CB 0.232 29.610 29.460 -0.135 0.000 1.251 215 W HN 0.306 nan 8.180 nan 0.000 0.439 216 V N 2.678 122.651 119.914 0.099 0.000 3.126 216 V HA 0.587 4.699 4.120 -0.014 0.000 0.314 216 V C -0.058 176.021 176.094 -0.024 0.000 1.138 216 V CA -1.002 61.278 62.300 -0.034 0.000 1.034 216 V CB 1.977 33.809 31.823 0.015 0.000 1.075 216 V HN 0.460 nan 8.190 nan 0.000 0.442 217 D N 0.433 120.820 120.400 -0.023 0.000 2.772 217 D HA -0.144 4.488 4.640 -0.014 0.000 0.233 217 D C 0.588 176.904 176.300 0.027 0.000 1.143 217 D CA 1.516 55.527 54.000 0.018 0.000 0.700 217 D CB -1.397 39.435 40.800 0.054 0.000 1.076 217 D HN 1.275 nan 8.370 nan 0.000 0.430 218 T N -2.599 111.921 114.554 -0.057 0.000 2.882 218 T HA 0.448 4.789 4.350 -0.014 0.000 0.287 218 T C 0.494 175.260 174.700 0.110 0.000 1.014 218 T CA -0.684 61.396 62.100 -0.033 0.000 1.049 218 T CB 1.939 70.615 68.868 -0.320 0.000 1.001 218 T HN 0.029 nan 8.240 nan 0.000 0.525 219 Q N 0.752 120.688 119.800 0.227 0.000 2.243 219 Q HA 0.540 4.872 4.340 -0.014 0.000 0.252 219 Q C -0.836 175.283 176.000 0.197 0.000 0.909 219 Q CA -0.849 55.113 55.803 0.265 0.000 0.922 219 Q CB 1.732 30.713 28.738 0.406 0.000 1.215 219 Q HN 0.509 nan 8.270 nan 0.000 0.427 220 V N 3.250 123.230 119.914 0.110 0.000 2.427 220 V HA 0.335 4.446 4.120 -0.014 0.000 0.286 220 V C -0.246 175.869 176.094 0.033 0.000 1.034 220 V CA -0.594 61.673 62.300 -0.055 0.000 0.893 220 V CB 1.614 33.361 31.823 -0.126 0.000 0.982 220 V HN 0.495 nan 8.190 nan 0.000 0.452 221 V N 6.139 126.092 119.914 0.064 0.000 2.555 221 V HA 0.468 4.580 4.120 -0.014 0.000 0.302 221 V C -0.068 176.077 176.094 0.085 0.000 1.038 221 V CA -0.664 61.686 62.300 0.084 0.000 0.887 221 V CB 1.892 33.850 31.823 0.224 0.000 0.991 221 V HN 0.626 nan 8.190 nan 0.000 0.434 222 L N 3.737 125.005 121.223 0.075 0.000 2.326 222 L HA 0.683 5.014 4.340 -0.014 0.000 0.278 222 L C 0.480 177.507 176.870 0.262 0.000 1.092 222 L CA -0.268 54.635 54.840 0.105 0.000 0.810 222 L CB 1.196 43.299 42.059 0.074 0.000 1.153 222 L HN 0.747 nan 8.230 nan 0.000 0.439 223 A N 5.400 128.335 122.820 0.192 0.000 2.256 223 A HA 0.580 4.892 4.320 -0.014 0.000 0.317 223 A C -0.433 177.403 177.584 0.420 0.000 1.318 223 A CA -0.478 51.718 52.037 0.264 0.000 0.894 223 A CB 0.900 19.622 19.000 -0.463 0.000 1.165 223 A HN 0.799 nan 8.150 nan 0.000 0.525 224 M N 6.085 125.996 119.600 0.519 0.000 2.129 224 M HA 0.446 4.918 4.480 -0.014 0.000 0.348 224 M C -2.592 173.968 176.300 0.434 0.000 1.116 224 M CA -2.182 53.361 55.300 0.406 0.000 1.022 224 M CB 1.982 34.734 32.600 0.254 0.000 1.599 224 M HN 0.351 nan 8.290 nan 0.000 0.449 225 P HA 0.240 nan 4.420 nan 0.000 0.282 225 P C -1.920 175.315 177.300 -0.109 0.000 1.249 225 P CA 0.019 63.041 63.100 -0.130 0.000 0.806 225 P CB 0.512 31.961 31.700 -0.419 0.000 0.984 226 Y N 0.455 120.695 120.300 -0.101 0.000 2.331 226 Y HA 0.320 4.861 4.550 -0.014 0.000 0.334 226 Y C 0.134 176.018 175.900 -0.027 0.000 0.960 226 Y CA -0.313 57.781 58.100 -0.010 0.000 1.130 226 Y CB 1.381 39.863 38.460 0.037 0.000 1.164 226 Y HN 0.212 nan 8.280 nan 0.000 0.458 227 D N 2.026 122.537 120.400 0.186 0.000 2.193 227 D HA 0.386 5.017 4.640 -0.014 0.000 0.244 227 D C -0.593 175.924 176.300 0.362 0.000 1.064 227 D CA -0.223 53.926 54.000 0.248 0.000 0.845 227 D CB 1.690 42.675 40.800 0.308 0.000 1.148 227 D HN 0.368 nan 8.370 nan 0.000 0.464 228 T N 3.303 117.963 114.554 0.178 0.000 2.807 228 T HA 0.477 4.819 4.350 -0.014 0.000 0.279 228 T C -2.497 172.008 174.700 -0.324 0.000 0.993 228 T CA -1.519 60.581 62.100 -0.001 0.000 0.970 228 T CB 1.964 70.833 68.868 0.000 0.000 0.950 228 T HN 0.167 nan 8.240 nan 0.000 0.441 229 P HA 0.310 nan 4.420 nan 0.000 0.275 229 P C -1.017 175.939 177.300 -0.574 0.000 1.227 229 P CA -0.396 62.001 63.100 -1.171 0.000 0.781 229 P CB 0.785 31.656 31.700 -1.382 0.000 0.906 230 V N 5.211 124.850 119.914 -0.458 0.000 2.305 230 V HA 0.272 4.384 4.120 -0.014 0.000 0.275 230 V C -2.129 173.832 176.094 -0.222 0.000 1.020 230 V CA -1.904 60.228 62.300 -0.279 0.000 0.811 230 V CB 1.357 33.063 31.823 -0.195 0.000 1.031 230 V HN 0.537 nan 8.190 nan 0.000 0.439 231 P HA 0.305 nan 4.420 nan 0.000 0.285 231 P C 0.363 177.614 177.300 -0.083 0.000 1.259 231 P CA 0.224 63.237 63.100 -0.144 0.000 0.794 231 P CB 1.600 33.213 31.700 -0.145 0.000 0.940 232 G N 2.144 110.914 108.800 -0.051 0.000 2.572 232 G HA2 0.123 4.075 3.960 -0.014 0.000 0.261 232 G HA3 0.123 4.075 3.960 -0.014 0.000 0.261 232 G C -1.122 173.791 174.900 0.022 0.000 1.197 232 G CA -0.565 44.533 45.100 -0.003 0.000 0.870 232 G HN 0.515 nan 8.290 nan 0.000 0.548 233 Y N 0.672 120.935 120.300 -0.062 0.000 2.674 233 Y HA 0.243 4.784 4.550 -0.014 0.000 0.354 233 Y C 1.259 177.123 175.900 -0.060 0.000 1.089 233 Y CA -0.140 57.919 58.100 -0.068 0.000 1.444 233 Y CB 0.077 38.496 38.460 -0.069 0.000 1.187 233 Y HN 0.728 nan 8.280 nan 0.000 0.523 234 R N 2.588 122.809 120.500 -0.464 0.000 3.758 234 R HA -0.317 4.015 4.340 -0.014 0.000 0.299 234 R C 0.128 176.295 176.300 -0.222 0.000 1.182 234 R CA 1.484 57.321 56.100 -0.439 0.000 0.809 234 R CB -1.971 27.893 30.300 -0.726 0.000 1.249 234 R HN 0.944 nan 8.270 nan 0.000 0.497 235 N N -1.241 117.379 118.700 -0.133 0.000 2.184 235 N HA 0.050 4.781 4.740 -0.014 0.000 0.206 235 N C -0.176 175.289 175.510 -0.075 0.000 1.151 235 N CA -0.222 52.780 53.050 -0.080 0.000 0.878 235 N CB 0.471 38.936 38.487 -0.037 0.000 1.014 235 N HN 0.084 nan 8.380 nan 0.000 0.512 236 N N -0.126 118.525 118.700 -0.081 0.000 2.778 236 N HA -0.139 4.592 4.740 -0.014 0.000 0.249 236 N C -0.835 174.636 175.510 -0.065 0.000 1.069 236 N CA 0.568 53.578 53.050 -0.067 0.000 0.831 236 N CB -1.355 37.093 38.487 -0.066 0.000 1.142 236 N HN 0.191 nan 8.380 nan 0.000 0.573 237 V N 1.270 121.150 119.914 -0.057 0.000 2.461 237 V HA 0.338 4.449 4.120 -0.014 0.000 0.275 237 V C 0.606 176.676 176.094 -0.041 0.000 1.047 237 V CA -0.341 61.934 62.300 -0.042 0.000 0.955 237 V CB 1.894 33.718 31.823 0.001 0.000 0.988 237 V HN -0.015 nan 8.190 nan 0.000 0.471 238 V N 5.735 125.630 119.914 -0.030 0.000 2.419 238 V HA 0.438 4.550 4.120 -0.014 0.000 0.287 238 V C -0.050 176.042 176.094 -0.003 0.000 1.017 238 V CA -0.887 61.371 62.300 -0.069 0.000 0.844 238 V CB 1.486 33.253 31.823 -0.093 0.000 1.011 238 V HN 0.832 nan 8.190 nan 0.000 0.429 239 N N 1.944 120.610 118.700 -0.057 0.000 2.476 239 N HA 0.559 5.291 4.740 -0.014 0.000 0.287 239 N C -0.052 175.434 175.510 -0.039 0.000 1.262 239 N CA -0.304 52.732 53.050 -0.023 0.000 0.980 239 N CB 1.149 39.582 38.487 -0.090 0.000 1.163 239 N HN 0.583 nan 8.380 nan 0.000 0.592 240 T N 0.800 115.339 114.554 -0.024 0.000 2.824 240 T HA 0.387 4.729 4.350 -0.014 0.000 0.282 240 T C -0.250 174.417 174.700 -0.055 0.000 0.993 240 T CA -0.490 61.668 62.100 0.096 0.000 0.967 240 T CB 0.986 70.040 68.868 0.310 0.000 0.960 240 T HN 0.286 nan 8.240 nan 0.000 0.441 241 M N 3.883 123.411 119.600 -0.119 0.000 2.101 241 M HA 0.485 4.957 4.480 -0.014 0.000 0.340 241 M C -0.409 175.740 176.300 -0.250 0.000 1.057 241 M CA -0.731 54.415 55.300 -0.257 0.000 0.984 241 M CB 0.618 33.006 32.600 -0.354 0.000 1.560 241 M HN 0.470 nan 8.290 nan 0.000 0.435 242 R N 5.898 126.133 120.500 -0.443 0.000 2.265 242 R HA 0.614 4.945 4.340 -0.014 0.000 0.328 242 R C -1.925 174.059 176.300 -0.527 0.000 0.969 242 R CA -0.418 55.358 56.100 -0.539 0.000 0.832 242 R CB 0.853 30.639 30.300 -0.857 0.000 1.139 242 R HN 0.806 nan 8.270 nan 0.000 0.457 243 L N 5.215 126.243 121.223 -0.324 0.000 2.333 243 L HA 0.480 4.812 4.340 -0.014 0.000 0.280 243 L C -0.820 176.003 176.870 -0.080 0.000 1.004 243 L CA -0.903 53.848 54.840 -0.150 0.000 0.820 243 L CB 1.497 43.555 42.059 -0.001 0.000 1.247 243 L HN 0.596 nan 8.230 nan 0.000 0.416 244 W N 1.981 123.399 121.300 0.196 0.000 2.315 244 W HA 0.443 5.095 4.660 -0.014 0.000 0.316 244 W C 0.607 177.357 176.519 0.385 0.000 1.211 244 W CA -0.130 57.356 57.345 0.234 0.000 1.201 244 W CB 1.419 30.868 29.460 -0.018 0.000 1.184 244 W HN 0.348 nan 8.180 nan 0.000 0.544 245 S N 1.935 118.052 115.700 0.694 0.000 2.482 245 S HA 0.751 5.213 4.470 -0.014 0.000 0.303 245 S C -0.445 174.490 174.600 0.559 0.000 1.091 245 S CA -0.747 57.767 58.200 0.524 0.000 1.057 245 S CB 0.641 64.100 63.200 0.432 0.000 1.031 245 S HN 0.530 nan 8.310 nan 0.000 0.485 246 A N 5.042 128.020 122.820 0.264 0.000 2.409 246 A HA 0.610 4.922 4.320 -0.014 0.000 0.267 246 A C -0.146 177.488 177.584 0.082 0.000 1.127 246 A CA -0.195 51.876 52.037 0.057 0.000 0.795 246 A CB 0.254 19.017 19.000 -0.396 0.000 1.061 246 A HN 0.665 nan 8.150 nan 0.000 0.502 247 K N 1.268 121.729 120.400 0.101 0.000 2.378 247 K HA 0.603 4.915 4.320 -0.014 0.000 0.252 247 K C -0.415 176.162 176.600 -0.039 0.000 0.931 247 K CA -0.441 55.872 56.287 0.044 0.000 0.794 247 K CB 2.277 34.832 32.500 0.091 0.000 1.181 247 K HN 0.795 nan 8.250 nan 0.000 0.425 248 A N 4.232 126.986 122.820 -0.111 0.000 2.401 248 A HA 0.420 4.732 4.320 -0.014 0.000 0.259 248 A C -2.038 175.501 177.584 -0.075 0.000 1.103 248 A CA -1.039 50.857 52.037 -0.235 0.000 0.789 248 A CB -0.351 18.440 19.000 -0.349 0.000 1.035 248 A HN 0.351 nan 8.150 nan 0.000 0.491 249 P HA 0.074 nan 4.420 nan 0.000 0.270 249 P C 0.045 177.412 177.300 0.113 0.000 1.223 249 P CA -0.323 62.810 63.100 0.054 0.000 0.785 249 P CB 0.578 32.327 31.700 0.081 0.000 0.923 250 N N 0.864 119.621 118.700 0.095 0.000 2.459 250 N HA -0.105 4.627 4.740 -0.014 0.000 0.181 250 N C 0.625 176.206 175.510 0.118 0.000 1.046 250 N CA 0.983 54.093 53.050 0.100 0.000 0.904 250 N CB -0.405 38.125 38.487 0.072 0.000 0.964 250 N HN 0.541 nan 8.380 nan 0.000 0.444 251 D N -1.036 119.439 120.400 0.124 0.000 2.358 251 D HA -0.037 4.595 4.640 -0.014 0.000 0.224 251 D C 0.084 176.466 176.300 0.137 0.000 1.123 251 D CA -0.566 53.501 54.000 0.111 0.000 0.833 251 D CB -1.050 39.799 40.800 0.081 0.000 0.946 251 D HN 0.110 nan 8.370 nan 0.000 0.505 252 F N 1.709 121.674 119.950 0.026 0.000 2.578 252 F HA 0.065 4.584 4.527 -0.014 0.000 0.376 252 F C 0.750 176.557 175.800 0.012 0.000 1.085 252 F CA 0.192 58.204 58.000 0.020 0.000 1.260 252 F CB 0.290 39.302 39.000 0.020 0.000 1.095 252 F HN -0.164 nan 8.300 nan 0.000 0.573 253 N N 2.396 120.666 118.700 -0.718 0.000 2.809 253 N HA -0.282 4.449 4.740 -0.014 0.000 0.244 253 N C -0.831 174.561 175.510 -0.195 0.000 1.018 253 N CA 1.597 54.343 53.050 -0.507 0.000 0.917 253 N CB -1.143 37.036 38.487 -0.514 0.000 1.130 253 N HN 0.516 nan 8.380 nan 0.000 0.591 262 Y N 1.020 121.315 120.300 -0.008 0.000 2.128 262 Y HA -0.057 4.484 4.550 -0.014 0.000 0.284 262 Y C 2.687 178.589 175.900 0.003 0.000 1.154 262 Y CA 2.302 60.400 58.100 -0.003 0.000 1.149 262 Y CB -0.097 38.363 38.460 0.000 0.000 0.976 262 Y HN 0.225 nan 8.280 nan 0.000 0.505 263 I N 0.476 120.962 120.570 -0.139 0.000 2.163 263 I HA -0.315 3.847 4.170 -0.014 0.000 0.243 263 I C 2.361 178.369 176.117 -0.182 0.000 1.085 263 I CA 1.517 62.688 61.300 -0.215 0.000 1.347 263 I CB -1.381 36.597 38.000 -0.036 0.000 1.044 263 I HN 0.369 nan 8.210 nan 0.000 0.408 264 Q N 0.552 120.293 119.800 -0.098 0.000 2.096 264 Q HA -0.137 4.194 4.340 -0.014 0.000 0.204 264 Q C 2.415 178.363 176.000 -0.087 0.000 0.982 264 Q CA 1.890 57.651 55.803 -0.071 0.000 0.850 264 Q CB -0.504 28.209 28.738 -0.043 0.000 0.901 264 Q HN 0.549 nan 8.270 nan 0.000 0.422 265 A N 0.220 122.970 122.820 -0.116 0.000 1.917 265 A HA -0.175 4.137 4.320 -0.014 0.000 0.219 265 A C 2.422 179.950 177.584 -0.093 0.000 1.182 265 A CA 1.928 53.893 52.037 -0.120 0.000 0.633 265 A CB -0.737 18.197 19.000 -0.110 0.000 0.819 265 A HN 0.236 nan 8.150 nan 0.000 0.448 266 V N -0.003 119.798 119.914 -0.188 0.000 2.358 266 V HA -0.215 3.896 4.120 -0.014 0.000 0.246 266 V C 2.512 178.578 176.094 -0.046 0.000 1.047 266 V CA 1.787 64.000 62.300 -0.145 0.000 1.035 266 V CB -0.746 30.896 31.823 -0.302 0.000 0.658 266 V HN 0.565 nan 8.190 nan 0.000 0.452 267 L N -0.182 121.007 121.223 -0.057 0.000 2.141 267 L HA -0.137 4.195 4.340 -0.014 0.000 0.209 267 L C 2.002 178.893 176.870 0.034 0.000 1.094 267 L CA 1.239 56.071 54.840 -0.012 0.000 0.763 267 L CB -0.659 41.387 42.059 -0.022 0.000 0.908 267 L HN 0.328 nan 8.230 nan 0.000 0.437 268 D N -0.040 120.392 120.400 0.053 0.000 2.378 268 D HA -0.070 4.561 4.640 -0.014 0.000 0.227 268 D C 2.122 178.598 176.300 0.294 0.000 1.012 268 D CA 0.427 54.501 54.000 0.123 0.000 0.905 268 D CB 0.009 40.846 40.800 0.061 0.000 0.895 268 D HN 0.212 nan 8.370 nan 0.000 0.532 269 R N 0.465 121.119 120.500 0.257 0.000 2.152 269 R HA -0.067 4.265 4.340 -0.014 0.000 0.232 269 R C 1.606 177.926 176.300 0.033 0.000 1.117 269 R CA 0.656 56.872 56.100 0.193 0.000 0.981 269 R CB -0.072 30.297 30.300 0.114 0.000 0.870 269 R HN 0.162 nan 8.270 nan 0.000 0.451 270 N N 0.684 119.418 118.700 0.057 0.000 2.192 270 N HA -0.171 4.560 4.740 -0.014 0.000 0.188 270 N C 1.533 177.052 175.510 0.016 0.000 1.013 270 N CA 1.101 54.169 53.050 0.029 0.000 0.863 270 N CB -0.173 38.338 38.487 0.040 0.000 0.990 270 N HN 0.087 nan 8.380 nan 0.000 0.430 271 L N 1.147 122.401 121.223 0.051 0.000 2.012 271 L HA -0.093 4.239 4.340 -0.014 0.000 0.210 271 L C 2.455 179.301 176.870 -0.040 0.000 1.073 271 L CA 1.458 56.324 54.840 0.045 0.000 0.748 271 L CB -1.458 40.682 42.059 0.135 0.000 0.891 271 L HN 0.124 nan 8.230 nan 0.000 0.431 272 A N -0.844 121.885 122.820 -0.152 0.000 1.933 272 A HA -0.184 4.128 4.320 -0.014 0.000 0.218 272 A C 2.147 179.614 177.584 -0.196 0.000 1.175 272 A CA 1.496 53.379 52.037 -0.257 0.000 0.628 272 A CB -0.480 18.196 19.000 -0.539 0.000 0.814 272 A HN 0.542 nan 8.150 nan 0.000 0.444 273 E N -0.031 120.085 120.200 -0.141 0.000 2.427 273 E HA -0.068 4.274 4.350 -0.014 0.000 0.196 273 E C 1.051 177.621 176.600 -0.049 0.000 1.028 273 E CA 0.189 56.536 56.400 -0.088 0.000 0.864 273 E CB -0.119 29.557 29.700 -0.041 0.000 0.813 273 E HN 0.471 nan 8.360 nan 0.000 0.514 274 N N 1.061 119.738 118.700 -0.038 0.000 2.364 274 N HA -0.114 4.618 4.740 -0.014 0.000 0.183 274 N C 1.609 177.117 175.510 -0.003 0.000 1.022 274 N CA 0.688 53.742 53.050 0.005 0.000 0.883 274 N CB -0.065 38.430 38.487 0.014 0.000 0.965 274 N HN 0.263 nan 8.380 nan 0.000 0.438 275 I N 0.446 120.953 120.570 -0.105 0.000 2.194 275 I HA -0.264 3.897 4.170 -0.014 0.000 0.246 275 I C 1.446 177.529 176.117 -0.056 0.000 1.093 275 I CA 1.352 62.556 61.300 -0.160 0.000 1.355 275 I CB -0.236 37.494 38.000 -0.449 0.000 1.046 275 I HN 0.139 nan 8.210 nan 0.000 0.413 276 S N -0.466 115.197 115.700 -0.063 0.000 2.583 276 S HA 0.185 4.647 4.470 -0.014 0.000 0.239 276 S C 1.455 176.188 174.600 0.221 0.000 0.966 276 S CA -0.523 57.731 58.200 0.090 0.000 0.973 276 S CB 0.248 63.486 63.200 0.063 0.000 0.794 276 S HN 0.222 nan 8.310 nan 0.000 0.463 277 R N 1.227 121.860 120.500 0.222 0.000 2.075 277 R HA 0.288 4.620 4.340 -0.014 0.000 0.226 277 R C 0.355 176.897 176.300 0.403 0.000 1.114 277 R CA 1.038 57.307 56.100 0.281 0.000 0.972 277 R CB -0.199 30.234 30.300 0.222 0.000 0.869 277 R HN 0.386 nan 8.270 nan 0.000 0.437 278 V N 0.537 120.649 119.914 0.331 0.000 2.808 278 V HA 0.365 4.476 4.120 -0.014 0.000 0.308 278 V C -1.587 174.480 176.094 -0.045 0.000 1.099 278 V CA -1.378 61.037 62.300 0.192 0.000 0.920 278 V CB 1.789 33.648 31.823 0.061 0.000 1.014 278 V HN 0.163 nan 8.190 nan 0.000 0.425 279 L N 7.008 127.984 121.223 -0.412 0.000 2.360 279 L HA 0.468 4.800 4.340 -0.014 0.000 0.276 279 L C -0.840 175.870 176.870 -0.267 0.000 1.121 279 L CA 0.460 54.842 54.840 -0.764 0.000 0.845 279 L CB 0.434 41.971 42.059 -0.871 0.000 1.143 279 L HN 0.673 nan 8.230 nan 0.000 0.452 280 Y N 6.664 126.865 120.300 -0.164 0.000 2.544 280 Y HA 0.230 4.772 4.550 -0.014 0.000 0.330 280 Y C -1.688 174.202 175.900 -0.016 0.000 1.136 280 Y CA -1.219 56.862 58.100 -0.031 0.000 1.417 280 Y CB -0.144 38.326 38.460 0.017 0.000 1.229 280 Y HN 0.622 nan 8.280 nan 0.000 0.532 281 P HA 0.012 nan 4.420 nan 0.000 0.272 281 P C -0.114 177.314 177.300 0.214 0.000 1.240 281 P CA -0.381 62.838 63.100 0.199 0.000 0.791 281 P CB 0.684 32.568 31.700 0.306 0.000 0.978 286 F N 6.498 126.199 119.950 -0.416 0.000 2.471 286 F HA 0.398 4.917 4.527 -0.014 0.000 0.365 286 F C -0.074 175.544 175.800 -0.304 0.000 1.095 286 F CA 0.245 58.048 58.000 -0.327 0.000 1.174 286 F CB 0.454 39.228 39.000 -0.377 0.000 1.105 286 F HN 0.333 nan 8.300 nan 0.000 0.535 287 E N 4.843 124.581 120.200 -0.770 0.000 2.133 287 E HA 0.203 4.545 4.350 -0.014 0.000 0.274 287 E C 0.011 175.935 176.600 -1.128 0.000 0.930 287 E CA -0.505 55.488 56.400 -0.678 0.000 0.770 287 E CB 1.719 31.315 29.700 -0.173 0.000 1.104 287 E HN 0.871 nan 8.360 nan 0.000 0.403 288 G N 4.004 112.184 108.800 -1.033 0.000 3.213 288 G HA2 0.031 3.983 3.960 -0.014 0.000 0.263 288 G HA3 0.031 3.983 3.960 -0.014 0.000 0.263 288 G C 0.251 175.149 174.900 -0.003 0.000 0.829 288 G CA -0.298 44.388 45.100 -0.690 0.000 1.983 288 G HN 0.017 nan 8.290 nan 0.000 0.616 289 K N 0.605 121.035 120.400 0.050 0.000 2.143 289 K HA 0.173 4.485 4.320 -0.014 0.000 0.272 289 K C 1.007 177.734 176.600 0.210 0.000 1.001 289 K CA -0.631 55.742 56.287 0.143 0.000 0.915 289 K CB 2.230 34.808 32.500 0.129 0.000 1.047 289 K HN 0.485 nan 8.250 nan 0.000 0.458 290 E N 1.738 122.025 120.200 0.144 0.000 2.077 290 E HA -0.206 4.136 4.350 -0.014 0.000 0.193 290 E C 1.475 178.084 176.600 0.015 0.000 0.989 290 E CA 0.979 57.414 56.400 0.058 0.000 0.800 290 E CB 0.167 29.909 29.700 0.070 0.000 0.746 290 E HN 0.391 nan 8.360 nan 0.000 0.452 291 L N 1.269 122.546 121.223 0.090 0.000 2.131 291 L HA -0.143 4.188 4.340 -0.014 0.000 0.210 291 L C 2.360 179.301 176.870 0.118 0.000 1.092 291 L CA 1.493 56.403 54.840 0.115 0.000 0.759 291 L CB -0.471 41.726 42.059 0.229 0.000 0.903 291 L HN 0.012 nan 8.230 nan 0.000 0.435 292 R N -0.409 120.099 120.500 0.012 0.000 2.073 292 R HA -0.124 4.208 4.340 -0.014 0.000 0.234 292 R C 2.217 178.538 176.300 0.034 0.000 1.134 292 R CA 1.750 57.779 56.100 -0.119 0.000 0.952 292 R CB -1.237 28.853 30.300 -0.349 0.000 0.850 292 R HN 0.426 nan 8.270 nan 0.000 0.433 293 L N 1.534 122.683 121.223 -0.123 0.000 2.042 293 L HA -0.149 4.183 4.340 -0.014 0.000 0.210 293 L C 1.945 178.751 176.870 -0.107 0.000 1.076 293 L CA 1.938 56.511 54.840 -0.444 0.000 0.749 293 L CB -0.430 41.065 42.059 -0.940 0.000 0.893 293 L HN 0.062 nan 8.230 nan 0.000 0.432 294 K N -1.012 119.367 120.400 -0.036 0.000 2.103 294 K HA -0.209 4.102 4.320 -0.014 0.000 0.207 294 K C 2.107 178.862 176.600 0.258 0.000 1.048 294 K CA 1.839 58.179 56.287 0.087 0.000 0.930 294 K CB -0.183 32.182 32.500 -0.225 0.000 0.716 294 K HN 0.530 nan 8.250 nan 0.000 0.444 295 Q N 0.559 120.476 119.800 0.196 0.000 2.050 295 Q HA -0.179 4.153 4.340 -0.014 0.000 0.202 295 Q C 1.985 178.177 176.000 0.321 0.000 0.980 295 Q CA 1.396 57.374 55.803 0.291 0.000 0.840 295 Q CB -0.011 28.916 28.738 0.315 0.000 0.898 295 Q HN 0.373 nan 8.270 nan 0.000 0.424 296 E N -0.102 120.240 120.200 0.237 0.000 2.058 296 E HA -0.230 4.112 4.350 -0.014 0.000 0.194 296 E C 1.775 178.491 176.600 0.192 0.000 0.997 296 E CA 1.213 57.739 56.400 0.209 0.000 0.801 296 E CB -0.173 29.632 29.700 0.174 0.000 0.746 296 E HN 0.320 nan 8.360 nan 0.000 0.450 297 Y N 0.373 120.718 120.300 0.074 0.000 2.200 297 Y HA -0.214 4.328 4.550 -0.014 0.000 0.290 297 Y C 1.986 177.919 175.900 0.056 0.000 1.137 297 Y CA 1.101 59.203 58.100 0.004 0.000 1.163 297 Y CB -0.408 38.015 38.460 -0.062 0.000 0.988 297 Y HN 0.025 nan 8.280 nan 0.000 0.518 298 F N -0.293 119.636 119.950 -0.034 0.000 2.065 298 F HA -0.259 4.260 4.527 -0.014 0.000 0.298 298 F C 2.491 178.135 175.800 -0.260 0.000 1.112 298 F CA 2.046 59.975 58.000 -0.118 0.000 1.212 298 F CB -1.079 38.005 39.000 0.141 0.000 0.975 298 F HN -0.051 nan 8.300 nan 0.000 0.476 299 V N -0.489 119.366 119.914 -0.098 0.000 2.358 299 V HA -0.202 3.909 4.120 -0.014 0.000 0.246 299 V C 2.205 178.152 176.094 -0.245 0.000 1.047 299 V CA 1.973 64.198 62.300 -0.125 0.000 1.035 299 V CB -0.409 31.541 31.823 0.212 0.000 0.658 299 V HN 0.262 nan 8.190 nan 0.000 0.452 300 V N 0.412 120.189 119.914 -0.229 0.000 2.307 300 V HA -0.177 3.935 4.120 -0.014 0.000 0.245 300 V C 2.806 178.651 176.094 -0.415 0.000 1.045 300 V CA 2.174 64.330 62.300 -0.241 0.000 1.024 300 V CB -1.028 30.719 31.823 -0.126 0.000 0.651 300 V HN 0.654 nan 8.190 nan 0.000 0.449 301 A N -0.220 122.181 122.820 -0.698 0.000 1.873 301 A HA -0.083 4.229 4.320 -0.014 0.000 0.215 301 A C 2.403 179.619 177.584 -0.614 0.000 1.186 301 A CA 2.051 53.669 52.037 -0.698 0.000 0.616 301 A CB -0.837 17.519 19.000 -1.073 0.000 0.823 301 A HN 0.559 nan 8.150 nan 0.000 0.442 302 A N -1.025 121.265 122.820 -0.884 0.000 1.902 302 A HA -0.070 4.241 4.320 -0.014 0.000 0.217 302 A C 2.312 179.413 177.584 -0.804 0.000 1.181 302 A CA 2.299 53.638 52.037 -1.162 0.000 0.623 302 A CB -1.319 16.318 19.000 -2.273 0.000 0.818 302 A HN 0.427 nan 8.150 nan 0.000 0.443 303 T N 0.509 114.722 114.554 -0.568 0.000 2.684 303 T HA -0.119 4.223 4.350 -0.014 0.000 0.267 303 T C 1.823 176.257 174.700 -0.444 0.000 1.036 303 T CA 1.531 63.414 62.100 -0.361 0.000 1.148 303 T CB -0.400 68.256 68.868 -0.353 0.000 0.863 303 T HN 0.346 nan 8.240 nan 0.000 0.436 304 L N 0.664 121.671 121.223 -0.359 0.000 2.083 304 L HA -0.154 4.178 4.340 -0.014 0.000 0.209 304 L C 2.933 179.683 176.870 -0.200 0.000 1.083 304 L CA 1.348 56.026 54.840 -0.270 0.000 0.752 304 L CB -0.531 41.413 42.059 -0.191 0.000 0.899 304 L HN 0.356 nan 8.230 nan 0.000 0.433 305 Q N -0.445 119.237 119.800 -0.197 0.000 2.096 305 Q HA -0.264 4.068 4.340 -0.014 0.000 0.204 305 Q C 1.789 177.749 176.000 -0.068 0.000 0.982 305 Q CA 1.870 57.604 55.803 -0.114 0.000 0.850 305 Q CB -0.129 28.529 28.738 -0.134 0.000 0.901 305 Q HN 0.414 nan 8.270 nan 0.000 0.422 306 D N 0.393 120.745 120.400 -0.080 0.000 2.117 306 D HA -0.102 4.530 4.640 -0.014 0.000 0.197 306 D C 1.697 177.924 176.300 -0.122 0.000 0.987 306 D CA 0.847 54.838 54.000 -0.014 0.000 0.829 306 D CB -0.058 40.830 40.800 0.146 0.000 0.961 306 D HN 0.158 nan 8.370 nan 0.000 0.460 307 I N 0.184 120.565 120.570 -0.315 0.000 2.163 307 I HA -0.263 3.899 4.170 -0.014 0.000 0.243 307 I C 2.313 178.418 176.117 -0.019 0.000 1.085 307 I CA 0.839 61.888 61.300 -0.419 0.000 1.347 307 I CB -0.151 37.456 38.000 -0.656 0.000 1.044 307 I HN 0.051 nan 8.210 nan 0.000 0.408 308 I N 0.106 120.723 120.570 0.079 0.000 2.202 308 I HA -0.283 3.878 4.170 -0.014 0.000 0.242 308 I C 2.781 179.044 176.117 0.244 0.000 1.091 308 I CA 1.078 62.540 61.300 0.271 0.000 1.368 308 I CB -0.403 37.715 38.000 0.198 0.000 1.058 308 I HN 0.184 nan 8.210 nan 0.000 0.410 309 R N 1.136 121.708 120.500 0.120 0.000 2.113 309 R HA -0.252 4.080 4.340 -0.014 0.000 0.244 309 R C 2.456 178.808 176.300 0.087 0.000 1.142 309 R CA 1.935 58.088 56.100 0.087 0.000 0.953 309 R CB -0.265 30.059 30.300 0.041 0.000 0.860 309 R HN 0.227 nan 8.270 nan 0.000 0.438 310 R N -0.827 119.726 120.500 0.088 0.000 2.115 310 R HA -0.120 4.212 4.340 -0.014 0.000 0.226 310 R C 2.134 178.518 176.300 0.140 0.000 1.100 310 R CA 1.345 57.500 56.100 0.092 0.000 0.980 310 R CB -0.252 30.097 30.300 0.083 0.000 0.875 310 R HN 0.281 nan 8.270 nan 0.000 0.445 311 F N 1.447 121.425 119.950 0.047 0.000 2.186 311 F HA -0.082 4.436 4.527 -0.014 0.000 0.299 311 F C 1.513 177.317 175.800 0.007 0.000 1.090 311 F CA 1.398 59.419 58.000 0.036 0.000 1.307 311 F CB 0.136 39.206 39.000 0.117 0.000 1.019 311 F HN -0.177 nan 8.300 nan 0.000 0.489 312 K N -0.354 120.014 120.400 -0.054 0.000 2.365 312 K HA -0.003 4.309 4.320 -0.014 0.000 0.199 312 K C 1.697 178.203 176.600 -0.158 0.000 1.045 312 K CA 1.043 57.222 56.287 -0.180 0.000 0.962 312 K CB -0.146 32.357 32.500 0.004 0.000 0.759 312 K HN 0.158 nan 8.250 nan 0.000 0.469 313 S N 0.741 116.395 115.700 -0.076 0.000 2.593 313 S HA 0.004 4.465 4.470 -0.014 0.000 0.217 313 S C 0.728 175.311 174.600 -0.028 0.000 0.966 313 S CA -0.204 57.992 58.200 -0.007 0.000 0.914 313 S CB 0.211 63.455 63.200 0.074 0.000 0.776 313 S HN 0.258 nan 8.310 nan 0.000 0.523 325 N N 1.633 120.325 118.700 -0.013 0.000 2.462 325 N HA 0.424 5.156 4.740 -0.014 0.000 0.242 325 N C 0.292 175.884 175.510 0.138 0.000 1.010 325 N CA -0.592 52.514 53.050 0.093 0.000 0.939 325 N CB 0.351 38.886 38.487 0.081 0.000 1.127 325 N HN 0.470 nan 8.380 nan 0.000 0.509 326 F N 0.917 120.977 119.950 0.183 0.000 2.802 326 F HA 0.005 4.524 4.527 -0.014 0.000 0.300 326 F C 1.695 177.554 175.800 0.098 0.000 1.168 326 F CA 0.118 58.188 58.000 0.117 0.000 1.433 326 F CB 0.198 39.139 39.000 -0.099 0.000 1.115 326 F HN 0.551 nan 8.300 nan 0.000 0.582 327 D N 0.447 120.987 120.400 0.232 0.000 2.182 327 D HA -0.165 4.467 4.640 -0.014 0.000 0.201 327 D C 2.232 178.623 176.300 0.153 0.000 0.986 327 D CA 1.363 55.456 54.000 0.156 0.000 0.847 327 D CB -0.043 40.826 40.800 0.114 0.000 0.942 327 D HN 0.318 nan 8.370 nan 0.000 0.467 328 A N -0.239 122.700 122.820 0.198 0.000 2.218 328 A HA 0.020 4.332 4.320 -0.014 0.000 0.209 328 A C 1.749 179.459 177.584 0.209 0.000 1.168 328 A CA -0.202 51.952 52.037 0.195 0.000 0.804 328 A CB -0.663 18.461 19.000 0.207 0.000 0.834 328 A HN 0.139 nan 8.150 nan 0.000 0.482 329 F N 1.854 121.770 119.950 -0.057 0.000 2.063 329 F HA -0.164 4.355 4.527 -0.014 0.000 0.298 329 F C -0.762 174.944 175.800 -0.156 0.000 1.109 329 F CA 2.617 60.382 58.000 -0.392 0.000 1.212 329 F CB -0.577 38.170 39.000 -0.421 0.000 0.973 329 F HN 0.205 nan 8.300 nan 0.000 0.480 330 P HA -0.085 nan 4.420 nan 0.000 0.230 330 P C 0.620 177.884 177.300 -0.059 0.000 1.158 330 P CA 1.334 64.408 63.100 -0.044 0.000 0.769 330 P CB -0.070 31.629 31.700 -0.001 0.000 0.807 331 D N -0.802 119.584 120.400 -0.024 0.000 2.323 331 D HA -0.023 4.608 4.640 -0.014 0.000 0.209 331 D C 1.498 177.788 176.300 -0.015 0.000 0.973 331 D CA 0.904 54.901 54.000 -0.004 0.000 0.874 331 D CB 0.118 40.936 40.800 0.030 0.000 0.930 331 D HN 0.132 nan 8.370 nan 0.000 0.521 332 K N -0.053 120.316 120.400 -0.052 0.000 2.402 332 K HA 0.220 4.531 4.320 -0.014 0.000 0.203 332 K C -0.198 176.328 176.600 -0.124 0.000 1.077 332 K CA 0.059 56.326 56.287 -0.034 0.000 1.051 332 K CB 2.434 35.009 32.500 0.125 0.000 0.907 332 K HN -0.076 nan 8.250 nan 0.000 0.554 333 V N 1.142 120.901 119.914 -0.259 0.000 2.623 333 V HA 0.571 4.683 4.120 -0.014 0.000 0.304 333 V C -1.079 174.932 176.094 -0.138 0.000 1.054 333 V CA -1.260 60.880 62.300 -0.266 0.000 0.882 333 V CB 1.760 33.113 31.823 -0.784 0.000 1.002 333 V HN 0.117 nan 8.190 nan 0.000 0.424 334 A N 5.941 128.730 122.820 -0.051 0.000 2.331 334 A HA 0.938 5.250 4.320 -0.014 0.000 0.320 334 A C -0.905 176.701 177.584 0.036 0.000 1.138 334 A CA -0.495 51.540 52.037 -0.002 0.000 0.790 334 A CB 0.934 19.883 19.000 -0.085 0.000 1.206 334 A HN 0.777 nan 8.150 nan 0.000 0.470 335 I N 1.749 122.384 120.570 0.108 0.000 2.382 335 I HA 0.300 4.461 4.170 -0.014 0.000 0.286 335 I C -0.299 175.908 176.117 0.151 0.000 1.002 335 I CA -0.508 60.867 61.300 0.126 0.000 1.135 335 I CB 1.954 40.010 38.000 0.095 0.000 1.288 335 I HN 0.681 nan 8.210 nan 0.000 0.448 336 Q N 6.867 126.755 119.800 0.148 0.000 2.340 336 Q HA 0.482 4.813 4.340 -0.014 0.000 0.259 336 Q C -1.278 174.743 176.000 0.035 0.000 0.964 336 Q CA -0.266 55.659 55.803 0.205 0.000 0.900 336 Q CB 1.179 30.147 28.738 0.383 0.000 1.228 336 Q HN 0.574 nan 8.270 nan 0.000 0.449 337 L N 3.807 125.083 121.223 0.088 0.000 2.295 337 L HA 0.360 4.692 4.340 -0.014 0.000 0.288 337 L C 0.090 177.000 176.870 0.067 0.000 1.079 337 L CA -0.669 54.211 54.840 0.065 0.000 0.830 337 L CB 0.342 42.474 42.059 0.122 0.000 1.200 337 L HN 0.550 nan 8.230 nan 0.000 0.438 338 N N 4.303 122.951 118.700 -0.086 0.000 2.402 338 N HA 0.051 4.783 4.740 -0.014 0.000 0.259 338 N C -0.103 175.415 175.510 0.013 0.000 1.167 338 N CA 0.540 53.575 53.050 -0.025 0.000 0.949 338 N CB -0.007 38.343 38.487 -0.228 0.000 1.212 338 N HN 0.598 nan 8.380 nan 0.000 0.493 339 D N 0.002 120.517 120.400 0.191 0.000 4.658 339 D HA -0.224 4.408 4.640 -0.014 0.000 0.304 339 D C 0.361 176.728 176.300 0.111 0.000 2.363 339 D CA 1.532 55.604 54.000 0.120 0.000 1.179 339 D CB -0.497 40.075 40.800 -0.379 0.000 1.091 339 D HN 0.518 nan 8.370 nan 0.000 1.274 340 T N -2.514 112.022 114.554 -0.030 0.000 3.129 340 T HA 0.087 4.428 4.350 -0.014 0.000 0.251 340 T C 1.643 176.377 174.700 0.057 0.000 1.117 340 T CA 1.516 63.594 62.100 -0.037 0.000 1.034 340 T CB -0.493 68.325 68.868 -0.084 0.000 0.968 340 T HN 0.513 nan 8.240 nan 0.000 0.526 341 H N 2.674 121.812 119.070 0.112 0.000 2.353 341 H HA -0.008 4.539 4.556 -0.014 0.000 0.298 341 H C -0.881 174.525 175.328 0.130 0.000 1.103 341 H CA 1.065 57.197 56.048 0.139 0.000 1.293 341 H CB -0.944 28.900 29.762 0.137 0.000 1.372 341 H HN 0.439 nan 8.280 nan 0.000 0.501 342 P HA 0.081 nan 4.420 nan 0.000 0.254 342 P C 0.698 178.039 177.300 0.070 0.000 1.620 342 P CA 0.327 63.503 63.100 0.127 0.000 1.050 342 P CB 0.321 32.084 31.700 0.104 0.000 1.539 343 S N -0.287 115.446 115.700 0.055 0.000 2.442 343 S HA -0.121 4.340 4.470 -0.014 0.000 0.236 343 S C 1.723 176.327 174.600 0.005 0.000 1.007 343 S CA 0.768 58.961 58.200 -0.011 0.000 0.965 343 S CB -1.443 61.723 63.200 -0.056 0.000 0.773 343 S HN 0.155 nan 8.310 nan 0.000 0.504 344 L N 1.012 122.256 121.223 0.036 0.000 2.456 344 L HA 0.035 4.367 4.340 -0.014 0.000 0.224 344 L C 2.943 179.854 176.870 0.068 0.000 1.148 344 L CA 0.591 55.457 54.840 0.042 0.000 0.825 344 L CB -0.783 41.301 42.059 0.042 0.000 0.937 344 L HN 0.467 nan 8.230 nan 0.000 0.450 345 A N 0.701 123.542 122.820 0.035 0.000 1.948 345 A HA -0.222 4.090 4.320 -0.014 0.000 0.220 345 A C 2.181 179.769 177.584 0.006 0.000 1.177 345 A CA 1.662 53.706 52.037 0.010 0.000 0.636 345 A CB -0.498 18.499 19.000 -0.006 0.000 0.815 345 A HN 0.372 nan 8.150 nan 0.000 0.449 346 I N 0.226 120.799 120.570 0.006 0.000 2.113 346 I HA -0.147 4.015 4.170 -0.014 0.000 0.238 346 I C -0.354 175.782 176.117 0.032 0.000 1.070 346 I CA 1.644 62.945 61.300 0.001 0.000 1.332 346 I CB -0.923 37.078 38.000 0.002 0.000 1.044 346 I HN 0.256 nan 8.210 nan 0.000 0.402 347 P HA -0.154 nan 4.420 nan 0.000 0.225 347 P C 1.264 178.587 177.300 0.038 0.000 1.156 347 P CA 1.402 64.535 63.100 0.056 0.000 0.787 347 P CB 0.055 31.807 31.700 0.086 0.000 0.802 348 E N 0.362 120.655 120.200 0.154 0.000 2.072 348 E HA -0.157 4.185 4.350 -0.014 0.000 0.191 348 E C 1.924 178.515 176.600 -0.014 0.000 0.985 348 E CA 0.742 57.248 56.400 0.177 0.000 0.801 348 E CB -1.218 28.641 29.700 0.264 0.000 0.750 348 E HN 0.004 nan 8.360 nan 0.000 0.452 349 L N -0.053 121.132 121.223 -0.063 0.000 2.046 349 L HA -0.119 4.212 4.340 -0.014 0.000 0.208 349 L C 2.111 178.845 176.870 -0.227 0.000 1.077 349 L CA 1.766 56.510 54.840 -0.160 0.000 0.747 349 L CB -0.597 41.371 42.059 -0.153 0.000 0.896 349 L HN 0.231 nan 8.230 nan 0.000 0.432 350 M N -0.705 118.775 119.600 -0.199 0.000 2.082 350 M HA -0.253 4.218 4.480 -0.014 0.000 0.258 350 M C 2.442 178.580 176.300 -0.270 0.000 1.069 350 M CA 1.690 56.821 55.300 -0.282 0.000 1.102 350 M CB -1.325 31.098 32.600 -0.296 0.000 1.336 350 M HN 0.337 nan 8.290 nan 0.000 0.404 351 R N -0.002 120.363 120.500 -0.226 0.000 2.080 351 R HA -0.144 4.187 4.340 -0.014 0.000 0.236 351 R C 2.103 178.296 176.300 -0.179 0.000 1.137 351 R CA 1.840 57.806 56.100 -0.224 0.000 0.943 351 R CB -0.247 29.863 30.300 -0.318 0.000 0.846 351 R HN 0.224 nan 8.270 nan 0.000 0.431 352 V N 1.476 121.285 119.914 -0.175 0.000 2.295 352 V HA -0.261 3.850 4.120 -0.014 0.000 0.246 352 V C 2.412 178.340 176.094 -0.277 0.000 1.049 352 V CA 1.807 63.995 62.300 -0.185 0.000 1.024 352 V CB -0.411 31.304 31.823 -0.181 0.000 0.648 352 V HN 0.349 nan 8.190 nan 0.000 0.447 353 L N -0.700 120.298 121.223 -0.375 0.000 2.056 353 L HA -0.127 4.205 4.340 -0.014 0.000 0.207 353 L C 2.377 179.059 176.870 -0.313 0.000 1.078 353 L CA 1.090 55.643 54.840 -0.479 0.000 0.749 353 L CB -0.631 41.103 42.059 -0.542 0.000 0.901 353 L HN 0.204 nan 8.230 nan 0.000 0.433 354 V N -0.567 119.208 119.914 -0.232 0.000 2.331 354 V HA -0.169 3.943 4.120 -0.014 0.000 0.242 354 V C 1.937 177.984 176.094 -0.078 0.000 1.034 354 V CA 1.656 63.880 62.300 -0.126 0.000 1.027 354 V CB -0.333 31.447 31.823 -0.072 0.000 0.667 354 V HN 0.337 nan 8.190 nan 0.000 0.457 355 D N -0.062 120.288 120.400 -0.084 0.000 2.194 355 D HA -0.002 4.629 4.640 -0.014 0.000 0.204 355 D C 1.974 178.244 176.300 -0.051 0.000 0.964 355 D CA 1.144 55.112 54.000 -0.053 0.000 0.846 355 D CB 0.111 40.877 40.800 -0.055 0.000 0.962 355 D HN 0.341 nan 8.370 nan 0.000 0.490 356 L N 0.010 121.186 121.223 -0.078 0.000 2.445 356 L HA 0.149 4.481 4.340 -0.014 0.000 0.207 356 L C 1.769 178.602 176.870 -0.062 0.000 1.053 356 L CA 0.382 55.187 54.840 -0.060 0.000 0.841 356 L CB 0.104 42.130 42.059 -0.056 0.000 1.074 356 L HN -0.202 nan 8.230 nan 0.000 0.479 357 E N 0.461 120.587 120.200 -0.124 0.000 2.447 357 E HA 0.040 4.382 4.350 -0.014 0.000 0.195 357 E C 0.072 176.626 176.600 -0.078 0.000 1.028 357 E CA -0.051 56.280 56.400 -0.116 0.000 0.876 357 E CB 0.334 29.838 29.700 -0.327 0.000 0.885 357 E HN 0.190 nan 8.360 nan 0.000 0.500 358 R N -0.121 120.332 120.500 -0.078 0.000 3.651 358 R HA -0.191 4.141 4.340 -0.014 0.000 0.292 358 R C -0.281 175.999 176.300 -0.033 0.000 1.161 358 R CA 0.251 56.329 56.100 -0.036 0.000 0.787 358 R CB -2.910 27.387 30.300 -0.004 0.000 1.249 358 R HN 0.091 nan 8.270 nan 0.000 0.476 359 L N 1.571 122.744 121.223 -0.084 0.000 2.452 359 L HA 0.093 4.424 4.340 -0.014 0.000 0.267 359 L C 1.256 178.113 176.870 -0.022 0.000 1.188 359 L CA 0.327 55.128 54.840 -0.066 0.000 0.821 359 L CB 0.424 42.393 42.059 -0.150 0.000 1.102 359 L HN 0.198 nan 8.230 nan 0.000 0.470 360 D N 0.406 120.819 120.400 0.021 0.000 2.362 360 D HA -0.104 4.528 4.640 -0.014 0.000 0.242 360 D C 0.958 177.321 176.300 0.105 0.000 1.132 360 D CA -0.401 53.647 54.000 0.079 0.000 0.907 360 D CB 0.453 41.305 40.800 0.088 0.000 1.195 360 D HN 0.540 nan 8.370 nan 0.000 0.429 361 W N 2.107 123.409 121.300 0.004 0.000 2.318 361 W HA -0.240 4.412 4.660 -0.014 0.000 0.313 361 W C 0.783 177.346 176.519 0.073 0.000 1.221 361 W CA 1.860 59.213 57.345 0.014 0.000 1.266 361 W CB -0.225 29.224 29.460 -0.018 0.000 1.150 361 W HN 0.548 nan 8.180 nan 0.000 0.496 362 D N 0.002 120.585 120.400 0.306 0.000 2.149 362 D HA -0.165 4.466 4.640 -0.014 0.000 0.201 362 D C 2.078 178.477 176.300 0.166 0.000 0.972 362 D CA 1.021 55.188 54.000 0.279 0.000 0.835 362 D CB -0.191 40.755 40.800 0.244 0.000 0.966 362 D HN 0.050 nan 8.370 nan 0.000 0.476 363 K N 1.451 121.906 120.400 0.092 0.000 2.025 363 K HA -0.021 4.290 4.320 -0.014 0.000 0.207 363 K C 2.007 178.594 176.600 -0.021 0.000 1.049 363 K CA 0.908 57.221 56.287 0.044 0.000 0.933 363 K CB -0.435 32.086 32.500 0.035 0.000 0.714 363 K HN -0.006 nan 8.250 nan 0.000 0.438 364 A N 0.930 123.695 122.820 -0.093 0.000 1.908 364 A HA -0.206 4.106 4.320 -0.014 0.000 0.218 364 A C 2.192 179.674 177.584 -0.171 0.000 1.181 364 A CA 1.512 53.425 52.037 -0.206 0.000 0.627 364 A CB -1.107 17.705 19.000 -0.312 0.000 0.818 364 A HN 0.668 nan 8.150 nan 0.000 0.445 365 W N 0.589 121.673 121.300 -0.361 0.000 2.358 365 W HA -0.155 4.497 4.660 -0.014 0.000 0.303 365 W C 1.985 178.442 176.519 -0.104 0.000 1.208 365 W CA 1.795 58.977 57.345 -0.273 0.000 1.274 365 W CB -0.129 29.197 29.460 -0.224 0.000 1.138 365 W HN 0.604 nan 8.180 nan 0.000 0.515 366 E N 0.135 120.318 120.200 -0.029 0.000 2.058 366 E HA -0.222 4.120 4.350 -0.014 0.000 0.194 366 E C 2.058 178.580 176.600 -0.130 0.000 0.997 366 E CA 1.867 58.218 56.400 -0.081 0.000 0.801 366 E CB -0.280 29.433 29.700 0.022 0.000 0.746 366 E HN 0.063 nan 8.360 nan 0.000 0.450 367 V N 0.733 120.586 119.914 -0.101 0.000 2.295 367 V HA -0.265 3.847 4.120 -0.014 0.000 0.246 367 V C 2.407 178.436 176.094 -0.109 0.000 1.049 367 V CA 2.199 64.458 62.300 -0.068 0.000 1.024 367 V CB -0.788 30.991 31.823 -0.074 0.000 0.648 367 V HN 0.373 nan 8.190 nan 0.000 0.447 368 T N 0.031 114.447 114.554 -0.230 0.000 2.652 368 T HA -0.184 4.158 4.350 -0.014 0.000 0.267 368 T C 1.944 176.460 174.700 -0.306 0.000 1.039 368 T CA 1.810 63.747 62.100 -0.273 0.000 1.153 368 T CB -0.297 68.355 68.868 -0.359 0.000 0.863 368 T HN 0.277 nan 8.240 nan 0.000 0.428 369 V N 1.332 120.946 119.914 -0.499 0.000 2.343 369 V HA -0.172 3.940 4.120 -0.014 0.000 0.247 369 V C 2.413 178.465 176.094 -0.070 0.000 1.051 369 V CA 1.631 63.700 62.300 -0.385 0.000 1.036 369 V CB -0.492 31.025 31.823 -0.510 0.000 0.654 369 V HN 0.451 nan 8.190 nan 0.000 0.451 370 K N -0.097 120.245 120.400 -0.098 0.000 2.211 370 K HA -0.149 4.163 4.320 -0.014 0.000 0.203 370 K C 2.252 178.832 176.600 -0.033 0.000 1.050 370 K CA 1.740 57.958 56.287 -0.116 0.000 0.945 370 K CB -0.283 32.148 32.500 -0.116 0.000 0.732 370 K HN 0.658 nan 8.250 nan 0.000 0.451 371 T N -1.498 113.088 114.554 0.054 0.000 3.035 371 T HA 0.031 4.373 4.350 -0.014 0.000 0.259 371 T C 0.835 175.643 174.700 0.180 0.000 1.078 371 T CA -0.024 62.142 62.100 0.111 0.000 1.132 371 T CB -0.083 68.869 68.868 0.140 0.000 0.900 371 T HN 0.046 nan 8.240 nan 0.000 0.480 372 C N 2.575 121.966 119.300 0.152 0.000 2.401 372 C HA 0.909 5.361 4.460 -0.014 0.000 0.365 372 C C 0.625 175.674 174.990 0.098 0.000 1.250 372 C CA -0.794 58.292 59.018 0.114 0.000 2.131 372 C CB 0.173 27.919 27.740 0.009 0.000 2.445 372 C HN 0.760 nan 8.230 nan 0.000 0.550 373 A N 2.292 125.165 122.820 0.089 0.000 2.475 373 A HA 0.762 5.074 4.320 -0.014 0.000 0.301 373 A C -1.573 176.087 177.584 0.127 0.000 1.059 373 A CA -0.427 51.612 52.037 0.003 0.000 0.710 373 A CB 1.042 20.043 19.000 0.001 0.000 1.288 373 A HN 0.930 nan 8.150 nan 0.000 0.408 374 Y N 1.057 121.308 120.300 -0.081 0.000 2.376 374 Y HA 0.621 5.163 4.550 -0.014 0.000 0.340 374 Y C -0.512 175.370 175.900 -0.031 0.000 0.965 374 Y CA -0.346 57.716 58.100 -0.063 0.000 1.078 374 Y CB 2.032 40.406 38.460 -0.144 0.000 1.193 374 Y HN 0.566 nan 8.280 nan 0.000 0.452 375 T N 6.493 120.853 114.554 -0.323 0.000 2.756 375 T HA 0.164 4.505 4.350 -0.014 0.000 0.290 375 T C -0.658 173.595 174.700 -0.746 0.000 0.985 375 T CA -0.758 61.080 62.100 -0.437 0.000 0.955 375 T CB 0.317 69.158 68.868 -0.044 0.000 0.930 375 T HN 0.617 nan 8.240 nan 0.000 0.451 376 N N 1.830 120.055 118.700 -0.792 0.000 2.499 376 N HA 0.097 4.829 4.740 -0.014 0.000 0.281 376 N C 0.174 175.576 175.510 -0.179 0.000 1.098 376 N CA -0.185 52.639 53.050 -0.375 0.000 0.979 376 N CB 0.679 39.109 38.487 -0.095 0.000 1.121 376 N HN 0.662 nan 8.380 nan 0.000 0.466 377 H N 0.961 120.046 119.070 0.025 0.000 2.893 377 H HA 0.163 4.710 4.556 -0.014 0.000 0.270 377 H C -0.143 175.104 175.328 -0.135 0.000 1.095 377 H CA 0.050 56.066 56.048 -0.054 0.000 1.186 377 H CB 1.227 30.962 29.762 -0.044 0.000 1.562 377 H HN 0.497 nan 8.280 nan 0.000 0.536 378 T N 0.008 114.593 114.554 0.050 0.000 2.769 378 T HA 0.261 4.602 4.350 -0.014 0.000 0.306 378 T C 0.420 175.161 174.700 0.068 0.000 1.400 378 T CA -0.233 61.849 62.100 -0.031 0.000 1.007 378 T CB 1.393 70.232 68.868 -0.049 0.000 1.392 378 T HN -0.045 nan 8.240 nan 0.000 0.500 379 V N 0.746 120.650 119.914 -0.017 0.000 3.556 379 V HA 0.560 4.671 4.120 -0.014 0.000 0.287 379 V C 0.621 176.672 176.094 -0.070 0.000 1.422 379 V CA -0.022 62.259 62.300 -0.033 0.000 1.038 379 V CB -0.282 31.528 31.823 -0.022 0.000 0.850 379 V HN 0.668 nan 8.190 nan 0.000 0.437 380 L N 3.371 124.538 121.223 -0.094 0.000 2.500 380 L HA 0.210 4.542 4.340 -0.014 0.000 0.272 380 L C -0.649 176.205 176.870 -0.028 0.000 1.149 380 L CA -0.907 53.897 54.840 -0.059 0.000 0.897 380 L CB 0.955 42.961 42.059 -0.088 0.000 1.178 380 L HN 0.167 nan 8.230 nan 0.000 0.473 381 P HA -0.203 nan 4.420 nan 0.000 0.216 381 P C 0.964 178.236 177.300 -0.046 0.000 1.150 381 P CA 1.183 64.262 63.100 -0.034 0.000 0.837 381 P CB 0.070 31.757 31.700 -0.022 0.000 0.786 382 E N 0.299 120.488 120.200 -0.018 0.000 2.478 382 E HA -0.038 4.304 4.350 -0.014 0.000 0.198 382 E C 1.576 178.132 176.600 -0.074 0.000 1.046 382 E CA 0.954 57.305 56.400 -0.082 0.000 0.870 382 E CB -0.728 28.973 29.700 0.001 0.000 0.818 382 E HN 0.204 nan 8.360 nan 0.000 0.527 383 A N 1.183 123.993 122.820 -0.017 0.000 2.147 383 A HA 0.181 4.492 4.320 -0.014 0.000 0.211 383 A C 1.289 178.831 177.584 -0.071 0.000 1.160 383 A CA -0.276 51.767 52.037 0.011 0.000 0.781 383 A CB 0.027 19.052 19.000 0.042 0.000 0.842 383 A HN 0.145 nan 8.150 nan 0.000 0.475 384 L N 1.843 122.990 121.223 -0.126 0.000 2.513 384 L HA 0.052 4.383 4.340 -0.014 0.000 0.272 384 L C 0.077 176.635 176.870 -0.519 0.000 1.187 384 L CA 0.598 55.311 54.840 -0.213 0.000 0.895 384 L CB -0.024 41.941 42.059 -0.156 0.000 1.147 384 L HN 0.429 nan 8.230 nan 0.000 0.483 385 E N 4.599 124.403 120.200 -0.659 0.000 2.180 385 E HA 0.188 4.530 4.350 -0.014 0.000 0.283 385 E C -0.475 175.541 176.600 -0.975 0.000 1.061 385 E CA -0.218 55.391 56.400 -1.319 0.000 0.861 385 E CB 0.641 29.840 29.700 -0.835 0.000 1.056 385 E HN 0.381 nan 8.360 nan 0.000 0.407 386 R N 3.841 123.683 120.500 -1.098 0.000 2.412 386 R HA 0.219 4.551 4.340 -0.014 0.000 0.304 386 R C -1.207 174.972 176.300 -0.202 0.000 1.066 386 R CA -0.589 55.259 56.100 -0.420 0.000 0.923 386 R CB 0.914 31.089 30.300 -0.208 0.000 1.156 386 R HN 0.414 nan 8.270 nan 0.000 0.513 387 W N 4.587 125.887 121.300 0.001 0.000 2.287 387 W HA 0.275 4.927 4.660 -0.014 0.000 0.313 387 W C -1.900 174.614 176.519 -0.009 0.000 1.267 387 W CA -2.208 55.180 57.345 0.071 0.000 1.201 387 W CB 0.765 30.235 29.460 0.017 0.000 1.196 387 W HN 0.271 nan 8.180 nan 0.000 0.536 388 P HA -0.086 nan 4.420 nan 0.000 0.263 388 P C 0.829 178.072 177.300 -0.095 0.000 1.195 388 P CA 0.238 63.324 63.100 -0.024 0.000 0.762 388 P CB 0.737 32.274 31.700 -0.272 0.000 0.799 389 V N 3.533 123.440 119.914 -0.011 0.000 2.324 389 V HA -0.299 3.813 4.120 -0.014 0.000 0.250 389 V C 2.143 178.244 176.094 0.012 0.000 1.060 389 V CA 2.633 64.949 62.300 0.027 0.000 1.042 389 V CB -1.657 30.247 31.823 0.134 0.000 0.650 389 V HN 0.765 nan 8.190 nan 0.000 0.450 390 H N -1.205 117.929 119.070 0.106 0.000 2.457 390 H HA -0.090 4.458 4.556 -0.014 0.000 0.294 390 H C 2.040 177.421 175.328 0.088 0.000 1.064 390 H CA 1.678 57.783 56.048 0.095 0.000 1.330 390 H CB -0.521 29.296 29.762 0.093 0.000 1.395 390 H HN 0.381 nan 8.280 nan 0.000 0.541 391 L N -0.073 121.022 121.223 -0.214 0.000 2.005 391 L HA -0.086 4.246 4.340 -0.014 0.000 0.207 391 L C 2.276 179.110 176.870 -0.060 0.000 1.072 391 L CA 1.057 55.860 54.840 -0.062 0.000 0.744 391 L CB -0.205 41.800 42.059 -0.088 0.000 0.895 391 L HN 0.324 nan 8.230 nan 0.000 0.433 392 L N -0.552 120.610 121.223 -0.102 0.000 2.083 392 L HA -0.257 4.075 4.340 -0.014 0.000 0.209 392 L C 2.451 179.270 176.870 -0.085 0.000 1.083 392 L CA 1.201 55.955 54.840 -0.142 0.000 0.752 392 L CB -0.434 41.530 42.059 -0.159 0.000 0.899 392 L HN 0.315 nan 8.230 nan 0.000 0.433 393 E N -0.506 119.687 120.200 -0.012 0.000 2.086 393 E HA -0.257 4.084 4.350 -0.014 0.000 0.200 393 E C 1.965 178.609 176.600 0.074 0.000 1.012 393 E CA 2.222 58.650 56.400 0.046 0.000 0.812 393 E CB 0.063 29.830 29.700 0.111 0.000 0.743 393 E HN 0.476 nan 8.360 nan 0.000 0.453 394 T N 0.580 115.199 114.554 0.109 0.000 2.809 394 T HA -0.088 4.254 4.350 -0.014 0.000 0.260 394 T C 1.768 176.579 174.700 0.184 0.000 1.039 394 T CA 0.715 62.929 62.100 0.190 0.000 1.141 394 T CB -0.184 68.828 68.868 0.240 0.000 0.869 394 T HN 0.045 nan 8.240 nan 0.000 0.437 395 L N 0.074 121.307 121.223 0.017 0.000 2.095 395 L HA 0.312 4.643 4.340 -0.014 0.000 0.204 395 L C 0.454 177.271 176.870 -0.089 0.000 1.080 395 L CA 1.634 56.371 54.840 -0.172 0.000 0.759 395 L CB -0.050 41.870 42.059 -0.231 0.000 0.914 395 L HN 0.193 nan 8.230 nan 0.000 0.439 396 L N 0.567 121.697 121.223 -0.155 0.000 2.551 396 L HA 0.287 4.619 4.340 -0.014 0.000 0.248 396 L C -1.745 174.946 176.870 -0.299 0.000 1.509 396 L CA -0.885 53.768 54.840 -0.311 0.000 0.842 396 L CB 0.921 42.644 42.059 -0.560 0.000 1.087 396 L HN -0.051 nan 8.230 nan 0.000 0.512 397 P HA -0.166 nan 4.420 nan 0.000 0.218 397 P C 1.480 178.595 177.300 -0.309 0.000 1.149 397 P CA 1.040 64.029 63.100 -0.185 0.000 0.817 397 P CB 0.369 32.038 31.700 -0.052 0.000 0.785 398 R N -0.161 119.962 120.500 -0.628 0.000 2.092 398 R HA -0.140 4.192 4.340 -0.014 0.000 0.231 398 R C 2.260 178.261 176.300 -0.498 0.000 1.119 398 R CA 1.581 57.315 56.100 -0.610 0.000 0.970 398 R CB -1.338 28.413 30.300 -0.915 0.000 0.864 398 R HN 0.212 nan 8.270 nan 0.000 0.440 399 H N -0.333 118.425 119.070 -0.519 0.000 2.423 399 H HA -0.021 4.527 4.556 -0.014 0.000 0.297 399 H C 1.765 176.926 175.328 -0.279 0.000 1.075 399 H CA 1.540 57.367 56.048 -0.368 0.000 1.342 399 H CB -0.032 29.470 29.762 -0.432 0.000 1.395 399 H HN 0.101 nan 8.280 nan 0.000 0.530 400 L N 0.494 121.604 121.223 -0.188 0.000 2.017 400 L HA -0.252 4.079 4.340 -0.014 0.000 0.208 400 L C 1.939 178.655 176.870 -0.257 0.000 1.073 400 L CA 1.617 56.292 54.840 -0.276 0.000 0.745 400 L CB -0.296 41.630 42.059 -0.222 0.000 0.894 400 L HN 0.449 nan 8.230 nan 0.000 0.432 401 Q N -0.275 119.473 119.800 -0.086 0.000 2.061 401 Q HA -0.256 4.076 4.340 -0.014 0.000 0.204 401 Q C 2.159 178.185 176.000 0.044 0.000 0.984 401 Q CA 1.775 57.609 55.803 0.052 0.000 0.846 401 Q CB -0.177 28.584 28.738 0.038 0.000 0.902 401 Q HN 0.554 nan 8.270 nan 0.000 0.421 402 I N 0.426 120.997 120.570 0.001 0.000 2.226 402 I HA -0.277 3.885 4.170 -0.014 0.000 0.245 402 I C 2.180 178.367 176.117 0.117 0.000 1.100 402 I CA 1.055 62.429 61.300 0.124 0.000 1.374 402 I CB -0.159 37.864 38.000 0.039 0.000 1.057 402 I HN 0.189 nan 8.210 nan 0.000 0.413 403 I N -0.569 119.989 120.570 -0.021 0.000 2.286 403 I HA -0.312 3.849 4.170 -0.014 0.000 0.248 403 I C 2.361 178.475 176.117 -0.006 0.000 1.115 403 I CA 1.411 62.681 61.300 -0.050 0.000 1.392 403 I CB -0.358 37.545 38.000 -0.161 0.000 1.065 403 I HN 0.154 nan 8.210 nan 0.000 0.418 404 Y N 0.804 121.110 120.300 0.010 0.000 2.181 404 Y HA -0.267 4.274 4.550 -0.014 0.000 0.288 404 Y C 2.598 178.466 175.900 -0.054 0.000 1.146 404 Y CA 1.541 59.633 58.100 -0.012 0.000 1.164 404 Y CB -0.737 37.709 38.460 -0.024 0.000 0.982 404 Y HN 0.183 nan 8.280 nan 0.000 0.515 405 E N 0.431 120.669 120.200 0.063 0.000 2.077 405 E HA -0.154 4.188 4.350 -0.014 0.000 0.193 405 E C 2.043 178.561 176.600 -0.136 0.000 0.989 405 E CA 1.337 57.637 56.400 -0.167 0.000 0.800 405 E CB -0.546 28.893 29.700 -0.434 0.000 0.746 405 E HN 0.479 nan 8.360 nan 0.000 0.452 406 I N 0.634 121.221 120.570 0.030 0.000 2.163 406 I HA -0.294 3.868 4.170 -0.014 0.000 0.243 406 I C 2.303 178.423 176.117 0.006 0.000 1.085 406 I CA 1.414 62.688 61.300 -0.044 0.000 1.347 406 I CB -0.420 37.564 38.000 -0.025 0.000 1.044 406 I HN 0.224 nan 8.210 nan 0.000 0.408 407 N N 0.773 119.521 118.700 0.081 0.000 2.069 407 N HA -0.279 4.452 4.740 -0.014 0.000 0.191 407 N C 1.869 177.468 175.510 0.148 0.000 1.031 407 N CA 1.679 54.828 53.050 0.165 0.000 0.852 407 N CB -0.188 38.412 38.487 0.189 0.000 1.018 407 N HN 0.317 nan 8.380 nan 0.000 0.423 408 Q N 0.056 119.890 119.800 0.057 0.000 2.030 408 Q HA -0.157 4.175 4.340 -0.014 0.000 0.204 408 Q C 2.000 177.988 176.000 -0.021 0.000 0.986 408 Q CA 1.567 57.367 55.803 -0.005 0.000 0.843 408 Q CB -0.035 28.660 28.738 -0.072 0.000 0.904 408 Q HN 0.393 nan 8.270 nan 0.000 0.420 409 R N -0.730 119.735 120.500 -0.059 0.000 2.115 409 R HA -0.118 4.213 4.340 -0.014 0.000 0.230 409 R C 2.183 178.509 176.300 0.043 0.000 1.111 409 R CA 1.186 57.249 56.100 -0.062 0.000 0.976 409 R CB -0.344 29.865 30.300 -0.152 0.000 0.870 409 R HN 0.305 nan 8.270 nan 0.000 0.445 410 F N 1.458 121.383 119.950 -0.041 0.000 2.163 410 F HA -0.060 4.459 4.527 -0.014 0.000 0.297 410 F C 1.872 177.694 175.800 0.038 0.000 1.094 410 F CA 1.218 59.241 58.000 0.039 0.000 1.290 410 F CB -0.114 38.941 39.000 0.091 0.000 1.017 410 F HN -0.131 nan 8.300 nan 0.000 0.483 411 L N -0.003 121.230 121.223 0.018 0.000 2.201 411 L HA -0.204 4.128 4.340 -0.014 0.000 0.212 411 L C 1.956 178.763 176.870 -0.104 0.000 1.105 411 L CA 1.364 56.155 54.840 -0.082 0.000 0.775 411 L CB -0.859 41.215 42.059 0.025 0.000 0.913 411 L HN 0.241 nan 8.230 nan 0.000 0.440 412 N N -0.146 118.511 118.700 -0.072 0.000 2.223 412 N HA -0.215 4.516 4.740 -0.014 0.000 0.185 412 N C 1.949 177.405 175.510 -0.090 0.000 1.016 412 N CA 0.774 53.782 53.050 -0.070 0.000 0.863 412 N CB 0.004 38.457 38.487 -0.057 0.000 0.983 412 N HN 0.242 nan 8.380 nan 0.000 0.429 413 R N 0.699 121.123 120.500 -0.127 0.000 2.093 413 R HA 0.012 4.344 4.340 -0.014 0.000 0.224 413 R C 1.954 178.147 176.300 -0.179 0.000 1.101 413 R CA 0.513 56.531 56.100 -0.136 0.000 0.979 413 R CB 0.054 30.286 30.300 -0.114 0.000 0.877 413 R HN 0.001 nan 8.270 nan 0.000 0.441 414 V N 0.865 120.623 119.914 -0.260 0.000 2.295 414 V HA -0.226 3.886 4.120 -0.014 0.000 0.246 414 V C 2.394 178.483 176.094 -0.009 0.000 1.049 414 V CA 1.984 64.200 62.300 -0.140 0.000 1.024 414 V CB -0.732 30.944 31.823 -0.245 0.000 0.648 414 V HN 0.495 nan 8.190 nan 0.000 0.447 415 A N 0.023 122.810 122.820 -0.054 0.000 1.902 415 A HA -0.115 4.196 4.320 -0.014 0.000 0.217 415 A C 2.388 179.948 177.584 -0.039 0.000 1.181 415 A CA 2.140 54.162 52.037 -0.025 0.000 0.623 415 A CB -0.740 18.238 19.000 -0.038 0.000 0.818 415 A HN 0.583 nan 8.150 nan 0.000 0.443 416 A N -0.552 122.223 122.820 -0.075 0.000 1.968 416 A HA 0.287 4.598 4.320 -0.014 0.000 0.217 416 A C 2.383 179.871 177.584 -0.160 0.000 1.169 416 A CA 1.733 53.714 52.037 -0.094 0.000 0.638 416 A CB -0.695 18.253 19.000 -0.085 0.000 0.812 416 A HN 0.969 nan 8.150 nan 0.000 0.446 417 A N -1.523 121.149 122.820 -0.246 0.000 1.975 417 A HA 0.356 4.667 4.320 -0.014 0.000 0.215 417 A C 0.436 177.541 177.584 -0.798 0.000 1.170 417 A CA 0.559 52.265 52.037 -0.552 0.000 0.656 417 A CB -0.182 18.390 19.000 -0.713 0.000 0.821 417 A HN 0.437 nan 8.150 nan 0.000 0.449 418 F N -0.081 119.823 119.950 -0.078 0.000 2.622 418 F HA 0.352 4.870 4.527 -0.014 0.000 0.338 418 F C -2.814 172.949 175.800 -0.061 0.000 1.334 418 F CA -2.840 55.119 58.000 -0.069 0.000 1.179 418 F CB 0.726 39.677 39.000 -0.081 0.000 1.471 418 F HN -0.081 nan 8.300 nan 0.000 0.576 419 P HA 0.201 nan 4.420 nan 0.000 0.265 419 P C 1.040 178.360 177.300 0.034 0.000 1.193 419 P CA 1.016 64.129 63.100 0.021 0.000 0.765 419 P CB 0.967 32.662 31.700 -0.008 0.000 0.823 420 G N 2.392 111.204 108.800 0.019 0.000 2.234 420 G HA2 -0.256 3.695 3.960 -0.014 0.000 0.260 420 G HA3 -0.256 3.695 3.960 -0.014 0.000 0.260 420 G C 0.412 175.320 174.900 0.012 0.000 0.987 420 G CA 0.108 45.215 45.100 0.012 0.000 0.625 420 G HN 0.615 nan 8.290 nan 0.000 0.532 421 D N 1.104 121.519 120.400 0.025 0.000 2.545 421 D HA 0.343 4.975 4.640 -0.014 0.000 0.227 421 D C 1.619 177.908 176.300 -0.019 0.000 1.150 421 D CA 0.533 54.533 54.000 -0.000 0.000 1.046 421 D CB 0.580 41.377 40.800 -0.006 0.000 1.098 421 D HN 0.218 nan 8.370 nan 0.000 0.502 422 V N 2.982 122.887 119.914 -0.015 0.000 2.515 422 V HA -0.197 3.914 4.120 -0.014 0.000 0.250 422 V C 1.638 177.719 176.094 -0.021 0.000 1.058 422 V CA 1.947 64.238 62.300 -0.015 0.000 1.064 422 V CB -0.028 31.790 31.823 -0.008 0.000 0.675 422 V HN 0.360 nan 8.190 nan 0.000 0.461 423 D N -0.549 119.834 120.400 -0.028 0.000 2.183 423 D HA -0.156 4.475 4.640 -0.014 0.000 0.203 423 D C 2.339 178.610 176.300 -0.048 0.000 0.969 423 D CA 1.026 55.009 54.000 -0.028 0.000 0.842 423 D CB -0.174 40.611 40.800 -0.025 0.000 0.957 423 D HN 0.370 nan 8.370 nan 0.000 0.484 424 R N -0.106 120.343 120.500 -0.086 0.000 2.091 424 R HA -0.107 4.224 4.340 -0.014 0.000 0.238 424 R C 2.260 178.494 176.300 -0.110 0.000 1.136 424 R CA 0.948 56.963 56.100 -0.142 0.000 0.959 424 R CB -0.271 29.890 30.300 -0.232 0.000 0.856 424 R HN 0.261 nan 8.270 nan 0.000 0.437 425 L N 0.491 121.673 121.223 -0.068 0.000 2.043 425 L HA -0.239 4.092 4.340 -0.014 0.000 0.212 425 L C 2.673 179.544 176.870 0.002 0.000 1.075 425 L CA 1.978 56.796 54.840 -0.037 0.000 0.752 425 L CB -0.513 41.535 42.059 -0.020 0.000 0.891 425 L HN 0.306 nan 8.230 nan 0.000 0.432 426 R N 0.033 120.539 120.500 0.010 0.000 2.119 426 R HA -0.079 4.253 4.340 -0.014 0.000 0.222 426 R C 2.157 178.499 176.300 0.070 0.000 1.088 426 R CA 0.916 57.043 56.100 0.045 0.000 0.984 426 R CB -0.498 29.825 30.300 0.038 0.000 0.884 426 R HN 0.172 nan 8.270 nan 0.000 0.447 427 R N 0.066 120.588 120.500 0.037 0.000 2.115 427 R HA 0.107 4.439 4.340 -0.014 0.000 0.230 427 R C 2.043 178.389 176.300 0.076 0.000 1.111 427 R CA 1.782 57.923 56.100 0.068 0.000 0.976 427 R CB -0.180 30.128 30.300 0.014 0.000 0.870 427 R HN 0.328 nan 8.270 nan 0.000 0.445 428 M N 0.019 119.595 119.600 -0.039 0.000 2.510 428 M HA 0.038 4.510 4.480 -0.014 0.000 0.256 428 M C 0.871 177.257 176.300 0.144 0.000 1.132 428 M CA 0.036 55.245 55.300 -0.152 0.000 1.105 428 M CB 0.404 32.800 32.600 -0.340 0.000 1.375 428 M HN -0.079 nan 8.290 nan 0.000 0.477 429 S N 1.269 117.089 115.700 0.199 0.000 2.558 429 S HA 0.034 4.495 4.470 -0.014 0.000 0.293 429 S C 1.140 175.967 174.600 0.379 0.000 1.292 429 S CA -0.226 58.134 58.200 0.268 0.000 1.063 429 S CB 0.502 63.817 63.200 0.193 0.000 0.831 429 S HN 0.362 nan 8.310 nan 0.000 0.499 430 L N 4.373 125.788 121.223 0.319 0.000 2.291 430 L HA 0.098 4.429 4.340 -0.014 0.000 0.214 430 L C 0.333 177.322 176.870 0.198 0.000 1.120 430 L CA 0.251 55.251 54.840 0.267 0.000 0.799 430 L CB -0.509 41.642 42.059 0.153 0.000 0.925 430 L HN 0.397 nan 8.230 nan 0.000 0.446 431 V N 0.912 120.951 119.914 0.208 0.000 2.364 431 V HA 0.166 4.277 4.120 -0.014 0.000 0.272 431 V C 0.079 176.274 176.094 0.167 0.000 1.036 431 V CA -0.549 61.864 62.300 0.189 0.000 0.880 431 V CB 1.255 33.226 31.823 0.247 0.000 0.991 431 V HN 0.178 nan 8.190 nan 0.000 0.460 432 E N 3.505 123.786 120.200 0.135 0.000 2.146 432 E HA 0.377 4.718 4.350 -0.014 0.000 0.282 432 E C -0.561 176.102 176.600 0.103 0.000 0.989 432 E CA -0.444 56.025 56.400 0.114 0.000 0.799 432 E CB 1.673 31.425 29.700 0.086 0.000 1.088 432 E HN 0.644 nan 8.360 nan 0.000 0.397 433 E N 0.956 121.212 120.200 0.094 0.000 2.342 433 E HA 0.616 4.958 4.350 -0.014 0.000 0.257 433 E C 0.254 176.896 176.600 0.070 0.000 1.150 433 E CA 0.320 56.768 56.400 0.081 0.000 0.926 433 E CB 1.367 31.107 29.700 0.067 0.000 1.074 433 E HN 0.626 nan 8.360 nan 0.000 0.449 434 G N -0.626 108.213 108.800 0.065 0.000 2.356 434 G HA2 0.263 4.215 3.960 -0.014 0.000 0.266 434 G HA3 0.263 4.215 3.960 -0.014 0.000 0.266 434 G C 0.351 175.287 174.900 0.060 0.000 1.312 434 G CA 0.061 45.195 45.100 0.058 0.000 0.922 434 G HN 0.584 nan 8.290 nan 0.000 0.480 435 A N -0.700 122.155 122.820 0.057 0.000 1.848 435 A HA 0.277 4.589 4.320 -0.014 0.000 0.217 435 A C 1.753 179.383 177.584 0.078 0.000 1.220 435 A CA 3.883 55.956 52.037 0.059 0.000 0.645 435 A CB -1.476 17.557 19.000 0.056 0.000 0.842 435 A HN 2.292 nan 8.150 nan 0.000 0.451 436 V N -3.017 116.955 119.914 0.096 0.000 2.539 436 V HA 0.507 4.618 4.120 -0.014 0.000 0.292 436 V C -0.199 175.970 176.094 0.124 0.000 1.045 436 V CA -1.339 61.042 62.300 0.136 0.000 0.945 436 V CB 1.313 33.245 31.823 0.182 0.000 0.993 436 V HN 0.344 nan 8.190 nan 0.000 0.464 437 K N 3.677 124.163 120.400 0.142 0.000 2.298 437 K HA 0.486 4.797 4.320 -0.014 0.000 0.280 437 K C -0.374 176.299 176.600 0.122 0.000 1.032 437 K CA -0.200 56.166 56.287 0.132 0.000 0.958 437 K CB 1.042 33.634 32.500 0.153 0.000 0.978 437 K HN 0.734 nan 8.250 nan 0.000 0.472 438 R N 1.883 122.445 120.500 0.104 0.000 2.807 438 R HA 0.476 4.808 4.340 -0.014 0.000 0.276 438 R C -0.426 175.921 176.300 0.079 0.000 0.979 438 R CA -1.036 55.115 56.100 0.086 0.000 0.928 438 R CB 1.311 31.646 30.300 0.059 0.000 1.191 438 R HN 0.362 nan 8.270 nan 0.000 0.471 439 I N 1.988 122.601 120.570 0.071 0.000 2.331 439 I HA 0.142 4.304 4.170 -0.014 0.000 0.292 439 I C -0.034 176.080 176.117 -0.004 0.000 0.998 439 I CA -0.715 60.612 61.300 0.046 0.000 1.267 439 I CB 1.038 39.058 38.000 0.032 0.000 1.386 439 I HN 0.497 nan 8.210 nan 0.000 0.476 440 N N 7.057 125.733 118.700 -0.040 0.000 2.415 440 N HA 0.116 4.848 4.740 -0.014 0.000 0.246 440 N C 0.739 176.149 175.510 -0.166 0.000 1.078 440 N CA -0.335 52.610 53.050 -0.174 0.000 0.942 440 N CB 0.996 39.276 38.487 -0.345 0.000 1.140 440 N HN 0.365 nan 8.380 nan 0.000 0.501 441 M N 2.335 121.830 119.600 -0.175 0.000 2.319 441 M HA -0.023 4.448 4.480 -0.014 0.000 0.265 441 M C 1.842 177.982 176.300 -0.267 0.000 1.068 441 M CA 0.625 55.837 55.300 -0.148 0.000 1.118 441 M CB -1.461 31.095 32.600 -0.073 0.000 1.395 441 M HN 0.601 nan 8.290 nan 0.000 0.435 442 A N -0.535 122.107 122.820 -0.296 0.000 1.929 442 A HA -0.149 4.163 4.320 -0.014 0.000 0.216 442 A C 1.945 179.268 177.584 -0.436 0.000 1.176 442 A CA 1.305 53.115 52.037 -0.379 0.000 0.628 442 A CB -1.053 17.905 19.000 -0.069 0.000 0.816 442 A HN 0.585 nan 8.150 nan 0.000 0.444 443 H N -1.000 117.858 119.070 -0.353 0.000 2.389 443 H HA -0.006 4.542 4.556 -0.014 0.000 0.299 443 H C 2.107 177.216 175.328 -0.365 0.000 1.081 443 H CA 0.886 56.695 56.048 -0.398 0.000 1.345 443 H CB -0.041 29.709 29.762 -0.019 0.000 1.393 443 H HN 0.353 nan 8.280 nan 0.000 0.520 444 L N 0.416 121.555 121.223 -0.140 0.000 2.012 444 L HA -0.255 4.077 4.340 -0.014 0.000 0.210 444 L C 2.227 178.958 176.870 -0.232 0.000 1.073 444 L CA 1.429 56.182 54.840 -0.144 0.000 0.748 444 L CB -0.416 41.584 42.059 -0.098 0.000 0.891 444 L HN 0.471 nan 8.230 nan 0.000 0.431 445 C N -0.002 119.054 119.300 -0.407 0.000 2.429 445 C HA -0.182 4.269 4.460 -0.014 0.000 0.277 445 C C 2.663 177.396 174.990 -0.428 0.000 1.262 445 C CA 0.651 59.346 59.018 -0.538 0.000 1.733 445 C CB -0.786 26.232 27.740 -1.203 0.000 2.010 445 C HN 0.514 nan 8.230 nan 0.000 0.483 446 I N 1.386 121.660 120.570 -0.493 0.000 2.226 446 I HA -0.193 3.969 4.170 -0.014 0.000 0.245 446 I C 2.758 178.741 176.117 -0.223 0.000 1.100 446 I CA 1.633 62.694 61.300 -0.398 0.000 1.374 446 I CB -0.595 37.020 38.000 -0.643 0.000 1.057 446 I HN 0.269 nan 8.210 nan 0.000 0.413 447 A N 0.667 123.335 122.820 -0.254 0.000 1.902 447 A HA -0.085 4.226 4.320 -0.014 0.000 0.217 447 A C 2.232 179.872 177.584 0.093 0.000 1.181 447 A CA 1.853 53.799 52.037 -0.151 0.000 0.623 447 A CB -1.154 17.563 19.000 -0.470 0.000 0.818 447 A HN 0.474 nan 8.150 nan 0.000 0.443 448 G N -1.113 107.676 108.800 -0.018 0.000 3.284 448 G HA2 0.408 4.360 3.960 -0.014 0.000 0.236 448 G HA3 0.408 4.360 3.960 -0.014 0.000 0.236 448 G C 0.106 174.848 174.900 -0.263 0.000 1.158 448 G CA 0.500 45.462 45.100 -0.230 0.000 0.774 448 G HN 0.354 nan 8.290 nan 0.000 0.545 449 S N -0.304 115.298 115.700 -0.163 0.000 2.536 449 S HA 0.316 4.778 4.470 -0.014 0.000 0.298 449 S C 0.707 175.261 174.600 -0.077 0.000 1.083 449 S CA -0.709 57.421 58.200 -0.117 0.000 0.995 449 S CB 1.287 64.421 63.200 -0.111 0.000 1.058 449 S HN 0.501 nan 8.310 nan 0.000 0.488 450 H N -0.055 118.985 119.070 -0.050 0.000 2.548 450 H HA 0.490 5.037 4.556 -0.014 0.000 0.265 450 H C 0.092 175.418 175.328 -0.002 0.000 0.969 450 H CA 0.272 56.320 56.048 0.000 0.000 1.155 450 H CB 0.125 29.899 29.762 0.019 0.000 1.394 450 H HN 0.522 nan 8.280 nan 0.000 0.570 451 A N 0.929 123.451 122.820 -0.497 0.000 2.488 451 A HA 0.551 4.863 4.320 -0.014 0.000 0.298 451 A C -1.444 175.945 177.584 -0.327 0.000 1.044 451 A CA -0.574 51.228 52.037 -0.391 0.000 0.693 451 A CB 2.154 20.894 19.000 -0.433 0.000 1.272 451 A HN 0.096 nan 8.150 nan 0.000 0.402 452 V N 4.111 123.792 119.914 -0.388 0.000 2.531 452 V HA 0.552 4.664 4.120 -0.014 0.000 0.301 452 V C -0.761 175.139 176.094 -0.324 0.000 1.034 452 V CA -0.770 61.288 62.300 -0.403 0.000 0.865 452 V CB 1.843 33.275 31.823 -0.652 0.000 0.995 452 V HN 1.009 nan 8.190 nan 0.000 0.424 453 N N 3.113 121.645 118.700 -0.280 0.000 2.225 453 N HA 0.583 5.314 4.740 -0.014 0.000 0.298 453 N C -0.227 175.182 175.510 -0.168 0.000 1.076 453 N CA -0.363 52.569 53.050 -0.196 0.000 0.792 453 N CB 2.845 41.194 38.487 -0.230 0.000 1.498 453 N HN 0.641 nan 8.380 nan 0.000 0.474 454 G N -0.600 108.145 108.800 -0.093 0.000 2.557 454 G HA2 0.401 4.353 3.960 -0.014 0.000 0.292 454 G HA3 0.401 4.353 3.960 -0.014 0.000 0.292 454 G C 0.809 175.773 174.900 0.107 0.000 1.237 454 G CA -0.435 44.684 45.100 0.031 0.000 0.978 454 G HN 0.645 nan 8.290 nan 0.000 0.498 455 V N -3.767 116.309 119.914 0.270 0.000 3.427 455 V HA 0.697 4.809 4.120 -0.014 0.000 0.305 455 V C 0.556 176.715 176.094 0.109 0.000 1.412 455 V CA 0.403 62.765 62.300 0.103 0.000 1.086 455 V CB -0.808 31.008 31.823 -0.010 0.000 0.964 455 V HN 1.368 nan 8.190 nan 0.000 0.439 456 A N -0.125 122.777 122.820 0.137 0.000 2.599 456 A HA 0.627 4.939 4.320 -0.014 0.000 0.294 456 A C 0.672 178.304 177.584 0.081 0.000 1.055 456 A CA -0.094 52.004 52.037 0.101 0.000 0.683 456 A CB 1.103 20.151 19.000 0.081 0.000 1.278 456 A HN 0.011 nan 8.150 nan 0.000 0.412 457 R N 0.697 121.224 120.500 0.045 0.000 2.096 457 R HA -0.154 4.177 4.340 -0.014 0.000 0.240 457 R C 1.658 177.956 176.300 -0.003 0.000 1.139 457 R CA 2.263 58.367 56.100 0.008 0.000 0.952 457 R CB -0.228 30.072 30.300 0.001 0.000 0.854 457 R HN 0.818 nan 8.270 nan 0.000 0.436 458 I N 0.194 120.771 120.570 0.012 0.000 2.286 458 I HA -0.301 3.860 4.170 -0.014 0.000 0.248 458 I C 2.339 178.464 176.117 0.014 0.000 1.115 458 I CA 1.834 63.133 61.300 -0.001 0.000 1.392 458 I CB -0.227 37.772 38.000 -0.003 0.000 1.065 458 I HN 0.354 nan 8.210 nan 0.000 0.418 459 H N 0.278 119.320 119.070 -0.047 0.000 2.326 459 H HA -0.122 4.425 4.556 -0.014 0.000 0.301 459 H C 2.281 177.580 175.328 -0.048 0.000 1.081 459 H CA 2.218 58.235 56.048 -0.052 0.000 1.334 459 H CB -0.224 29.511 29.762 -0.045 0.000 1.385 459 H HN 0.216 nan 8.280 nan 0.000 0.504 460 S N 0.401 115.989 115.700 -0.186 0.000 2.399 460 S HA -0.124 4.337 4.470 -0.014 0.000 0.231 460 S C 1.881 176.368 174.600 -0.189 0.000 1.022 460 S CA 1.161 59.234 58.200 -0.211 0.000 0.983 460 S CB -0.066 63.078 63.200 -0.094 0.000 0.803 460 S HN 0.485 nan 8.310 nan 0.000 0.480 461 E N 1.260 121.368 120.200 -0.153 0.000 2.047 461 E HA -0.020 4.321 4.350 -0.014 0.000 0.191 461 E C 2.059 178.548 176.600 -0.185 0.000 0.987 461 E CA 0.676 56.976 56.400 -0.167 0.000 0.799 461 E CB -0.441 29.191 29.700 -0.114 0.000 0.752 461 E HN 0.492 nan 8.360 nan 0.000 0.449 462 I N 1.185 121.659 120.570 -0.158 0.000 2.194 462 I HA -0.308 3.853 4.170 -0.014 0.000 0.246 462 I C 2.464 178.459 176.117 -0.203 0.000 1.093 462 I CA 0.962 62.170 61.300 -0.154 0.000 1.355 462 I CB -0.279 37.660 38.000 -0.103 0.000 1.046 462 I HN 0.069 nan 8.210 nan 0.000 0.413 463 L N 0.265 121.337 121.223 -0.251 0.000 2.042 463 L HA -0.242 4.089 4.340 -0.014 0.000 0.210 463 L C 2.459 179.228 176.870 -0.168 0.000 1.076 463 L CA 1.634 56.360 54.840 -0.190 0.000 0.749 463 L CB -0.559 41.462 42.059 -0.062 0.000 0.893 463 L HN 0.236 nan 8.230 nan 0.000 0.432 464 K N -0.226 119.990 120.400 -0.307 0.000 2.243 464 K HA -0.072 4.239 4.320 -0.014 0.000 0.201 464 K C 2.011 178.402 176.600 -0.348 0.000 1.051 464 K CA 0.723 56.682 56.287 -0.547 0.000 0.970 464 K CB 0.115 32.032 32.500 -0.971 0.000 0.755 464 K HN 0.258 nan 8.250 nan 0.000 0.465 465 K N -0.198 120.058 120.400 -0.240 0.000 2.262 465 K HA 0.038 4.350 4.320 -0.014 0.000 0.200 465 K C 1.204 177.744 176.600 -0.100 0.000 1.049 465 K CA 0.988 57.187 56.287 -0.148 0.000 0.979 465 K CB 0.512 32.936 32.500 -0.127 0.000 0.773 465 K HN 0.046 nan 8.250 nan 0.000 0.474 466 T N 0.261 114.746 114.554 -0.115 0.000 3.364 466 T HA 0.053 4.395 4.350 -0.014 0.000 0.179 466 T C 1.490 176.129 174.700 -0.103 0.000 0.939 466 T CA -0.292 61.750 62.100 -0.096 0.000 1.094 466 T CB -0.434 68.371 68.868 -0.104 0.000 1.532 466 T HN 0.000 nan 8.240 nan 0.000 0.346 467 I N 0.860 121.303 120.570 -0.211 0.000 2.208 467 I HA -0.019 4.142 4.170 -0.014 0.000 0.245 467 I C 0.576 176.532 176.117 -0.268 0.000 1.097 467 I CA 1.805 62.893 61.300 -0.354 0.000 1.363 467 I CB -0.128 37.487 38.000 -0.641 0.000 1.051 467 I HN 0.359 nan 8.210 nan 0.000 0.413 468 F N -0.078 119.943 119.950 0.117 0.000 2.791 468 F HA 0.280 4.799 4.527 -0.014 0.000 0.308 468 F C 1.765 177.649 175.800 0.141 0.000 1.138 468 F CA -0.502 57.647 58.000 0.247 0.000 1.294 468 F CB -0.135 39.029 39.000 0.273 0.000 0.975 468 F HN -0.108 nan 8.300 nan 0.000 0.512 469 K N 0.991 121.492 120.400 0.169 0.000 2.044 469 K HA -0.220 4.091 4.320 -0.014 0.000 0.210 469 K C 1.311 177.965 176.600 0.090 0.000 1.049 469 K CA 2.241 58.576 56.287 0.080 0.000 0.927 469 K CB 0.009 32.520 32.500 0.018 0.000 0.713 469 K HN 0.185 nan 8.250 nan 0.000 0.443 470 D N -0.175 120.260 120.400 0.058 0.000 2.117 470 D HA -0.160 4.472 4.640 -0.014 0.000 0.197 470 D C 1.813 178.044 176.300 -0.114 0.000 0.987 470 D CA 1.227 55.142 54.000 -0.141 0.000 0.829 470 D CB -0.307 40.319 40.800 -0.290 0.000 0.961 470 D HN 0.237 nan 8.370 nan 0.000 0.460 471 F N -0.140 119.898 119.950 0.147 0.000 2.146 471 F HA -0.138 4.381 4.527 -0.014 0.000 0.298 471 F C 2.346 178.298 175.800 0.253 0.000 1.096 471 F CA 0.539 58.705 58.000 0.276 0.000 1.275 471 F CB -0.671 38.577 39.000 0.415 0.000 1.008 471 F HN -0.038 nan 8.300 nan 0.000 0.480 472 Y N 1.254 121.541 120.300 -0.020 0.000 2.224 472 Y HA -0.197 4.345 4.550 -0.014 0.000 0.289 472 Y C 2.103 177.987 175.900 -0.026 0.000 1.146 472 Y CA 1.621 59.525 58.100 -0.328 0.000 1.182 472 Y CB -0.572 37.484 38.460 -0.672 0.000 0.983 472 Y HN 0.140 nan 8.280 nan 0.000 0.524 473 E N -0.497 119.645 120.200 -0.097 0.000 2.107 473 E HA -0.172 4.170 4.350 -0.014 0.000 0.191 473 E C 1.976 178.636 176.600 0.100 0.000 0.982 473 E CA 1.074 57.428 56.400 -0.076 0.000 0.809 473 E CB -0.241 29.441 29.700 -0.029 0.000 0.756 473 E HN 0.418 nan 8.360 nan 0.000 0.459 474 L N 1.012 122.337 121.223 0.170 0.000 2.072 474 L HA -0.061 4.271 4.340 -0.014 0.000 0.205 474 L C 0.173 177.120 176.870 0.129 0.000 1.079 474 L CA 1.739 56.712 54.840 0.223 0.000 0.752 474 L CB 0.322 42.508 42.059 0.212 0.000 0.906 474 L HN -0.091 nan 8.230 nan 0.000 0.436 475 E N -0.264 120.005 120.200 0.115 0.000 3.132 475 E HA 0.186 4.527 4.350 -0.014 0.000 0.241 475 E C -2.006 174.535 176.600 -0.098 0.000 1.196 475 E CA -1.225 55.157 56.400 -0.030 0.000 0.869 475 E CB 0.850 30.533 29.700 -0.028 0.000 1.387 475 E HN 0.186 nan 8.360 nan 0.000 0.393 476 P HA -0.229 nan 4.420 nan 0.000 0.220 476 P C 1.180 178.574 177.300 0.157 0.000 1.148 476 P CA 1.297 64.283 63.100 -0.191 0.000 0.803 476 P CB -0.044 31.431 31.700 -0.375 0.000 0.782 477 H N 0.151 119.328 119.070 0.178 0.000 2.491 477 H HA 0.082 4.629 4.556 -0.014 0.000 0.290 477 H C 1.454 176.881 175.328 0.165 0.000 1.050 477 H CA 0.723 56.867 56.048 0.159 0.000 1.309 477 H CB -0.570 29.255 29.762 0.105 0.000 1.392 477 H HN 0.137 nan 8.280 nan 0.000 0.554 478 K N 0.430 120.750 120.400 -0.134 0.000 2.148 478 K HA -0.005 4.307 4.320 -0.014 0.000 0.204 478 K C -0.058 176.440 176.600 -0.170 0.000 1.050 478 K CA 0.486 56.682 56.287 -0.152 0.000 0.942 478 K CB 0.019 32.301 32.500 -0.364 0.000 0.724 478 K HN 0.124 nan 8.250 nan 0.000 0.446 479 F N 1.867 121.851 119.950 0.058 0.000 2.424 479 F HA 0.151 4.670 4.527 -0.014 0.000 0.356 479 F C 0.562 176.368 175.800 0.010 0.000 1.110 479 F CA -0.158 57.874 58.000 0.053 0.000 1.161 479 F CB 0.897 39.982 39.000 0.141 0.000 1.115 479 F HN -0.077 nan 8.300 nan 0.000 0.507 480 Q N 1.846 121.677 119.800 0.052 0.000 2.587 480 Q HA 0.368 4.699 4.340 -0.014 0.000 0.293 480 Q C -1.111 174.853 176.000 -0.061 0.000 1.083 480 Q CA -1.274 54.515 55.803 -0.024 0.000 0.792 480 Q CB 2.993 31.663 28.738 -0.114 0.000 1.484 480 Q HN 0.607 nan 8.270 nan 0.000 0.446 481 N N 0.618 119.263 118.700 -0.092 0.000 2.269 481 N HA 0.271 5.003 4.740 -0.014 0.000 0.304 481 N C -1.476 173.935 175.510 -0.165 0.000 1.072 481 N CA -0.389 52.602 53.050 -0.098 0.000 0.802 481 N CB 1.062 39.514 38.487 -0.059 0.000 1.348 481 N HN 0.292 nan 8.380 nan 0.000 0.484 482 K N 2.732 123.036 120.400 -0.160 0.000 2.723 482 K HA 0.181 4.493 4.320 -0.014 0.000 0.229 482 K C -0.947 175.658 176.600 0.009 0.000 1.022 482 K CA -0.499 55.673 56.287 -0.191 0.000 1.045 482 K CB 1.239 33.407 32.500 -0.554 0.000 1.227 482 K HN 0.536 nan 8.250 nan 0.000 0.516 483 T N 2.160 116.738 114.554 0.040 0.000 2.908 483 T HA 0.038 4.379 4.350 -0.014 0.000 0.301 483 T C 0.785 175.609 174.700 0.207 0.000 1.019 483 T CA 0.378 62.552 62.100 0.124 0.000 1.152 483 T CB 0.202 69.150 68.868 0.134 0.000 0.966 483 T HN 0.364 nan 8.240 nan 0.000 0.540 484 N N 0.668 119.508 118.700 0.233 0.000 2.267 484 N HA 0.374 5.106 4.740 -0.014 0.000 0.226 484 N C 0.521 176.216 175.510 0.309 0.000 1.314 484 N CA -0.084 53.139 53.050 0.288 0.000 0.887 484 N CB 0.363 38.955 38.487 0.175 0.000 1.120 484 N HN 0.760 nan 8.380 nan 0.000 0.440 485 G N -0.695 108.301 108.800 0.326 0.000 2.687 485 G HA2 0.629 4.580 3.960 -0.014 0.000 0.291 485 G HA3 0.629 4.580 3.960 -0.014 0.000 0.291 485 G C -1.390 173.643 174.900 0.222 0.000 1.420 485 G CA -0.755 44.518 45.100 0.289 0.000 0.796 485 G HN 0.602 nan 8.290 nan 0.000 0.485 486 I N -2.495 118.188 120.570 0.188 0.000 2.828 486 I HA 0.749 4.911 4.170 -0.014 0.000 0.302 486 I C -0.197 176.072 176.117 0.254 0.000 1.101 486 I CA -0.962 60.437 61.300 0.165 0.000 1.031 486 I CB 2.462 40.438 38.000 -0.040 0.000 1.231 486 I HN 0.467 nan 8.210 nan 0.000 0.427 487 T N 4.067 118.833 114.554 0.353 0.000 2.794 487 T HA 0.371 4.713 4.350 -0.014 0.000 0.296 487 T C -1.482 173.339 174.700 0.202 0.000 0.949 487 T CA -1.630 60.604 62.100 0.223 0.000 1.101 487 T CB 0.777 69.723 68.868 0.130 0.000 0.905 487 T HN 0.619 nan 8.240 nan 0.000 0.516 488 P HA 0.041 nan 4.420 nan 0.000 0.233 488 P C 1.127 178.397 177.300 -0.050 0.000 1.167 488 P CA 0.389 63.524 63.100 0.060 0.000 0.770 488 P CB 0.338 32.054 31.700 0.026 0.000 0.837 489 R N 0.321 120.745 120.500 -0.126 0.000 2.064 489 R HA -0.001 4.331 4.340 -0.014 0.000 0.228 489 R C 2.669 178.856 176.300 -0.188 0.000 1.144 489 R CA 1.545 57.532 56.100 -0.189 0.000 0.932 489 R CB -1.173 29.016 30.300 -0.185 0.000 0.833 489 R HN 0.051 nan 8.270 nan 0.000 0.429 490 R N -0.845 119.491 120.500 -0.273 0.000 2.075 490 R HA -0.120 4.212 4.340 -0.014 0.000 0.232 490 R C 0.974 176.935 176.300 -0.566 0.000 1.126 490 R CA 1.657 57.436 56.100 -0.536 0.000 0.963 490 R CB -0.125 29.661 30.300 -0.856 0.000 0.858 490 R HN 0.297 nan 8.270 nan 0.000 0.435 491 W N -0.465 120.791 121.300 -0.073 0.000 3.316 491 W HA 0.185 4.836 4.660 -0.015 0.000 0.327 491 W C 0.906 177.395 176.519 -0.050 0.000 1.232 491 W CA -0.744 56.557 57.345 -0.074 0.000 1.805 491 W CB 0.456 29.874 29.460 -0.070 0.000 1.090 491 W HN 0.201 nan 8.180 nan 0.000 0.654 492 L N -1.855 119.426 121.223 0.097 0.000 2.865 492 L HA 0.197 4.528 4.340 -0.014 0.000 0.167 492 L C 1.869 178.755 176.870 0.027 0.000 1.135 492 L CA 0.836 55.725 54.840 0.083 0.000 0.895 492 L CB -0.878 41.259 42.059 0.129 0.000 1.643 492 L HN -0.233 nan 8.230 nan 0.000 0.518 493 V N 1.146 121.055 119.914 -0.009 0.000 2.282 493 V HA -0.301 3.811 4.120 -0.014 0.000 0.249 493 V C 2.473 178.539 176.094 -0.047 0.000 1.057 493 V CA 2.532 64.816 62.300 -0.028 0.000 1.032 493 V CB -0.854 30.923 31.823 -0.078 0.000 0.645 493 V HN 0.528 nan 8.190 nan 0.000 0.447 494 L N 0.491 121.656 121.223 -0.097 0.000 2.005 494 L HA -0.181 4.151 4.340 -0.014 0.000 0.207 494 L C 2.467 179.271 176.870 -0.111 0.000 1.072 494 L CA 2.415 57.181 54.840 -0.124 0.000 0.744 494 L CB -0.260 41.674 42.059 -0.208 0.000 0.895 494 L HN 0.664 nan 8.230 nan 0.000 0.433 495 C N -1.909 117.321 119.300 -0.117 0.000 2.634 495 C HA 0.226 4.677 4.460 -0.014 0.000 0.268 495 C C 1.171 176.143 174.990 -0.030 0.000 1.322 495 C CA -0.343 58.623 59.018 -0.086 0.000 1.737 495 C CB -0.963 26.721 27.740 -0.092 0.000 1.976 495 C HN 0.584 nan 8.230 nan 0.000 0.547 496 N N 1.237 119.932 118.700 -0.009 0.000 2.733 496 N HA 0.291 5.023 4.740 -0.014 0.000 0.271 496 N C -1.825 173.698 175.510 0.021 0.000 1.720 496 N CA -1.575 51.483 53.050 0.013 0.000 0.803 496 N CB 0.840 39.344 38.487 0.027 0.000 1.208 496 N HN 0.234 nan 8.380 nan 0.000 0.498 497 P HA -0.045 nan 4.420 nan 0.000 0.217 497 P C 1.426 178.744 177.300 0.029 0.000 1.150 497 P CA 0.919 64.030 63.100 0.020 0.000 0.832 497 P CB 0.208 31.913 31.700 0.008 0.000 0.787 498 G N 0.542 109.355 108.800 0.022 0.000 2.469 498 G HA2 -0.258 3.693 3.960 -0.014 0.000 0.219 498 G HA3 -0.258 3.693 3.960 -0.014 0.000 0.219 498 G C 1.518 176.431 174.900 0.022 0.000 1.150 498 G CA 0.729 45.840 45.100 0.018 0.000 0.763 498 G HN 0.258 nan 8.290 nan 0.000 0.561 499 L N 0.995 122.233 121.223 0.025 0.000 2.131 499 L HA 0.360 4.692 4.340 -0.014 0.000 0.206 499 L C 3.055 179.962 176.870 0.062 0.000 1.087 499 L CA 1.773 56.629 54.840 0.026 0.000 0.767 499 L CB -0.626 41.447 42.059 0.023 0.000 0.917 499 L HN 0.218 nan 8.230 nan 0.000 0.441 500 A N -0.704 122.171 122.820 0.093 0.000 1.940 500 A HA -0.254 4.058 4.320 -0.014 0.000 0.219 500 A C 2.247 179.930 177.584 0.165 0.000 1.176 500 A CA 1.889 54.031 52.037 0.175 0.000 0.631 500 A CB -0.603 18.484 19.000 0.145 0.000 0.814 500 A HN 0.514 nan 8.150 nan 0.000 0.446 501 E N 0.498 120.756 120.200 0.097 0.000 2.046 501 E HA -0.129 4.213 4.350 -0.014 0.000 0.190 501 E C 1.876 178.518 176.600 0.070 0.000 0.982 501 E CA 1.402 57.848 56.400 0.078 0.000 0.800 501 E CB -0.487 29.242 29.700 0.048 0.000 0.756 501 E HN 0.726 nan 8.360 nan 0.000 0.449 502 I N -1.581 119.027 120.570 0.065 0.000 2.454 502 I HA -0.150 4.012 4.170 -0.014 0.000 0.254 502 I C 1.997 178.184 176.117 0.117 0.000 1.156 502 I CA 1.156 62.509 61.300 0.089 0.000 1.433 502 I CB -0.298 37.748 38.000 0.076 0.000 1.082 502 I HN 0.028 nan 8.210 nan 0.000 0.432 503 I N 1.867 122.478 120.570 0.069 0.000 2.286 503 I HA -0.145 4.017 4.170 -0.014 0.000 0.245 503 I C 3.012 179.075 176.117 -0.091 0.000 1.104 503 I CA 1.190 62.445 61.300 -0.074 0.000 1.397 503 I CB -0.480 37.363 38.000 -0.261 0.000 1.072 503 I HN 0.288 nan 8.210 nan 0.000 0.417 504 A N 0.595 123.461 122.820 0.076 0.000 1.933 504 A HA -0.236 4.076 4.320 -0.014 0.000 0.218 504 A C 2.174 179.785 177.584 0.045 0.000 1.175 504 A CA 1.694 53.821 52.037 0.149 0.000 0.628 504 A CB -0.611 18.498 19.000 0.182 0.000 0.814 504 A HN 0.443 nan 8.150 nan 0.000 0.444 505 E N -0.566 119.642 120.200 0.013 0.000 2.097 505 E HA -0.229 4.113 4.350 -0.014 0.000 0.196 505 E C 2.299 178.862 176.600 -0.061 0.000 1.000 505 E CA 1.401 57.795 56.400 -0.011 0.000 0.804 505 E CB -0.139 29.561 29.700 0.000 0.000 0.740 505 E HN 0.508 nan 8.360 nan 0.000 0.454 506 R N 0.217 120.616 120.500 -0.169 0.000 2.090 506 R HA 0.040 4.372 4.340 -0.014 0.000 0.219 506 R C 2.381 178.588 176.300 -0.155 0.000 1.100 506 R CA 1.018 56.946 56.100 -0.287 0.000 0.991 506 R CB -0.269 29.510 30.300 -0.868 0.000 0.893 506 R HN 0.361 nan 8.270 nan 0.000 0.443 507 I N -3.392 117.098 120.570 -0.134 0.000 4.154 507 I HA 0.433 4.594 4.170 -0.014 0.000 0.334 507 I C 0.518 176.663 176.117 0.048 0.000 1.371 507 I CA 0.104 61.380 61.300 -0.040 0.000 1.110 507 I CB 0.900 38.854 38.000 -0.077 0.000 1.085 507 I HN 0.177 nan 8.210 nan 0.000 0.398 508 G N 2.110 110.952 108.800 0.070 0.000 2.660 508 G HA2 -0.213 3.739 3.960 -0.014 0.000 0.215 508 G HA3 -0.213 3.739 3.960 -0.014 0.000 0.215 508 G C -0.027 175.000 174.900 0.211 0.000 1.345 508 G CA 0.207 45.373 45.100 0.109 0.000 0.877 508 G HN 0.410 nan 8.290 nan 0.000 0.549 509 E N -0.292 119.984 120.200 0.126 0.000 2.489 509 E HA 0.084 4.425 4.350 -0.014 0.000 0.204 509 E C 1.887 178.445 176.600 -0.071 0.000 1.006 509 E CA -0.024 56.392 56.400 0.028 0.000 0.936 509 E CB 0.257 29.966 29.700 0.014 0.000 1.002 509 E HN 0.502 nan 8.360 nan 0.000 0.488 510 E N 0.588 120.813 120.200 0.041 0.000 2.209 510 E HA -0.203 4.138 4.350 -0.014 0.000 0.196 510 E C 1.814 178.415 176.600 0.001 0.000 0.993 510 E CA 1.062 57.480 56.400 0.030 0.000 0.819 510 E CB -0.114 29.625 29.700 0.064 0.000 0.745 510 E HN 0.522 nan 8.360 nan 0.000 0.477 511 Y N -0.367 119.934 120.300 0.001 0.000 2.403 511 Y HA -0.110 4.433 4.550 -0.012 0.000 0.291 511 Y C 1.954 177.827 175.900 -0.045 0.000 1.143 511 Y CA 0.511 58.602 58.100 -0.014 0.000 1.257 511 Y CB -0.455 37.999 38.460 -0.010 0.000 0.984 511 Y HN -0.097 nan 8.280 nan 0.000 0.550 512 I N 1.261 121.376 120.570 -0.759 0.000 2.264 512 I HA -0.238 3.924 4.170 -0.014 0.000 0.248 512 I C 1.897 177.756 176.117 -0.431 0.000 1.111 512 I CA 1.962 62.845 61.300 -0.694 0.000 1.382 512 I CB -1.371 36.132 38.000 -0.829 0.000 1.060 512 I HN 0.538 nan 8.210 nan 0.000 0.418 513 S N -1.571 113.981 115.700 -0.247 0.000 2.578 513 S HA 0.163 4.625 4.470 -0.014 0.000 0.231 513 S C 0.299 174.881 174.600 -0.030 0.000 0.994 513 S CA -0.377 57.760 58.200 -0.105 0.000 0.956 513 S CB 0.327 63.542 63.200 0.024 0.000 0.870 513 S HN 0.320 nan 8.310 nan 0.000 0.494 514 D N 0.683 121.073 120.400 -0.016 0.000 2.823 514 D HA 0.242 4.874 4.640 -0.014 0.000 0.255 514 D C 0.260 176.601 176.300 0.069 0.000 1.257 514 D CA -0.372 53.644 54.000 0.026 0.000 0.803 514 D CB 0.425 41.245 40.800 0.034 0.000 1.384 514 D HN 0.090 nan 8.370 nan 0.000 0.541 515 L N 1.228 122.492 121.223 0.068 0.000 2.353 515 L HA 0.006 4.338 4.340 -0.014 0.000 0.220 515 L C 1.441 178.359 176.870 0.080 0.000 1.133 515 L CA 1.431 56.340 54.840 0.116 0.000 0.798 515 L CB -0.024 42.096 42.059 0.102 0.000 0.922 515 L HN 0.258 nan 8.230 nan 0.000 0.445 516 D N -0.676 119.749 120.400 0.041 0.000 2.221 516 D HA -0.214 4.418 4.640 -0.014 0.000 0.204 516 D C 1.894 178.212 176.300 0.030 0.000 0.982 516 D CA 0.875 54.886 54.000 0.017 0.000 0.857 516 D CB 0.081 40.879 40.800 -0.003 0.000 0.934 516 D HN 0.556 nan 8.370 nan 0.000 0.475 517 Q N 0.023 119.858 119.800 0.058 0.000 2.364 517 Q HA -0.073 4.258 4.340 -0.014 0.000 0.209 517 Q C 2.322 178.334 176.000 0.019 0.000 0.977 517 Q CA 0.321 56.158 55.803 0.056 0.000 0.885 517 Q CB -0.014 28.786 28.738 0.104 0.000 0.941 517 Q HN 0.397 nan 8.270 nan 0.000 0.464 518 L N 0.150 121.376 121.223 0.005 0.000 2.261 518 L HA -0.198 4.134 4.340 -0.014 0.000 0.216 518 L C 2.332 179.191 176.870 -0.018 0.000 1.114 518 L CA 0.870 55.678 54.840 -0.054 0.000 0.777 518 L CB -0.407 41.631 42.059 -0.035 0.000 0.910 518 L HN 0.214 nan 8.230 nan 0.000 0.440 519 R N 0.477 120.980 120.500 0.004 0.000 2.117 519 R HA -0.187 4.145 4.340 -0.014 0.000 0.243 519 R C 2.123 178.432 176.300 0.015 0.000 1.143 519 R CA 1.222 57.329 56.100 0.011 0.000 0.968 519 R CB -0.255 30.048 30.300 0.006 0.000 0.863 519 R HN 0.407 nan 8.270 nan 0.000 0.444 520 K N 0.627 121.035 120.400 0.012 0.000 2.362 520 K HA -0.131 4.181 4.320 -0.014 0.000 0.202 520 K C 1.862 178.512 176.600 0.083 0.000 1.045 520 K CA 0.883 57.189 56.287 0.033 0.000 0.936 520 K CB -0.132 32.387 32.500 0.032 0.000 0.747 520 K HN 0.256 nan 8.250 nan 0.000 0.467 521 L N 0.554 121.799 121.223 0.037 0.000 2.465 521 L HA -0.130 4.202 4.340 -0.014 0.000 0.224 521 L C 1.838 178.788 176.870 0.134 0.000 1.145 521 L CA -0.011 54.862 54.840 0.055 0.000 0.834 521 L CB -0.244 41.796 42.059 -0.033 0.000 0.944 521 L HN 0.115 nan 8.230 nan 0.000 0.451 522 L N 0.098 121.367 121.223 0.078 0.000 2.079 522 L HA -0.195 4.137 4.340 -0.014 0.000 0.210 522 L C 2.686 179.564 176.870 0.015 0.000 1.081 522 L CA 1.979 56.849 54.840 0.051 0.000 0.752 522 L CB -1.043 41.029 42.059 0.022 0.000 0.896 522 L HN 0.364 nan 8.230 nan 0.000 0.433 523 S N -2.619 113.052 115.700 -0.048 0.000 2.660 523 S HA -0.078 4.384 4.470 -0.014 0.000 0.228 523 S C 1.123 175.471 174.600 -0.421 0.000 0.966 523 S CA 0.252 58.317 58.200 -0.225 0.000 0.940 523 S CB -0.584 62.435 63.200 -0.301 0.000 0.773 523 S HN 0.477 nan 8.310 nan 0.000 0.535 524 Y N -0.761 119.482 120.300 -0.094 0.000 2.557 524 Y HA 0.427 4.975 4.550 -0.003 0.000 0.247 524 Y C 1.867 177.818 175.900 0.085 0.000 1.164 524 Y CA -0.533 57.512 58.100 -0.092 0.000 1.218 524 Y CB 0.287 38.488 38.460 -0.431 0.000 1.210 524 Y HN 0.262 nan 8.280 nan 0.000 0.529 525 V N 0.430 120.447 119.914 0.171 0.000 2.626 525 V HA -0.197 3.914 4.120 -0.014 0.000 0.252 525 V C 0.984 177.150 176.094 0.119 0.000 1.067 525 V CA 2.195 64.591 62.300 0.159 0.000 1.081 525 V CB 0.003 31.882 31.823 0.093 0.000 0.686 525 V HN 0.359 nan 8.190 nan 0.000 0.468 526 D N -0.648 119.800 120.400 0.080 0.000 2.395 526 D HA 0.099 4.731 4.640 -0.014 0.000 0.213 526 D C 0.304 176.647 176.300 0.072 0.000 1.110 526 D CA -0.012 54.022 54.000 0.058 0.000 0.835 526 D CB 0.175 40.986 40.800 0.019 0.000 0.965 526 D HN 0.436 nan 8.370 nan 0.000 0.505 527 D N 1.571 122.047 120.400 0.127 0.000 2.336 527 D HA -0.014 4.617 4.640 -0.014 0.000 0.249 527 D C 1.098 177.504 176.300 0.176 0.000 1.213 527 D CA -0.054 54.040 54.000 0.157 0.000 0.870 527 D CB 1.639 42.592 40.800 0.255 0.000 1.076 527 D HN -0.194 nan 8.370 nan 0.000 0.483 528 E N 3.154 123.422 120.200 0.112 0.000 2.153 528 E HA -0.130 4.211 4.350 -0.014 0.000 0.194 528 E C 1.718 178.375 176.600 0.095 0.000 0.988 528 E CA 1.276 57.728 56.400 0.086 0.000 0.811 528 E CB 0.034 29.767 29.700 0.055 0.000 0.746 528 E HN 0.594 nan 8.360 nan 0.000 0.466 529 A N -0.219 122.674 122.820 0.123 0.000 1.855 529 A HA -0.139 4.173 4.320 -0.014 0.000 0.215 529 A C 2.213 179.894 177.584 0.161 0.000 1.191 529 A CA 1.300 53.410 52.037 0.122 0.000 0.613 529 A CB -1.007 18.069 19.000 0.126 0.000 0.829 529 A HN 0.440 nan 8.150 nan 0.000 0.442 530 F N 0.466 120.446 119.950 0.050 0.000 2.095 530 F HA -0.203 4.316 4.527 -0.013 0.000 0.298 530 F C 2.095 177.910 175.800 0.024 0.000 1.104 530 F CA 1.779 59.796 58.000 0.028 0.000 1.232 530 F CB -0.162 38.874 39.000 0.060 0.000 0.987 530 F HN 0.176 nan 8.300 nan 0.000 0.475 531 I N 0.321 120.920 120.570 0.049 0.000 2.145 531 I HA -0.406 3.756 4.170 -0.014 0.000 0.244 531 I C 2.593 178.658 176.117 -0.087 0.000 1.075 531 I CA 1.958 63.232 61.300 -0.044 0.000 1.332 531 I CB -0.571 37.451 38.000 0.038 0.000 1.033 531 I HN 0.133 nan 8.210 nan 0.000 0.410 532 R N 0.837 121.313 120.500 -0.039 0.000 2.081 532 R HA -0.205 4.127 4.340 -0.014 0.000 0.235 532 R C 1.879 178.134 176.300 -0.075 0.000 1.131 532 R CA 2.059 58.135 56.100 -0.041 0.000 0.960 532 R CB -0.186 30.109 30.300 -0.008 0.000 0.856 532 R HN 0.296 nan 8.270 nan 0.000 0.436 533 D N -0.196 120.143 120.400 -0.102 0.000 2.084 533 D HA -0.116 4.515 4.640 -0.014 0.000 0.196 533 D C 2.009 178.189 176.300 -0.200 0.000 0.985 533 D CA 1.405 55.332 54.000 -0.123 0.000 0.826 533 D CB -0.327 40.423 40.800 -0.084 0.000 0.978 533 D HN 0.071 nan 8.370 nan 0.000 0.456 534 V N 1.630 121.319 119.914 -0.376 0.000 2.250 534 V HA -0.315 3.797 4.120 -0.014 0.000 0.250 534 V C 2.527 178.527 176.094 -0.155 0.000 1.060 534 V CA 2.203 64.298 62.300 -0.342 0.000 1.030 534 V CB -0.930 30.611 31.823 -0.471 0.000 0.643 534 V HN 0.220 nan 8.190 nan 0.000 0.445 535 A N -0.787 121.962 122.820 -0.118 0.000 1.972 535 A HA -0.252 4.060 4.320 -0.014 0.000 0.219 535 A C 2.357 179.906 177.584 -0.059 0.000 1.169 535 A CA 2.101 54.102 52.037 -0.060 0.000 0.635 535 A CB -0.467 18.502 19.000 -0.052 0.000 0.810 535 A HN 0.564 nan 8.150 nan 0.000 0.446 536 K N -0.257 120.104 120.400 -0.066 0.000 2.025 536 K HA -0.063 4.248 4.320 -0.014 0.000 0.207 536 K C 1.837 178.413 176.600 -0.040 0.000 1.049 536 K CA 1.468 57.726 56.287 -0.049 0.000 0.933 536 K CB -0.270 32.204 32.500 -0.043 0.000 0.714 536 K HN 0.204 nan 8.250 nan 0.000 0.438 537 V N 1.959 121.844 119.914 -0.047 0.000 2.287 537 V HA -0.265 3.846 4.120 -0.014 0.000 0.248 537 V C 2.410 178.494 176.094 -0.017 0.000 1.053 537 V CA 2.063 64.345 62.300 -0.030 0.000 1.027 537 V CB -0.483 31.317 31.823 -0.039 0.000 0.646 537 V HN 0.366 nan 8.190 nan 0.000 0.447 538 K N 0.287 120.675 120.400 -0.020 0.000 2.063 538 K HA -0.242 4.070 4.320 -0.014 0.000 0.208 538 K C 2.146 178.727 176.600 -0.031 0.000 1.048 538 K CA 1.870 58.153 56.287 -0.006 0.000 0.928 538 K CB -0.512 31.998 32.500 0.017 0.000 0.713 538 K HN 0.401 nan 8.250 nan 0.000 0.442 539 Q N 0.850 120.623 119.800 -0.045 0.000 2.079 539 Q HA -0.089 4.242 4.340 -0.014 0.000 0.200 539 Q C 1.718 177.702 176.000 -0.027 0.000 0.974 539 Q CA 1.934 57.701 55.803 -0.060 0.000 0.840 539 Q CB -0.057 28.646 28.738 -0.058 0.000 0.898 539 Q HN 0.498 nan 8.270 nan 0.000 0.430 540 E N -0.411 119.784 120.200 -0.008 0.000 2.051 540 E HA -0.185 4.157 4.350 -0.014 0.000 0.192 540 E C 1.775 178.401 176.600 0.044 0.000 0.991 540 E CA 1.082 57.492 56.400 0.016 0.000 0.799 540 E CB -0.112 29.596 29.700 0.013 0.000 0.748 540 E HN 0.390 nan 8.360 nan 0.000 0.449 541 N N 0.986 119.711 118.700 0.041 0.000 2.104 541 N HA -0.159 4.573 4.740 -0.014 0.000 0.190 541 N C 1.546 177.141 175.510 0.142 0.000 1.024 541 N CA 1.181 54.276 53.050 0.076 0.000 0.853 541 N CB -0.132 38.386 38.487 0.051 0.000 1.008 541 N HN 0.136 nan 8.380 nan 0.000 0.424 542 K N 0.433 120.883 120.400 0.084 0.000 2.057 542 K HA 0.030 4.341 4.320 -0.014 0.000 0.206 542 K C 2.139 178.874 176.600 0.224 0.000 1.050 542 K CA 0.643 57.000 56.287 0.117 0.000 0.935 542 K CB -0.190 32.110 32.500 -0.333 0.000 0.715 542 K HN 0.091 nan 8.250 nan 0.000 0.439 543 L N 1.158 122.447 121.223 0.110 0.000 2.046 543 L HA -0.194 4.138 4.340 -0.014 0.000 0.208 543 L C 2.589 179.548 176.870 0.148 0.000 1.077 543 L CA 1.101 56.009 54.840 0.114 0.000 0.747 543 L CB -0.331 41.762 42.059 0.056 0.000 0.896 543 L HN 0.094 nan 8.230 nan 0.000 0.432 544 K N -0.134 120.360 120.400 0.156 0.000 2.063 544 K HA -0.219 4.092 4.320 -0.014 0.000 0.208 544 K C 2.146 178.894 176.600 0.246 0.000 1.048 544 K CA 1.762 58.149 56.287 0.167 0.000 0.928 544 K CB -0.394 32.192 32.500 0.143 0.000 0.713 544 K HN 0.151 nan 8.250 nan 0.000 0.442 545 F N 1.101 121.150 119.950 0.165 0.000 2.163 545 F HA -0.055 4.464 4.527 -0.014 0.000 0.297 545 F C 2.081 178.030 175.800 0.248 0.000 1.094 545 F CA 1.178 59.301 58.000 0.206 0.000 1.290 545 F CB -0.428 38.695 39.000 0.205 0.000 1.017 545 F HN 0.042 nan 8.300 nan 0.000 0.483 546 A N 0.438 123.422 122.820 0.272 0.000 1.948 546 A HA -0.161 4.151 4.320 -0.014 0.000 0.220 546 A C 2.412 180.007 177.584 0.017 0.000 1.177 546 A CA 2.037 54.157 52.037 0.140 0.000 0.636 546 A CB -1.545 17.595 19.000 0.233 0.000 0.815 546 A HN 0.481 nan 8.150 nan 0.000 0.449 547 A N -1.539 121.312 122.820 0.052 0.000 1.873 547 A HA -0.073 4.238 4.320 -0.014 0.000 0.215 547 A C 2.138 179.722 177.584 0.001 0.000 1.186 547 A CA 1.577 53.626 52.037 0.019 0.000 0.616 547 A CB -0.883 18.148 19.000 0.051 0.000 0.823 547 A HN 0.779 nan 8.150 nan 0.000 0.442 548 Y N 0.089 120.326 120.300 -0.104 0.000 2.114 548 Y HA -0.236 4.306 4.550 -0.014 0.000 0.282 548 Y C 1.943 177.755 175.900 -0.146 0.000 1.165 548 Y CA 1.938 59.965 58.100 -0.123 0.000 1.148 548 Y CB -0.345 38.036 38.460 -0.131 0.000 0.972 548 Y HN 0.202 nan 8.280 nan 0.000 0.504 549 L N 0.950 122.027 121.223 -0.244 0.000 2.042 549 L HA -0.242 4.089 4.340 -0.014 0.000 0.210 549 L C 2.355 179.154 176.870 -0.118 0.000 1.076 549 L CA 2.076 56.785 54.840 -0.218 0.000 0.749 549 L CB -0.928 40.984 42.059 -0.246 0.000 0.893 549 L HN 0.365 nan 8.230 nan 0.000 0.432 550 E N -1.239 118.891 120.200 -0.116 0.000 2.072 550 E HA -0.175 4.167 4.350 -0.014 0.000 0.190 550 E C 2.336 178.876 176.600 -0.100 0.000 0.982 550 E CA 0.783 57.131 56.400 -0.087 0.000 0.803 550 E CB -0.070 29.536 29.700 -0.157 0.000 0.755 550 E HN 0.466 nan 8.360 nan 0.000 0.453 551 R N 0.745 121.156 120.500 -0.148 0.000 2.062 551 R HA -0.133 4.198 4.340 -0.014 0.000 0.231 551 R C 2.185 178.337 176.300 -0.247 0.000 1.136 551 R CA 1.363 57.367 56.100 -0.160 0.000 0.948 551 R CB -0.092 30.127 30.300 -0.135 0.000 0.845 551 R HN 0.021 nan 8.270 nan 0.000 0.430 552 E N -1.258 118.681 120.200 -0.436 0.000 2.318 552 E HA -0.038 4.303 4.350 -0.014 0.000 0.193 552 E C 0.174 176.291 176.600 -0.806 0.000 0.998 552 E CA 0.753 56.750 56.400 -0.672 0.000 0.859 552 E CB 0.457 29.534 29.700 -1.039 0.000 0.812 552 E HN 0.329 nan 8.360 nan 0.000 0.492 553 Y N -0.683 119.484 120.300 -0.221 0.000 2.728 553 Y HA 0.261 4.803 4.550 -0.014 0.000 0.256 553 Y C -0.070 175.799 175.900 -0.051 0.000 1.112 553 Y CA -0.587 57.445 58.100 -0.113 0.000 1.240 553 Y CB 0.944 39.339 38.460 -0.107 0.000 1.337 553 Y HN -0.231 nan 8.280 nan 0.000 0.559 554 K N -0.090 120.342 120.400 0.052 0.000 3.020 554 K HA -0.159 4.153 4.320 -0.014 0.000 0.266 554 K C -0.282 176.427 176.600 0.182 0.000 1.067 554 K CA 0.914 57.258 56.287 0.096 0.000 0.780 554 K CB -2.540 30.004 32.500 0.073 0.000 1.220 554 K HN 0.284 nan 8.250 nan 0.000 0.483 555 V N -1.785 118.226 119.914 0.162 0.000 2.427 555 V HA 0.432 4.544 4.120 -0.014 0.000 0.286 555 V C 0.569 176.794 176.094 0.218 0.000 1.034 555 V CA -0.779 61.623 62.300 0.171 0.000 0.893 555 V CB 1.740 33.609 31.823 0.076 0.000 0.982 555 V HN 0.226 nan 8.190 nan 0.000 0.452 556 H N 5.131 124.201 119.070 0.000 0.000 2.473 556 H HA 0.734 5.282 4.556 -0.014 0.000 0.327 556 H C -0.353 174.979 175.328 0.006 0.000 1.105 556 H CA -0.432 55.621 56.048 0.008 0.000 1.280 556 H CB 2.112 31.885 29.762 0.018 0.000 1.450 556 H HN 0.857 nan 8.280 nan 0.000 0.492 557 I N -0.044 120.589 120.570 0.106 0.000 2.802 557 I HA 0.309 4.470 4.170 -0.014 0.000 0.298 557 I C -0.648 175.551 176.117 0.136 0.000 1.176 557 I CA -1.282 60.078 61.300 0.099 0.000 1.025 557 I CB 2.184 40.219 38.000 0.057 0.000 1.243 557 I HN 0.334 nan 8.210 nan 0.000 0.424 558 N N 5.633 124.423 118.700 0.149 0.000 2.401 558 N HA 0.384 5.116 4.740 -0.014 0.000 0.255 558 N C -1.978 173.666 175.510 0.223 0.000 1.110 558 N CA -2.144 50.995 53.050 0.147 0.000 0.949 558 N CB 0.973 39.524 38.487 0.106 0.000 1.110 558 N HN 0.403 nan 8.380 nan 0.000 0.490 559 P HA 0.086 nan 4.420 nan 0.000 0.245 559 P C -0.230 177.028 177.300 -0.069 0.000 1.212 559 P CA 0.779 63.937 63.100 0.098 0.000 0.774 559 P CB 0.203 31.948 31.700 0.075 0.000 0.999 560 N N -1.029 117.673 118.700 0.003 0.000 2.353 560 N HA -0.002 4.729 4.740 -0.014 0.000 0.185 560 N C 0.416 175.945 175.510 0.031 0.000 1.098 560 N CA -0.057 52.987 53.050 -0.009 0.000 0.872 560 N CB 0.027 38.523 38.487 0.016 0.000 0.970 560 N HN 0.119 nan 8.380 nan 0.000 0.467 561 S N 0.218 115.948 115.700 0.051 0.000 2.614 561 S HA 0.176 4.637 4.470 -0.014 0.000 0.265 561 S C 0.089 174.653 174.600 -0.059 0.000 1.303 561 S CA -0.906 57.324 58.200 0.050 0.000 1.000 561 S CB 0.999 64.263 63.200 0.106 0.000 0.935 561 S HN 0.194 nan 8.310 nan 0.000 0.551 562 L N 2.333 123.372 121.223 -0.306 0.000 2.418 562 L HA 0.322 4.654 4.340 -0.014 0.000 0.274 562 L C -0.764 176.071 176.870 -0.060 0.000 1.135 562 L CA -0.449 54.004 54.840 -0.645 0.000 0.870 562 L CB -0.295 41.109 42.059 -1.091 0.000 1.154 562 L HN 0.704 nan 8.230 nan 0.000 0.462 563 F N 4.335 124.149 119.950 -0.228 0.000 2.439 563 F HA 0.068 4.587 4.527 -0.013 0.000 0.356 563 F C 0.521 176.251 175.800 -0.117 0.000 1.161 563 F CA -0.772 57.164 58.000 -0.107 0.000 1.151 563 F CB 0.415 39.398 39.000 -0.029 0.000 1.222 563 F HN 0.532 nan 8.300 nan 0.000 0.558 564 D N 4.926 125.331 120.400 0.007 0.000 2.396 564 D HA 0.245 4.877 4.640 -0.014 0.000 0.225 564 D C -1.025 175.217 176.300 -0.096 0.000 1.121 564 D CA -0.116 53.843 54.000 -0.067 0.000 0.853 564 D CB 1.370 42.117 40.800 -0.088 0.000 1.043 564 D HN 0.263 nan 8.370 nan 0.000 0.500 565 V N 2.517 122.353 119.914 -0.129 0.000 2.588 565 V HA 0.562 4.674 4.120 -0.014 0.000 0.304 565 V C -1.304 174.642 176.094 -0.246 0.000 1.042 565 V CA -0.723 61.485 62.300 -0.154 0.000 0.877 565 V CB 1.809 33.594 31.823 -0.064 0.000 0.996 565 V HN 0.513 nan 8.190 nan 0.000 0.425 566 Q N 4.498 124.175 119.800 -0.205 0.000 2.401 566 Q HA 0.675 5.006 4.340 -0.014 0.000 0.260 566 Q C -1.328 174.521 176.000 -0.252 0.000 1.034 566 Q CA -0.659 55.012 55.803 -0.220 0.000 0.737 566 Q CB 1.859 30.496 28.738 -0.169 0.000 1.227 566 Q HN 1.173 nan 8.270 nan 0.000 0.488 567 V N 2.310 122.069 119.914 -0.259 0.000 2.444 567 V HA 0.853 4.964 4.120 -0.014 0.000 0.294 567 V C -0.817 175.011 176.094 -0.442 0.000 1.022 567 V CA -0.577 61.391 62.300 -0.554 0.000 0.850 567 V CB 1.248 32.547 31.823 -0.874 0.000 0.992 567 V HN 0.807 nan 8.190 nan 0.000 0.426 568 K N 2.752 122.915 120.400 -0.395 0.000 3.138 568 K HA 0.347 4.658 4.320 -0.014 0.000 0.309 568 K C -1.060 175.529 176.600 -0.018 0.000 1.090 568 K CA -1.037 55.200 56.287 -0.083 0.000 0.816 568 K CB 1.171 33.627 32.500 -0.072 0.000 1.476 568 K HN 0.627 nan 8.250 nan 0.000 0.380 569 R N 0.609 121.149 120.500 0.066 0.000 2.638 569 R HA 0.097 4.429 4.340 -0.014 0.000 0.268 569 R C 0.347 176.668 176.300 0.036 0.000 1.006 569 R CA -0.172 55.985 56.100 0.095 0.000 1.088 569 R CB 0.037 30.414 30.300 0.129 0.000 0.950 569 R HN 0.322 nan 8.270 nan 0.000 0.419 570 I N 4.360 124.969 120.570 0.066 0.000 2.406 570 I HA 0.073 4.235 4.170 -0.014 0.000 0.293 570 I C 0.466 176.573 176.117 -0.016 0.000 1.101 570 I CA 0.652 61.949 61.300 -0.005 0.000 1.334 570 I CB -0.382 37.611 38.000 -0.012 0.000 1.421 570 I HN 0.523 nan 8.210 nan 0.000 0.513 571 H N 5.059 124.032 119.070 -0.162 0.000 2.930 571 H HA 0.250 4.798 4.556 -0.014 0.000 0.371 571 H C 0.454 175.662 175.328 -0.200 0.000 1.169 571 H CA -0.393 55.596 56.048 -0.100 0.000 1.157 571 H CB 2.043 31.739 29.762 -0.110 0.000 1.789 571 H HN 0.552 nan 8.280 nan 0.000 0.547 572 E N 1.832 122.044 120.200 0.021 0.000 2.160 572 E HA -0.232 4.109 4.350 -0.014 0.000 0.195 572 E C 1.330 177.733 176.600 -0.328 0.000 0.991 572 E CA 1.720 58.121 56.400 0.002 0.000 0.810 572 E CB -0.023 29.842 29.700 0.275 0.000 0.742 572 E HN 0.562 nan 8.360 nan 0.000 0.466 573 Y N 0.639 120.566 120.300 -0.621 0.000 2.373 573 Y HA 0.000 4.542 4.550 -0.014 0.000 0.293 573 Y C 1.506 177.171 175.900 -0.391 0.000 1.129 573 Y CA 0.694 58.192 58.100 -1.003 0.000 1.226 573 Y CB 0.003 37.863 38.460 -1.001 0.000 1.000 573 Y HN -0.211 nan 8.280 nan 0.000 0.549 574 K N 1.147 121.123 120.400 -0.707 0.000 2.439 574 K HA -0.005 4.306 4.320 -0.014 0.000 0.197 574 K C 0.201 176.651 176.600 -0.251 0.000 1.041 574 K CA 0.787 56.774 56.287 -0.501 0.000 0.970 574 K CB -0.233 31.972 32.500 -0.492 0.000 0.773 574 K HN 0.453 nan 8.250 nan 0.000 0.479 575 R N 0.808 121.189 120.500 -0.198 0.000 3.333 575 R HA -0.201 4.131 4.340 -0.014 0.000 0.256 575 R C 0.585 176.819 176.300 -0.110 0.000 1.010 575 R CA 0.291 56.322 56.100 -0.115 0.000 0.680 575 R CB -2.113 28.134 30.300 -0.088 0.000 1.102 575 R HN 0.233 nan 8.270 nan 0.000 0.440 576 Q N 0.293 120.025 119.800 -0.113 0.000 2.248 576 Q HA -0.107 4.224 4.340 -0.014 0.000 0.208 576 Q C 1.848 177.808 176.000 -0.066 0.000 0.984 576 Q CA 1.642 57.392 55.803 -0.088 0.000 0.875 576 Q CB -0.013 28.676 28.738 -0.082 0.000 0.910 576 Q HN 0.619 nan 8.270 nan 0.000 0.433 577 L N -0.784 120.403 121.223 -0.059 0.000 2.093 577 L HA -0.157 4.175 4.340 -0.014 0.000 0.208 577 L C 1.995 178.876 176.870 0.019 0.000 1.085 577 L CA 0.446 55.265 54.840 -0.034 0.000 0.755 577 L CB -0.323 41.726 42.059 -0.017 0.000 0.904 577 L HN 0.294 nan 8.230 nan 0.000 0.435 578 L N 0.091 121.321 121.223 0.012 0.000 2.083 578 L HA -0.245 4.087 4.340 -0.014 0.000 0.209 578 L C 2.018 178.962 176.870 0.122 0.000 1.083 578 L CA 1.881 56.743 54.840 0.037 0.000 0.752 578 L CB -0.774 41.204 42.059 -0.135 0.000 0.899 578 L HN 0.287 nan 8.230 nan 0.000 0.433 579 N N -1.740 116.998 118.700 0.063 0.000 2.084 579 N HA -0.231 4.501 4.740 -0.014 0.000 0.190 579 N C 1.932 177.525 175.510 0.138 0.000 1.030 579 N CA 1.627 54.781 53.050 0.173 0.000 0.849 579 N CB -0.139 38.382 38.487 0.056 0.000 1.012 579 N HN 0.484 nan 8.380 nan 0.000 0.423 580 C N 0.536 119.855 119.300 0.031 0.000 2.413 580 C HA -0.071 4.381 4.460 -0.014 0.000 0.277 580 C C 2.534 177.513 174.990 -0.018 0.000 1.265 580 C CA 0.378 59.364 59.018 -0.052 0.000 1.752 580 C CB -1.257 26.400 27.740 -0.139 0.000 1.998 580 C HN 0.505 nan 8.230 nan 0.000 0.489 581 L N -0.501 120.778 121.223 0.094 0.000 2.093 581 L HA -0.155 4.177 4.340 -0.014 0.000 0.208 581 L C 2.776 179.798 176.870 0.254 0.000 1.085 581 L CA 1.601 56.542 54.840 0.168 0.000 0.755 581 L CB -1.048 41.173 42.059 0.270 0.000 0.904 581 L HN 0.569 nan 8.230 nan 0.000 0.435 582 H N 0.135 119.315 119.070 0.183 0.000 2.321 582 H HA -0.141 4.407 4.556 -0.014 0.000 0.300 582 H C 2.248 177.565 175.328 -0.018 0.000 1.087 582 H CA 1.966 58.032 56.048 0.030 0.000 1.319 582 H CB 0.302 29.990 29.762 -0.124 0.000 1.379 582 H HN 0.070 nan 8.280 nan 0.000 0.501 583 V N 1.639 121.475 119.914 -0.131 0.000 2.282 583 V HA -0.297 3.815 4.120 -0.014 0.000 0.249 583 V C 2.872 178.894 176.094 -0.120 0.000 1.057 583 V CA 2.061 64.255 62.300 -0.178 0.000 1.032 583 V CB -0.564 31.199 31.823 -0.100 0.000 0.645 583 V HN 0.393 nan 8.190 nan 0.000 0.447 584 I N -0.281 120.250 120.570 -0.064 0.000 2.286 584 I HA -0.229 3.932 4.170 -0.014 0.000 0.248 584 I C 2.500 178.659 176.117 0.070 0.000 1.115 584 I CA 1.756 63.079 61.300 0.039 0.000 1.392 584 I CB -0.691 37.307 38.000 -0.003 0.000 1.065 584 I HN 0.337 nan 8.210 nan 0.000 0.418 585 T N 1.205 115.759 114.554 -0.001 0.000 2.684 585 T HA -0.160 4.181 4.350 -0.014 0.000 0.267 585 T C 1.875 176.521 174.700 -0.091 0.000 1.036 585 T CA 1.237 63.329 62.100 -0.013 0.000 1.148 585 T CB -0.263 68.622 68.868 0.029 0.000 0.863 585 T HN 0.076 nan 8.240 nan 0.000 0.436 586 L N 0.139 121.238 121.223 -0.206 0.000 2.012 586 L HA -0.040 4.292 4.340 -0.014 0.000 0.210 586 L C 2.112 178.940 176.870 -0.070 0.000 1.073 586 L CA 1.604 56.328 54.840 -0.195 0.000 0.748 586 L CB -1.117 40.763 42.059 -0.298 0.000 0.891 586 L HN 0.366 nan 8.230 nan 0.000 0.431 587 Y N 0.276 120.511 120.300 -0.110 0.000 2.128 587 Y HA -0.292 4.249 4.550 -0.014 0.000 0.284 587 Y C 2.421 178.297 175.900 -0.039 0.000 1.154 587 Y CA 1.899 59.973 58.100 -0.044 0.000 1.149 587 Y CB -0.116 38.361 38.460 0.028 0.000 0.976 587 Y HN 0.281 nan 8.280 nan 0.000 0.505 588 N N 0.364 119.024 118.700 -0.067 0.000 2.244 588 N HA -0.119 4.613 4.740 -0.014 0.000 0.183 588 N C 1.804 177.210 175.510 -0.174 0.000 1.016 588 N CA 1.330 54.282 53.050 -0.162 0.000 0.866 588 N CB -0.325 38.126 38.487 -0.060 0.000 0.980 588 N HN 0.438 nan 8.380 nan 0.000 0.430 589 R N 0.240 120.660 120.500 -0.134 0.000 2.090 589 R HA 0.114 4.446 4.340 -0.014 0.000 0.228 589 R C 2.129 178.345 176.300 -0.141 0.000 1.110 589 R CA 0.615 56.643 56.100 -0.120 0.000 0.973 589 R CB -0.148 30.091 30.300 -0.102 0.000 0.869 589 R HN 0.222 nan 8.270 nan 0.000 0.440 590 I N 0.898 121.361 120.570 -0.177 0.000 2.202 590 I HA -0.265 3.896 4.170 -0.014 0.000 0.242 590 I C 2.063 178.060 176.117 -0.200 0.000 1.091 590 I CA 1.215 62.409 61.300 -0.177 0.000 1.368 590 I CB -0.120 37.776 38.000 -0.173 0.000 1.058 590 I HN 0.005 nan 8.210 nan 0.000 0.410 591 K N 0.744 120.959 120.400 -0.308 0.000 2.209 591 K HA -0.198 4.114 4.320 -0.014 0.000 0.204 591 K C 2.003 178.507 176.600 -0.161 0.000 1.048 591 K CA 1.136 57.261 56.287 -0.271 0.000 0.940 591 K CB -0.230 32.032 32.500 -0.396 0.000 0.729 591 K HN 0.322 nan 8.250 nan 0.000 0.451 592 K N 1.053 121.366 120.400 -0.145 0.000 2.137 592 K HA -0.045 4.267 4.320 -0.014 0.000 0.202 592 K C 0.059 176.614 176.600 -0.074 0.000 1.052 592 K CA 0.876 57.105 56.287 -0.097 0.000 0.961 592 K CB 0.438 32.884 32.500 -0.090 0.000 0.741 592 K HN 0.027 nan 8.250 nan 0.000 0.452 593 E N 0.376 120.530 120.200 -0.077 0.000 3.108 593 E HA 0.119 4.461 4.350 -0.014 0.000 0.228 593 E C -2.337 174.230 176.600 -0.055 0.000 1.176 593 E CA -1.621 54.746 56.400 -0.055 0.000 0.881 593 E CB 1.714 31.388 29.700 -0.043 0.000 1.354 593 E HN 0.138 nan 8.360 nan 0.000 0.400 594 P HA -0.098 nan 4.420 nan 0.000 0.221 594 P C 0.259 177.543 177.300 -0.026 0.000 1.150 594 P CA 1.085 64.154 63.100 -0.051 0.000 0.800 594 P CB 0.216 31.889 31.700 -0.045 0.000 0.787 595 N N -1.254 117.439 118.700 -0.011 0.000 2.270 595 N HA 0.017 4.749 4.740 -0.014 0.000 0.198 595 N C 0.608 176.137 175.510 0.031 0.000 1.117 595 N CA -0.116 52.940 53.050 0.011 0.000 0.845 595 N CB 0.128 38.620 38.487 0.010 0.000 0.980 595 N HN -0.014 nan 8.380 nan 0.000 0.486 596 K N 1.157 121.568 120.400 0.019 0.000 2.174 596 K HA 0.137 4.449 4.320 -0.014 0.000 0.275 596 K C -0.883 175.761 176.600 0.072 0.000 1.015 596 K CA -0.490 55.823 56.287 0.043 0.000 0.933 596 K CB 0.612 33.116 32.500 0.007 0.000 1.025 596 K HN -0.051 nan 8.250 nan 0.000 0.463 597 F N 4.284 124.221 119.950 -0.021 0.000 2.456 597 F HA 0.229 4.747 4.527 -0.014 0.000 0.358 597 F C -0.374 175.413 175.800 -0.021 0.000 1.095 597 F CA -0.260 57.730 58.000 -0.018 0.000 1.216 597 F CB 0.664 39.655 39.000 -0.014 0.000 1.125 597 F HN 0.170 nan 8.300 nan 0.000 0.549 598 V N 4.228 123.581 119.914 -0.935 0.000 2.789 598 V HA 0.531 4.643 4.120 -0.014 0.000 0.311 598 V C -0.728 174.759 176.094 -1.012 0.000 1.073 598 V CA -1.217 60.647 62.300 -0.726 0.000 0.921 598 V CB 0.947 32.556 31.823 -0.358 0.000 1.009 598 V HN 0.580 nan 8.190 nan 0.000 0.426 599 V N 5.163 124.744 119.914 -0.555 0.000 2.493 599 V HA 0.166 4.278 4.120 -0.014 0.000 0.292 599 V C -1.814 174.130 176.094 -0.249 0.000 1.016 599 V CA -0.271 61.854 62.300 -0.290 0.000 1.097 599 V CB 0.273 32.053 31.823 -0.073 0.000 0.947 599 V HN 0.901 nan 8.190 nan 0.000 0.479 600 P HA 0.404 nan 4.420 nan 0.000 0.271 600 P C -0.517 176.715 177.300 -0.113 0.000 1.216 600 P CA -0.200 62.827 63.100 -0.122 0.000 0.776 600 P CB 0.594 32.267 31.700 -0.046 0.000 0.881 601 R N 0.882 121.325 120.500 -0.096 0.000 2.686 601 R HA 0.578 4.910 4.340 -0.014 0.000 0.283 601 R C -0.734 175.549 176.300 -0.029 0.000 0.978 601 R CA -0.619 55.428 56.100 -0.088 0.000 0.897 601 R CB 1.771 31.997 30.300 -0.123 0.000 1.192 601 R HN 0.277 nan 8.270 nan 0.000 0.457 602 T N 1.825 116.389 114.554 0.016 0.000 2.770 602 T HA 0.176 4.518 4.350 -0.014 0.000 0.297 602 T C -0.742 173.900 174.700 -0.096 0.000 0.997 602 T CA -0.465 61.608 62.100 -0.045 0.000 0.949 602 T CB 1.195 69.998 68.868 -0.108 0.000 0.941 602 T HN 0.241 nan 8.240 nan 0.000 0.457 603 V N 6.700 126.558 119.914 -0.094 0.000 2.385 603 V HA 0.568 4.680 4.120 -0.014 0.000 0.269 603 V C -0.522 175.504 176.094 -0.112 0.000 1.043 603 V CA -0.517 61.727 62.300 -0.094 0.000 0.906 603 V CB 0.334 32.117 31.823 -0.066 0.000 0.995 603 V HN 0.861 nan 8.190 nan 0.000 0.467 604 M N 8.089 127.609 119.600 -0.134 0.000 2.227 604 M HA 0.599 5.071 4.480 -0.014 0.000 0.335 604 M C -1.010 175.188 176.300 -0.169 0.000 1.053 604 M CA -0.206 55.005 55.300 -0.149 0.000 0.973 604 M CB 1.970 34.474 32.600 -0.160 0.000 1.623 604 M HN 0.428 nan 8.290 nan 0.000 0.434 605 I N 1.724 122.176 120.570 -0.198 0.000 2.498 605 I HA 0.848 5.010 4.170 -0.014 0.000 0.290 605 I C 0.042 175.829 176.117 -0.550 0.000 1.032 605 I CA -0.609 60.545 61.300 -0.244 0.000 1.073 605 I CB 2.375 40.328 38.000 -0.078 0.000 1.251 605 I HN 0.810 nan 8.210 nan 0.000 0.426 606 G N 2.858 111.302 108.800 -0.593 0.000 2.690 606 G HA2 0.833 4.785 3.960 -0.014 0.000 0.293 606 G HA3 0.833 4.785 3.960 -0.014 0.000 0.293 606 G C -1.021 173.581 174.900 -0.496 0.000 1.399 606 G CA -0.701 43.904 45.100 -0.825 0.000 0.890 606 G HN 1.005 nan 8.290 nan 0.000 0.485 607 G N -0.405 108.263 108.800 -0.219 0.000 2.337 607 G HA2 0.395 4.347 3.960 -0.014 0.000 0.310 607 G HA3 0.395 4.347 3.960 -0.014 0.000 0.310 607 G C -1.329 173.717 174.900 0.243 0.000 1.534 607 G CA -1.047 44.095 45.100 0.070 0.000 0.982 607 G HN 0.602 nan 8.290 nan 0.000 0.672 608 K N -0.009 120.536 120.400 0.243 0.000 2.130 608 K HA 0.735 5.046 4.320 -0.014 0.000 0.268 608 K C 0.346 177.112 176.600 0.276 0.000 0.983 608 K CA -0.160 56.300 56.287 0.289 0.000 0.893 608 K CB 2.011 34.617 32.500 0.176 0.000 1.066 608 K HN 0.875 nan 8.250 nan 0.000 0.450 609 A N 1.630 124.629 122.820 0.298 0.000 2.306 609 A HA 0.614 4.925 4.320 -0.014 0.000 0.314 609 A C -0.326 177.460 177.584 0.337 0.000 1.164 609 A CA -0.669 51.497 52.037 0.215 0.000 0.822 609 A CB 0.850 19.891 19.000 0.068 0.000 1.130 609 A HN 0.788 nan 8.150 nan 0.000 0.496 610 A N 3.563 126.587 122.820 0.339 0.000 2.511 610 A HA 0.476 4.787 4.320 -0.014 0.000 0.242 610 A C -1.347 176.347 177.584 0.183 0.000 1.069 610 A CA -0.862 51.372 52.037 0.329 0.000 0.763 610 A CB -0.358 18.842 19.000 0.333 0.000 1.001 610 A HN 0.607 nan 8.150 nan 0.000 0.498 611 P HA -0.160 nan 4.420 nan 0.000 0.217 611 P C 1.412 178.718 177.300 0.009 0.000 1.151 611 P CA 2.077 65.127 63.100 -0.085 0.000 0.849 611 P CB 0.176 31.775 31.700 -0.169 0.000 0.787 612 G N -3.042 105.794 108.800 0.060 0.000 2.880 612 G HA2 -0.118 3.834 3.960 -0.014 0.000 0.209 612 G HA3 -0.118 3.834 3.960 -0.014 0.000 0.209 612 G C 0.002 174.971 174.900 0.115 0.000 1.157 612 G CA -0.153 44.979 45.100 0.054 0.000 0.779 612 G HN 0.309 nan 8.290 nan 0.000 0.539 613 Y N 1.875 122.176 120.300 0.003 0.000 2.627 613 Y HA 0.152 4.693 4.550 -0.014 0.000 0.347 613 Y C 1.707 177.622 175.900 0.024 0.000 1.099 613 Y CA -0.996 57.100 58.100 -0.007 0.000 1.408 613 Y CB 0.122 38.577 38.460 -0.008 0.000 1.247 613 Y HN 0.285 nan 8.280 nan 0.000 0.506 614 H N 4.348 123.549 119.070 0.219 0.000 2.321 614 H HA -0.207 4.340 4.556 -0.014 0.000 0.300 614 H C 1.806 177.169 175.328 0.059 0.000 1.087 614 H CA 2.203 58.312 56.048 0.102 0.000 1.319 614 H CB 0.378 30.180 29.762 0.066 0.000 1.379 614 H HN 0.732 nan 8.280 nan 0.000 0.501 615 M N 1.069 120.674 119.600 0.008 0.000 2.117 615 M HA -0.057 4.415 4.480 -0.014 0.000 0.262 615 M C 2.529 178.599 176.300 -0.383 0.000 1.065 615 M CA 1.796 57.008 55.300 -0.146 0.000 1.114 615 M CB -0.703 31.942 32.600 0.074 0.000 1.361 615 M HN 0.327 nan 8.290 nan 0.000 0.408 616 A N -0.255 122.104 122.820 -0.768 0.000 1.933 616 A HA -0.181 4.131 4.320 -0.014 0.000 0.218 616 A C 2.192 179.584 177.584 -0.321 0.000 1.175 616 A CA 1.801 53.420 52.037 -0.696 0.000 0.628 616 A CB -0.647 17.759 19.000 -0.989 0.000 0.814 616 A HN 0.576 nan 8.150 nan 0.000 0.444 617 K N -1.132 119.133 120.400 -0.225 0.000 2.097 617 K HA -0.076 4.236 4.320 -0.014 0.000 0.205 617 K C 1.919 178.475 176.600 -0.073 0.000 1.050 617 K CA 1.284 57.523 56.287 -0.081 0.000 0.938 617 K CB -0.241 32.269 32.500 0.017 0.000 0.718 617 K HN 0.344 nan 8.250 nan 0.000 0.442 618 M N 0.549 120.057 119.600 -0.153 0.000 2.175 618 M HA -0.078 4.393 4.480 -0.014 0.000 0.264 618 M C 2.111 178.347 176.300 -0.106 0.000 1.063 618 M CA 1.371 56.622 55.300 -0.082 0.000 1.119 618 M CB -0.658 31.879 32.600 -0.104 0.000 1.377 618 M HN 0.111 nan 8.290 nan 0.000 0.415 619 I N -0.285 120.183 120.570 -0.171 0.000 2.252 619 I HA -0.296 3.865 4.170 -0.014 0.000 0.245 619 I C 2.272 178.248 176.117 -0.235 0.000 1.102 619 I CA 1.041 62.226 61.300 -0.191 0.000 1.385 619 I CB -0.351 37.541 38.000 -0.180 0.000 1.064 619 I HN 0.163 nan 8.210 nan 0.000 0.414 620 I N 0.694 121.103 120.570 -0.268 0.000 2.163 620 I HA -0.314 3.848 4.170 -0.014 0.000 0.243 620 I C 2.619 178.435 176.117 -0.502 0.000 1.085 620 I CA 1.313 62.340 61.300 -0.456 0.000 1.347 620 I CB -0.343 37.366 38.000 -0.485 0.000 1.044 620 I HN 0.159 nan 8.210 nan 0.000 0.408 621 K N 1.482 121.610 120.400 -0.453 0.000 2.063 621 K HA -0.170 4.141 4.320 -0.014 0.000 0.208 621 K C 2.060 178.493 176.600 -0.278 0.000 1.048 621 K CA 1.524 57.474 56.287 -0.563 0.000 0.928 621 K CB -0.624 31.288 32.500 -0.979 0.000 0.713 621 K HN 0.219 nan 8.250 nan 0.000 0.442 622 L N 0.468 121.549 121.223 -0.237 0.000 2.012 622 L HA -0.186 4.146 4.340 -0.014 0.000 0.210 622 L C 2.183 178.808 176.870 -0.408 0.000 1.073 622 L CA 1.859 56.391 54.840 -0.514 0.000 0.748 622 L CB -0.407 41.255 42.059 -0.662 0.000 0.891 622 L HN 0.283 nan 8.230 nan 0.000 0.431 623 I N 0.022 120.401 120.570 -0.319 0.000 2.127 623 I HA -0.359 3.803 4.170 -0.014 0.000 0.241 623 I C 2.686 178.686 176.117 -0.195 0.000 1.075 623 I CA 2.040 63.206 61.300 -0.224 0.000 1.334 623 I CB -0.610 37.332 38.000 -0.097 0.000 1.040 623 I HN 0.431 nan 8.210 nan 0.000 0.405 624 T N -0.697 113.714 114.554 -0.238 0.000 2.788 624 T HA -0.143 4.199 4.350 -0.014 0.000 0.268 624 T C 1.979 176.606 174.700 -0.121 0.000 1.044 624 T CA 1.071 63.067 62.100 -0.174 0.000 1.139 624 T CB -0.571 68.155 68.868 -0.236 0.000 0.867 624 T HN 0.350 nan 8.240 nan 0.000 0.454 625 A N 1.559 124.305 122.820 -0.122 0.000 1.902 625 A HA 0.112 4.423 4.320 -0.014 0.000 0.217 625 A C 2.397 179.991 177.584 0.015 0.000 1.181 625 A CA 1.456 53.492 52.037 -0.001 0.000 0.623 625 A CB -0.820 18.272 19.000 0.153 0.000 0.818 625 A HN 0.623 nan 8.150 nan 0.000 0.443 626 I N -0.320 120.146 120.570 -0.173 0.000 2.179 626 I HA -0.184 3.978 4.170 -0.014 0.000 0.242 626 I C 2.748 178.808 176.117 -0.095 0.000 1.088 626 I CA 1.089 62.261 61.300 -0.213 0.000 1.357 626 I CB -0.771 36.981 38.000 -0.413 0.000 1.051 626 I HN 0.376 nan 8.210 nan 0.000 0.409 627 G N 0.648 109.385 108.800 -0.106 0.000 2.476 627 G HA2 -0.302 3.650 3.960 -0.014 0.000 0.218 627 G HA3 -0.302 3.650 3.960 -0.014 0.000 0.218 627 G C 1.285 176.130 174.900 -0.091 0.000 1.164 627 G CA 1.224 46.266 45.100 -0.097 0.000 0.768 627 G HN 0.280 nan 8.290 nan 0.000 0.560 628 D N -0.100 120.291 120.400 -0.015 0.000 2.133 628 D HA -0.104 4.527 4.640 -0.014 0.000 0.195 628 D C 2.720 179.085 176.300 0.109 0.000 0.997 628 D CA 0.934 54.984 54.000 0.083 0.000 0.840 628 D CB -0.295 40.558 40.800 0.088 0.000 0.947 628 D HN 0.244 nan 8.370 nan 0.000 0.452 629 V N -0.020 119.923 119.914 0.049 0.000 2.302 629 V HA -0.135 3.976 4.120 -0.014 0.000 0.243 629 V C 2.583 178.626 176.094 -0.084 0.000 1.036 629 V CA 0.768 63.062 62.300 -0.010 0.000 1.020 629 V CB -0.250 31.561 31.823 -0.020 0.000 0.657 629 V HN 0.033 nan 8.190 nan 0.000 0.453 630 V N 0.892 120.704 119.914 -0.169 0.000 2.358 630 V HA -0.199 3.913 4.120 -0.014 0.000 0.246 630 V C 2.165 178.214 176.094 -0.075 0.000 1.047 630 V CA 2.023 64.233 62.300 -0.150 0.000 1.035 630 V CB -0.832 30.902 31.823 -0.149 0.000 0.658 630 V HN 0.561 nan 8.190 nan 0.000 0.452 631 N N -0.348 118.229 118.700 -0.205 0.000 2.512 631 N HA -0.080 4.652 4.740 -0.014 0.000 0.183 631 N C 1.118 176.385 175.510 -0.405 0.000 1.073 631 N CA 0.910 53.762 53.050 -0.330 0.000 0.911 631 N CB -0.270 37.940 38.487 -0.463 0.000 0.964 631 N HN 0.704 nan 8.380 nan 0.000 0.447 632 H N -1.666 117.412 119.070 0.013 0.000 2.662 632 H HA 0.213 4.760 4.556 -0.014 0.000 0.268 632 H C -0.602 174.746 175.328 0.033 0.000 1.152 632 H CA -0.531 55.523 56.048 0.011 0.000 1.072 632 H CB 0.661 30.419 29.762 -0.008 0.000 1.660 632 H HN -0.035 nan 8.280 nan 0.000 0.584 633 D N 1.821 122.303 120.400 0.137 0.000 2.316 633 D HA 0.048 4.679 4.640 -0.014 0.000 0.245 633 D C -1.617 174.747 176.300 0.106 0.000 1.171 633 D CA -2.090 52.002 54.000 0.154 0.000 0.856 633 D CB 1.759 42.726 40.800 0.279 0.000 1.090 633 D HN 0.109 nan 8.370 nan 0.000 0.476 634 P HA -0.115 nan 4.420 nan 0.000 0.217 634 P C 1.633 178.958 177.300 0.042 0.000 1.150 634 P CA 0.351 63.483 63.100 0.054 0.000 0.832 634 P CB 0.426 32.151 31.700 0.041 0.000 0.787 635 V N -0.334 119.603 119.914 0.038 0.000 2.343 635 V HA -0.201 3.911 4.120 -0.014 0.000 0.247 635 V C 2.495 178.594 176.094 0.009 0.000 1.051 635 V CA 1.666 63.974 62.300 0.013 0.000 1.036 635 V CB -1.173 30.644 31.823 -0.009 0.000 0.654 635 V HN -0.030 nan 8.190 nan 0.000 0.451 636 V N -0.191 119.744 119.914 0.035 0.000 2.332 636 V HA -0.012 4.100 4.120 -0.014 0.000 0.248 636 V C 1.809 177.916 176.094 0.021 0.000 1.055 636 V CA 1.888 64.209 62.300 0.035 0.000 1.038 636 V CB -1.360 30.528 31.823 0.108 0.000 0.651 636 V HN 0.799 nan 8.190 nan 0.000 0.450 637 G N 1.234 110.053 108.800 0.031 0.000 2.523 637 G HA2 -0.335 3.617 3.960 -0.014 0.000 0.271 637 G HA3 -0.335 3.617 3.960 -0.014 0.000 0.271 637 G C 0.128 175.043 174.900 0.025 0.000 1.146 637 G CA 0.433 45.549 45.100 0.027 0.000 0.961 637 G HN 0.741 nan 8.290 nan 0.000 0.549 638 D N 0.078 120.492 120.400 0.024 0.000 2.593 638 D HA 0.299 4.930 4.640 -0.014 0.000 0.241 638 D C 1.627 177.933 176.300 0.010 0.000 1.257 638 D CA -0.081 53.934 54.000 0.025 0.000 0.828 638 D CB -0.000 40.826 40.800 0.044 0.000 1.049 638 D HN 0.601 nan 8.370 nan 0.000 0.490 639 R N -0.606 119.888 120.500 -0.011 0.000 2.161 639 R HA 0.225 4.557 4.340 -0.014 0.000 0.213 639 R C -0.063 176.205 176.300 -0.054 0.000 1.055 639 R CA 0.282 56.352 56.100 -0.050 0.000 0.996 639 R CB 0.285 30.536 30.300 -0.082 0.000 0.901 639 R HN 0.135 nan 8.270 nan 0.000 0.456 640 L N 0.551 121.759 121.223 -0.025 0.000 2.464 640 L HA 0.421 4.753 4.340 -0.014 0.000 0.266 640 L C -1.570 175.289 176.870 -0.019 0.000 0.965 640 L CA -0.559 54.265 54.840 -0.026 0.000 0.833 640 L CB 1.914 43.967 42.059 -0.010 0.000 1.296 640 L HN -0.178 nan 8.230 nan 0.000 0.405 641 R N 3.862 124.340 120.500 -0.036 0.000 2.621 641 R HA 0.727 5.059 4.340 -0.014 0.000 0.284 641 R C -1.713 174.546 176.300 -0.068 0.000 0.998 641 R CA -0.750 55.320 56.100 -0.051 0.000 0.895 641 R CB 2.350 32.627 30.300 -0.039 0.000 1.195 641 R HN 0.428 nan 8.270 nan 0.000 0.450 642 V N 4.865 124.731 119.914 -0.079 0.000 2.350 642 V HA 0.486 4.597 4.120 -0.014 0.000 0.285 642 V C -0.192 175.864 176.094 -0.063 0.000 1.014 642 V CA -0.714 61.540 62.300 -0.077 0.000 0.831 642 V CB 1.518 33.288 31.823 -0.088 0.000 1.000 642 V HN 0.533 nan 8.190 nan 0.000 0.433 643 I N 4.912 125.448 120.570 -0.057 0.000 2.436 643 I HA 0.437 4.598 4.170 -0.014 0.000 0.289 643 I C -0.614 175.500 176.117 -0.006 0.000 1.010 643 I CA -0.326 60.951 61.300 -0.038 0.000 1.098 643 I CB 1.838 39.797 38.000 -0.070 0.000 1.266 643 I HN 0.554 nan 8.210 nan 0.000 0.434 644 F N 7.207 127.096 119.950 -0.102 0.000 2.404 644 F HA 0.454 4.973 4.527 -0.014 0.000 0.358 644 F C -0.505 175.236 175.800 -0.099 0.000 1.120 644 F CA -0.656 57.286 58.000 -0.098 0.000 1.144 644 F CB 0.638 39.582 39.000 -0.094 0.000 1.133 644 F HN 0.157 nan 8.300 nan 0.000 0.495 645 L N 6.154 126.984 121.223 -0.656 0.000 2.407 645 L HA 0.147 4.479 4.340 -0.014 0.000 0.282 645 L C 0.277 176.880 176.870 -0.445 0.000 1.110 645 L CA 0.124 54.701 54.840 -0.439 0.000 0.863 645 L CB 0.102 41.981 42.059 -0.300 0.000 1.207 645 L HN 0.612 nan 8.230 nan 0.000 0.454 646 E N 3.505 123.581 120.200 -0.206 0.000 2.373 646 E HA -0.010 4.331 4.350 -0.014 0.000 0.267 646 E C 0.451 177.105 176.600 0.091 0.000 1.032 646 E CA -0.271 56.148 56.400 0.032 0.000 0.889 646 E CB 0.328 30.047 29.700 0.031 0.000 0.984 646 E HN 0.538 nan 8.360 nan 0.000 0.425 647 N N 2.579 121.395 118.700 0.193 0.000 2.727 647 N HA -0.276 4.455 4.740 -0.014 0.000 0.251 647 N C -1.586 174.031 175.510 0.178 0.000 1.040 647 N CA 0.530 53.700 53.050 0.198 0.000 0.712 647 N CB -1.583 37.034 38.487 0.218 0.000 0.912 647 N HN 0.500 nan 8.380 nan 0.000 0.545 648 Y N 1.556 121.873 120.300 0.028 0.000 2.712 648 Y HA 0.209 4.750 4.550 -0.014 0.000 0.333 648 Y C 1.177 177.106 175.900 0.048 0.000 1.225 648 Y CA 0.733 58.837 58.100 0.006 0.000 1.499 648 Y CB 0.375 38.807 38.460 -0.047 0.000 1.288 648 Y HN 0.410 nan 8.280 nan 0.000 0.575 649 R N 2.220 122.369 120.500 -0.585 0.000 2.764 649 R HA 0.377 4.709 4.340 -0.014 0.000 0.276 649 R C -0.591 175.373 176.300 -0.560 0.000 1.021 649 R CA -0.543 55.311 56.100 -0.410 0.000 0.870 649 R CB 0.211 30.474 30.300 -0.060 0.000 1.293 649 R HN 0.367 nan 8.270 nan 0.000 0.469 650 V N 1.126 120.726 119.914 -0.523 0.000 2.255 650 V HA -0.300 3.812 4.120 -0.014 0.000 0.247 650 V C 2.632 178.592 176.094 -0.223 0.000 1.051 650 V CA 2.886 64.949 62.300 -0.395 0.000 1.018 650 V CB -0.870 30.672 31.823 -0.470 0.000 0.641 650 V HN 0.926 nan 8.190 nan 0.000 0.445 651 S N 0.149 115.743 115.700 -0.177 0.000 2.383 651 S HA -0.219 4.242 4.470 -0.014 0.000 0.229 651 S C 1.957 176.504 174.600 -0.088 0.000 1.030 651 S CA 1.874 60.001 58.200 -0.123 0.000 1.002 651 S CB -0.625 62.535 63.200 -0.068 0.000 0.829 651 S HN 0.393 nan 8.310 nan 0.000 0.467 652 L N 1.976 123.161 121.223 -0.064 0.000 2.109 652 L HA 0.253 4.584 4.340 -0.014 0.000 0.207 652 L C 2.764 179.654 176.870 0.032 0.000 1.086 652 L CA 1.475 56.322 54.840 0.011 0.000 0.760 652 L CB -1.208 40.919 42.059 0.113 0.000 0.910 652 L HN 0.369 nan 8.230 nan 0.000 0.437 653 A N -0.648 122.167 122.820 -0.009 0.000 1.917 653 A HA -0.274 4.037 4.320 -0.014 0.000 0.219 653 A C 2.135 179.784 177.584 0.110 0.000 1.182 653 A CA 2.040 54.147 52.037 0.115 0.000 0.633 653 A CB -0.673 18.391 19.000 0.106 0.000 0.819 653 A HN 0.611 nan 8.150 nan 0.000 0.448 654 E N -0.598 119.633 120.200 0.052 0.000 2.338 654 E HA -0.149 4.193 4.350 -0.014 0.000 0.197 654 E C 1.880 178.448 176.600 -0.054 0.000 1.007 654 E CA 1.152 57.538 56.400 -0.024 0.000 0.849 654 E CB -0.037 29.552 29.700 -0.185 0.000 0.774 654 E HN 0.645 nan 8.360 nan 0.000 0.506 655 K N -0.136 120.221 120.400 -0.071 0.000 2.141 655 K HA 0.015 4.327 4.320 -0.014 0.000 0.202 655 K C 2.076 178.536 176.600 -0.233 0.000 1.045 655 K CA 0.632 56.872 56.287 -0.078 0.000 0.971 655 K CB 0.336 32.793 32.500 -0.071 0.000 0.795 655 K HN -0.063 nan 8.250 nan 0.000 0.459 656 V N 1.750 121.435 119.914 -0.381 0.000 2.407 656 V HA -0.163 3.949 4.120 -0.014 0.000 0.245 656 V C 2.172 178.046 176.094 -0.367 0.000 1.041 656 V CA 1.315 63.174 62.300 -0.735 0.000 1.040 656 V CB -0.464 31.044 31.823 -0.524 0.000 0.671 656 V HN 0.225 nan 8.190 nan 0.000 0.455 657 I N 0.610 121.013 120.570 -0.279 0.000 2.127 657 I HA -0.172 3.989 4.170 -0.014 0.000 0.241 657 I C -0.184 175.832 176.117 -0.168 0.000 1.075 657 I CA 1.862 62.928 61.300 -0.390 0.000 1.334 657 I CB -1.440 36.198 38.000 -0.604 0.000 1.040 657 I HN 0.357 nan 8.210 nan 0.000 0.405 658 P HA -0.116 nan 4.420 nan 0.000 0.225 658 P C 0.932 178.239 177.300 0.012 0.000 1.148 658 P CA 1.246 64.333 63.100 -0.022 0.000 0.779 658 P CB -0.003 31.691 31.700 -0.010 0.000 0.780 659 A N -1.078 121.733 122.820 -0.015 0.000 2.238 659 A HA 0.448 4.759 4.320 -0.014 0.000 0.210 659 A C 1.211 178.916 177.584 0.201 0.000 1.179 659 A CA 0.166 52.255 52.037 0.086 0.000 0.827 659 A CB -0.680 18.367 19.000 0.079 0.000 0.856 659 A HN 0.207 nan 8.150 nan 0.000 0.488 660 A N -0.029 122.897 122.820 0.178 0.000 2.354 660 A HA 0.469 4.781 4.320 -0.014 0.000 0.269 660 A C 0.346 178.080 177.584 0.250 0.000 1.109 660 A CA -0.191 52.007 52.037 0.270 0.000 0.800 660 A CB 0.345 19.592 19.000 0.412 0.000 1.045 660 A HN 0.271 nan 8.150 nan 0.000 0.489 661 D N 0.582 121.126 120.400 0.239 0.000 2.323 661 D HA 0.109 4.741 4.640 -0.014 0.000 0.218 661 D C 0.085 176.599 176.300 0.357 0.000 0.973 661 D CA 0.794 54.988 54.000 0.322 0.000 0.890 661 D CB 0.280 41.169 40.800 0.149 0.000 1.011 661 D HN 0.369 nan 8.370 nan 0.000 0.499 662 L N 1.046 122.360 121.223 0.151 0.000 2.356 662 L HA 0.284 4.615 4.340 -0.014 0.000 0.277 662 L C -0.794 175.958 176.870 -0.197 0.000 0.996 662 L CA -0.328 54.528 54.840 0.028 0.000 0.822 662 L CB 2.100 44.152 42.059 -0.012 0.000 1.256 662 L HN -0.189 nan 8.230 nan 0.000 0.413 663 S N 4.385 119.886 115.700 -0.332 0.000 2.422 663 S HA 0.314 4.776 4.470 -0.014 0.000 0.308 663 S C -0.369 173.977 174.600 -0.424 0.000 1.097 663 S CA -0.690 57.075 58.200 -0.725 0.000 1.099 663 S CB 0.583 63.296 63.200 -0.812 0.000 0.976 663 S HN 0.552 nan 8.310 nan 0.000 0.471 664 E N 4.195 124.157 120.200 -0.396 0.000 2.105 664 E HA 0.189 4.531 4.350 -0.014 0.000 0.285 664 E C -0.488 176.012 176.600 -0.166 0.000 1.055 664 E CA -0.366 55.923 56.400 -0.186 0.000 0.843 664 E CB 0.881 30.501 29.700 -0.133 0.000 1.067 664 E HN 0.610 nan 8.360 nan 0.000 0.398 665 Q N 2.782 122.539 119.800 -0.072 0.000 2.965 665 Q HA 0.265 4.596 4.340 -0.014 0.000 0.288 665 Q C 0.566 176.556 176.000 -0.016 0.000 0.974 665 Q CA -0.121 55.648 55.803 -0.057 0.000 0.849 665 Q CB 0.178 28.891 28.738 -0.043 0.000 1.280 665 Q HN 0.612 nan 8.270 nan 0.000 0.441 666 I N -1.749 118.799 120.570 -0.036 0.000 3.654 666 I HA 0.284 4.445 4.170 -0.014 0.000 0.337 666 I C 0.380 176.450 176.117 -0.078 0.000 1.568 666 I CA -0.698 60.590 61.300 -0.020 0.000 1.115 666 I CB 0.469 38.465 38.000 -0.008 0.000 1.300 666 I HN -0.019 nan 8.210 nan 0.000 0.471 667 S N 0.347 116.004 115.700 -0.072 0.000 2.573 667 S HA 0.181 4.642 4.470 -0.014 0.000 0.277 667 S C 0.583 175.167 174.600 -0.026 0.000 1.346 667 S CA -0.261 57.921 58.200 -0.030 0.000 1.034 667 S CB 0.303 63.539 63.200 0.060 0.000 0.879 667 S HN 0.401 nan 8.310 nan 0.000 0.528 668 T N 2.669 117.241 114.554 0.029 0.000 2.902 668 T HA 0.372 4.713 4.350 -0.014 0.000 0.301 668 T C 0.724 175.429 174.700 0.008 0.000 1.012 668 T CA 0.248 62.367 62.100 0.032 0.000 1.151 668 T CB -0.001 68.954 68.868 0.144 0.000 0.946 668 T HN 1.000 nan 8.240 nan 0.000 0.542 669 A N 2.705 125.499 122.820 -0.042 0.000 2.566 669 A HA 0.470 4.781 4.320 -0.014 0.000 0.245 669 A C 1.604 179.175 177.584 -0.021 0.000 1.056 669 A CA 0.252 52.260 52.037 -0.049 0.000 0.757 669 A CB -0.881 18.076 19.000 -0.071 0.000 0.979 669 A HN 1.687 nan 8.150 nan 0.000 0.508 670 G N 1.471 110.258 108.800 -0.022 0.000 2.176 670 G HA2 -0.220 3.732 3.960 -0.014 0.000 0.232 670 G HA3 -0.220 3.732 3.960 -0.014 0.000 0.232 670 G C 0.787 175.667 174.900 -0.033 0.000 0.986 670 G CA 1.069 46.157 45.100 -0.020 0.000 0.643 670 G HN 1.944 nan 8.290 nan 0.000 0.522 671 T N -2.639 111.889 114.554 -0.044 0.000 2.999 671 T HA 0.417 4.758 4.350 -0.014 0.000 0.247 671 T C 0.704 175.221 174.700 -0.306 0.000 1.012 671 T CA 1.023 63.024 62.100 -0.166 0.000 1.048 671 T CB 0.603 69.415 68.868 -0.093 0.000 1.020 671 T HN 0.271 nan 8.240 nan 0.000 0.478 672 E N 1.513 121.672 120.200 -0.069 0.000 2.044 672 E HA 0.676 5.017 4.350 -0.014 0.000 0.282 672 E C 1.129 177.680 176.600 -0.081 0.000 1.031 672 E CA 0.041 56.451 56.400 0.018 0.000 0.824 672 E CB 0.865 30.643 29.700 0.131 0.000 1.076 672 E HN 0.338 nan 8.360 nan 0.000 0.395 673 A N 3.423 126.130 122.820 -0.189 0.000 1.892 673 A HA -0.202 4.109 4.320 -0.014 0.000 0.218 673 A C 1.977 179.443 177.584 -0.197 0.000 1.188 673 A CA 2.242 54.055 52.037 -0.373 0.000 0.631 673 A CB -0.273 18.275 19.000 -0.753 0.000 0.822 673 A HN 0.606 nan 8.150 nan 0.000 0.447 674 S N -3.771 111.863 115.700 -0.110 0.000 3.624 674 S HA 0.453 4.915 4.470 -0.014 0.000 0.244 674 S C 0.735 175.318 174.600 -0.029 0.000 1.115 674 S CA 1.455 59.630 58.200 -0.041 0.000 0.820 674 S CB -0.127 63.067 63.200 -0.010 0.000 0.964 674 S HN 2.269 nan 8.310 nan 0.000 0.508 675 G N 0.338 109.127 108.800 -0.019 0.000 2.722 675 G HA2 -0.062 3.890 3.960 -0.014 0.000 0.686 675 G HA3 -0.062 3.890 3.960 -0.014 0.000 0.686 675 G C 0.249 175.124 174.900 -0.042 0.000 1.282 675 G CA 0.445 45.532 45.100 -0.023 0.000 0.817 675 G HN 1.322 nan 8.290 nan 0.000 0.605 676 T N -1.849 112.667 114.554 -0.064 0.000 2.992 676 T HA 0.382 4.724 4.350 -0.014 0.000 0.255 676 T C 2.387 176.981 174.700 -0.176 0.000 0.938 676 T CA 1.246 63.280 62.100 -0.111 0.000 0.895 676 T CB 0.289 69.084 68.868 -0.121 0.000 1.221 676 T HN 1.893 nan 8.240 nan 0.000 0.512 677 G N 3.201 111.924 108.800 -0.128 0.000 2.440 677 G HA2 -0.291 3.661 3.960 -0.014 0.000 0.218 677 G HA3 -0.291 3.661 3.960 -0.014 0.000 0.218 677 G C 1.459 176.401 174.900 0.071 0.000 1.154 677 G CA 1.241 46.287 45.100 -0.090 0.000 0.767 677 G HN 0.835 nan 8.290 nan 0.000 0.552 678 N N -0.073 118.654 118.700 0.045 0.000 2.094 678 N HA -0.115 4.617 4.740 -0.014 0.000 0.191 678 N C 1.446 176.960 175.510 0.006 0.000 1.023 678 N CA 0.709 53.787 53.050 0.047 0.000 0.857 678 N CB -0.352 38.113 38.487 -0.036 0.000 1.013 678 N HN 0.345 nan 8.380 nan 0.000 0.426 682 M N 0.262 119.944 119.600 0.136 0.000 2.108 682 M HA -0.171 4.301 4.480 -0.014 0.000 0.261 682 M C 1.950 178.300 176.300 0.083 0.000 1.066 682 M CA 1.833 57.181 55.300 0.080 0.000 1.107 682 M CB -0.080 32.571 32.600 0.084 0.000 1.356 682 M HN 0.309 nan 8.290 nan 0.000 0.406 683 L N 0.498 121.770 121.223 0.081 0.000 2.291 683 L HA -0.055 4.277 4.340 -0.014 0.000 0.214 683 L C 1.271 178.184 176.870 0.072 0.000 1.120 683 L CA 1.531 56.425 54.840 0.090 0.000 0.799 683 L CB -0.528 41.593 42.059 0.104 0.000 0.925 683 L HN 0.331 nan 8.230 nan 0.000 0.446 684 N N -0.384 118.351 118.700 0.058 0.000 2.214 684 N HA 0.186 4.917 4.740 -0.014 0.000 0.214 684 N C 0.834 176.382 175.510 0.063 0.000 1.132 684 N CA 0.782 53.862 53.050 0.049 0.000 0.856 684 N CB 0.701 39.196 38.487 0.013 0.000 1.020 684 N HN 0.363 nan 8.380 nan 0.000 0.509 685 G N 0.575 109.415 108.800 0.068 0.000 2.142 685 G HA2 -0.190 3.761 3.960 -0.014 0.000 0.225 685 G HA3 -0.190 3.761 3.960 -0.014 0.000 0.225 685 G C -0.007 174.961 174.900 0.114 0.000 1.015 685 G CA 0.107 45.247 45.100 0.068 0.000 0.716 685 G HN 0.510 nan 8.290 nan 0.000 0.508 686 A N -0.270 122.623 122.820 0.122 0.000 2.312 686 A HA 0.881 5.192 4.320 -0.014 0.000 0.328 686 A C 0.392 177.962 177.584 -0.024 0.000 1.158 686 A CA -0.591 51.531 52.037 0.142 0.000 0.821 686 A CB 0.981 20.126 19.000 0.241 0.000 1.170 686 A HN 0.715 nan 8.150 nan 0.000 0.490 687 L N 0.811 121.982 121.223 -0.087 0.000 2.379 687 L HA 0.446 4.778 4.340 -0.014 0.000 0.269 687 L C 0.126 176.870 176.870 -0.210 0.000 1.084 687 L CA -0.347 54.330 54.840 -0.272 0.000 0.802 687 L CB 1.621 43.427 42.059 -0.421 0.000 1.175 687 L HN 0.680 nan 8.230 nan 0.000 0.448 688 T N 3.030 117.357 114.554 -0.380 0.000 2.770 688 T HA 0.416 4.758 4.350 -0.014 0.000 0.283 688 T C -0.310 174.366 174.700 -0.039 0.000 0.988 688 T CA -0.230 61.686 62.100 -0.306 0.000 0.957 688 T CB 1.201 69.762 68.868 -0.512 0.000 0.930 688 T HN 0.341 nan 8.240 nan 0.000 0.443 689 I N 3.464 124.066 120.570 0.054 0.000 2.304 689 I HA 0.672 4.834 4.170 -0.014 0.000 0.291 689 I C 0.207 176.492 176.117 0.281 0.000 1.018 689 I CA 0.137 61.565 61.300 0.214 0.000 1.260 689 I CB 0.117 38.167 38.000 0.083 0.000 1.390 689 I HN 0.749 nan 8.210 nan 0.000 0.475 690 G N 4.097 113.121 108.800 0.374 0.000 2.677 690 G HA2 0.482 4.433 3.960 -0.014 0.000 0.291 690 G HA3 0.482 4.433 3.960 -0.014 0.000 0.291 690 G C -0.831 174.021 174.900 -0.080 0.000 1.435 690 G CA -0.486 44.734 45.100 0.200 0.000 0.826 690 G HN 0.565 nan 8.290 nan 0.000 0.491 691 T N -1.211 113.155 114.554 -0.314 0.000 2.816 691 T HA 0.474 4.816 4.350 -0.014 0.000 0.282 691 T C 0.768 175.346 174.700 -0.202 0.000 0.993 691 T CA -0.680 61.151 62.100 -0.449 0.000 0.994 691 T CB 1.078 69.693 68.868 -0.422 0.000 1.025 691 T HN 0.241 nan 8.240 nan 0.000 0.529 692 M N 2.826 122.319 119.600 -0.180 0.000 3.442 692 M HA 0.312 4.784 4.480 -0.014 0.000 0.232 692 M C -0.448 175.797 176.300 -0.092 0.000 1.508 692 M CA -0.040 55.193 55.300 -0.112 0.000 1.647 692 M CB -1.800 30.743 32.600 -0.095 0.000 1.126 692 M HN 0.719 nan 8.290 nan 0.000 0.557 693 D N -0.143 120.209 120.400 -0.081 0.000 2.601 693 D HA 0.678 5.310 4.640 -0.014 0.000 0.230 693 D C 0.743 177.018 176.300 -0.042 0.000 1.106 693 D CA 0.705 54.671 54.000 -0.056 0.000 0.873 693 D CB 1.758 42.526 40.800 -0.053 0.000 1.515 693 D HN 0.590 nan 8.370 nan 0.000 0.468 694 G N 1.686 110.471 108.800 -0.026 0.000 2.627 694 G HA2 -0.264 3.688 3.960 -0.014 0.000 0.312 694 G HA3 -0.264 3.688 3.960 -0.014 0.000 0.312 694 G C 1.000 175.888 174.900 -0.021 0.000 1.299 694 G CA 1.153 46.241 45.100 -0.019 0.000 0.989 694 G HN 1.021 nan 8.290 nan 0.000 0.547 695 A N -0.272 122.528 122.820 -0.034 0.000 2.206 695 A HA 0.136 4.448 4.320 -0.014 0.000 0.211 695 A C 2.085 179.600 177.584 -0.116 0.000 1.158 695 A CA 1.673 53.681 52.037 -0.048 0.000 0.761 695 A CB -0.409 18.549 19.000 -0.070 0.000 0.801 695 A HN 0.613 nan 8.150 nan 0.000 0.473 696 N N 0.624 119.266 118.700 -0.096 0.000 2.137 696 N HA -0.160 4.572 4.740 -0.014 0.000 0.190 696 N C 1.585 176.991 175.510 -0.172 0.000 1.017 696 N CA 1.621 54.613 53.050 -0.096 0.000 0.859 696 N CB -0.609 37.860 38.487 -0.030 0.000 1.002 696 N HN 0.305 nan 8.380 nan 0.000 0.428 697 V N 1.290 121.134 119.914 -0.116 0.000 2.295 697 V HA -0.206 3.906 4.120 -0.014 0.000 0.246 697 V C 1.979 178.007 176.094 -0.110 0.000 1.049 697 V CA 1.692 63.924 62.300 -0.114 0.000 1.024 697 V CB -0.480 31.304 31.823 -0.064 0.000 0.648 697 V HN 0.347 nan 8.190 nan 0.000 0.447 698 E N -0.583 119.601 120.200 -0.026 0.000 2.158 698 E HA -0.116 4.226 4.350 -0.014 0.000 0.191 698 E C 2.213 178.915 176.600 0.171 0.000 0.982 698 E CA 0.977 57.434 56.400 0.095 0.000 0.823 698 E CB -0.186 29.654 29.700 0.234 0.000 0.766 698 E HN 0.530 nan 8.360 nan 0.000 0.468 699 M N 0.570 120.159 119.600 -0.019 0.000 2.086 699 M HA -0.156 4.316 4.480 -0.014 0.000 0.261 699 M C 2.482 178.470 176.300 -0.519 0.000 1.067 699 M CA 1.631 56.834 55.300 -0.161 0.000 1.116 699 M CB -0.192 32.218 32.600 -0.316 0.000 1.348 699 M HN 0.148 nan 8.290 nan 0.000 0.407 700 A N -0.285 121.970 122.820 -0.942 0.000 1.930 700 A HA -0.188 4.123 4.320 -0.014 0.000 0.217 700 A C 1.974 179.302 177.584 -0.427 0.000 1.175 700 A CA 1.754 53.124 52.037 -1.112 0.000 0.627 700 A CB -0.751 17.735 19.000 -0.856 0.000 0.815 700 A HN 0.582 nan 8.150 nan 0.000 0.443 701 E N -0.199 119.851 120.200 -0.251 0.000 2.077 701 E HA -0.227 4.115 4.350 -0.014 0.000 0.193 701 E C 1.735 178.289 176.600 -0.076 0.000 0.989 701 E CA 1.338 57.665 56.400 -0.122 0.000 0.800 701 E CB -0.089 29.566 29.700 -0.074 0.000 0.746 701 E HN 0.550 nan 8.360 nan 0.000 0.452 702 E N 0.092 120.271 120.200 -0.036 0.000 2.072 702 E HA -0.135 4.207 4.350 -0.014 0.000 0.191 702 E C 1.877 178.490 176.600 0.020 0.000 0.985 702 E CA 1.151 57.558 56.400 0.012 0.000 0.801 702 E CB -0.177 29.578 29.700 0.092 0.000 0.750 702 E HN 0.379 nan 8.360 nan 0.000 0.452 703 A N 0.402 123.237 122.820 0.025 0.000 2.072 703 A HA 0.322 4.633 4.320 -0.014 0.000 0.216 703 A C 1.065 178.669 177.584 0.033 0.000 1.156 703 A CA 1.087 53.171 52.037 0.079 0.000 0.701 703 A CB -0.038 19.107 19.000 0.241 0.000 0.816 703 A HN 0.255 nan 8.150 nan 0.000 0.458 704 G N -0.554 108.230 108.800 -0.027 0.000 3.039 704 G HA2 -0.111 3.841 3.960 -0.014 0.000 0.686 704 G HA3 -0.111 3.841 3.960 -0.014 0.000 0.686 704 G C -0.001 174.879 174.900 -0.034 0.000 1.066 704 G CA 0.014 45.094 45.100 -0.033 0.000 0.774 704 G HN 0.262 nan 8.290 nan 0.000 0.591 705 E N 0.994 121.159 120.200 -0.058 0.000 2.209 705 E HA -0.163 4.179 4.350 -0.014 0.000 0.196 705 E C 2.073 178.661 176.600 -0.021 0.000 0.993 705 E CA 1.712 58.086 56.400 -0.045 0.000 0.819 705 E CB 0.075 29.747 29.700 -0.046 0.000 0.745 705 E HN 0.794 nan 8.360 nan 0.000 0.477 706 E N 0.731 120.909 120.200 -0.036 0.000 2.265 706 E HA -0.110 4.231 4.350 -0.014 0.000 0.196 706 E C 1.029 177.551 176.600 -0.130 0.000 0.996 706 E CA 0.700 57.060 56.400 -0.067 0.000 0.832 706 E CB -0.020 29.652 29.700 -0.046 0.000 0.756 706 E HN 0.155 nan 8.360 nan 0.000 0.491 707 N N -0.364 118.292 118.700 -0.073 0.000 2.235 707 N HA 0.138 4.870 4.740 -0.014 0.000 0.209 707 N C -0.886 174.546 175.510 -0.131 0.000 1.122 707 N CA 0.135 53.112 53.050 -0.120 0.000 0.845 707 N CB 0.406 38.882 38.487 -0.017 0.000 1.004 707 N HN 0.038 nan 8.380 nan 0.000 0.499 708 F N -0.435 119.283 119.950 -0.386 0.000 2.577 708 F HA 0.420 4.938 4.527 -0.015 0.000 0.318 708 F C -0.446 175.080 175.800 -0.456 0.000 1.065 708 F CA -1.167 56.623 58.000 -0.351 0.000 0.929 708 F CB 1.185 40.095 39.000 -0.150 0.000 1.237 708 F HN -0.216 nan 8.300 nan 0.000 0.468 709 F N 4.027 124.017 119.950 0.067 0.000 2.395 709 F HA 0.421 4.940 4.527 -0.014 0.000 0.347 709 F C -0.297 175.637 175.800 0.222 0.000 1.157 709 F CA -0.573 57.485 58.000 0.097 0.000 1.272 709 F CB -0.327 38.680 39.000 0.011 0.000 1.607 709 F HN 0.028 nan 8.300 nan 0.000 0.571 710 I N 3.417 124.179 120.570 0.320 0.000 2.474 710 I HA 0.348 4.510 4.170 -0.014 0.000 0.287 710 I C -0.065 176.235 176.117 0.305 0.000 1.048 710 I CA -0.400 61.049 61.300 0.249 0.000 1.383 710 I CB 0.302 38.367 38.000 0.109 0.000 1.412 710 I HN 0.326 nan 8.210 nan 0.000 0.531 711 F N 2.913 122.923 119.950 0.101 0.000 2.685 711 F HA 0.962 5.480 4.527 -0.014 0.000 0.315 711 F C 0.141 175.977 175.800 0.061 0.000 1.126 711 F CA -0.734 57.318 58.000 0.086 0.000 0.950 711 F CB 0.944 40.011 39.000 0.111 0.000 1.360 711 F HN 0.880 nan 8.300 nan 0.000 0.469 712 G N 0.870 109.726 108.800 0.094 0.000 2.728 712 G HA2 -0.080 3.872 3.960 -0.014 0.000 0.294 712 G HA3 -0.080 3.872 3.960 -0.014 0.000 0.294 712 G C -0.902 173.965 174.900 -0.055 0.000 1.342 712 G CA -0.615 44.480 45.100 -0.008 0.000 0.866 712 G HN 0.946 nan 8.290 nan 0.000 0.534 713 M N 0.895 120.472 119.600 -0.039 0.000 2.249 713 M HA 0.239 4.710 4.480 -0.014 0.000 0.340 713 M C 1.239 177.499 176.300 -0.066 0.000 1.166 713 M CA -0.015 55.270 55.300 -0.025 0.000 1.115 713 M CB 0.321 32.916 32.600 -0.008 0.000 1.606 713 M HN 0.532 nan 8.290 nan 0.000 0.448 714 R N 1.672 122.148 120.500 -0.041 0.000 2.541 714 R HA 0.255 4.587 4.340 -0.014 0.000 0.263 714 R C 1.240 177.519 176.300 -0.036 0.000 1.112 714 R CA -0.561 55.511 56.100 -0.047 0.000 1.170 714 R CB -0.124 30.156 30.300 -0.033 0.000 1.167 714 R HN 0.571 nan 8.270 nan 0.000 0.582 715 V N 1.755 121.647 119.914 -0.036 0.000 2.324 715 V HA -0.268 3.843 4.120 -0.014 0.000 0.250 715 V C 2.251 178.333 176.094 -0.020 0.000 1.060 715 V CA 2.295 64.578 62.300 -0.029 0.000 1.042 715 V CB -0.571 31.233 31.823 -0.032 0.000 0.650 715 V HN 0.706 nan 8.190 nan 0.000 0.450 716 E N 0.018 120.208 120.200 -0.017 0.000 2.153 716 E HA -0.235 4.107 4.350 -0.014 0.000 0.194 716 E C 1.579 178.181 176.600 0.004 0.000 0.988 716 E CA 1.481 57.877 56.400 -0.008 0.000 0.811 716 E CB -0.597 29.099 29.700 -0.007 0.000 0.746 716 E HN 0.634 nan 8.360 nan 0.000 0.466 717 D N 1.151 121.555 120.400 0.006 0.000 2.183 717 D HA -0.047 4.585 4.640 -0.014 0.000 0.203 717 D C 2.193 178.508 176.300 0.025 0.000 0.969 717 D CA 0.685 54.699 54.000 0.024 0.000 0.842 717 D CB 0.155 40.973 40.800 0.029 0.000 0.957 717 D HN 0.083 nan 8.370 nan 0.000 0.484 718 V N 1.999 121.915 119.914 0.004 0.000 2.307 718 V HA -0.199 3.913 4.120 -0.014 0.000 0.245 718 V C 2.004 178.099 176.094 0.002 0.000 1.045 718 V CA 1.621 63.917 62.300 -0.007 0.000 1.024 718 V CB -0.390 31.419 31.823 -0.024 0.000 0.651 718 V HN 0.029 nan 8.190 nan 0.000 0.449 719 D N 0.056 120.456 120.400 -0.000 0.000 2.116 719 D HA -0.195 4.437 4.640 -0.014 0.000 0.193 719 D C 2.367 178.678 176.300 0.018 0.000 0.998 719 D CA 1.406 55.408 54.000 0.003 0.000 0.836 719 D CB -0.297 40.500 40.800 -0.004 0.000 0.951 719 D HN 0.342 nan 8.370 nan 0.000 0.449 720 R N 0.084 120.599 120.500 0.026 0.000 2.105 720 R HA -0.039 4.293 4.340 -0.014 0.000 0.239 720 R C 2.504 178.839 176.300 0.059 0.000 1.135 720 R CA 0.527 56.651 56.100 0.039 0.000 0.967 720 R CB -0.318 30.007 30.300 0.041 0.000 0.861 720 R HN 0.208 nan 8.270 nan 0.000 0.442 721 L N 0.426 121.692 121.223 0.072 0.000 2.109 721 L HA -0.166 4.165 4.340 -0.014 0.000 0.207 721 L C 1.356 178.293 176.870 0.112 0.000 1.086 721 L CA 1.258 56.169 54.840 0.117 0.000 0.760 721 L CB -0.190 41.954 42.059 0.142 0.000 0.910 721 L HN 0.209 nan 8.230 nan 0.000 0.437 722 D N -0.491 119.948 120.400 0.066 0.000 2.178 722 D HA -0.196 4.436 4.640 -0.014 0.000 0.202 722 D C 2.173 178.504 176.300 0.051 0.000 0.974 722 D CA 1.047 55.078 54.000 0.053 0.000 0.841 722 D CB 0.089 40.900 40.800 0.017 0.000 0.953 722 D HN 0.447 nan 8.370 nan 0.000 0.478 723 Q N 0.024 119.851 119.800 0.044 0.000 2.083 723 Q HA 0.001 4.332 4.340 -0.014 0.000 0.198 723 Q C 2.253 178.279 176.000 0.043 0.000 0.969 723 Q CA 0.784 56.609 55.803 0.037 0.000 0.838 723 Q CB 0.136 28.892 28.738 0.029 0.000 0.900 723 Q HN 0.207 nan 8.270 nan 0.000 0.436 724 R N -0.258 120.275 120.500 0.055 0.000 2.115 724 R HA 0.040 4.371 4.340 -0.014 0.000 0.226 724 R C 0.413 176.751 176.300 0.063 0.000 1.100 724 R CA 0.779 56.913 56.100 0.056 0.000 0.980 724 R CB 0.044 30.382 30.300 0.064 0.000 0.875 724 R HN 0.262 nan 8.270 nan 0.000 0.445 725 G N 0.907 109.760 108.800 0.087 0.000 3.355 725 G HA2 -0.255 3.697 3.960 -0.014 0.000 0.686 725 G HA3 -0.255 3.697 3.960 -0.014 0.000 0.686 725 G C -1.195 173.796 174.900 0.151 0.000 1.097 725 G CA -0.757 44.404 45.100 0.100 0.000 0.881 725 G HN 0.285 nan 8.290 nan 0.000 0.550 726 Y N 3.592 123.924 120.300 0.053 0.000 2.480 726 Y HA 0.470 5.012 4.550 -0.014 0.000 0.341 726 Y C 0.617 176.568 175.900 0.084 0.000 1.031 726 Y CA -0.368 57.782 58.100 0.085 0.000 1.295 726 Y CB 0.731 39.224 38.460 0.056 0.000 1.162 726 Y HN 0.579 nan 8.280 nan 0.000 0.523 727 N N 5.207 123.698 118.700 -0.350 0.000 2.564 727 N HA 0.350 5.082 4.740 -0.014 0.000 0.248 727 N C 0.256 175.505 175.510 -0.434 0.000 0.986 727 N CA 0.198 53.037 53.050 -0.351 0.000 0.921 727 N CB 1.138 39.542 38.487 -0.139 0.000 1.136 727 N HN 0.878 nan 8.380 nan 0.000 0.509 728 A N 2.907 125.372 122.820 -0.592 0.000 1.933 728 A HA -0.222 4.090 4.320 -0.014 0.000 0.218 728 A C 2.008 179.707 177.584 0.191 0.000 1.175 728 A CA 1.313 53.231 52.037 -0.199 0.000 0.628 728 A CB -0.419 18.375 19.000 -0.343 0.000 0.814 728 A HN 0.760 nan 8.150 nan 0.000 0.444 729 Q N 0.301 120.101 119.800 0.000 0.000 2.152 729 Q HA -0.246 4.086 4.340 -0.014 0.000 0.206 729 Q C 1.882 177.945 176.000 0.105 0.000 0.985 729 Q CA 2.373 58.202 55.803 0.043 0.000 0.863 729 Q CB -0.411 28.304 28.738 -0.038 0.000 0.904 729 Q HN 0.768 nan 8.270 nan 0.000 0.422 730 E N -1.371 118.827 120.200 -0.004 0.000 2.070 730 E HA -0.247 4.094 4.350 -0.014 0.000 0.197 730 E C 1.646 178.166 176.600 -0.134 0.000 1.004 730 E CA 1.596 57.920 56.400 -0.127 0.000 0.805 730 E CB -0.243 29.274 29.700 -0.306 0.000 0.744 730 E HN 0.606 nan 8.360 nan 0.000 0.451 731 Y N -1.133 119.233 120.300 0.111 0.000 2.200 731 Y HA -0.210 4.332 4.550 -0.014 0.000 0.290 731 Y C 2.232 178.133 175.900 0.001 0.000 1.137 731 Y CA 1.478 59.632 58.100 0.090 0.000 1.163 731 Y CB -0.684 37.883 38.460 0.179 0.000 0.988 731 Y HN 0.236 nan 8.280 nan 0.000 0.518 732 Y N 1.292 121.624 120.300 0.053 0.000 2.207 732 Y HA -0.272 4.269 4.550 -0.014 0.000 0.287 732 Y C 1.819 177.689 175.900 -0.050 0.000 1.156 732 Y CA 1.802 59.861 58.100 -0.068 0.000 1.182 732 Y CB -0.354 38.121 38.460 0.026 0.000 0.979 732 Y HN 0.086 nan 8.280 nan 0.000 0.521 733 D N -0.397 120.086 120.400 0.138 0.000 2.149 733 D HA -0.096 4.536 4.640 -0.014 0.000 0.201 733 D C 1.939 178.214 176.300 -0.042 0.000 0.972 733 D CA 1.177 55.206 54.000 0.047 0.000 0.835 733 D CB -0.061 40.782 40.800 0.072 0.000 0.966 733 D HN 0.465 nan 8.370 nan 0.000 0.476 734 R N -0.115 120.362 120.500 -0.039 0.000 2.265 734 R HA 0.244 4.575 4.340 -0.014 0.000 0.194 734 R C 0.480 176.760 176.300 -0.033 0.000 0.931 734 R CA 0.115 56.193 56.100 -0.037 0.000 1.032 734 R CB 0.945 31.223 30.300 -0.038 0.000 0.980 734 R HN 0.167 nan 8.270 nan 0.000 0.497 735 I N 2.588 123.123 120.570 -0.058 0.000 2.428 735 I HA 0.214 4.375 4.170 -0.014 0.000 0.279 735 I C -1.884 174.147 176.117 -0.143 0.000 1.040 735 I CA -2.300 58.970 61.300 -0.050 0.000 1.171 735 I CB 2.047 40.056 38.000 0.015 0.000 1.312 735 I HN -0.273 nan 8.210 nan 0.000 0.470 736 P HA -0.149 nan 4.420 nan 0.000 0.216 736 P C 1.205 178.413 177.300 -0.152 0.000 1.150 736 P CA 1.301 64.314 63.100 -0.146 0.000 0.837 736 P CB 0.301 31.947 31.700 -0.090 0.000 0.786 737 E N -0.920 119.228 120.200 -0.088 0.000 2.110 737 E HA -0.168 4.173 4.350 -0.014 0.000 0.193 737 E C 1.856 178.362 176.600 -0.156 0.000 0.988 737 E CA 0.736 57.100 56.400 -0.061 0.000 0.804 737 E CB -0.586 29.148 29.700 0.057 0.000 0.745 737 E HN 0.120 nan 8.360 nan 0.000 0.458 738 L N 1.209 122.255 121.223 -0.295 0.000 2.056 738 L HA -0.125 4.207 4.340 -0.014 0.000 0.207 738 L C 2.352 178.959 176.870 -0.439 0.000 1.078 738 L CA 1.606 56.107 54.840 -0.565 0.000 0.749 738 L CB -0.320 41.262 42.059 -0.794 0.000 0.901 738 L HN -0.090 nan 8.230 nan 0.000 0.433 739 R N -0.924 119.294 120.500 -0.471 0.000 2.091 739 R HA -0.237 4.095 4.340 -0.014 0.000 0.238 739 R C 2.410 178.541 176.300 -0.283 0.000 1.136 739 R CA 1.986 57.718 56.100 -0.612 0.000 0.959 739 R CB -0.335 29.530 30.300 -0.725 0.000 0.856 739 R HN 0.569 nan 8.270 nan 0.000 0.437 740 Q N 0.353 120.026 119.800 -0.212 0.000 2.096 740 Q HA -0.193 4.139 4.340 -0.014 0.000 0.204 740 Q C 2.082 178.027 176.000 -0.092 0.000 0.982 740 Q CA 1.890 57.613 55.803 -0.132 0.000 0.850 740 Q CB -0.078 28.585 28.738 -0.126 0.000 0.901 740 Q HN 0.462 nan 8.270 nan 0.000 0.422 741 I N 0.521 121.033 120.570 -0.096 0.000 2.226 741 I HA -0.284 3.877 4.170 -0.014 0.000 0.245 741 I C 2.100 178.239 176.117 0.038 0.000 1.100 741 I CA 0.588 61.870 61.300 -0.030 0.000 1.374 741 I CB -0.275 37.680 38.000 -0.075 0.000 1.057 741 I HN 0.279 nan 8.210 nan 0.000 0.413 742 I N 0.859 121.455 120.570 0.043 0.000 2.226 742 I HA -0.235 3.926 4.170 -0.014 0.000 0.245 742 I C 2.464 178.687 176.117 0.178 0.000 1.100 742 I CA 1.664 63.063 61.300 0.165 0.000 1.374 742 I CB -1.316 36.879 38.000 0.325 0.000 1.057 742 I HN 0.342 nan 8.210 nan 0.000 0.413 743 E N 0.323 120.608 120.200 0.143 0.000 2.150 743 E HA -0.222 4.120 4.350 -0.014 0.000 0.193 743 E C 2.148 178.814 176.600 0.112 0.000 0.985 743 E CA 0.803 57.278 56.400 0.126 0.000 0.814 743 E CB -0.125 29.624 29.700 0.082 0.000 0.752 743 E HN 0.590 nan 8.360 nan 0.000 0.466 744 Q N 0.567 120.412 119.800 0.075 0.000 2.050 744 Q HA -0.142 4.190 4.340 -0.014 0.000 0.202 744 Q C 2.388 178.559 176.000 0.285 0.000 0.980 744 Q CA 1.057 56.912 55.803 0.087 0.000 0.840 744 Q CB -0.080 28.620 28.738 -0.063 0.000 0.898 744 Q HN 0.305 nan 8.270 nan 0.000 0.424 745 L N -0.039 121.364 121.223 0.300 0.000 2.017 745 L HA -0.203 4.129 4.340 -0.014 0.000 0.208 745 L C 2.484 179.542 176.870 0.312 0.000 1.073 745 L CA 1.042 56.085 54.840 0.338 0.000 0.745 745 L CB -0.387 41.795 42.059 0.204 0.000 0.894 745 L HN 0.154 nan 8.230 nan 0.000 0.432 746 S N -0.312 115.527 115.700 0.231 0.000 2.368 746 S HA -0.159 4.303 4.470 -0.014 0.000 0.225 746 S C 2.085 176.789 174.600 0.173 0.000 1.030 746 S CA 1.563 59.877 58.200 0.191 0.000 0.999 746 S CB -0.235 63.058 63.200 0.155 0.000 0.844 746 S HN 0.610 nan 8.310 nan 0.000 0.459 747 S N 0.409 116.212 115.700 0.172 0.000 2.522 747 S HA 0.297 4.759 4.470 -0.014 0.000 0.227 747 S C 1.397 176.086 174.600 0.148 0.000 0.986 747 S CA 0.750 59.036 58.200 0.144 0.000 0.929 747 S CB -0.077 63.204 63.200 0.134 0.000 0.769 747 S HN 0.848 nan 8.310 nan 0.000 0.529 748 G N 0.436 109.356 108.800 0.199 0.000 2.131 748 G HA2 -0.254 3.698 3.960 -0.014 0.000 0.201 748 G HA3 -0.254 3.698 3.960 -0.014 0.000 0.201 748 G C 0.132 175.123 174.900 0.151 0.000 1.000 748 G CA 0.078 45.284 45.100 0.176 0.000 0.680 748 G HN 0.476 nan 8.290 nan 0.000 0.514 749 F N 0.260 120.219 119.950 0.014 0.000 2.134 749 F HA 0.189 4.707 4.527 -0.014 0.000 0.299 749 F C 1.921 177.533 175.800 -0.314 0.000 1.097 749 F CA 1.993 59.874 58.000 -0.199 0.000 1.264 749 F CB -0.033 38.755 39.000 -0.352 0.000 1.001 749 F HN 0.184 nan 8.300 nan 0.000 0.479 750 F N -0.439 119.673 119.950 0.271 0.000 2.693 750 F HA 0.198 4.717 4.527 -0.014 0.000 0.303 750 F C 0.614 176.533 175.800 0.199 0.000 1.097 750 F CA 0.212 58.325 58.000 0.189 0.000 1.330 750 F CB -0.147 38.967 39.000 0.190 0.000 1.067 750 F HN -0.055 nan 8.300 nan 0.000 0.565 751 S N -1.771 114.083 115.700 0.257 0.000 2.564 751 S HA 0.319 4.781 4.470 -0.014 0.000 0.141 751 S C -2.496 172.124 174.600 0.034 0.000 1.474 751 S CA -1.026 57.245 58.200 0.120 0.000 1.236 751 S CB 0.960 64.178 63.200 0.030 0.000 1.481 751 S HN -0.179 nan 8.310 nan 0.000 0.397 752 P HA -0.051 nan 4.420 nan 0.000 0.217 752 P C 1.262 178.550 177.300 -0.019 0.000 1.150 752 P CA 1.106 64.184 63.100 -0.037 0.000 0.832 752 P CB 0.156 31.811 31.700 -0.075 0.000 0.787 753 K N -0.805 119.587 120.400 -0.014 0.000 2.116 753 K HA -0.019 4.292 4.320 -0.014 0.000 0.203 753 K C 0.765 177.361 176.600 -0.007 0.000 1.052 753 K CA 0.940 57.222 56.287 -0.009 0.000 0.952 753 K CB -0.050 32.448 32.500 -0.004 0.000 0.729 753 K HN 0.262 nan 8.250 nan 0.000 0.446 754 Q N 0.208 120.001 119.800 -0.013 0.000 2.644 754 Q HA 0.141 4.472 4.340 -0.014 0.000 0.245 754 Q C -2.241 173.745 176.000 -0.023 0.000 1.064 754 Q CA -1.704 54.085 55.803 -0.023 0.000 0.860 754 Q CB 1.575 30.289 28.738 -0.040 0.000 1.145 754 Q HN -0.052 nan 8.270 nan 0.000 0.515 755 P HA -0.223 nan 4.420 nan 0.000 0.217 755 P C 0.626 177.956 177.300 0.049 0.000 1.148 755 P CA 1.382 64.505 63.100 0.038 0.000 0.828 755 P CB 0.230 31.953 31.700 0.039 0.000 0.783 756 D N -1.121 119.293 120.400 0.023 0.000 2.325 756 D HA -0.022 4.610 4.640 -0.014 0.000 0.225 756 D C 1.661 177.955 176.300 -0.009 0.000 1.096 756 D CA -0.175 53.846 54.000 0.036 0.000 0.844 756 D CB -0.614 40.208 40.800 0.037 0.000 0.925 756 D HN 0.010 nan 8.370 nan 0.000 0.513 757 L N 0.128 121.277 121.223 -0.123 0.000 2.051 757 L HA -0.132 4.200 4.340 -0.014 0.000 0.214 757 L C 1.213 177.870 176.870 -0.356 0.000 1.076 757 L CA 1.745 56.386 54.840 -0.330 0.000 0.758 757 L CB -0.694 40.968 42.059 -0.662 0.000 0.890 757 L HN 0.011 nan 8.230 nan 0.000 0.433 758 F N -0.883 119.127 119.950 0.100 0.000 2.668 758 F HA 0.129 4.647 4.527 -0.014 0.000 0.297 758 F C 1.810 177.666 175.800 0.094 0.000 1.124 758 F CA -0.118 57.933 58.000 0.084 0.000 1.353 758 F CB -0.266 38.774 39.000 0.067 0.000 0.992 758 F HN 0.101 nan 8.300 nan 0.000 0.524 759 K N -0.382 120.140 120.400 0.202 0.000 2.103 759 K HA -0.194 4.118 4.320 -0.014 0.000 0.207 759 K C 1.014 177.719 176.600 0.174 0.000 1.048 759 K CA 2.029 58.416 56.287 0.168 0.000 0.930 759 K CB -0.288 32.284 32.500 0.120 0.000 0.716 759 K HN 0.045 nan 8.250 nan 0.000 0.444 760 D N 1.118 121.631 120.400 0.189 0.000 2.117 760 D HA -0.083 4.549 4.640 -0.014 0.000 0.197 760 D C 2.009 178.421 176.300 0.186 0.000 0.987 760 D CA 1.155 55.273 54.000 0.197 0.000 0.829 760 D CB -0.119 40.834 40.800 0.254 0.000 0.961 760 D HN 0.306 nan 8.370 nan 0.000 0.460 761 I N 0.348 121.031 120.570 0.189 0.000 2.202 761 I HA -0.212 3.949 4.170 -0.014 0.000 0.242 761 I C 2.429 178.614 176.117 0.112 0.000 1.091 761 I CA 0.571 61.952 61.300 0.136 0.000 1.368 761 I CB -0.256 37.813 38.000 0.115 0.000 1.058 761 I HN -0.117 nan 8.210 nan 0.000 0.410 762 V N 1.251 121.248 119.914 0.138 0.000 2.287 762 V HA -0.323 3.788 4.120 -0.014 0.000 0.248 762 V C 2.275 178.411 176.094 0.070 0.000 1.053 762 V CA 2.449 64.817 62.300 0.114 0.000 1.027 762 V CB -0.976 30.932 31.823 0.141 0.000 0.646 762 V HN 0.469 nan 8.190 nan 0.000 0.447 763 N N -0.177 118.598 118.700 0.124 0.000 2.069 763 N HA -0.221 4.510 4.740 -0.014 0.000 0.191 763 N C 1.841 177.446 175.510 0.159 0.000 1.031 763 N CA 1.969 55.128 53.050 0.182 0.000 0.852 763 N CB -0.328 38.298 38.487 0.233 0.000 1.018 763 N HN 0.350 nan 8.380 nan 0.000 0.423 764 M N -0.230 119.469 119.600 0.164 0.000 2.086 764 M HA -0.122 4.350 4.480 -0.014 0.000 0.261 764 M C 1.454 177.754 176.300 0.000 0.000 1.067 764 M CA 1.313 56.709 55.300 0.160 0.000 1.116 764 M CB -0.674 32.021 32.600 0.159 0.000 1.348 764 M HN 0.190 nan 8.290 nan 0.000 0.407 765 L N 0.785 121.955 121.223 -0.088 0.000 2.012 765 L HA -0.226 4.106 4.340 -0.014 0.000 0.210 765 L C 2.497 179.062 176.870 -0.509 0.000 1.073 765 L CA 1.721 56.365 54.840 -0.326 0.000 0.748 765 L CB -1.211 40.672 42.059 -0.294 0.000 0.891 765 L HN 0.355 nan 8.230 nan 0.000 0.431 766 M N -1.829 117.522 119.600 -0.416 0.000 2.200 766 M HA -0.099 4.373 4.480 -0.014 0.000 0.265 766 M C 1.844 177.675 176.300 -0.782 0.000 1.066 766 M CA 1.514 56.439 55.300 -0.625 0.000 1.127 766 M CB -0.815 31.310 32.600 -0.792 0.000 1.379 766 M HN 0.363 nan 8.290 nan 0.000 0.420 767 H N -2.955 115.943 119.070 -0.288 0.000 3.266 767 H HA 0.229 4.777 4.556 -0.014 0.000 0.246 767 H C 0.316 175.290 175.328 -0.591 0.000 0.998 767 H CA 0.489 56.232 56.048 -0.507 0.000 1.152 767 H CB 0.332 29.646 29.762 -0.746 0.000 1.466 767 H HN 0.523 nan 8.280 nan 0.000 0.481 768 H N 0.145 119.270 119.070 0.090 0.000 2.665 768 H HA 0.134 4.682 4.556 -0.014 0.000 0.248 768 H C -0.533 174.817 175.328 0.037 0.000 1.175 768 H CA -0.288 55.802 56.048 0.071 0.000 0.952 768 H CB 0.982 30.791 29.762 0.078 0.000 1.883 768 H HN -0.011 nan 8.280 nan 0.000 0.623 769 D N 1.164 121.620 120.400 0.093 0.000 2.422 769 D HA 0.071 4.702 4.640 -0.014 0.000 0.227 769 D C 0.974 177.230 176.300 -0.074 0.000 1.190 769 D CA -0.172 53.852 54.000 0.041 0.000 0.905 769 D CB 0.541 41.344 40.800 0.005 0.000 1.034 769 D HN 0.290 nan 8.370 nan 0.000 0.507 770 R N 2.224 122.577 120.500 -0.245 0.000 2.237 770 R HA -0.051 4.280 4.340 -0.014 0.000 0.219 770 R C 0.605 176.438 176.300 -0.778 0.000 1.080 770 R CA 0.882 56.625 56.100 -0.596 0.000 0.995 770 R CB 0.075 29.794 30.300 -0.967 0.000 0.875 770 R HN 0.412 nan 8.270 nan 0.000 0.462 771 F N 0.264 120.179 119.950 -0.059 0.000 2.654 771 F HA 0.276 4.794 4.527 -0.014 0.000 0.303 771 F C 0.064 175.753 175.800 -0.186 0.000 1.099 771 F CA -0.691 57.263 58.000 -0.075 0.000 1.270 771 F CB 0.219 39.240 39.000 0.035 0.000 1.024 771 F HN -0.246 nan 8.300 nan 0.000 0.548 772 K N -0.452 119.768 120.400 -0.300 0.000 3.148 772 K HA -0.181 4.131 4.320 -0.014 0.000 0.267 772 K C 1.014 177.511 176.600 -0.170 0.000 0.996 772 K CA 0.218 56.154 56.287 -0.586 0.000 0.737 772 K CB -1.926 30.167 32.500 -0.679 0.000 1.308 772 K HN 0.214 nan 8.250 nan 0.000 0.470 773 V N 0.031 119.928 119.914 -0.028 0.000 2.252 773 V HA -0.312 3.800 4.120 -0.014 0.000 0.249 773 V C 1.960 178.212 176.094 0.264 0.000 1.056 773 V CA 2.462 64.828 62.300 0.109 0.000 1.022 773 V CB -0.503 31.391 31.823 0.118 0.000 0.641 773 V HN 0.492 nan 8.190 nan 0.000 0.445 774 F N 0.110 120.074 119.950 0.024 0.000 2.216 774 F HA -0.184 4.335 4.527 -0.014 0.000 0.300 774 F C 2.506 178.094 175.800 -0.352 0.000 1.085 774 F CA 0.628 58.585 58.000 -0.072 0.000 1.326 774 F CB -0.378 38.602 39.000 -0.033 0.000 1.027 774 F HN 0.200 nan 8.300 nan 0.000 0.497 775 A N -0.512 122.149 122.820 -0.266 0.000 2.019 775 A HA -0.190 4.122 4.320 -0.014 0.000 0.219 775 A C 1.460 179.024 177.584 -0.033 0.000 1.164 775 A CA 1.845 53.633 52.037 -0.415 0.000 0.644 775 A CB -0.434 18.471 19.000 -0.157 0.000 0.805 775 A HN 0.238 nan 8.150 nan 0.000 0.449 776 D N -2.836 117.612 120.400 0.079 0.000 2.369 776 D HA 0.081 4.713 4.640 -0.014 0.000 0.211 776 D C 1.170 177.630 176.300 0.267 0.000 1.077 776 D CA -0.038 54.083 54.000 0.202 0.000 0.842 776 D CB -0.134 40.798 40.800 0.221 0.000 0.947 776 D HN 0.591 nan 8.370 nan 0.000 0.509 777 Y N 2.171 122.549 120.300 0.130 0.000 2.097 777 Y HA -0.241 4.301 4.550 -0.013 0.000 0.282 777 Y C 2.081 178.063 175.900 0.136 0.000 1.152 777 Y CA 1.909 60.096 58.100 0.145 0.000 1.136 777 Y CB 0.209 38.715 38.460 0.077 0.000 0.975 777 Y HN -0.100 nan 8.280 nan 0.000 0.498 778 E N -0.023 120.225 120.200 0.081 0.000 2.031 778 E HA -0.241 4.100 4.350 -0.014 0.000 0.193 778 E C 2.184 178.746 176.600 -0.063 0.000 0.994 778 E CA 1.556 57.937 56.400 -0.031 0.000 0.800 778 E CB -0.202 29.581 29.700 0.138 0.000 0.752 778 E HN 0.622 nan 8.360 nan 0.000 0.447 779 E N -0.213 120.028 120.200 0.067 0.000 2.153 779 E HA -0.206 4.136 4.350 -0.014 0.000 0.194 779 E C 1.904 178.498 176.600 -0.010 0.000 0.988 779 E CA 0.762 57.224 56.400 0.102 0.000 0.811 779 E CB -0.109 29.739 29.700 0.247 0.000 0.746 779 E HN 0.269 nan 8.360 nan 0.000 0.466 780 Y N 1.092 121.209 120.300 -0.304 0.000 2.163 780 Y HA -0.203 4.339 4.550 -0.014 0.000 0.288 780 Y C 2.133 177.647 175.900 -0.643 0.000 1.136 780 Y CA 0.946 58.550 58.100 -0.828 0.000 1.147 780 Y CB -0.473 37.551 38.460 -0.726 0.000 0.987 780 Y HN -0.212 nan 8.280 nan 0.000 0.509 781 V N 0.605 120.168 119.914 -0.586 0.000 2.343 781 V HA -0.322 3.790 4.120 -0.014 0.000 0.247 781 V C 2.258 178.125 176.094 -0.377 0.000 1.051 781 V CA 2.411 64.387 62.300 -0.540 0.000 1.036 781 V CB -0.597 30.910 31.823 -0.528 0.000 0.654 781 V HN 0.297 nan 8.190 nan 0.000 0.451 782 K N -0.903 119.336 120.400 -0.270 0.000 2.057 782 K HA -0.173 4.139 4.320 -0.014 0.000 0.206 782 K C 2.275 178.776 176.600 -0.165 0.000 1.050 782 K CA 1.620 57.811 56.287 -0.160 0.000 0.935 782 K CB -0.613 31.840 32.500 -0.077 0.000 0.715 782 K HN 0.522 nan 8.250 nan 0.000 0.439 783 C N 1.329 120.506 119.300 -0.206 0.000 2.425 783 C HA -0.092 4.360 4.460 -0.014 0.000 0.277 783 C C 2.561 177.356 174.990 -0.326 0.000 1.280 783 C CA 0.790 59.706 59.018 -0.169 0.000 1.744 783 C CB -0.633 27.038 27.740 -0.116 0.000 1.989 783 C HN 0.430 nan 8.230 nan 0.000 0.491 784 Q N 0.446 119.923 119.800 -0.539 0.000 2.170 784 Q HA -0.171 4.160 4.340 -0.014 0.000 0.203 784 Q C 1.996 177.792 176.000 -0.341 0.000 0.976 784 Q CA 1.630 57.072 55.803 -0.602 0.000 0.858 784 Q CB -0.386 27.747 28.738 -1.010 0.000 0.907 784 Q HN 0.758 nan 8.270 nan 0.000 0.433 785 E N 0.181 120.241 120.200 -0.233 0.000 2.110 785 E HA -0.146 4.195 4.350 -0.014 0.000 0.193 785 E C 2.111 178.657 176.600 -0.090 0.000 0.988 785 E CA 0.626 56.951 56.400 -0.126 0.000 0.804 785 E CB 0.005 29.653 29.700 -0.088 0.000 0.745 785 E HN 0.249 nan 8.360 nan 0.000 0.458 786 R N 0.388 120.835 120.500 -0.088 0.000 2.081 786 R HA -0.117 4.215 4.340 -0.014 0.000 0.235 786 R C 2.441 178.707 176.300 -0.057 0.000 1.131 786 R CA 1.102 57.204 56.100 0.003 0.000 0.960 786 R CB -0.491 29.876 30.300 0.113 0.000 0.856 786 R HN 0.085 nan 8.270 nan 0.000 0.436 787 V N 0.694 120.379 119.914 -0.383 0.000 2.255 787 V HA -0.268 3.843 4.120 -0.014 0.000 0.247 787 V C 2.284 178.353 176.094 -0.042 0.000 1.051 787 V CA 2.040 64.023 62.300 -0.529 0.000 1.018 787 V CB -0.443 30.969 31.823 -0.685 0.000 0.641 787 V HN 0.302 nan 8.190 nan 0.000 0.445 788 S N -0.155 115.493 115.700 -0.086 0.000 2.370 788 S HA -0.187 4.275 4.470 -0.014 0.000 0.226 788 S C 2.183 176.833 174.600 0.084 0.000 1.033 788 S CA 1.436 59.625 58.200 -0.019 0.000 1.011 788 S CB -0.494 62.667 63.200 -0.065 0.000 0.852 788 S HN 0.662 nan 8.310 nan 0.000 0.457 789 A N 1.140 124.009 122.820 0.081 0.000 1.902 789 A HA 0.011 4.322 4.320 -0.014 0.000 0.217 789 A C 2.092 179.781 177.584 0.175 0.000 1.181 789 A CA 1.048 53.154 52.037 0.116 0.000 0.623 789 A CB -0.643 18.413 19.000 0.094 0.000 0.818 789 A HN 0.472 nan 8.150 nan 0.000 0.443 790 L N -2.101 119.280 121.223 0.263 0.000 2.141 790 L HA -0.137 4.195 4.340 -0.014 0.000 0.209 790 L C 2.440 179.572 176.870 0.438 0.000 1.094 790 L CA 1.553 56.625 54.840 0.388 0.000 0.763 790 L CB -0.349 42.045 42.059 0.560 0.000 0.908 790 L HN 0.591 nan 8.230 nan 0.000 0.437 791 Y N 0.911 121.325 120.300 0.191 0.000 2.421 791 Y HA -0.238 4.304 4.550 -0.013 0.000 0.292 791 Y C 2.347 178.181 175.900 -0.110 0.000 1.136 791 Y CA 1.442 59.422 58.100 -0.202 0.000 1.255 791 Y CB -0.052 38.093 38.460 -0.526 0.000 0.991 791 Y HN 0.056 nan 8.280 nan 0.000 0.552 792 K N -0.134 120.297 120.400 0.052 0.000 2.360 792 K HA -0.138 4.174 4.320 -0.014 0.000 0.201 792 K C 0.384 176.964 176.600 -0.033 0.000 1.046 792 K CA 0.832 57.133 56.287 0.022 0.000 0.945 792 K CB -0.085 32.473 32.500 0.096 0.000 0.750 792 K HN 0.042 nan 8.250 nan 0.000 0.464 793 N N 0.315 119.011 118.700 -0.007 0.000 2.898 793 N HA 0.142 4.873 4.740 -0.014 0.000 0.245 793 N C -2.447 173.064 175.510 0.001 0.000 1.185 793 N CA -2.199 50.855 53.050 0.007 0.000 0.879 793 N CB 1.148 39.673 38.487 0.063 0.000 1.157 793 N HN -0.196 nan 8.380 nan 0.000 0.503 794 P HA -0.162 nan 4.420 nan 0.000 0.216 794 P C 1.398 178.710 177.300 0.020 0.000 1.154 794 P CA 1.105 64.134 63.100 -0.119 0.000 0.865 794 P CB 0.430 32.031 31.700 -0.165 0.000 0.789 795 R N -0.191 120.320 120.500 0.019 0.000 2.081 795 R HA -0.140 4.192 4.340 -0.014 0.000 0.235 795 R C 1.976 178.320 176.300 0.074 0.000 1.131 795 R CA 1.311 57.435 56.100 0.039 0.000 0.960 795 R CB -0.255 30.059 30.300 0.023 0.000 0.856 795 R HN 0.118 nan 8.270 nan 0.000 0.436 796 E N -0.310 119.946 120.200 0.093 0.000 2.158 796 E HA -0.193 4.149 4.350 -0.014 0.000 0.191 796 E C 1.562 178.248 176.600 0.143 0.000 0.982 796 E CA 0.430 56.889 56.400 0.100 0.000 0.823 796 E CB -0.342 29.413 29.700 0.092 0.000 0.766 796 E HN 0.483 nan 8.360 nan 0.000 0.468 797 W N 2.320 123.629 121.300 0.014 0.000 2.332 797 W HA -0.215 4.436 4.660 -0.015 0.000 0.321 797 W C 1.684 178.217 176.519 0.023 0.000 1.219 797 W CA 2.250 59.620 57.345 0.042 0.000 1.277 797 W CB -0.542 28.929 29.460 0.018 0.000 1.161 797 W HN 0.032 nan 8.180 nan 0.000 0.476 798 T N 1.242 115.954 114.554 0.263 0.000 2.759 798 T HA -0.201 4.141 4.350 -0.014 0.000 0.269 798 T C 1.843 176.561 174.700 0.029 0.000 1.042 798 T CA 1.876 64.054 62.100 0.130 0.000 1.140 798 T CB -0.349 68.576 68.868 0.094 0.000 0.864 798 T HN 0.188 nan 8.240 nan 0.000 0.455 799 R N 0.312 120.834 120.500 0.037 0.000 2.115 799 R HA 0.108 4.439 4.340 -0.014 0.000 0.230 799 R C 2.494 178.788 176.300 -0.010 0.000 1.111 799 R CA 1.122 57.240 56.100 0.030 0.000 0.976 799 R CB -0.309 30.014 30.300 0.039 0.000 0.870 799 R HN 0.379 nan 8.270 nan 0.000 0.445 800 M N 0.394 119.953 119.600 -0.068 0.000 2.200 800 M HA -0.127 4.345 4.480 -0.014 0.000 0.265 800 M C 1.914 178.115 176.300 -0.165 0.000 1.066 800 M CA 1.344 56.560 55.300 -0.140 0.000 1.127 800 M CB 0.196 32.654 32.600 -0.236 0.000 1.379 800 M HN -0.022 nan 8.290 nan 0.000 0.420 801 V N 1.055 120.852 119.914 -0.194 0.000 2.287 801 V HA -0.325 3.787 4.120 -0.014 0.000 0.248 801 V C 2.228 178.297 176.094 -0.041 0.000 1.053 801 V CA 2.128 64.343 62.300 -0.141 0.000 1.027 801 V CB -0.652 31.120 31.823 -0.086 0.000 0.646 801 V HN 0.514 nan 8.190 nan 0.000 0.447 802 I N -0.606 119.964 120.570 0.000 0.000 2.264 802 I HA -0.279 3.883 4.170 -0.014 0.000 0.248 802 I C 2.680 178.846 176.117 0.081 0.000 1.111 802 I CA 1.574 62.923 61.300 0.081 0.000 1.382 802 I CB -0.332 37.770 38.000 0.170 0.000 1.060 802 I HN 0.179 nan 8.210 nan 0.000 0.418 803 R N 0.827 121.351 120.500 0.040 0.000 2.115 803 R HA -0.076 4.256 4.340 -0.014 0.000 0.230 803 R C 2.055 178.388 176.300 0.054 0.000 1.111 803 R CA 1.175 57.300 56.100 0.041 0.000 0.976 803 R CB -0.161 30.146 30.300 0.012 0.000 0.870 803 R HN 0.435 nan 8.270 nan 0.000 0.445 804 N N -0.119 118.602 118.700 0.034 0.000 2.092 804 N HA -0.107 4.624 4.740 -0.014 0.000 0.189 804 N C 1.789 177.356 175.510 0.095 0.000 1.040 804 N CA 1.526 54.618 53.050 0.071 0.000 0.845 804 N CB -0.060 38.416 38.487 -0.018 0.000 1.017 804 N HN 0.144 nan 8.380 nan 0.000 0.426 805 I N 1.730 122.341 120.570 0.068 0.000 2.194 805 I HA -0.270 3.892 4.170 -0.014 0.000 0.246 805 I C 2.450 178.615 176.117 0.080 0.000 1.093 805 I CA 1.018 62.364 61.300 0.077 0.000 1.355 805 I CB -0.324 37.714 38.000 0.064 0.000 1.046 805 I HN 0.116 nan 8.210 nan 0.000 0.413 806 A N 0.192 123.060 122.820 0.079 0.000 2.070 806 A HA -0.164 4.147 4.320 -0.014 0.000 0.220 806 A C 2.083 179.704 177.584 0.061 0.000 1.159 806 A CA 2.060 54.135 52.037 0.063 0.000 0.656 806 A CB -0.823 18.219 19.000 0.070 0.000 0.800 806 A HN 0.540 nan 8.150 nan 0.000 0.453 807 T N -3.033 111.574 114.554 0.088 0.000 3.174 807 T HA 0.188 4.529 4.350 -0.014 0.000 0.269 807 T C 1.096 175.885 174.700 0.148 0.000 1.017 807 T CA 0.618 62.773 62.100 0.090 0.000 0.899 807 T CB -0.215 68.708 68.868 0.091 0.000 1.077 807 T HN 0.466 nan 8.240 nan 0.000 0.552 808 S N 0.104 115.909 115.700 0.175 0.000 2.603 808 S HA 0.235 4.697 4.470 -0.014 0.000 0.220 808 S C 2.175 176.896 174.600 0.203 0.000 0.967 808 S CA 0.255 58.631 58.200 0.293 0.000 0.920 808 S CB -0.627 62.721 63.200 0.246 0.000 0.773 808 S HN 0.536 nan 8.310 nan 0.000 0.529 809 G N 2.671 111.510 108.800 0.065 0.000 2.469 809 G HA2 -0.275 3.676 3.960 -0.014 0.000 0.219 809 G HA3 -0.275 3.676 3.960 -0.014 0.000 0.219 809 G C 1.322 176.162 174.900 -0.100 0.000 1.150 809 G CA 0.974 46.078 45.100 0.007 0.000 0.763 809 G HN 0.583 nan 8.290 nan 0.000 0.561 810 K N -0.156 120.057 120.400 -0.312 0.000 2.218 810 K HA -0.071 4.240 4.320 -0.014 0.000 0.205 810 K C 1.285 177.557 176.600 -0.546 0.000 1.046 810 K CA 0.885 56.845 56.287 -0.546 0.000 0.933 810 K CB -0.264 31.706 32.500 -0.883 0.000 0.728 810 K HN 0.443 nan 8.250 nan 0.000 0.454 811 F N 0.624 120.601 119.950 0.046 0.000 2.645 811 F HA 0.141 4.659 4.527 -0.015 0.000 0.300 811 F C 0.796 176.638 175.800 0.070 0.000 1.115 811 F CA -0.646 57.388 58.000 0.056 0.000 1.355 811 F CB 0.484 39.514 39.000 0.049 0.000 1.026 811 F HN -0.141 nan 8.300 nan 0.000 0.536 812 S N 0.435 116.220 115.700 0.143 0.000 2.531 812 S HA 0.046 4.508 4.470 -0.014 0.000 0.279 812 S C 1.469 176.149 174.600 0.132 0.000 1.305 812 S CA -0.160 58.117 58.200 0.127 0.000 1.058 812 S CB 0.754 63.998 63.200 0.073 0.000 0.899 812 S HN 0.369 nan 8.310 nan 0.000 0.493 813 S N 3.453 119.256 115.700 0.172 0.000 2.469 813 S HA -0.096 4.366 4.470 -0.014 0.000 0.238 813 S C 0.996 175.643 174.600 0.078 0.000 0.998 813 S CA 0.814 59.132 58.200 0.197 0.000 0.957 813 S CB -0.365 63.027 63.200 0.320 0.000 0.764 813 S HN 0.797 nan 8.310 nan 0.000 0.514 814 D N 1.872 122.305 120.400 0.055 0.000 2.117 814 D HA -0.091 4.540 4.640 -0.014 0.000 0.197 814 D C 2.101 178.402 176.300 0.000 0.000 0.987 814 D CA 0.823 54.833 54.000 0.017 0.000 0.829 814 D CB -0.338 40.470 40.800 0.014 0.000 0.961 814 D HN 0.288 nan 8.370 nan 0.000 0.460 815 R N 0.855 121.358 120.500 0.005 0.000 2.070 815 R HA -0.096 4.236 4.340 -0.014 0.000 0.233 815 R C 1.940 178.228 176.300 -0.020 0.000 1.137 815 R CA 1.542 57.631 56.100 -0.018 0.000 0.945 815 R CB -0.897 29.380 30.300 -0.038 0.000 0.845 815 R HN 0.121 nan 8.270 nan 0.000 0.430 816 T N 2.332 116.897 114.554 0.018 0.000 2.635 816 T HA -0.156 4.186 4.350 -0.014 0.000 0.267 816 T C 1.935 176.631 174.700 -0.007 0.000 1.040 816 T CA 1.580 63.706 62.100 0.043 0.000 1.156 816 T CB -0.157 68.813 68.868 0.170 0.000 0.863 816 T HN 0.128 nan 8.240 nan 0.000 0.430 817 I N 1.538 122.032 120.570 -0.126 0.000 2.315 817 I HA -0.073 4.089 4.170 -0.014 0.000 0.248 817 I C 2.948 179.020 176.117 -0.075 0.000 1.117 817 I CA 0.935 62.128 61.300 -0.179 0.000 1.404 817 I CB -1.625 36.256 38.000 -0.199 0.000 1.071 817 I HN 0.202 nan 8.210 nan 0.000 0.419 818 A N 0.347 123.139 122.820 -0.047 0.000 1.940 818 A HA -0.256 4.055 4.320 -0.014 0.000 0.219 818 A C 2.254 179.793 177.584 -0.076 0.000 1.176 818 A CA 1.613 53.629 52.037 -0.036 0.000 0.631 818 A CB -0.586 18.398 19.000 -0.026 0.000 0.814 818 A HN 0.519 nan 8.150 nan 0.000 0.446 819 Q N -1.868 117.868 119.800 -0.108 0.000 2.046 819 Q HA -0.166 4.165 4.340 -0.014 0.000 0.200 819 Q C 1.987 177.810 176.000 -0.295 0.000 0.975 819 Q CA 1.660 57.358 55.803 -0.176 0.000 0.836 819 Q CB -0.333 28.292 28.738 -0.188 0.000 0.896 819 Q HN 0.817 nan 8.270 nan 0.000 0.428 820 Y N 0.728 120.737 120.300 -0.486 0.000 2.081 820 Y HA -0.317 4.225 4.550 -0.014 0.000 0.280 820 Y C 2.530 177.868 175.900 -0.938 0.000 1.163 820 Y CA 1.343 58.896 58.100 -0.912 0.000 1.135 820 Y CB -0.544 37.043 38.460 -1.454 0.000 0.970 820 Y HN 0.169 nan 8.280 nan 0.000 0.498 821 A N 0.282 122.871 122.820 -0.384 0.000 1.892 821 A HA -0.251 4.060 4.320 -0.014 0.000 0.218 821 A C 2.240 179.832 177.584 0.013 0.000 1.188 821 A CA 2.238 54.294 52.037 0.031 0.000 0.631 821 A CB -0.595 18.499 19.000 0.156 0.000 0.822 821 A HN 0.456 nan 8.150 nan 0.000 0.447 822 R N -0.985 119.483 120.500 -0.053 0.000 2.080 822 R HA 0.002 4.333 4.340 -0.014 0.000 0.222 822 R C 1.871 178.144 176.300 -0.045 0.000 1.107 822 R CA 1.408 57.492 56.100 -0.028 0.000 0.980 822 R CB -0.163 30.117 30.300 -0.033 0.000 0.879 822 R HN 0.636 nan 8.270 nan 0.000 0.439 823 E N -0.389 119.743 120.200 -0.114 0.000 2.415 823 E HA 0.100 4.441 4.350 -0.014 0.000 0.197 823 E C 1.416 177.960 176.600 -0.092 0.000 1.007 823 E CA 0.415 56.753 56.400 -0.104 0.000 0.890 823 E CB 0.545 30.156 29.700 -0.148 0.000 0.891 823 E HN 0.279 nan 8.360 nan 0.000 0.496 824 I N -1.238 119.237 120.570 -0.158 0.000 3.570 824 I HA 0.019 4.181 4.170 -0.014 0.000 0.270 824 I C 1.222 177.454 176.117 0.192 0.000 1.162 824 I CA -0.043 61.215 61.300 -0.069 0.000 1.413 824 I CB 0.242 38.059 38.000 -0.305 0.000 1.437 824 I HN 0.132 nan 8.210 nan 0.000 0.457 825 W N 1.476 122.870 121.300 0.157 0.000 2.863 825 W HA 0.345 4.997 4.660 -0.014 0.000 0.258 825 W C 1.415 177.973 176.519 0.067 0.000 1.298 825 W CA 0.738 58.159 57.345 0.127 0.000 1.451 825 W CB -1.033 28.491 29.460 0.106 0.000 1.107 825 W HN 0.319 nan 8.180 nan 0.000 0.641 826 G N 1.317 110.252 108.800 0.226 0.000 2.256 826 G HA2 -0.097 3.854 3.960 -0.014 0.000 0.272 826 G HA3 -0.097 3.854 3.960 -0.014 0.000 0.272 826 G C -0.336 174.635 174.900 0.119 0.000 1.076 826 G CA 0.237 45.413 45.100 0.127 0.000 0.882 826 G HN 0.415 nan 8.290 nan 0.000 0.497 827 V N -4.414 115.588 119.914 0.147 0.000 3.078 827 V HA 0.926 5.038 4.120 -0.014 0.000 0.311 827 V C -0.502 175.649 176.094 0.095 0.000 1.138 827 V CA -1.635 60.734 62.300 0.115 0.000 1.007 827 V CB 2.358 34.259 31.823 0.131 0.000 1.045 827 V HN 0.136 nan 8.190 nan 0.000 0.432 828 E N 3.402 123.643 120.200 0.068 0.000 2.134 828 E HA 0.507 4.849 4.350 -0.014 0.000 0.278 828 E C -2.530 174.105 176.600 0.058 0.000 0.959 828 E CA -1.757 54.675 56.400 0.054 0.000 0.783 828 E CB 1.681 31.404 29.700 0.040 0.000 1.095 828 E HN 0.734 nan 8.360 nan 0.000 0.399 829 P HA 0.039 nan 4.420 nan 0.000 0.270 829 P C -0.377 176.950 177.300 0.045 0.000 1.227 829 P CA -0.208 62.924 63.100 0.053 0.000 0.788 829 P CB 0.768 32.494 31.700 0.042 0.000 0.926 830 S N 0.338 116.065 115.700 0.046 0.000 2.572 830 S HA 0.327 4.789 4.470 -0.014 0.000 0.274 830 S C 0.330 174.953 174.600 0.038 0.000 1.150 830 S CA -0.751 57.475 58.200 0.043 0.000 0.944 830 S CB 1.000 64.232 63.200 0.054 0.000 1.071 830 S HN 0.266 nan 8.310 nan 0.000 0.479 831 R N 2.231 122.749 120.500 0.030 0.000 2.359 831 R HA 0.194 4.526 4.340 -0.014 0.000 0.231 831 R C -0.022 176.288 176.300 0.017 0.000 0.913 831 R CA 0.015 56.132 56.100 0.028 0.000 1.075 831 R CB 0.149 30.466 30.300 0.028 0.000 1.087 831 R HN 0.685 nan 8.270 nan 0.000 0.515 832 Q N 1.331 121.141 119.800 0.017 0.000 2.297 832 Q HA 0.084 4.415 4.340 -0.014 0.000 0.267 832 Q C -0.294 175.698 176.000 -0.012 0.000 1.006 832 Q CA 0.198 56.003 55.803 0.005 0.000 0.896 832 Q CB 0.845 29.590 28.738 0.013 0.000 1.186 832 Q HN -0.248 nan 8.270 nan 0.000 0.392 833 R N 1.761 122.245 120.500 -0.027 0.000 2.438 833 R HA 0.236 4.568 4.340 -0.014 0.000 0.287 833 R C -0.270 175.988 176.300 -0.071 0.000 1.077 833 R CA -0.032 56.039 56.100 -0.048 0.000 1.034 833 R CB 0.346 30.615 30.300 -0.050 0.000 0.993 833 R HN 0.489 nan 8.270 nan 0.000 0.459 834 L N 5.520 126.682 121.223 -0.102 0.000 2.395 834 L HA 0.332 4.664 4.340 -0.014 0.000 0.269 834 L C -1.663 175.145 176.870 -0.103 0.000 1.133 834 L CA -1.989 52.761 54.840 -0.150 0.000 0.812 834 L CB 0.877 42.807 42.059 -0.215 0.000 1.125 834 L HN 0.423 nan 8.230 nan 0.000 0.452 835 P HA 0.021 nan 4.420 nan 0.000 0.265 835 P C -0.543 176.727 177.300 -0.050 0.000 1.193 835 P CA -0.141 62.923 63.100 -0.059 0.000 0.765 835 P CB 0.656 32.327 31.700 -0.048 0.000 0.823 836 A N 0.000 122.799 122.820 -0.036 0.000 2.254 836 A HA 0.000 4.312 4.320 -0.014 0.000 0.244 836 A CA 0.000 52.024 52.037 -0.022 0.000 0.836 836 A CB 0.000 18.990 19.000 -0.017 0.000 0.831 836 A HN 0.000 nan 8.150 nan 0.000 0.486