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 1fs4_1_A DATA FIRST_RESID 13 DATA SEQUENCE ISVRGLAGVE NVTELKKNFN RHLHFTLVKD RNVATPRDYY FALAHTVRDH DATA SEQUENCE LVGRWIRTQQ HYYEKDPKRI YYLSLEFYMG RTLQNTMVNL ALENACDEAT DATA SEQUENCE YQLGLDMEEL EEIEEDAGLG NGGLGRLAAC FLDSMATLGL AAYGYGIRYE DATA SEQUENCE FGIFNQKICG GWQMEEADDW LRYGNPWEKA RPEFTLPVHF YGRVEHTSQG DATA SEQUENCE AKWVDTQVVL AMPYDTPVPG YRNNVVNTMR LWSAKAPNDF NLKDFNVGGY DATA SEQUENCE IQAVLDRNLA ENISRVLYPN DNFFEGKELR LKQEYFVVAA TLQDIIRRFK DATA SEQUENCE SSKFGCRDPV RTNFDAFPDK VAIQLNDTHP SLAIPELMRV LVDLERLDWD DATA SEQUENCE KAWEVTVKTC AYTNHTVIPE ALERWPVHLL ETLLPRHLQI IYEINQRFLN DATA SEQUENCE RVAAAFPGDV DRLRRMSLVE EGAVKRINMA HLCIAGSHAV NGVARIHSEI DATA SEQUENCE LKKTIFKDFY ELEPHKFQNK TNGITPRRWL VLCNPGLAEI IAERIGEEYI DATA SEQUENCE SDLDQLRKLL SYVDDEAFIR DVAKVKQENK LKFAAYLERE YKVHINPNSL DATA SEQUENCE FDVQVKRIHE YKRQLLNCLH VITLYNRIKK EPNKFVVPRT VMIGGKAAPG DATA SEQUENCE YHMAKMIIKL ITAIGDVVNH DPVVGDRLRV IFLENYRVSL AEKVIPAADL DATA SEQUENCE SEQISTAGTE ASGTGNMKFM LNGALTIGTM DGANVEMAEE AGEENFFIFG DATA SEQUENCE MRVEDVDRLD QRGYNAQEYY DRIPELRQII EQLSSGFFSP KQPDLFKDIV DATA SEQUENCE NMLMHHDRFK VFADYEEYVK CQERVSALYK NPREWTRMVI RNIATSGKFS DATA SEQUENCE SDRTIAQYAR EIWGVEPSRQ RLPAPDEKIP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 13 I HA 0.000 nan 4.170 nan 0.000 0.288 13 I C 0.000 176.106 176.117 -0.019 0.000 1.063 13 I CA 0.000 61.279 61.300 -0.034 0.000 1.566 13 I CB 0.000 37.970 38.000 -0.049 0.000 1.214 14 S N -0.083 115.611 115.700 -0.010 0.000 2.630 14 S HA 0.218 4.681 4.470 -0.013 0.000 0.274 14 S C -1.274 173.329 174.600 0.004 0.000 0.915 14 S CA -0.144 58.057 58.200 0.002 0.000 1.079 14 S CB 0.553 63.754 63.200 0.002 0.000 1.360 14 S HN 0.100 nan 8.310 nan 0.000 0.455 15 V N 3.588 123.510 119.914 0.014 0.000 2.525 15 V HA 0.376 4.489 4.120 -0.013 0.000 0.326 15 V C 1.098 177.199 176.094 0.012 0.000 1.477 15 V CA -0.217 62.092 62.300 0.014 0.000 1.579 15 V CB -0.627 31.212 31.823 0.027 0.000 1.489 15 V HN 0.594 nan 8.190 nan 0.000 0.541 16 R N 1.938 122.439 120.500 0.001 0.000 2.449 16 R HA 0.453 4.786 4.340 -0.013 0.000 0.262 16 R C 1.062 177.353 176.300 -0.015 0.000 1.006 16 R CA 0.531 56.629 56.100 -0.003 0.000 1.104 16 R CB 0.332 30.627 30.300 -0.009 0.000 1.206 16 R HN 0.731 nan 8.270 nan 0.000 0.538 17 G N 0.733 109.524 108.800 -0.015 0.000 2.610 17 G HA2 -0.209 3.743 3.960 -0.013 0.000 0.304 17 G HA3 -0.209 3.743 3.960 -0.013 0.000 0.304 17 G C -1.127 173.758 174.900 -0.025 0.000 1.309 17 G CA -1.045 44.039 45.100 -0.026 0.000 0.906 17 G HN 0.034 nan 8.290 nan 0.000 0.521 18 L N 0.632 121.838 121.223 -0.028 0.000 2.334 18 L HA 0.714 5.047 4.340 -0.013 0.000 0.277 18 L C 1.259 178.114 176.870 -0.025 0.000 1.075 18 L CA 0.105 54.931 54.840 -0.023 0.000 0.804 18 L CB 1.148 43.194 42.059 -0.020 0.000 1.174 18 L HN 1.533 nan 8.230 nan 0.000 0.438 19 A N 2.752 125.559 122.820 -0.022 0.000 3.175 19 A HA 0.563 4.876 4.320 -0.013 0.000 0.289 19 A C 0.816 178.393 177.584 -0.012 0.000 1.429 19 A CA -0.287 51.738 52.037 -0.020 0.000 1.155 19 A CB -0.722 18.263 19.000 -0.025 0.000 1.169 19 A HN 0.787 nan 8.150 nan 0.000 0.574 20 G N -0.271 108.523 108.800 -0.009 0.000 2.559 20 G HA2 0.299 4.252 3.960 -0.013 0.000 0.235 20 G HA3 0.299 4.252 3.960 -0.013 0.000 0.235 20 G C 1.025 175.928 174.900 0.005 0.000 1.266 20 G CA 0.077 45.175 45.100 -0.002 0.000 0.847 20 G HN 0.421 nan 8.290 nan 0.000 0.583 21 V N 1.802 121.720 119.914 0.007 0.000 2.261 21 V HA -0.159 3.954 4.120 -0.013 0.000 0.246 21 V C 2.691 178.795 176.094 0.017 0.000 1.047 21 V CA 2.376 64.683 62.300 0.011 0.000 1.015 21 V CB -0.737 31.092 31.823 0.010 0.000 0.642 21 V HN 0.759 nan 8.190 nan 0.000 0.446 22 E N 0.345 120.556 120.200 0.018 0.000 2.110 22 E HA -0.180 4.163 4.350 -0.013 0.000 0.193 22 E C 2.053 178.674 176.600 0.036 0.000 0.988 22 E CA 1.505 57.920 56.400 0.025 0.000 0.804 22 E CB -0.301 29.413 29.700 0.024 0.000 0.745 22 E HN 0.641 nan 8.360 nan 0.000 0.458 23 N N -1.227 117.494 118.700 0.034 0.000 2.354 23 N HA -0.073 4.659 4.740 -0.013 0.000 0.179 23 N C 1.377 176.915 175.510 0.046 0.000 1.021 23 N CA 0.466 53.544 53.050 0.047 0.000 0.887 23 N CB 0.313 38.819 38.487 0.031 0.000 0.974 23 N HN -0.045 nan 8.380 nan 0.000 0.437 24 V N -0.033 119.900 119.914 0.030 0.000 2.453 24 V HA -0.169 3.943 4.120 -0.013 0.000 0.247 24 V C 1.910 178.027 176.094 0.039 0.000 1.048 24 V CA 1.630 63.947 62.300 0.028 0.000 1.049 24 V CB -0.601 31.233 31.823 0.019 0.000 0.672 24 V HN 0.396 nan 8.190 nan 0.000 0.457 25 T N -0.416 114.162 114.554 0.039 0.000 2.737 25 T HA -0.195 4.148 4.350 -0.013 0.000 0.265 25 T C 1.901 176.637 174.700 0.060 0.000 1.038 25 T CA 1.679 63.804 62.100 0.042 0.000 1.144 25 T CB -0.157 68.731 68.868 0.034 0.000 0.866 25 T HN 0.494 nan 8.240 nan 0.000 0.434 26 E N 0.826 121.068 120.200 0.070 0.000 2.077 26 E HA -0.101 4.242 4.350 -0.013 0.000 0.193 26 E C 1.927 178.605 176.600 0.130 0.000 0.989 26 E CA 0.805 57.260 56.400 0.091 0.000 0.800 26 E CB -0.502 29.259 29.700 0.101 0.000 0.746 26 E HN 0.160 nan 8.360 nan 0.000 0.452 27 L N 0.905 122.212 121.223 0.139 0.000 2.017 27 L HA -0.129 4.203 4.340 -0.013 0.000 0.208 27 L C 2.172 179.153 176.870 0.185 0.000 1.073 27 L CA 1.875 56.823 54.840 0.180 0.000 0.745 27 L CB -0.821 41.312 42.059 0.124 0.000 0.894 27 L HN 0.095 nan 8.230 nan 0.000 0.432 28 K N -0.214 120.256 120.400 0.117 0.000 2.063 28 K HA -0.218 4.095 4.320 -0.013 0.000 0.208 28 K C 1.946 178.652 176.600 0.176 0.000 1.048 28 K CA 1.855 58.206 56.287 0.108 0.000 0.928 28 K CB -0.088 32.434 32.500 0.037 0.000 0.713 28 K HN 0.436 nan 8.250 nan 0.000 0.442 29 K N 0.067 120.549 120.400 0.137 0.000 2.155 29 K HA -0.017 4.295 4.320 -0.013 0.000 0.203 29 K C 1.563 178.252 176.600 0.148 0.000 1.052 29 K CA 1.153 57.515 56.287 0.126 0.000 0.948 29 K CB -0.086 32.462 32.500 0.079 0.000 0.728 29 K HN 0.051 nan 8.250 nan 0.000 0.448 30 N N 0.571 119.373 118.700 0.169 0.000 2.331 30 N HA -0.085 4.648 4.740 -0.013 0.000 0.180 30 N C 1.528 177.200 175.510 0.270 0.000 1.019 30 N CA 0.807 53.951 53.050 0.157 0.000 0.881 30 N CB -0.127 38.465 38.487 0.176 0.000 0.972 30 N HN 0.191 nan 8.380 nan 0.000 0.435 31 F N 2.475 122.531 119.950 0.177 0.000 2.146 31 F HA -0.039 4.481 4.527 -0.012 0.000 0.298 31 F C 1.981 177.895 175.800 0.191 0.000 1.096 31 F CA 1.153 59.276 58.000 0.205 0.000 1.275 31 F CB -0.067 39.021 39.000 0.147 0.000 1.008 31 F HN -0.054 nan 8.300 nan 0.000 0.480 32 N N 0.393 119.307 118.700 0.358 0.000 2.216 32 N HA -0.132 4.601 4.740 -0.013 0.000 0.183 32 N C 2.083 177.676 175.510 0.139 0.000 1.017 32 N CA 0.668 53.856 53.050 0.230 0.000 0.861 32 N CB -0.455 38.154 38.487 0.203 0.000 0.986 32 N HN 0.309 nan 8.380 nan 0.000 0.428 33 R N 0.675 121.254 120.500 0.132 0.000 2.082 33 R HA -0.126 4.207 4.340 -0.013 0.000 0.234 33 R C 1.815 178.201 176.300 0.143 0.000 1.136 33 R CA 1.585 57.787 56.100 0.170 0.000 0.935 33 R CB -0.511 29.778 30.300 -0.019 0.000 0.842 33 R HN 0.451 nan 8.270 nan 0.000 0.430 34 H N -0.277 118.840 119.070 0.079 0.000 2.387 34 H HA -0.147 4.401 4.556 -0.013 0.000 0.299 34 H C 1.862 177.129 175.328 -0.102 0.000 1.090 34 H CA 1.425 57.450 56.048 -0.038 0.000 1.332 34 H CB -0.005 29.696 29.762 -0.102 0.000 1.386 34 H HN 0.097 nan 8.280 nan 0.000 0.516 35 L N -0.098 121.117 121.223 -0.015 0.000 2.083 35 L HA -0.168 4.164 4.340 -0.013 0.000 0.209 35 L C 2.140 178.995 176.870 -0.026 0.000 1.083 35 L CA 1.820 56.615 54.840 -0.075 0.000 0.752 35 L CB -0.423 41.589 42.059 -0.078 0.000 0.899 35 L HN 0.281 nan 8.230 nan 0.000 0.433 36 H N -1.651 117.340 119.070 -0.132 0.000 2.273 36 H HA -0.020 4.528 4.556 -0.013 0.000 0.311 36 H C 1.811 176.923 175.328 -0.359 0.000 1.057 36 H CA 2.159 58.032 56.048 -0.292 0.000 1.360 36 H CB -0.335 29.161 29.762 -0.443 0.000 1.414 36 H HN 0.268 nan 8.280 nan 0.000 0.516 37 F N -0.297 119.638 119.950 -0.025 0.000 2.259 37 F HA -0.047 4.472 4.527 -0.013 0.000 0.298 37 F C 2.518 178.242 175.800 -0.127 0.000 1.088 37 F CA 1.482 59.416 58.000 -0.110 0.000 1.358 37 F CB -0.345 38.619 39.000 -0.060 0.000 1.040 37 F HN 0.198 nan 8.300 nan 0.000 0.505 38 T N -0.688 113.892 114.554 0.043 0.000 2.983 38 T HA 0.050 4.393 4.350 -0.013 0.000 0.250 38 T C 1.672 176.280 174.700 -0.153 0.000 1.037 38 T CA 0.567 62.623 62.100 -0.073 0.000 1.142 38 T CB -0.104 68.685 68.868 -0.132 0.000 0.876 38 T HN -0.050 nan 8.240 nan 0.000 0.455 39 L N 1.049 122.186 121.223 -0.144 0.000 2.477 39 L HA 0.293 4.626 4.340 -0.013 0.000 0.220 39 L C 0.625 177.402 176.870 -0.155 0.000 1.106 39 L CA 0.343 55.088 54.840 -0.159 0.000 0.851 39 L CB -0.565 41.411 42.059 -0.138 0.000 0.994 39 L HN 0.036 nan 8.230 nan 0.000 0.462 40 V N 0.380 120.186 119.914 -0.180 0.000 6.016 40 V HA -0.294 3.818 4.120 -0.013 0.000 0.265 40 V C 0.424 176.413 176.094 -0.176 0.000 0.621 40 V CA 0.815 62.980 62.300 -0.226 0.000 0.592 40 V CB -2.074 29.638 31.823 -0.185 0.000 0.298 40 V HN 0.396 nan 8.190 nan 0.000 0.615 41 K N 1.373 121.682 120.400 -0.151 0.000 2.466 41 K HA 0.691 5.003 4.320 -0.013 0.000 0.260 41 K C -0.721 175.856 176.600 -0.039 0.000 1.011 41 K CA -0.574 55.655 56.287 -0.096 0.000 0.871 41 K CB 2.850 35.289 32.500 -0.101 0.000 1.404 41 K HN 0.605 nan 8.250 nan 0.000 0.450 42 D N 0.296 120.691 120.400 -0.009 0.000 2.671 42 D HA 0.275 4.908 4.640 -0.013 0.000 0.232 42 D C 0.561 176.891 176.300 0.050 0.000 1.114 42 D CA -0.598 53.428 54.000 0.043 0.000 0.858 42 D CB 1.580 42.403 40.800 0.039 0.000 1.544 42 D HN 0.182 nan 8.370 nan 0.000 0.471 43 R N 1.141 121.700 120.500 0.098 0.000 2.198 43 R HA -0.169 4.164 4.340 -0.013 0.000 0.258 43 R C 1.148 177.518 176.300 0.116 0.000 1.173 43 R CA 1.101 57.294 56.100 0.155 0.000 0.991 43 R CB -0.764 29.632 30.300 0.160 0.000 0.879 43 R HN 0.604 nan 8.270 nan 0.000 0.460 44 N N 0.502 119.242 118.700 0.067 0.000 2.512 44 N HA -0.068 4.664 4.740 -0.013 0.000 0.183 44 N C 1.309 176.838 175.510 0.031 0.000 1.073 44 N CA 1.323 54.403 53.050 0.050 0.000 0.911 44 N CB 0.405 38.912 38.487 0.034 0.000 0.964 44 N HN 0.205 nan 8.380 nan 0.000 0.447 45 V N -2.937 116.982 119.914 0.010 0.000 3.398 45 V HA 0.444 4.557 4.120 -0.013 0.000 0.298 45 V C 0.745 176.807 176.094 -0.053 0.000 1.496 45 V CA -0.604 61.689 62.300 -0.013 0.000 1.044 45 V CB -0.145 31.666 31.823 -0.020 0.000 0.880 45 V HN 0.019 nan 8.190 nan 0.000 0.443 46 A N 2.173 124.937 122.820 -0.093 0.000 2.477 46 A HA 0.582 4.894 4.320 -0.013 0.000 0.246 46 A C 0.720 178.121 177.584 -0.305 0.000 1.078 46 A CA 0.885 52.752 52.037 -0.283 0.000 0.770 46 A CB -0.050 18.657 19.000 -0.489 0.000 1.011 46 A HN 0.763 nan 8.150 nan 0.000 0.494 47 T N -0.002 114.375 114.554 -0.295 0.000 2.949 47 T HA 0.605 4.948 4.350 -0.013 0.000 0.287 47 T C -2.160 172.475 174.700 -0.109 0.000 1.034 47 T CA -1.826 60.200 62.100 -0.123 0.000 1.018 47 T CB 1.368 70.219 68.868 -0.029 0.000 1.135 47 T HN 0.233 nan 8.240 nan 0.000 0.532 48 P HA -0.104 nan 4.420 nan 0.000 0.217 48 P C 1.554 178.979 177.300 0.208 0.000 1.148 48 P CA 0.994 64.245 63.100 0.252 0.000 0.828 48 P CB 0.048 31.855 31.700 0.178 0.000 0.783 49 R N -0.064 120.509 120.500 0.121 0.000 2.092 49 R HA -0.128 4.205 4.340 -0.013 0.000 0.231 49 R C 1.677 178.163 176.300 0.310 0.000 1.119 49 R CA 1.711 57.924 56.100 0.188 0.000 0.970 49 R CB -0.615 29.741 30.300 0.095 0.000 0.864 49 R HN 0.099 nan 8.270 nan 0.000 0.440 50 D N -0.358 120.103 120.400 0.102 0.000 2.117 50 D HA -0.180 4.453 4.640 -0.013 0.000 0.198 50 D C 1.708 178.039 176.300 0.051 0.000 0.982 50 D CA 1.245 55.262 54.000 0.028 0.000 0.828 50 D CB -0.324 40.350 40.800 -0.210 0.000 0.967 50 D HN 0.281 nan 8.370 nan 0.000 0.464 51 Y N 0.235 120.648 120.300 0.189 0.000 2.224 51 Y HA -0.221 4.322 4.550 -0.012 0.000 0.289 51 Y C 2.329 178.375 175.900 0.243 0.000 1.146 51 Y CA 0.361 58.619 58.100 0.264 0.000 1.182 51 Y CB -1.084 37.587 38.460 0.352 0.000 0.983 51 Y HN 0.114 nan 8.280 nan 0.000 0.524 52 Y N -0.770 119.684 120.300 0.257 0.000 2.181 52 Y HA -0.235 4.308 4.550 -0.013 0.000 0.288 52 Y C 1.895 177.774 175.900 -0.036 0.000 1.146 52 Y CA 1.149 59.297 58.100 0.081 0.000 1.164 52 Y CB -1.065 37.342 38.460 -0.088 0.000 0.982 52 Y HN 0.040 nan 8.280 nan 0.000 0.515 53 F N 0.181 119.883 119.950 -0.414 0.000 2.186 53 F HA -0.072 4.448 4.527 -0.012 0.000 0.299 53 F C 2.636 178.255 175.800 -0.300 0.000 1.090 53 F CA 1.207 58.912 58.000 -0.492 0.000 1.307 53 F CB -0.770 38.135 39.000 -0.160 0.000 1.019 53 F HN 0.188 nan 8.300 nan 0.000 0.489 54 A N -0.030 122.729 122.820 -0.103 0.000 1.883 54 A HA -0.201 4.111 4.320 -0.013 0.000 0.217 54 A C 2.069 179.536 177.584 -0.196 0.000 1.186 54 A CA 1.687 53.546 52.037 -0.297 0.000 0.624 54 A CB -1.084 17.382 19.000 -0.889 0.000 0.822 54 A HN 0.340 nan 8.150 nan 0.000 0.444 55 L N -0.188 121.026 121.223 -0.015 0.000 2.017 55 L HA -0.063 4.269 4.340 -0.013 0.000 0.208 55 L C 2.717 179.577 176.870 -0.017 0.000 1.073 55 L CA 2.294 57.260 54.840 0.210 0.000 0.745 55 L CB -1.016 41.234 42.059 0.317 0.000 0.894 55 L HN 0.362 nan 8.230 nan 0.000 0.432 56 A N -1.227 121.404 122.820 -0.314 0.000 1.892 56 A HA -0.316 3.996 4.320 -0.013 0.000 0.218 56 A C 2.179 179.439 177.584 -0.540 0.000 1.188 56 A CA 2.186 53.931 52.037 -0.486 0.000 0.631 56 A CB -1.193 17.178 19.000 -1.049 0.000 0.822 56 A HN 0.700 nan 8.150 nan 0.000 0.447 57 H N -0.893 117.874 119.070 -0.505 0.000 2.387 57 H HA -0.060 4.488 4.556 -0.012 0.000 0.299 57 H C 2.357 177.424 175.328 -0.433 0.000 1.090 57 H CA 1.992 57.670 56.048 -0.616 0.000 1.332 57 H CB -0.110 29.035 29.762 -1.029 0.000 1.386 57 H HN 0.490 nan 8.280 nan 0.000 0.516 58 T N -0.407 114.100 114.554 -0.079 0.000 2.777 58 T HA -0.128 4.214 4.350 -0.013 0.000 0.266 58 T C 2.250 177.129 174.700 0.299 0.000 1.040 58 T CA 1.282 63.523 62.100 0.236 0.000 1.141 58 T CB -0.370 68.701 68.868 0.339 0.000 0.868 58 T HN 0.095 nan 8.240 nan 0.000 0.444 59 V N 1.665 121.719 119.914 0.235 0.000 2.358 59 V HA -0.119 3.994 4.120 -0.013 0.000 0.246 59 V C 2.641 178.927 176.094 0.321 0.000 1.047 59 V CA 1.542 64.022 62.300 0.300 0.000 1.035 59 V CB -0.623 31.369 31.823 0.282 0.000 0.658 59 V HN 0.378 nan 8.190 nan 0.000 0.452 60 R N 0.123 120.761 120.500 0.231 0.000 2.120 60 R HA -0.208 4.124 4.340 -0.013 0.000 0.234 60 R C 1.894 178.307 176.300 0.190 0.000 1.123 60 R CA 1.905 58.145 56.100 0.234 0.000 0.975 60 R CB -0.401 29.888 30.300 -0.018 0.000 0.866 60 R HN 0.462 nan 8.270 nan 0.000 0.446 61 D N -0.042 120.453 120.400 0.159 0.000 2.149 61 D HA -0.159 4.473 4.640 -0.013 0.000 0.198 61 D C 1.688 178.005 176.300 0.028 0.000 0.990 61 D CA 1.095 55.153 54.000 0.096 0.000 0.839 61 D CB -0.336 40.505 40.800 0.068 0.000 0.948 61 D HN 0.437 nan 8.370 nan 0.000 0.460 62 H N -0.253 118.887 119.070 0.117 0.000 2.521 62 H HA -0.003 4.546 4.556 -0.012 0.000 0.286 62 H C 1.924 177.298 175.328 0.076 0.000 1.034 62 H CA 0.671 56.771 56.048 0.087 0.000 1.278 62 H CB 0.351 30.156 29.762 0.071 0.000 1.386 62 H HN 0.272 nan 8.280 nan 0.000 0.567 63 L N -1.307 120.027 121.223 0.185 0.000 2.766 63 L HA 0.173 4.505 4.340 -0.013 0.000 0.242 63 L C 1.909 178.892 176.870 0.187 0.000 1.136 63 L CA -0.003 54.916 54.840 0.130 0.000 0.933 63 L CB -0.038 42.051 42.059 0.050 0.000 1.241 63 L HN -0.120 nan 8.230 nan 0.000 0.522 64 V N -2.119 117.928 119.914 0.221 0.000 2.453 64 V HA 0.080 4.193 4.120 -0.013 0.000 0.247 64 V C 2.514 178.736 176.094 0.213 0.000 1.048 64 V CA 1.565 64.048 62.300 0.305 0.000 1.049 64 V CB -1.688 30.273 31.823 0.229 0.000 0.672 64 V HN 0.354 nan 8.190 nan 0.000 0.457 65 G N 0.221 109.097 108.800 0.128 0.000 2.446 65 G HA2 -0.239 3.714 3.960 -0.013 0.000 0.217 65 G HA3 -0.239 3.714 3.960 -0.013 0.000 0.217 65 G C 1.809 176.761 174.900 0.087 0.000 1.168 65 G CA 1.009 46.157 45.100 0.080 0.000 0.771 65 G HN 0.493 nan 8.290 nan 0.000 0.551 66 R N -1.483 119.077 120.500 0.101 0.000 2.092 66 R HA -0.050 4.283 4.340 -0.013 0.000 0.231 66 R C 2.246 178.630 176.300 0.139 0.000 1.119 66 R CA 0.954 57.100 56.100 0.077 0.000 0.970 66 R CB -0.328 29.999 30.300 0.046 0.000 0.864 66 R HN 0.479 nan 8.270 nan 0.000 0.440 67 W N 1.455 122.738 121.300 -0.029 0.000 2.335 67 W HA -0.115 4.538 4.660 -0.012 0.000 0.311 67 W C 1.650 178.144 176.519 -0.042 0.000 1.213 67 W CA 1.056 58.381 57.345 -0.033 0.000 1.274 67 W CB -0.603 28.858 29.460 0.001 0.000 1.148 67 W HN -0.014 nan 8.180 nan 0.000 0.498 68 I N 0.847 121.475 120.570 0.097 0.000 2.252 68 I HA -0.332 3.831 4.170 -0.013 0.000 0.245 68 I C 2.615 178.717 176.117 -0.026 0.000 1.102 68 I CA 1.770 63.041 61.300 -0.048 0.000 1.385 68 I CB -0.458 37.519 38.000 -0.039 0.000 1.064 68 I HN -0.041 nan 8.210 nan 0.000 0.414 69 R N -0.181 120.321 120.500 0.002 0.000 2.148 69 R HA -0.035 4.297 4.340 -0.013 0.000 0.223 69 R C 2.024 178.292 176.300 -0.053 0.000 1.088 69 R CA 1.487 57.582 56.100 -0.008 0.000 0.985 69 R CB -1.170 29.127 30.300 -0.005 0.000 0.880 69 R HN 0.229 nan 8.270 nan 0.000 0.451 70 T N 1.621 116.115 114.554 -0.099 0.000 2.674 70 T HA -0.109 4.234 4.350 -0.013 0.000 0.265 70 T C 1.862 176.281 174.700 -0.467 0.000 1.039 70 T CA 1.227 63.145 62.100 -0.303 0.000 1.150 70 T CB -0.103 68.626 68.868 -0.231 0.000 0.864 70 T HN 0.185 nan 8.240 nan 0.000 0.427 71 Q N 0.789 120.467 119.800 -0.203 0.000 2.124 71 Q HA -0.087 4.246 4.340 -0.013 0.000 0.202 71 Q C 2.374 178.389 176.000 0.024 0.000 0.977 71 Q CA 1.326 57.085 55.803 -0.073 0.000 0.850 71 Q CB -0.564 28.157 28.738 -0.028 0.000 0.901 71 Q HN 0.469 nan 8.270 nan 0.000 0.429 72 Q N 0.168 119.975 119.800 0.012 0.000 2.084 72 Q HA -0.184 4.149 4.340 -0.013 0.000 0.202 72 Q C 1.899 177.994 176.000 0.158 0.000 0.978 72 Q CA 2.047 57.906 55.803 0.092 0.000 0.844 72 Q CB -0.502 28.269 28.738 0.054 0.000 0.898 72 Q HN 0.570 nan 8.270 nan 0.000 0.426 73 H N -0.890 118.165 119.070 -0.025 0.000 2.289 73 H HA -0.206 4.343 4.556 -0.012 0.000 0.296 73 H C 1.287 176.692 175.328 0.127 0.000 1.091 73 H CA 2.496 58.540 56.048 -0.006 0.000 1.274 73 H CB -0.398 29.291 29.762 -0.122 0.000 1.364 73 H HN 0.365 nan 8.280 nan 0.000 0.490 74 Y N -1.021 119.384 120.300 0.175 0.000 2.315 74 Y HA -0.214 4.328 4.550 -0.013 0.000 0.288 74 Y C 2.392 178.350 175.900 0.095 0.000 1.154 74 Y CA 1.057 59.225 58.100 0.114 0.000 1.229 74 Y CB -1.239 37.323 38.460 0.171 0.000 0.980 74 Y HN 0.427 nan 8.280 nan 0.000 0.540 75 Y N 0.944 121.342 120.300 0.162 0.000 2.286 75 Y HA -0.097 4.445 4.550 -0.013 0.000 0.293 75 Y C 2.018 177.937 175.900 0.031 0.000 1.124 75 Y CA 1.313 59.469 58.100 0.093 0.000 1.178 75 Y CB -0.035 38.465 38.460 0.066 0.000 1.010 75 Y HN 0.010 nan 8.280 nan 0.000 0.536 76 E N 0.424 120.560 120.200 -0.106 0.000 2.008 76 E HA -0.144 4.198 4.350 -0.013 0.000 0.191 76 E C 1.977 178.443 176.600 -0.224 0.000 0.986 76 E CA 1.106 57.378 56.400 -0.213 0.000 0.807 76 E CB -0.222 29.411 29.700 -0.113 0.000 0.766 76 E HN 0.324 nan 8.360 nan 0.000 0.450 77 K N 0.865 121.128 120.400 -0.229 0.000 2.148 77 K HA -0.111 4.201 4.320 -0.013 0.000 0.204 77 K C 0.237 176.783 176.600 -0.091 0.000 1.050 77 K CA 0.722 56.903 56.287 -0.177 0.000 0.942 77 K CB -0.542 31.809 32.500 -0.249 0.000 0.724 77 K HN 0.143 nan 8.250 nan 0.000 0.446 78 D N 0.328 120.695 120.400 -0.054 0.000 2.746 78 D HA -0.101 4.531 4.640 -0.013 0.000 0.241 78 D C -2.349 173.961 176.300 0.016 0.000 1.140 78 D CA 0.112 54.108 54.000 -0.007 0.000 0.707 78 D CB -0.231 40.544 40.800 -0.043 0.000 1.034 78 D HN 0.170 nan 8.370 nan 0.000 0.423 79 P HA 0.168 nan 4.420 nan 0.000 0.282 79 P C -0.235 177.049 177.300 -0.027 0.000 1.287 79 P CA -0.709 62.385 63.100 -0.011 0.000 0.792 79 P CB 0.594 32.275 31.700 -0.032 0.000 1.163 80 K N 0.745 121.125 120.400 -0.034 0.000 2.401 80 K HA 0.098 4.410 4.320 -0.013 0.000 0.278 80 K C -0.179 176.343 176.600 -0.131 0.000 1.018 80 K CA -0.092 56.162 56.287 -0.054 0.000 0.981 80 K CB 0.239 32.720 32.500 -0.032 0.000 0.933 80 K HN 0.220 nan 8.250 nan 0.000 0.477 81 R N 3.696 124.099 120.500 -0.162 0.000 2.368 81 R HA 0.355 4.687 4.340 -0.013 0.000 0.302 81 R C -0.581 175.443 176.300 -0.461 0.000 1.002 81 R CA -0.465 55.459 56.100 -0.294 0.000 0.929 81 R CB 0.875 31.007 30.300 -0.280 0.000 1.073 81 R HN 0.518 nan 8.270 nan 0.000 0.464 82 I N 4.438 124.690 120.570 -0.530 0.000 2.339 82 I HA 0.229 4.392 4.170 -0.013 0.000 0.290 82 I C -0.672 175.150 176.117 -0.491 0.000 0.994 82 I CA -0.724 60.211 61.300 -0.608 0.000 1.191 82 I CB 0.846 38.365 38.000 -0.801 0.000 1.343 82 I HN 0.526 nan 8.210 nan 0.000 0.458 83 Y N 5.715 125.973 120.300 -0.070 0.000 2.356 83 Y HA 0.280 4.823 4.550 -0.012 0.000 0.334 83 Y C -0.250 175.747 175.900 0.162 0.000 0.958 83 Y CA -0.750 57.430 58.100 0.134 0.000 1.196 83 Y CB 1.091 39.576 38.460 0.042 0.000 1.137 83 Y HN 0.402 nan 8.280 nan 0.000 0.485 84 Y N 4.607 125.093 120.300 0.310 0.000 2.595 84 Y HA 0.433 4.976 4.550 -0.012 0.000 0.347 84 Y C -1.055 175.113 175.900 0.447 0.000 1.025 84 Y CA -0.909 57.385 58.100 0.323 0.000 1.295 84 Y CB 0.153 38.812 38.460 0.332 0.000 1.147 84 Y HN 0.520 nan 8.280 nan 0.000 0.515 85 L N 4.937 126.219 121.223 0.100 0.000 2.281 85 L HA 0.421 4.754 4.340 -0.013 0.000 0.285 85 L C -0.104 176.777 176.870 0.019 0.000 1.074 85 L CA 0.266 55.210 54.840 0.173 0.000 0.817 85 L CB 1.110 43.231 42.059 0.104 0.000 1.168 85 L HN 0.576 nan 8.230 nan 0.000 0.434 86 S N 2.742 118.536 115.700 0.156 0.000 2.533 86 S HA 0.476 4.939 4.470 -0.013 0.000 0.271 86 S C 0.181 174.853 174.600 0.120 0.000 1.143 86 S CA -0.573 57.612 58.200 -0.026 0.000 0.891 86 S CB 1.029 63.992 63.200 -0.394 0.000 1.105 86 S HN 0.463 nan 8.310 nan 0.000 0.468 87 L N 2.669 124.003 121.223 0.186 0.000 2.558 87 L HA 0.467 4.800 4.340 -0.013 0.000 0.225 87 L C 0.449 177.498 176.870 0.299 0.000 1.128 87 L CA 1.001 56.018 54.840 0.295 0.000 0.868 87 L CB -0.055 42.188 42.059 0.306 0.000 1.006 87 L HN 0.680 nan 8.230 nan 0.000 0.454 88 E N -1.435 118.807 120.200 0.070 0.000 2.293 88 E HA 0.420 4.762 4.350 -0.013 0.000 0.270 88 E C -1.402 175.056 176.600 -0.238 0.000 0.879 88 E CA -0.462 55.965 56.400 0.045 0.000 0.756 88 E CB 1.886 31.597 29.700 0.019 0.000 1.208 88 E HN -0.158 nan 8.360 nan 0.000 0.428 89 F N 2.206 122.257 119.950 0.167 0.000 3.090 89 F HA 0.154 4.673 4.527 -0.013 0.000 0.381 89 F C -0.892 174.989 175.800 0.135 0.000 1.231 89 F CA -0.713 57.378 58.000 0.151 0.000 1.177 89 F CB 0.878 39.962 39.000 0.140 0.000 1.598 89 F HN 0.490 nan 8.300 nan 0.000 0.589 90 Y N 4.981 125.357 120.300 0.127 0.000 2.570 90 Y HA 0.151 4.693 4.550 -0.012 0.000 0.336 90 Y C 1.191 177.110 175.900 0.031 0.000 1.284 90 Y CA -0.811 57.314 58.100 0.040 0.000 1.761 90 Y CB 0.173 38.641 38.460 0.014 0.000 1.724 90 Y HN 0.521 nan 8.280 nan 0.000 0.455 91 M N 1.048 120.777 119.600 0.215 0.000 2.200 91 M HA 0.077 4.550 4.480 -0.013 0.000 0.265 91 M C 1.578 177.850 176.300 -0.048 0.000 1.066 91 M CA 1.173 56.505 55.300 0.053 0.000 1.127 91 M CB -1.328 31.279 32.600 0.012 0.000 1.379 91 M HN 0.629 nan 8.290 nan 0.000 0.420 92 G N 0.898 109.681 108.800 -0.029 0.000 2.642 92 G HA2 -0.263 3.690 3.960 -0.013 0.000 0.231 92 G HA3 -0.263 3.690 3.960 -0.013 0.000 0.231 92 G C -0.452 174.399 174.900 -0.081 0.000 1.338 92 G CA -0.325 44.719 45.100 -0.095 0.000 0.883 92 G HN 0.450 nan 8.290 nan 0.000 0.570 93 R N -0.575 119.862 120.500 -0.104 0.000 2.679 93 R HA 0.545 4.878 4.340 -0.013 0.000 0.269 93 R C 1.554 177.743 176.300 -0.184 0.000 1.076 93 R CA 0.498 56.548 56.100 -0.083 0.000 1.160 93 R CB 0.731 30.985 30.300 -0.077 0.000 1.054 93 R HN 0.906 nan 8.270 nan 0.000 0.507 94 T N -0.155 114.242 114.554 -0.262 0.000 3.058 94 T HA 0.050 4.392 4.350 -0.013 0.000 0.278 94 T C 1.118 175.443 174.700 -0.624 0.000 0.974 94 T CA -0.273 61.496 62.100 -0.552 0.000 0.893 94 T CB 0.192 68.512 68.868 -0.914 0.000 1.138 94 T HN 0.333 nan 8.240 nan 0.000 0.529 95 L N 1.835 122.927 121.223 -0.218 0.000 1.973 95 L HA 0.179 4.511 4.340 -0.013 0.000 0.208 95 L C 2.611 179.450 176.870 -0.052 0.000 1.073 95 L CA 2.275 57.128 54.840 0.022 0.000 0.746 95 L CB -0.972 41.298 42.059 0.352 0.000 0.891 95 L HN 0.400 nan 8.230 nan 0.000 0.433 96 Q N -0.544 119.228 119.800 -0.047 0.000 2.061 96 Q HA -0.280 4.053 4.340 -0.013 0.000 0.204 96 Q C 2.238 178.172 176.000 -0.111 0.000 0.984 96 Q CA 2.111 57.878 55.803 -0.060 0.000 0.846 96 Q CB -0.417 28.282 28.738 -0.065 0.000 0.902 96 Q HN 0.705 nan 8.270 nan 0.000 0.421 97 N N -1.094 117.501 118.700 -0.175 0.000 2.137 97 N HA -0.160 4.572 4.740 -0.013 0.000 0.190 97 N C 1.329 176.736 175.510 -0.171 0.000 1.017 97 N CA 1.854 54.790 53.050 -0.190 0.000 0.859 97 N CB 0.014 38.351 38.487 -0.249 0.000 1.002 97 N HN 0.263 nan 8.380 nan 0.000 0.428 98 T N 1.053 115.474 114.554 -0.221 0.000 2.857 98 T HA -0.014 4.329 4.350 -0.013 0.000 0.266 98 T C 2.047 176.687 174.700 -0.099 0.000 1.048 98 T CA 0.883 62.867 62.100 -0.192 0.000 1.139 98 T CB -0.017 68.691 68.868 -0.268 0.000 0.874 98 T HN 0.265 nan 8.240 nan 0.000 0.455 99 M N 0.549 120.107 119.600 -0.071 0.000 2.132 99 M HA -0.069 4.403 4.480 -0.013 0.000 0.263 99 M C 2.459 178.730 176.300 -0.050 0.000 1.065 99 M CA 1.215 56.488 55.300 -0.046 0.000 1.122 99 M CB -0.558 32.029 32.600 -0.021 0.000 1.365 99 M HN 0.093 nan 8.290 nan 0.000 0.411 100 V N 0.893 120.783 119.914 -0.040 0.000 2.343 100 V HA -0.259 3.854 4.120 -0.013 0.000 0.247 100 V C 1.721 177.835 176.094 0.033 0.000 1.051 100 V CA 1.813 64.116 62.300 0.004 0.000 1.036 100 V CB -0.814 31.010 31.823 0.003 0.000 0.654 100 V HN 0.469 nan 8.190 nan 0.000 0.451 101 N N -0.469 118.232 118.700 0.003 0.000 2.512 101 N HA -0.017 4.716 4.740 -0.013 0.000 0.183 101 N C 0.999 176.415 175.510 -0.157 0.000 1.073 101 N CA 0.620 53.652 53.050 -0.030 0.000 0.911 101 N CB 0.062 38.539 38.487 -0.016 0.000 0.964 101 N HN 0.273 nan 8.380 nan 0.000 0.447 102 L N -0.365 120.785 121.223 -0.121 0.000 2.766 102 L HA 0.427 4.759 4.340 -0.013 0.000 0.242 102 L C 0.436 177.229 176.870 -0.128 0.000 1.136 102 L CA -0.306 54.462 54.840 -0.121 0.000 0.933 102 L CB -0.742 41.270 42.059 -0.078 0.000 1.241 102 L HN 0.072 nan 8.230 nan 0.000 0.522 103 A N -0.358 122.384 122.820 -0.128 0.000 2.791 103 A HA -0.218 4.094 4.320 -0.013 0.000 0.292 103 A C 1.030 178.560 177.584 -0.089 0.000 1.487 103 A CA 0.977 52.951 52.037 -0.105 0.000 0.760 103 A CB -1.923 17.004 19.000 -0.122 0.000 1.031 103 A HN 0.226 nan 8.150 nan 0.000 0.503 104 L N -0.958 120.212 121.223 -0.088 0.000 2.664 104 L HA 0.260 4.593 4.340 -0.013 0.000 0.233 104 L C 1.823 178.658 176.870 -0.060 0.000 1.113 104 L CA 1.530 56.311 54.840 -0.099 0.000 0.896 104 L CB -0.207 41.769 42.059 -0.138 0.000 1.163 104 L HN 0.619 nan 8.230 nan 0.000 0.497 105 E N -0.152 120.024 120.200 -0.041 0.000 2.070 105 E HA -0.254 4.088 4.350 -0.013 0.000 0.197 105 E C 1.618 178.205 176.600 -0.021 0.000 1.004 105 E CA 1.623 58.008 56.400 -0.023 0.000 0.805 105 E CB 0.237 29.927 29.700 -0.018 0.000 0.744 105 E HN 0.390 nan 8.360 nan 0.000 0.451 106 N N -0.188 118.496 118.700 -0.026 0.000 2.171 106 N HA -0.088 4.645 4.740 -0.013 0.000 0.184 106 N C 1.521 177.015 175.510 -0.027 0.000 1.021 106 N CA 1.222 54.255 53.050 -0.028 0.000 0.854 106 N CB -0.393 38.076 38.487 -0.030 0.000 0.994 106 N HN 0.231 nan 8.380 nan 0.000 0.426 107 A N 0.283 123.085 122.820 -0.030 0.000 1.902 107 A HA -0.152 4.160 4.320 -0.013 0.000 0.217 107 A C 2.639 180.215 177.584 -0.014 0.000 1.181 107 A CA 1.366 53.388 52.037 -0.025 0.000 0.623 107 A CB -1.035 17.942 19.000 -0.038 0.000 0.818 107 A HN 0.441 nan 8.150 nan 0.000 0.443 108 C N -0.909 118.382 119.300 -0.014 0.000 2.440 108 C HA -0.061 4.391 4.460 -0.013 0.000 0.278 108 C C 2.473 177.467 174.990 0.006 0.000 1.295 108 C CA 1.077 60.098 59.018 0.005 0.000 1.738 108 C CB -1.056 26.698 27.740 0.022 0.000 1.987 108 C HN 0.668 nan 8.230 nan 0.000 0.492 109 D N 0.608 121.010 120.400 0.003 0.000 2.117 109 D HA -0.131 4.501 4.640 -0.013 0.000 0.197 109 D C 2.122 178.435 176.300 0.022 0.000 0.987 109 D CA 1.472 55.477 54.000 0.009 0.000 0.829 109 D CB -0.225 40.568 40.800 -0.011 0.000 0.961 109 D HN 0.490 nan 8.370 nan 0.000 0.460 110 E N 0.562 120.764 120.200 0.003 0.000 2.017 110 E HA -0.085 4.258 4.350 -0.013 0.000 0.193 110 E C 1.942 178.584 176.600 0.071 0.000 0.997 110 E CA 1.826 58.241 56.400 0.025 0.000 0.804 110 E CB -0.676 29.022 29.700 -0.003 0.000 0.757 110 E HN 0.163 nan 8.360 nan 0.000 0.448 111 A N -0.086 122.744 122.820 0.016 0.000 1.903 111 A HA -0.276 4.036 4.320 -0.013 0.000 0.219 111 A C 2.524 180.048 177.584 -0.100 0.000 1.191 111 A CA 3.334 55.357 52.037 -0.024 0.000 0.638 111 A CB -1.672 17.314 19.000 -0.023 0.000 0.823 111 A HN 0.564 nan 8.150 nan 0.000 0.451 112 T N -3.851 110.634 114.554 -0.115 0.000 2.867 112 T HA -0.195 4.148 4.350 -0.013 0.000 0.268 112 T C 1.807 176.424 174.700 -0.138 0.000 1.057 112 T CA 1.497 63.464 62.100 -0.222 0.000 1.136 112 T CB -0.542 68.237 68.868 -0.149 0.000 0.874 112 T HN 0.511 nan 8.240 nan 0.000 0.466 113 Y N 2.062 122.282 120.300 -0.133 0.000 2.145 113 Y HA -0.072 4.471 4.550 -0.012 0.000 0.286 113 Y C 2.684 178.521 175.900 -0.105 0.000 1.145 113 Y CA 1.545 59.585 58.100 -0.099 0.000 1.148 113 Y CB -0.497 37.925 38.460 -0.065 0.000 0.981 113 Y HN 0.200 nan 8.280 nan 0.000 0.507 114 Q N -0.757 119.016 119.800 -0.046 0.000 2.226 114 Q HA -0.148 4.184 4.340 -0.013 0.000 0.204 114 Q C 1.566 177.449 176.000 -0.196 0.000 0.975 114 Q CA 0.990 56.722 55.803 -0.119 0.000 0.866 114 Q CB -0.104 28.631 28.738 -0.003 0.000 0.915 114 Q HN 0.359 nan 8.270 nan 0.000 0.440 115 L N -0.766 120.318 121.223 -0.233 0.000 2.599 115 L HA 0.114 4.447 4.340 -0.013 0.000 0.230 115 L C 1.087 177.783 176.870 -0.290 0.000 1.141 115 L CA 1.263 55.940 54.840 -0.271 0.000 0.877 115 L CB -0.538 41.259 42.059 -0.437 0.000 1.009 115 L HN 0.333 nan 8.230 nan 0.000 0.447 116 G N -0.102 108.509 108.800 -0.315 0.000 2.182 116 G HA2 -0.255 3.698 3.960 -0.013 0.000 0.248 116 G HA3 -0.255 3.698 3.960 -0.013 0.000 0.248 116 G C 0.048 174.789 174.900 -0.265 0.000 1.042 116 G CA 0.419 45.335 45.100 -0.306 0.000 0.775 116 G HN 0.313 nan 8.290 nan 0.000 0.501 117 L N -0.555 120.512 121.223 -0.260 0.000 2.354 117 L HA 0.639 4.971 4.340 -0.013 0.000 0.264 117 L C -0.564 176.259 176.870 -0.077 0.000 1.008 117 L CA -1.232 53.491 54.840 -0.195 0.000 0.819 117 L CB 1.900 43.783 42.059 -0.294 0.000 1.339 117 L HN 0.068 nan 8.230 nan 0.000 0.420 118 D N 1.737 122.127 120.400 -0.017 0.000 2.396 118 D HA 0.185 4.818 4.640 -0.013 0.000 0.225 118 D C 0.655 176.985 176.300 0.049 0.000 1.121 118 D CA -0.281 53.741 54.000 0.037 0.000 0.853 118 D CB 1.511 42.338 40.800 0.045 0.000 1.043 118 D HN 0.530 nan 8.370 nan 0.000 0.500 119 M N 3.223 122.855 119.600 0.053 0.000 2.106 119 M HA -0.188 4.284 4.480 -0.013 0.000 0.259 119 M C 1.435 177.780 176.300 0.075 0.000 1.068 119 M CA 1.662 57.002 55.300 0.068 0.000 1.100 119 M CB 0.153 32.787 32.600 0.056 0.000 1.351 119 M HN 0.421 nan 8.290 nan 0.000 0.404 120 E N -0.338 119.898 120.200 0.060 0.000 2.110 120 E HA -0.267 4.075 4.350 -0.013 0.000 0.193 120 E C 1.882 178.518 176.600 0.059 0.000 0.988 120 E CA 1.502 57.935 56.400 0.055 0.000 0.804 120 E CB -0.172 29.558 29.700 0.051 0.000 0.745 120 E HN 0.650 nan 8.360 nan 0.000 0.458 121 E N 0.236 120.475 120.200 0.064 0.000 2.150 121 E HA -0.180 4.162 4.350 -0.013 0.000 0.193 121 E C 1.842 178.485 176.600 0.072 0.000 0.985 121 E CA 0.476 56.914 56.400 0.063 0.000 0.814 121 E CB 0.212 29.951 29.700 0.064 0.000 0.752 121 E HN 0.083 nan 8.360 nan 0.000 0.466 122 L N 1.136 122.423 121.223 0.106 0.000 2.156 122 L HA -0.066 4.267 4.340 -0.013 0.000 0.208 122 L C 1.992 178.921 176.870 0.098 0.000 1.095 122 L CA 1.501 56.436 54.840 0.158 0.000 0.770 122 L CB -0.454 41.753 42.059 0.247 0.000 0.914 122 L HN 0.092 nan 8.230 nan 0.000 0.439 123 E N -0.651 119.596 120.200 0.078 0.000 2.153 123 E HA -0.184 4.158 4.350 -0.013 0.000 0.194 123 E C 1.731 178.290 176.600 -0.068 0.000 0.988 123 E CA 0.664 57.081 56.400 0.027 0.000 0.811 123 E CB 0.103 29.827 29.700 0.040 0.000 0.746 123 E HN 0.351 nan 8.360 nan 0.000 0.466 124 E N 0.065 120.241 120.200 -0.039 0.000 2.418 124 E HA -0.096 4.247 4.350 -0.013 0.000 0.197 124 E C 1.695 178.230 176.600 -0.109 0.000 1.026 124 E CA 0.511 56.888 56.400 -0.039 0.000 0.862 124 E CB 0.121 29.832 29.700 0.017 0.000 0.799 124 E HN 0.397 nan 8.360 nan 0.000 0.518 125 I N 0.682 121.124 120.570 -0.213 0.000 2.876 125 I HA -0.078 4.084 4.170 -0.013 0.000 0.264 125 I C 1.267 177.071 176.117 -0.522 0.000 1.204 125 I CA 0.133 61.244 61.300 -0.316 0.000 1.485 125 I CB 0.225 38.053 38.000 -0.286 0.000 1.103 125 I HN -0.051 nan 8.210 nan 0.000 0.446 126 E N 2.470 122.244 120.200 -0.711 0.000 2.366 126 E HA -0.061 4.281 4.350 -0.013 0.000 0.266 126 E C 0.017 176.507 176.600 -0.183 0.000 1.015 126 E CA -0.125 55.903 56.400 -0.621 0.000 0.906 126 E CB 0.576 30.025 29.700 -0.419 0.000 0.979 126 E HN 0.103 nan 8.360 nan 0.000 0.443 127 E N 3.162 123.344 120.200 -0.031 0.000 2.366 127 E HA 0.061 4.404 4.350 -0.013 0.000 0.266 127 E C -1.071 175.626 176.600 0.161 0.000 1.051 127 E CA -0.348 56.121 56.400 0.116 0.000 0.884 127 E CB 0.783 30.632 29.700 0.248 0.000 1.006 127 E HN 0.395 nan 8.360 nan 0.000 0.417 128 D N 1.558 122.034 120.400 0.127 0.000 2.382 128 D HA 0.268 4.901 4.640 -0.013 0.000 0.245 128 D C -0.863 175.476 176.300 0.065 0.000 1.120 128 D CA 0.233 54.280 54.000 0.079 0.000 0.890 128 D CB 1.030 41.859 40.800 0.049 0.000 1.201 128 D HN 0.436 nan 8.370 nan 0.000 0.433 129 A N 2.271 125.078 122.820 -0.021 0.000 2.923 129 A HA 0.467 4.780 4.320 -0.013 0.000 0.306 129 A C 0.971 178.413 177.584 -0.237 0.000 1.542 129 A CA -0.502 51.350 52.037 -0.308 0.000 1.225 129 A CB -0.306 18.587 19.000 -0.178 0.000 1.147 129 A HN 0.532 nan 8.150 nan 0.000 0.542 130 G N 1.659 110.284 108.800 -0.293 0.000 3.581 130 G HA2 0.391 4.343 3.960 -0.013 0.000 0.255 130 G HA3 0.391 4.343 3.960 -0.013 0.000 0.255 130 G C 0.303 174.988 174.900 -0.359 0.000 1.121 130 G CA -0.268 44.732 45.100 -0.167 0.000 1.739 130 G HN 0.682 nan 8.290 nan 0.000 0.646 131 L N 1.420 122.478 121.223 -0.276 0.000 2.955 131 L HA 0.417 4.749 4.340 -0.013 0.000 0.238 131 L C 0.972 177.763 176.870 -0.132 0.000 1.359 131 L CA -0.292 54.475 54.840 -0.121 0.000 1.214 131 L CB -0.352 41.759 42.059 0.087 0.000 1.600 131 L HN 0.286 nan 8.230 nan 0.000 0.442 132 G N -1.122 107.374 108.800 -0.508 0.000 2.646 132 G HA2 0.212 4.165 3.960 -0.013 0.000 0.291 132 G HA3 0.212 4.165 3.960 -0.013 0.000 0.291 132 G C -0.237 174.165 174.900 -0.829 0.000 1.445 132 G CA -0.449 44.297 45.100 -0.589 0.000 0.814 132 G HN -0.039 nan 8.290 nan 0.000 0.495 133 N N -0.796 117.661 118.700 -0.405 0.000 2.428 133 N HA 0.210 4.943 4.740 -0.013 0.000 0.181 133 N C 1.180 176.671 175.510 -0.032 0.000 1.028 133 N CA 1.272 54.191 53.050 -0.219 0.000 0.877 133 N CB 1.233 39.699 38.487 -0.035 0.000 1.064 133 N HN 0.777 nan 8.380 nan 0.000 0.434 134 G N -0.680 108.181 108.800 0.102 0.000 3.078 134 G HA2 0.237 4.190 3.960 -0.013 0.000 0.131 134 G HA3 0.237 4.190 3.960 -0.013 0.000 0.131 134 G C 0.760 175.788 174.900 0.215 0.000 1.219 134 G CA 0.321 45.570 45.100 0.247 0.000 1.319 134 G HN 0.192 nan 8.290 nan 0.000 0.653 135 G N 0.506 109.379 108.800 0.121 0.000 2.491 135 G HA2 -0.131 3.821 3.960 -0.013 0.000 0.218 135 G HA3 -0.131 3.821 3.960 -0.013 0.000 0.218 135 G C 1.904 176.815 174.900 0.018 0.000 1.180 135 G CA 1.500 46.636 45.100 0.060 0.000 0.774 135 G HN 0.781 nan 8.290 nan 0.000 0.562 136 L N 0.722 121.930 121.223 -0.024 0.000 2.042 136 L HA 0.019 4.351 4.340 -0.013 0.000 0.210 136 L C 2.835 179.656 176.870 -0.082 0.000 1.076 136 L CA 2.176 56.927 54.840 -0.148 0.000 0.749 136 L CB -0.590 41.340 42.059 -0.215 0.000 0.893 136 L HN 0.255 nan 8.230 nan 0.000 0.432 137 G N -0.876 107.930 108.800 0.009 0.000 2.402 137 G HA2 -0.243 3.710 3.960 -0.013 0.000 0.216 137 G HA3 -0.243 3.710 3.960 -0.013 0.000 0.216 137 G C 1.698 176.681 174.900 0.138 0.000 1.162 137 G CA 0.280 45.409 45.100 0.047 0.000 0.777 137 G HN 0.188 nan 8.290 nan 0.000 0.539 138 R N -0.018 120.598 120.500 0.193 0.000 2.115 138 R HA 0.115 4.447 4.340 -0.013 0.000 0.226 138 R C 2.466 178.789 176.300 0.037 0.000 1.100 138 R CA 0.628 56.815 56.100 0.145 0.000 0.980 138 R CB -0.858 29.494 30.300 0.087 0.000 0.875 138 R HN 0.413 nan 8.270 nan 0.000 0.445 139 L N 0.643 121.822 121.223 -0.074 0.000 2.017 139 L HA -0.090 4.243 4.340 -0.013 0.000 0.208 139 L C 2.214 178.823 176.870 -0.435 0.000 1.073 139 L CA 2.184 56.846 54.840 -0.297 0.000 0.745 139 L CB -0.712 41.132 42.059 -0.357 0.000 0.894 139 L HN 0.165 nan 8.230 nan 0.000 0.432 140 A N -0.558 122.123 122.820 -0.232 0.000 1.908 140 A HA -0.188 4.125 4.320 -0.013 0.000 0.218 140 A C 2.437 180.084 177.584 0.106 0.000 1.181 140 A CA 1.988 53.961 52.037 -0.108 0.000 0.627 140 A CB -1.181 17.739 19.000 -0.134 0.000 0.818 140 A HN 0.587 nan 8.150 nan 0.000 0.445 141 A N -1.175 121.741 122.820 0.160 0.000 1.898 141 A HA -0.145 4.168 4.320 -0.013 0.000 0.216 141 A C 2.312 179.974 177.584 0.130 0.000 1.181 141 A CA 1.633 53.784 52.037 0.190 0.000 0.620 141 A CB -1.225 17.874 19.000 0.165 0.000 0.819 141 A HN 0.600 nan 8.150 nan 0.000 0.442 142 C N -1.580 117.797 119.300 0.129 0.000 2.440 142 C HA -0.033 4.420 4.460 -0.013 0.000 0.278 142 C C 2.415 177.568 174.990 0.272 0.000 1.295 142 C CA 0.518 59.650 59.018 0.189 0.000 1.738 142 C CB -1.591 26.286 27.740 0.228 0.000 1.987 142 C HN 0.600 nan 8.230 nan 0.000 0.492 143 F N 0.625 120.565 119.950 -0.018 0.000 2.095 143 F HA -0.093 4.427 4.527 -0.013 0.000 0.298 143 F C 2.140 177.887 175.800 -0.088 0.000 1.104 143 F CA 1.107 59.046 58.000 -0.101 0.000 1.232 143 F CB -1.394 37.414 39.000 -0.321 0.000 0.987 143 F HN 0.080 nan 8.300 nan 0.000 0.475 144 L N 0.441 121.746 121.223 0.136 0.000 2.013 144 L HA -0.256 4.076 4.340 -0.013 0.000 0.212 144 L C 2.435 179.321 176.870 0.027 0.000 1.073 144 L CA 2.035 56.909 54.840 0.057 0.000 0.753 144 L CB -1.288 40.809 42.059 0.063 0.000 0.890 144 L HN 0.211 nan 8.230 nan 0.000 0.432 145 D N -1.383 119.040 120.400 0.038 0.000 2.123 145 D HA -0.173 4.459 4.640 -0.013 0.000 0.196 145 D C 1.905 178.223 176.300 0.030 0.000 0.992 145 D CA 1.571 55.579 54.000 0.013 0.000 0.833 145 D CB 0.413 41.217 40.800 0.007 0.000 0.954 145 D HN 0.323 nan 8.370 nan 0.000 0.455 146 S N -0.211 115.524 115.700 0.058 0.000 2.387 146 S HA -0.043 4.420 4.470 -0.013 0.000 0.226 146 S C 2.120 176.734 174.600 0.024 0.000 1.026 146 S CA 0.682 58.909 58.200 0.045 0.000 0.972 146 S CB -0.091 63.142 63.200 0.055 0.000 0.814 146 S HN 0.336 nan 8.310 nan 0.000 0.477 147 M N 0.912 120.519 119.600 0.012 0.000 2.213 147 M HA -0.081 4.391 4.480 -0.013 0.000 0.263 147 M C 2.360 178.660 176.300 0.000 0.000 1.062 147 M CA 1.290 56.592 55.300 0.004 0.000 1.105 147 M CB -0.431 32.155 32.600 -0.023 0.000 1.385 147 M HN 0.392 nan 8.290 nan 0.000 0.417 148 A N -0.331 122.488 122.820 -0.003 0.000 1.897 148 A HA -0.102 4.211 4.320 -0.013 0.000 0.215 148 A C 2.149 179.744 177.584 0.018 0.000 1.181 148 A CA 1.874 53.910 52.037 -0.002 0.000 0.620 148 A CB -1.007 17.978 19.000 -0.025 0.000 0.821 148 A HN 0.390 nan 8.150 nan 0.000 0.443 149 T N 0.304 114.876 114.554 0.030 0.000 2.881 149 T HA 0.010 4.352 4.350 -0.013 0.000 0.270 149 T C 1.267 175.994 174.700 0.046 0.000 1.068 149 T CA 1.014 63.146 62.100 0.053 0.000 1.131 149 T CB -0.254 68.657 68.868 0.072 0.000 0.871 149 T HN 0.321 nan 8.240 nan 0.000 0.479 150 L N 0.460 121.706 121.223 0.038 0.000 2.653 150 L HA 0.304 4.637 4.340 -0.013 0.000 0.231 150 L C 1.535 178.429 176.870 0.041 0.000 1.153 150 L CA -0.152 54.712 54.840 0.039 0.000 0.933 150 L CB -0.370 41.713 42.059 0.040 0.000 1.175 150 L HN 0.377 nan 8.230 nan 0.000 0.473 151 G N 1.358 110.183 108.800 0.042 0.000 2.305 151 G HA2 -0.285 3.667 3.960 -0.013 0.000 0.287 151 G HA3 -0.285 3.667 3.960 -0.013 0.000 0.287 151 G C 0.033 174.962 174.900 0.049 0.000 1.036 151 G CA 0.093 45.230 45.100 0.060 0.000 0.887 151 G HN 0.293 nan 8.290 nan 0.000 0.505 152 L N -0.250 120.976 121.223 0.005 0.000 2.334 152 L HA 0.625 4.957 4.340 -0.013 0.000 0.277 152 L C 1.186 177.918 176.870 -0.231 0.000 1.075 152 L CA -0.475 54.320 54.840 -0.075 0.000 0.804 152 L CB 1.725 43.760 42.059 -0.041 0.000 1.174 152 L HN 0.264 nan 8.230 nan 0.000 0.438 153 A N 3.143 125.692 122.820 -0.453 0.000 3.026 153 A HA 0.540 4.853 4.320 -0.013 0.000 0.272 153 A C 0.356 177.587 177.584 -0.587 0.000 1.782 153 A CA -0.126 51.370 52.037 -0.903 0.000 1.451 153 A CB -0.704 17.712 19.000 -0.974 0.000 1.081 153 A HN 0.694 nan 8.150 nan 0.000 0.611 154 A N 1.393 123.916 122.820 -0.495 0.000 2.337 154 A HA 0.783 5.095 4.320 -0.013 0.000 0.329 154 A C -0.985 176.340 177.584 -0.431 0.000 1.146 154 A CA -0.468 51.340 52.037 -0.381 0.000 0.800 154 A CB 0.738 19.592 19.000 -0.244 0.000 1.220 154 A HN 0.606 nan 8.150 nan 0.000 0.472 155 Y N 0.436 120.692 120.300 -0.074 0.000 2.361 155 Y HA 0.538 5.080 4.550 -0.012 0.000 0.337 155 Y C 0.873 176.892 175.900 0.200 0.000 0.965 155 Y CA -0.589 57.554 58.100 0.071 0.000 1.091 155 Y CB 2.340 40.948 38.460 0.247 0.000 1.182 155 Y HN 0.820 nan 8.280 nan 0.000 0.450 156 G N 2.232 111.136 108.800 0.174 0.000 2.325 156 G HA2 0.426 4.379 3.960 -0.013 0.000 0.298 156 G HA3 0.426 4.379 3.960 -0.013 0.000 0.298 156 G C -1.731 173.195 174.900 0.043 0.000 1.134 156 G CA -0.228 44.991 45.100 0.199 0.000 0.876 156 G HN 0.536 nan 8.290 nan 0.000 0.452 157 Y N 1.209 121.743 120.300 0.390 0.000 2.331 157 Y HA 0.613 5.155 4.550 -0.013 0.000 0.334 157 Y C 0.746 176.956 175.900 0.517 0.000 0.960 157 Y CA 0.193 58.490 58.100 0.329 0.000 1.130 157 Y CB 2.578 41.252 38.460 0.357 0.000 1.164 157 Y HN 0.865 nan 8.280 nan 0.000 0.458 158 G N 2.543 111.655 108.800 0.521 0.000 2.846 158 G HA2 0.584 4.536 3.960 -0.013 0.000 0.299 158 G HA3 0.584 4.536 3.960 -0.013 0.000 0.299 158 G C -1.713 173.437 174.900 0.417 0.000 1.242 158 G CA -0.800 44.652 45.100 0.586 0.000 0.800 158 G HN 0.411 nan 8.290 nan 0.000 0.538 159 I N 0.622 121.340 120.570 0.247 0.000 2.441 159 I HA 0.423 4.585 4.170 -0.013 0.000 0.295 159 I C 0.123 176.153 176.117 -0.146 0.000 0.994 159 I CA -0.718 60.611 61.300 0.048 0.000 1.144 159 I CB 2.210 40.037 38.000 -0.289 0.000 1.314 159 I HN 0.370 nan 8.210 nan 0.000 0.445 160 R N 6.291 126.797 120.500 0.011 0.000 2.593 160 R HA 0.251 4.584 4.340 -0.013 0.000 0.282 160 R C -1.288 175.056 176.300 0.074 0.000 1.300 160 R CA -0.436 55.700 56.100 0.060 0.000 1.221 160 R CB -0.017 30.296 30.300 0.021 0.000 1.157 160 R HN 0.388 nan 8.270 nan 0.000 0.555 161 Y N 1.686 122.137 120.300 0.251 0.000 2.425 161 Y HA -0.032 4.511 4.550 -0.013 0.000 0.331 161 Y C 1.494 177.569 175.900 0.291 0.000 1.157 161 Y CA -0.090 58.145 58.100 0.225 0.000 1.372 161 Y CB 0.932 39.503 38.460 0.186 0.000 1.253 161 Y HN 0.565 nan 8.280 nan 0.000 0.536 162 E N 1.249 121.611 120.200 0.271 0.000 2.442 162 E HA 0.056 4.399 4.350 -0.013 0.000 0.195 162 E C -0.805 175.662 176.600 -0.221 0.000 1.030 162 E CA 0.426 56.809 56.400 -0.029 0.000 0.869 162 E CB 0.102 29.589 29.700 -0.354 0.000 0.857 162 E HN 0.448 nan 8.360 nan 0.000 0.505 163 F N 1.083 121.272 119.950 0.399 0.000 2.553 163 F HA 0.461 4.981 4.527 -0.013 0.000 0.335 163 F C 0.843 176.733 175.800 0.149 0.000 1.148 163 F CA -1.124 57.050 58.000 0.291 0.000 0.963 163 F CB 2.053 41.153 39.000 0.167 0.000 1.217 163 F HN -0.053 nan 8.300 nan 0.000 0.441 164 G N 1.952 110.868 108.800 0.193 0.000 2.504 164 G HA2 0.309 4.261 3.960 -0.013 0.000 0.257 164 G HA3 0.309 4.261 3.960 -0.013 0.000 0.257 164 G C -0.459 174.398 174.900 -0.070 0.000 1.451 164 G CA -0.637 44.415 45.100 -0.080 0.000 1.059 164 G HN 0.515 nan 8.290 nan 0.000 0.550 165 I N 0.876 121.327 120.570 -0.199 0.000 2.710 165 I HA 0.221 4.383 4.170 -0.013 0.000 0.286 165 I C 0.598 176.618 176.117 -0.162 0.000 1.181 165 I CA -1.110 60.045 61.300 -0.243 0.000 1.430 165 I CB -0.231 37.527 38.000 -0.402 0.000 1.367 165 I HN 0.341 nan 8.210 nan 0.000 0.577 166 F N 6.252 126.211 119.950 0.016 0.000 2.586 166 F HA 0.238 4.758 4.527 -0.012 0.000 0.344 166 F C 0.430 176.279 175.800 0.081 0.000 1.188 166 F CA -0.481 57.550 58.000 0.051 0.000 1.359 166 F CB -0.243 38.776 39.000 0.030 0.000 1.129 166 F HN 0.429 nan 8.300 nan 0.000 0.609 167 N N 2.070 120.960 118.700 0.316 0.000 2.444 167 N HA 0.075 4.807 4.740 -0.013 0.000 0.271 167 N C -0.919 174.833 175.510 0.402 0.000 1.069 167 N CA -0.364 52.834 53.050 0.247 0.000 0.965 167 N CB 1.335 39.953 38.487 0.220 0.000 1.092 167 N HN 0.762 nan 8.380 nan 0.000 0.476 168 Q N 2.474 122.484 119.800 0.350 0.000 2.267 168 Q HA 0.193 4.526 4.340 -0.013 0.000 0.255 168 Q C -0.967 175.210 176.000 0.294 0.000 0.923 168 Q CA -0.207 55.842 55.803 0.410 0.000 0.925 168 Q CB 0.775 29.762 28.738 0.415 0.000 1.195 168 Q HN 0.260 nan 8.270 nan 0.000 0.417 169 K N 4.485 125.034 120.400 0.247 0.000 2.324 169 K HA 0.435 4.748 4.320 -0.013 0.000 0.253 169 K C -0.879 175.824 176.600 0.171 0.000 0.932 169 K CA -0.923 55.484 56.287 0.199 0.000 0.799 169 K CB 1.578 34.172 32.500 0.157 0.000 1.154 169 K HN 0.633 nan 8.250 nan 0.000 0.425 170 I N 2.760 123.427 120.570 0.162 0.000 2.312 170 I HA 0.194 4.356 4.170 -0.013 0.000 0.290 170 I C -0.118 176.062 176.117 0.105 0.000 1.008 170 I CA -0.681 60.684 61.300 0.110 0.000 1.226 170 I CB 0.582 38.631 38.000 0.081 0.000 1.371 170 I HN 0.464 nan 8.210 nan 0.000 0.468 171 C N 4.255 123.627 119.300 0.121 0.000 2.322 171 C HA 0.580 5.033 4.460 -0.013 0.000 0.324 171 C C 1.157 176.252 174.990 0.175 0.000 1.249 171 C CA -0.325 58.769 59.018 0.126 0.000 1.453 171 C CB 0.418 28.227 27.740 0.114 0.000 2.145 171 C HN 1.085 nan 8.230 nan 0.000 0.466 172 G N 2.761 111.635 108.800 0.123 0.000 2.249 172 G HA2 0.088 4.041 3.960 -0.013 0.000 0.273 172 G HA3 0.088 4.041 3.960 -0.013 0.000 0.273 172 G C 1.089 176.008 174.900 0.032 0.000 1.036 172 G CA 0.977 46.156 45.100 0.131 0.000 0.824 172 G HN 2.335 nan 8.290 nan 0.000 0.504 173 G N -2.953 105.811 108.800 -0.061 0.000 2.179 173 G HA2 -0.297 3.655 3.960 -0.013 0.000 0.260 173 G HA3 -0.297 3.655 3.960 -0.013 0.000 0.260 173 G C 0.399 175.057 174.900 -0.403 0.000 0.977 173 G CA 0.708 45.647 45.100 -0.268 0.000 0.641 173 G HN 1.193 nan 8.290 nan 0.000 0.533 174 W N 0.668 121.918 121.300 -0.083 0.000 2.516 174 W HA 0.673 5.326 4.660 -0.012 0.000 0.343 174 W C 0.632 177.102 176.519 -0.082 0.000 1.094 174 W CA -0.853 56.436 57.345 -0.093 0.000 1.250 174 W CB 0.795 30.215 29.460 -0.066 0.000 1.308 174 W HN 0.247 nan 8.180 nan 0.000 0.588 175 Q N 2.484 122.396 119.800 0.186 0.000 2.314 175 Q HA 0.328 4.660 4.340 -0.013 0.000 0.258 175 Q C -0.739 175.321 176.000 0.100 0.000 0.954 175 Q CA -0.040 55.834 55.803 0.117 0.000 0.890 175 Q CB 0.656 29.455 28.738 0.101 0.000 1.210 175 Q HN 0.296 nan 8.270 nan 0.000 0.410 176 M N 3.158 122.810 119.600 0.087 0.000 2.326 176 M HA 0.376 4.848 4.480 -0.013 0.000 0.306 176 M C -1.273 175.035 176.300 0.013 0.000 1.054 176 M CA -0.630 54.690 55.300 0.033 0.000 0.922 176 M CB 1.718 34.354 32.600 0.059 0.000 1.632 176 M HN 0.628 nan 8.290 nan 0.000 0.436 177 E N 1.920 122.051 120.200 -0.115 0.000 2.231 177 E HA 0.523 4.866 4.350 -0.013 0.000 0.277 177 E C -0.563 176.017 176.600 -0.034 0.000 0.999 177 E CA -0.531 55.756 56.400 -0.188 0.000 0.827 177 E CB 1.711 31.022 29.700 -0.648 0.000 1.101 177 E HN 0.534 nan 8.360 nan 0.000 0.393 178 E N 1.364 121.624 120.200 0.100 0.000 2.308 178 E HA 0.608 4.951 4.350 -0.013 0.000 0.275 178 E C -1.232 175.449 176.600 0.136 0.000 0.890 178 E CA -1.294 55.157 56.400 0.086 0.000 0.754 178 E CB 1.324 31.083 29.700 0.098 0.000 1.207 178 E HN 0.522 nan 8.360 nan 0.000 0.426 179 A N 2.954 125.806 122.820 0.053 0.000 2.584 179 A HA 0.007 4.320 4.320 -0.013 0.000 0.239 179 A C 0.055 177.777 177.584 0.231 0.000 1.043 179 A CA 0.744 52.810 52.037 0.049 0.000 0.756 179 A CB -0.060 18.816 19.000 -0.206 0.000 0.963 179 A HN 0.689 nan 8.150 nan 0.000 0.511 180 D N 1.778 122.392 120.400 0.356 0.000 2.500 180 D HA 0.175 4.807 4.640 -0.013 0.000 0.219 180 D C -0.498 176.155 176.300 0.587 0.000 1.137 180 D CA -0.261 53.975 54.000 0.394 0.000 0.946 180 D CB 0.352 41.324 40.800 0.287 0.000 1.022 180 D HN 0.361 nan 8.370 nan 0.000 0.518 181 D N 3.927 124.639 120.400 0.520 0.000 2.688 181 D HA -0.032 4.601 4.640 -0.013 0.000 0.228 181 D C 1.109 177.590 176.300 0.302 0.000 1.116 181 D CA -0.513 53.737 54.000 0.418 0.000 1.023 181 D CB -0.126 40.896 40.800 0.369 0.000 1.100 181 D HN 0.595 nan 8.370 nan 0.000 0.487 182 W N 2.295 123.665 121.300 0.116 0.000 2.525 182 W HA -0.058 4.594 4.660 -0.012 0.000 0.259 182 W C 0.245 176.836 176.519 0.120 0.000 1.253 182 W CA 0.075 57.494 57.345 0.124 0.000 1.262 182 W CB -0.765 28.764 29.460 0.114 0.000 1.122 182 W HN 0.199 nan 8.180 nan 0.000 0.607 183 L N 0.819 121.710 121.223 -0.555 0.000 2.607 183 L HA 0.169 4.502 4.340 -0.013 0.000 0.228 183 L C 2.763 179.498 176.870 -0.225 0.000 1.123 183 L CA 0.008 54.496 54.840 -0.587 0.000 0.890 183 L CB -0.643 40.932 42.059 -0.806 0.000 1.103 183 L HN -0.116 nan 8.230 nan 0.000 0.468 184 R N 0.785 121.225 120.500 -0.101 0.000 2.159 184 R HA -0.262 4.071 4.340 -0.013 0.000 0.252 184 R C 1.352 177.524 176.300 -0.213 0.000 1.144 184 R CA 2.310 58.337 56.100 -0.122 0.000 0.961 184 R CB -0.268 30.004 30.300 -0.046 0.000 0.877 184 R HN 0.336 nan 8.270 nan 0.000 0.444 185 Y N -0.758 119.556 120.300 0.024 0.000 2.458 185 Y HA 0.332 4.875 4.550 -0.012 0.000 0.256 185 Y C 0.770 176.662 175.900 -0.013 0.000 1.159 185 Y CA 0.333 58.452 58.100 0.032 0.000 1.261 185 Y CB 1.259 39.835 38.460 0.194 0.000 1.119 185 Y HN 0.469 nan 8.280 nan 0.000 0.524 186 G N 1.380 110.233 108.800 0.089 0.000 2.662 186 G HA2 -0.204 3.749 3.960 -0.013 0.000 0.686 186 G HA3 -0.204 3.749 3.960 -0.013 0.000 0.686 186 G C -1.380 173.598 174.900 0.130 0.000 1.271 186 G CA -0.867 44.252 45.100 0.031 0.000 0.816 186 G HN 0.196 nan 8.290 nan 0.000 0.608 187 N N 1.242 119.963 118.700 0.034 0.000 2.573 187 N HA 0.532 5.264 4.740 -0.013 0.000 0.262 187 N C -0.854 174.653 175.510 -0.006 0.000 1.029 187 N CA -1.998 51.089 53.050 0.062 0.000 0.882 187 N CB 2.046 40.516 38.487 -0.029 0.000 1.204 187 N HN 0.247 nan 8.380 nan 0.000 0.519 188 P HA 0.012 nan 4.420 nan 0.000 0.234 188 P C 0.546 177.480 177.300 -0.609 0.000 1.167 188 P CA 0.692 63.461 63.100 -0.552 0.000 0.763 188 P CB 0.086 31.176 31.700 -1.018 0.000 0.835 189 W N 1.693 123.006 121.300 0.022 0.000 2.539 189 W HA 0.071 4.724 4.660 -0.012 0.000 0.281 189 W C 1.340 177.902 176.519 0.071 0.000 1.220 189 W CA -0.342 57.012 57.345 0.015 0.000 1.332 189 W CB -0.306 29.162 29.460 0.015 0.000 1.095 189 W HN -0.044 nan 8.180 nan 0.000 0.571 190 E N 1.972 122.353 120.200 0.302 0.000 2.373 190 E HA 0.236 4.579 4.350 -0.013 0.000 0.263 190 E C -0.569 176.207 176.600 0.294 0.000 1.073 190 E CA -0.488 56.098 56.400 0.311 0.000 0.894 190 E CB 1.160 31.054 29.700 0.323 0.000 1.008 190 E HN -0.306 nan 8.360 nan 0.000 0.420 191 K N 1.639 122.232 120.400 0.322 0.000 2.559 191 K HA 0.394 4.707 4.320 -0.013 0.000 0.249 191 K C -1.204 175.439 176.600 0.070 0.000 0.958 191 K CA -0.419 55.994 56.287 0.210 0.000 0.901 191 K CB 1.408 34.048 32.500 0.232 0.000 1.124 191 K HN 0.659 nan 8.250 nan 0.000 0.437 192 A N 4.128 126.906 122.820 -0.071 0.000 2.511 192 A HA 0.308 4.621 4.320 -0.013 0.000 0.242 192 A C -0.235 177.167 177.584 -0.303 0.000 1.069 192 A CA -0.006 51.726 52.037 -0.508 0.000 0.763 192 A CB 0.205 18.919 19.000 -0.478 0.000 1.001 192 A HN 0.673 nan 8.150 nan 0.000 0.498 193 R N 3.369 123.678 120.500 -0.319 0.000 2.748 193 R HA 0.199 4.531 4.340 -0.013 0.000 0.283 193 R C -2.356 173.829 176.300 -0.192 0.000 1.507 193 R CA -1.588 54.412 56.100 -0.166 0.000 1.666 193 R CB 0.804 31.180 30.300 0.128 0.000 1.237 193 R HN 0.573 nan 8.270 nan 0.000 0.633 194 P HA -0.195 nan 4.420 nan 0.000 0.219 194 P C 0.909 178.112 177.300 -0.162 0.000 1.146 194 P CA 1.188 64.202 63.100 -0.142 0.000 0.808 194 P CB 0.350 31.975 31.700 -0.124 0.000 0.779 195 E N -0.038 119.952 120.200 -0.349 0.000 2.418 195 E HA -0.124 4.218 4.350 -0.013 0.000 0.197 195 E C 0.799 177.155 176.600 -0.407 0.000 1.026 195 E CA 0.686 56.822 56.400 -0.440 0.000 0.862 195 E CB -0.929 28.380 29.700 -0.652 0.000 0.799 195 E HN 0.375 nan 8.360 nan 0.000 0.518 196 F N 1.569 121.535 119.950 0.026 0.000 2.708 196 F HA 0.234 4.753 4.527 -0.012 0.000 0.300 196 F C 0.529 176.420 175.800 0.151 0.000 1.118 196 F CA -0.698 57.347 58.000 0.075 0.000 1.307 196 F CB 0.660 39.700 39.000 0.067 0.000 0.986 196 F HN -0.279 nan 8.300 nan 0.000 0.522 197 T N 2.935 117.627 114.554 0.230 0.000 2.940 197 T HA 0.204 4.547 4.350 -0.013 0.000 0.309 197 T C -0.226 174.580 174.700 0.177 0.000 1.056 197 T CA 0.368 62.603 62.100 0.225 0.000 1.137 197 T CB 0.777 69.727 68.868 0.138 0.000 0.976 197 T HN -0.118 nan 8.240 nan 0.000 0.547 198 L N 5.284 126.583 121.223 0.127 0.000 2.354 198 L HA 0.623 4.956 4.340 -0.013 0.000 0.264 198 L C -2.250 174.586 176.870 -0.057 0.000 1.008 198 L CA -2.592 52.250 54.840 0.004 0.000 0.819 198 L CB 1.942 43.934 42.059 -0.112 0.000 1.339 198 L HN 0.390 nan 8.230 nan 0.000 0.420 199 P HA 0.445 nan 4.420 nan 0.000 0.292 199 P C -1.306 175.852 177.300 -0.237 0.000 1.283 199 P CA -0.494 62.521 63.100 -0.142 0.000 0.835 199 P CB 2.061 33.674 31.700 -0.145 0.000 1.017 200 V N 3.696 123.453 119.914 -0.263 0.000 2.588 200 V HA 0.330 4.442 4.120 -0.013 0.000 0.304 200 V C 0.072 175.920 176.094 -0.409 0.000 1.042 200 V CA -0.606 61.527 62.300 -0.279 0.000 0.877 200 V CB 1.603 33.336 31.823 -0.150 0.000 0.996 200 V HN 0.615 nan 8.190 nan 0.000 0.425 201 H N 3.817 122.697 119.070 -0.318 0.000 2.502 201 H HA 0.639 5.187 4.556 -0.013 0.000 0.338 201 H C -1.329 173.568 175.328 -0.718 0.000 1.155 201 H CA -0.179 55.568 56.048 -0.502 0.000 1.237 201 H CB 1.938 31.172 29.762 -0.880 0.000 1.534 201 H HN 0.467 nan 8.280 nan 0.000 0.523 202 F N -0.128 119.815 119.950 -0.011 0.000 2.613 202 F HA 0.201 4.721 4.527 -0.013 0.000 0.310 202 F C -0.315 175.552 175.800 0.113 0.000 1.085 202 F CA -0.564 57.439 58.000 0.005 0.000 0.945 202 F CB 1.089 40.035 39.000 -0.090 0.000 1.298 202 F HN 0.570 nan 8.300 nan 0.000 0.455 203 Y N 0.283 120.829 120.300 0.409 0.000 2.896 203 Y HA -0.025 4.518 4.550 -0.012 0.000 0.466 203 Y C 1.402 177.506 175.900 0.341 0.000 1.197 203 Y CA 0.669 58.942 58.100 0.289 0.000 2.513 203 Y CB -1.922 36.636 38.460 0.164 0.000 1.232 203 Y HN 1.309 nan 8.280 nan 0.000 0.632 204 G N 0.773 109.804 108.800 0.385 0.000 2.645 204 G HA2 0.084 4.037 3.960 -0.013 0.000 0.239 204 G HA3 0.084 4.037 3.960 -0.013 0.000 0.239 204 G C -0.504 174.586 174.900 0.316 0.000 1.331 204 G CA 0.960 46.211 45.100 0.251 0.000 0.890 204 G HN 1.360 nan 8.290 nan 0.000 0.572 205 R N -2.578 118.103 120.500 0.303 0.000 2.766 205 R HA 0.715 5.047 4.340 -0.013 0.000 0.270 205 R C -1.543 174.883 176.300 0.210 0.000 1.035 205 R CA -0.887 55.345 56.100 0.219 0.000 0.911 205 R CB 1.298 31.675 30.300 0.129 0.000 1.243 205 R HN 0.929 nan 8.270 nan 0.000 0.460 206 V N 1.119 121.075 119.914 0.071 0.000 2.370 206 V HA 0.339 4.451 4.120 -0.013 0.000 0.283 206 V C -0.278 175.747 176.094 -0.116 0.000 1.023 206 V CA -0.553 61.715 62.300 -0.052 0.000 0.857 206 V CB 1.370 33.089 31.823 -0.173 0.000 0.985 206 V HN 0.666 nan 8.190 nan 0.000 0.443 207 E N 3.381 123.502 120.200 -0.131 0.000 2.156 207 E HA 0.388 4.731 4.350 -0.013 0.000 0.279 207 E C -0.932 175.544 176.600 -0.207 0.000 0.965 207 E CA -0.669 55.673 56.400 -0.096 0.000 0.789 207 E CB 0.980 30.669 29.700 -0.019 0.000 1.098 207 E HN 0.644 nan 8.360 nan 0.000 0.397 208 H N 2.513 121.597 119.070 0.023 0.000 2.724 208 H HA 0.174 4.722 4.556 -0.013 0.000 0.278 208 H C -0.341 174.996 175.328 0.015 0.000 1.159 208 H CA -0.221 55.836 56.048 0.015 0.000 1.254 208 H CB 0.695 30.461 29.762 0.007 0.000 1.412 208 H HN 0.420 nan 8.280 nan 0.000 0.488 209 T N 0.067 114.675 114.554 0.090 0.000 2.824 209 T HA 0.296 4.638 4.350 -0.013 0.000 0.282 209 T C 1.111 175.844 174.700 0.054 0.000 0.993 209 T CA -0.200 61.938 62.100 0.063 0.000 0.967 209 T CB 1.889 70.781 68.868 0.039 0.000 0.960 209 T HN 0.539 nan 8.240 nan 0.000 0.441 210 S N 2.851 118.579 115.700 0.047 0.000 2.746 210 S HA -0.377 4.085 4.470 -0.013 0.000 0.526 210 S C 0.924 175.546 174.600 0.038 0.000 0.959 210 S CA 1.906 60.127 58.200 0.036 0.000 3.281 210 S CB -1.417 61.800 63.200 0.029 0.000 2.286 210 S HN 0.854 nan 8.310 nan 0.000 0.525 211 Q N 2.940 122.761 119.800 0.035 0.000 2.819 211 Q HA 0.565 4.897 4.340 -0.013 0.000 0.392 211 Q C 0.227 176.250 176.000 0.038 0.000 1.088 211 Q CA 0.816 56.640 55.803 0.035 0.000 1.062 211 Q CB 0.459 29.213 28.738 0.028 0.000 1.369 211 Q HN 1.005 nan 8.270 nan 0.000 0.434 212 G N -0.429 108.403 108.800 0.053 0.000 2.406 212 G HA2 0.272 4.224 3.960 -0.013 0.000 0.680 212 G HA3 0.272 4.224 3.960 -0.013 0.000 0.680 212 G C -1.091 173.837 174.900 0.045 0.000 1.338 212 G CA -0.646 44.487 45.100 0.055 0.000 0.941 212 G HN 0.448 nan 8.290 nan 0.000 0.633 213 A N 0.430 123.264 122.820 0.023 0.000 2.304 213 A HA 0.829 5.141 4.320 -0.013 0.000 0.271 213 A C 0.384 177.920 177.584 -0.079 0.000 1.091 213 A CA 0.031 52.007 52.037 -0.102 0.000 0.812 213 A CB 0.827 19.727 19.000 -0.166 0.000 1.056 213 A HN 0.773 nan 8.150 nan 0.000 0.489 214 K N 0.556 120.896 120.400 -0.099 0.000 2.507 214 K HA 0.186 4.498 4.320 -0.013 0.000 0.251 214 K C -1.814 174.821 176.600 0.058 0.000 0.943 214 K CA -0.382 55.897 56.287 -0.014 0.000 0.794 214 K CB 1.876 34.371 32.500 -0.008 0.000 1.188 214 K HN 0.729 nan 8.250 nan 0.000 0.428 215 W N 5.094 126.310 121.300 -0.141 0.000 2.358 215 W HA 0.352 5.004 4.660 -0.013 0.000 0.307 215 W C -0.998 175.446 176.519 -0.125 0.000 1.203 215 W CA -0.591 56.672 57.345 -0.136 0.000 1.279 215 W CB 0.406 29.772 29.460 -0.157 0.000 1.264 215 W HN 0.196 nan 8.180 nan 0.000 0.474 216 V N 6.406 126.409 119.914 0.148 0.000 3.113 216 V HA 0.334 4.447 4.120 -0.013 0.000 0.316 216 V C -0.452 175.613 176.094 -0.048 0.000 1.125 216 V CA -0.600 61.690 62.300 -0.018 0.000 1.026 216 V CB 2.077 33.915 31.823 0.024 0.000 1.080 216 V HN 0.451 nan 8.190 nan 0.000 0.444 217 D N 1.369 121.729 120.400 -0.067 0.000 2.686 217 D HA -0.131 4.502 4.640 -0.013 0.000 0.235 217 D C 0.406 176.650 176.300 -0.093 0.000 1.160 217 D CA 1.383 55.344 54.000 -0.065 0.000 0.645 217 D CB -1.222 39.571 40.800 -0.011 0.000 1.039 217 D HN 0.851 nan 8.370 nan 0.000 0.423 218 T N -3.187 111.261 114.554 -0.177 0.000 2.902 218 T HA 0.406 4.748 4.350 -0.013 0.000 0.280 218 T C 0.226 174.888 174.700 -0.065 0.000 0.992 218 T CA -0.891 61.108 62.100 -0.167 0.000 1.015 218 T CB 2.585 71.169 68.868 -0.472 0.000 1.044 218 T HN 0.203 nan 8.240 nan 0.000 0.520 219 Q N 1.157 120.997 119.800 0.067 0.000 2.257 219 Q HA 0.512 4.844 4.340 -0.013 0.000 0.255 219 Q C -1.447 174.612 176.000 0.099 0.000 0.920 219 Q CA -0.823 55.028 55.803 0.080 0.000 0.927 219 Q CB 1.226 30.100 28.738 0.227 0.000 1.229 219 Q HN 0.625 nan 8.270 nan 0.000 0.433 220 V N 4.562 124.491 119.914 0.024 0.000 2.427 220 V HA 0.415 4.528 4.120 -0.013 0.000 0.286 220 V C -0.346 175.794 176.094 0.076 0.000 1.034 220 V CA -0.589 61.684 62.300 -0.044 0.000 0.893 220 V CB 1.639 33.396 31.823 -0.110 0.000 0.982 220 V HN 0.630 nan 8.190 nan 0.000 0.452 221 V N 6.081 126.074 119.914 0.132 0.000 2.604 221 V HA 0.514 4.627 4.120 -0.013 0.000 0.305 221 V C -0.201 175.998 176.094 0.175 0.000 1.043 221 V CA -0.646 61.772 62.300 0.196 0.000 0.888 221 V CB 1.989 34.007 31.823 0.326 0.000 0.995 221 V HN 0.629 nan 8.190 nan 0.000 0.429 222 L N 3.289 124.618 121.223 0.177 0.000 2.343 222 L HA 0.814 5.147 4.340 -0.013 0.000 0.275 222 L C 0.309 177.369 176.870 0.317 0.000 1.056 222 L CA -0.532 54.412 54.840 0.172 0.000 0.804 222 L CB 1.563 43.701 42.059 0.132 0.000 1.203 222 L HN 0.741 nan 8.230 nan 0.000 0.440 223 A N 4.406 127.366 122.820 0.233 0.000 2.267 223 A HA 0.611 4.924 4.320 -0.013 0.000 0.315 223 A C -0.535 177.313 177.584 0.441 0.000 1.297 223 A CA -0.471 51.747 52.037 0.302 0.000 0.865 223 A CB 1.013 19.765 19.000 -0.412 0.000 1.165 223 A HN 0.792 nan 8.150 nan 0.000 0.513 224 M N 6.064 125.988 119.600 0.540 0.000 2.129 224 M HA 0.502 4.975 4.480 -0.013 0.000 0.348 224 M C -2.628 173.966 176.300 0.491 0.000 1.116 224 M CA -2.011 53.552 55.300 0.438 0.000 1.022 224 M CB 1.950 34.730 32.600 0.299 0.000 1.599 224 M HN 0.344 nan 8.290 nan 0.000 0.449 225 P HA 0.261 nan 4.420 nan 0.000 0.282 225 P C -1.944 175.311 177.300 -0.076 0.000 1.249 225 P CA -0.024 63.036 63.100 -0.066 0.000 0.806 225 P CB 0.541 31.997 31.700 -0.406 0.000 0.984 226 Y N 0.431 120.676 120.300 -0.091 0.000 2.326 226 Y HA 0.289 4.832 4.550 -0.013 0.000 0.329 226 Y C -0.026 175.868 175.900 -0.010 0.000 0.973 226 Y CA -0.379 57.725 58.100 0.007 0.000 1.162 226 Y CB 1.325 39.819 38.460 0.055 0.000 1.147 226 Y HN 0.205 nan 8.280 nan 0.000 0.456 227 D N 2.195 122.710 120.400 0.192 0.000 2.198 227 D HA 0.385 5.017 4.640 -0.013 0.000 0.245 227 D C -0.491 176.040 176.300 0.386 0.000 1.079 227 D CA -0.140 54.015 54.000 0.258 0.000 0.854 227 D CB 1.691 42.684 40.800 0.322 0.000 1.148 227 D HN 0.348 nan 8.370 nan 0.000 0.456 228 T N 3.262 117.937 114.554 0.202 0.000 2.824 228 T HA 0.459 4.801 4.350 -0.013 0.000 0.282 228 T C -2.515 172.019 174.700 -0.277 0.000 0.993 228 T CA -1.494 60.623 62.100 0.029 0.000 0.967 228 T CB 2.028 70.912 68.868 0.027 0.000 0.960 228 T HN 0.173 nan 8.240 nan 0.000 0.441 229 P HA 0.302 nan 4.420 nan 0.000 0.275 229 P C -1.007 175.966 177.300 -0.545 0.000 1.227 229 P CA -0.377 62.062 63.100 -1.102 0.000 0.781 229 P CB 0.792 31.632 31.700 -1.433 0.000 0.906 230 V N 5.270 124.925 119.914 -0.431 0.000 2.340 230 V HA 0.262 4.374 4.120 -0.013 0.000 0.277 230 V C -2.085 173.880 176.094 -0.215 0.000 1.017 230 V CA -1.917 60.225 62.300 -0.264 0.000 0.820 230 V CB 1.380 33.096 31.823 -0.178 0.000 1.028 230 V HN 0.540 nan 8.190 nan 0.000 0.436 231 P HA 0.271 nan 4.420 nan 0.000 0.281 231 P C 0.396 177.646 177.300 -0.083 0.000 1.252 231 P CA 0.331 63.346 63.100 -0.142 0.000 0.778 231 P CB 1.686 33.298 31.700 -0.147 0.000 0.895 232 G N 2.362 111.130 108.800 -0.053 0.000 2.599 232 G HA2 0.125 4.078 3.960 -0.013 0.000 0.264 232 G HA3 0.125 4.078 3.960 -0.013 0.000 0.264 232 G C -1.172 173.738 174.900 0.016 0.000 1.200 232 G CA -0.575 44.522 45.100 -0.006 0.000 0.896 232 G HN 0.525 nan 8.290 nan 0.000 0.536 233 Y N 0.421 120.685 120.300 -0.061 0.000 2.584 233 Y HA 0.296 4.839 4.550 -0.013 0.000 0.351 233 Y C 1.207 177.071 175.900 -0.059 0.000 1.030 233 Y CA -0.291 57.769 58.100 -0.067 0.000 1.332 233 Y CB 0.135 38.554 38.460 -0.068 0.000 1.148 233 Y HN 0.701 nan 8.280 nan 0.000 0.528 234 R N 2.936 123.096 120.500 -0.567 0.000 3.610 234 R HA -0.314 4.019 4.340 -0.013 0.000 0.274 234 R C -0.091 176.059 176.300 -0.251 0.000 1.123 234 R CA 1.487 57.292 56.100 -0.492 0.000 0.747 234 R CB -1.881 27.948 30.300 -0.784 0.000 1.149 234 R HN 0.954 nan 8.270 nan 0.000 0.471 235 N N -1.570 117.039 118.700 -0.152 0.000 2.170 235 N HA 0.083 4.815 4.740 -0.013 0.000 0.222 235 N C -0.224 175.239 175.510 -0.078 0.000 1.218 235 N CA -0.367 52.629 53.050 -0.090 0.000 0.889 235 N CB 0.566 39.025 38.487 -0.047 0.000 1.083 235 N HN 0.085 nan 8.380 nan 0.000 0.520 236 N N -0.266 118.384 118.700 -0.084 0.000 2.800 236 N HA -0.131 4.602 4.740 -0.013 0.000 0.250 236 N C -1.055 174.416 175.510 -0.066 0.000 1.078 236 N CA 0.570 53.580 53.050 -0.067 0.000 0.804 236 N CB -1.293 37.157 38.487 -0.063 0.000 1.135 236 N HN 0.201 nan 8.380 nan 0.000 0.565 237 V N 1.140 121.018 119.914 -0.060 0.000 2.439 237 V HA 0.486 4.598 4.120 -0.013 0.000 0.282 237 V C 0.466 176.531 176.094 -0.049 0.000 1.039 237 V CA -0.543 61.727 62.300 -0.050 0.000 0.913 237 V CB 2.190 34.005 31.823 -0.013 0.000 0.983 237 V HN -0.042 nan 8.190 nan 0.000 0.460 238 V N 5.456 125.345 119.914 -0.040 0.000 2.419 238 V HA 0.441 4.554 4.120 -0.013 0.000 0.287 238 V C -0.087 175.995 176.094 -0.020 0.000 1.017 238 V CA -0.835 61.415 62.300 -0.083 0.000 0.844 238 V CB 1.465 33.226 31.823 -0.102 0.000 1.011 238 V HN 0.832 nan 8.190 nan 0.000 0.429 239 N N 1.966 120.630 118.700 -0.060 0.000 2.418 239 N HA 0.573 5.305 4.740 -0.013 0.000 0.283 239 N C -0.040 175.462 175.510 -0.014 0.000 1.267 239 N CA -0.273 52.769 53.050 -0.012 0.000 0.975 239 N CB 1.196 39.641 38.487 -0.071 0.000 1.167 239 N HN 0.588 nan 8.380 nan 0.000 0.581 240 T N 0.734 115.301 114.554 0.022 0.000 2.841 240 T HA 0.409 4.752 4.350 -0.013 0.000 0.283 240 T C -0.275 174.415 174.700 -0.016 0.000 1.000 240 T CA -0.510 61.667 62.100 0.130 0.000 0.977 240 T CB 1.056 70.133 68.868 0.347 0.000 0.979 240 T HN 0.317 nan 8.240 nan 0.000 0.446 241 M N 3.803 123.353 119.600 -0.084 0.000 2.066 241 M HA 0.493 4.965 4.480 -0.013 0.000 0.340 241 M C -0.464 175.691 176.300 -0.242 0.000 1.053 241 M CA -0.742 54.417 55.300 -0.235 0.000 0.983 241 M CB 0.631 33.043 32.600 -0.312 0.000 1.520 241 M HN 0.473 nan 8.290 nan 0.000 0.428 242 R N 4.730 124.969 120.500 -0.434 0.000 2.229 242 R HA 0.525 4.858 4.340 -0.013 0.000 0.332 242 R C -1.896 174.097 176.300 -0.511 0.000 0.989 242 R CA -0.577 55.208 56.100 -0.526 0.000 0.842 242 R CB 0.824 30.613 30.300 -0.852 0.000 1.119 242 R HN 0.637 nan 8.270 nan 0.000 0.456 243 L N 5.694 126.735 121.223 -0.305 0.000 2.296 243 L HA 0.454 4.786 4.340 -0.013 0.000 0.286 243 L C -0.986 175.850 176.870 -0.057 0.000 1.023 243 L CA -0.558 54.208 54.840 -0.123 0.000 0.812 243 L CB 1.093 43.169 42.059 0.027 0.000 1.223 243 L HN 0.626 nan 8.230 nan 0.000 0.421 244 W N 2.325 123.753 121.300 0.213 0.000 2.376 244 W HA 0.599 5.252 4.660 -0.012 0.000 0.322 244 W C 0.558 177.312 176.519 0.392 0.000 1.160 244 W CA -0.293 57.210 57.345 0.262 0.000 1.218 244 W CB 1.387 30.874 29.460 0.044 0.000 1.205 244 W HN 0.413 nan 8.180 nan 0.000 0.559 245 S N 1.494 117.630 115.700 0.725 0.000 2.500 245 S HA 0.760 5.222 4.470 -0.013 0.000 0.301 245 S C -0.479 174.464 174.600 0.572 0.000 1.092 245 S CA -0.714 57.802 58.200 0.526 0.000 1.030 245 S CB 0.688 64.156 63.200 0.448 0.000 1.031 245 S HN 0.515 nan 8.310 nan 0.000 0.483 246 A N 4.512 127.495 122.820 0.272 0.000 2.363 246 A HA 0.671 4.984 4.320 -0.013 0.000 0.270 246 A C -0.093 177.577 177.584 0.143 0.000 1.121 246 A CA -0.231 51.867 52.037 0.102 0.000 0.800 246 A CB 0.399 19.214 19.000 -0.309 0.000 1.052 246 A HN 0.643 nan 8.150 nan 0.000 0.493 247 K N 0.857 121.359 120.400 0.171 0.000 2.464 247 K HA 0.615 4.927 4.320 -0.013 0.000 0.253 247 K C -0.746 175.919 176.600 0.109 0.000 0.933 247 K CA -0.456 55.911 56.287 0.135 0.000 0.801 247 K CB 2.334 34.929 32.500 0.158 0.000 1.271 247 K HN 0.848 nan 8.250 nan 0.000 0.430 248 A N 3.966 126.834 122.820 0.080 0.000 2.327 248 A HA 0.522 4.835 4.320 -0.013 0.000 0.283 248 A C -2.207 175.422 177.584 0.076 0.000 1.127 248 A CA -1.198 50.882 52.037 0.073 0.000 0.810 248 A CB -0.072 18.960 19.000 0.054 0.000 1.066 248 A HN 0.339 nan 8.150 nan 0.000 0.492 249 P HA 0.094 nan 4.420 nan 0.000 0.274 249 P C 0.001 177.344 177.300 0.072 0.000 1.231 249 P CA -0.373 62.775 63.100 0.080 0.000 0.790 249 P CB 0.679 32.439 31.700 0.099 0.000 0.951 250 N N 1.083 119.817 118.700 0.055 0.000 2.412 250 N HA -0.084 4.648 4.740 -0.013 0.000 0.184 250 N C 0.527 176.060 175.510 0.037 0.000 1.101 250 N CA 0.349 53.425 53.050 0.044 0.000 0.881 250 N CB -0.360 38.148 38.487 0.035 0.000 0.969 250 N HN 0.407 nan 8.380 nan 0.000 0.459 251 D N 0.788 121.210 120.400 0.036 0.000 2.237 251 D HA -0.095 4.538 4.640 -0.013 0.000 0.267 251 D C 1.596 177.905 176.300 0.014 0.000 1.226 251 D CA 0.033 54.023 54.000 -0.017 0.000 0.947 251 D CB -1.054 39.707 40.800 -0.066 0.000 0.941 251 D HN 0.057 nan 8.370 nan 0.000 0.333 252 F N 0.782 120.751 119.950 0.031 0.000 2.141 252 F HA -0.208 4.311 4.527 -0.013 0.000 0.300 252 F C 1.553 177.378 175.800 0.040 0.000 1.079 252 F CA 1.304 59.329 58.000 0.041 0.000 1.264 252 F CB -0.468 38.556 39.000 0.040 0.000 1.011 252 F HN 0.045 nan 8.300 nan 0.000 0.487 253 N N 0.771 119.603 118.700 0.220 0.000 3.115 253 N HA 0.063 4.796 4.740 -0.013 0.000 0.305 253 N C 0.584 176.145 175.510 0.086 0.000 1.305 253 N CA 0.121 53.249 53.050 0.129 0.000 1.154 253 N CB 0.023 38.565 38.487 0.092 0.000 1.454 253 N HN 0.141 nan 8.380 nan 0.000 0.551 254 L N -0.606 120.679 121.223 0.104 0.000 1.433 254 L HA -0.113 4.219 4.340 -0.013 0.000 0.146 254 L C 1.316 178.245 176.870 0.098 0.000 1.334 254 L CA 0.861 55.748 54.840 0.079 0.000 1.267 254 L CB -0.955 41.140 42.059 0.060 0.000 2.547 254 L HN 0.280 nan 8.230 nan 0.000 0.476 255 K N 0.350 120.783 120.400 0.055 0.000 2.366 255 K HA -0.030 4.283 4.320 -0.013 0.000 0.198 255 K C 0.474 177.108 176.600 0.058 0.000 1.044 255 K CA 0.989 57.259 56.287 -0.029 0.000 0.973 255 K CB -0.029 32.336 32.500 -0.226 0.000 0.767 255 K HN 0.153 nan 8.250 nan 0.000 0.475 256 D N 2.043 122.590 120.400 0.245 0.000 2.398 256 D HA -0.012 4.621 4.640 -0.013 0.000 0.250 256 D C -0.256 176.261 176.300 0.362 0.000 1.287 256 D CA -0.218 54.030 54.000 0.413 0.000 0.992 256 D CB -0.058 41.025 40.800 0.472 0.000 1.071 256 D HN 0.199 nan 8.370 nan 0.000 0.514 257 F N 1.501 121.493 119.950 0.070 0.000 2.373 257 F HA 0.350 4.869 4.527 -0.013 0.000 0.302 257 F C 0.512 176.342 175.800 0.049 0.000 1.247 257 F CA -1.945 56.085 58.000 0.050 0.000 1.169 257 F CB -0.252 38.765 39.000 0.028 0.000 1.309 257 F HN 0.368 nan 8.300 nan 0.000 0.537 258 N N -0.498 118.082 118.700 -0.201 0.000 3.506 258 N HA 0.069 4.801 4.740 -0.013 0.000 0.257 258 N C -1.733 173.713 175.510 -0.106 0.000 1.059 258 N CA 0.469 53.341 53.050 -0.297 0.000 0.672 258 N CB -0.912 37.254 38.487 -0.536 0.000 1.178 258 N HN 0.833 nan 8.380 nan 0.000 0.593 259 V N -1.577 118.324 119.914 -0.021 0.000 3.576 259 V HA -0.025 4.087 4.120 -0.013 0.000 0.511 259 V C 1.310 177.412 176.094 0.013 0.000 0.682 259 V CA 1.562 63.864 62.300 0.004 0.000 2.064 259 V CB -0.894 30.921 31.823 -0.013 0.000 2.487 259 V HN 0.989 nan 8.190 nan 0.000 0.511 260 G N 1.072 109.888 108.800 0.028 0.000 3.758 260 G HA2 0.675 4.627 3.960 -0.013 0.000 0.206 260 G HA3 0.675 4.627 3.960 -0.013 0.000 0.206 260 G C 0.877 175.797 174.900 0.033 0.000 0.946 260 G CA 1.215 46.330 45.100 0.025 0.000 0.885 260 G HN 2.999 nan 8.290 nan 0.000 0.392 261 G N -1.038 107.796 108.800 0.057 0.000 3.014 261 G HA2 0.283 4.235 3.960 -0.013 0.000 0.683 261 G HA3 0.283 4.235 3.960 -0.013 0.000 0.683 261 G C -0.111 174.846 174.900 0.095 0.000 1.271 261 G CA 0.198 45.342 45.100 0.074 0.000 0.843 261 G HN 1.409 nan 8.290 nan 0.000 0.612 262 Y N 3.301 123.616 120.300 0.026 0.000 2.220 262 Y HA 0.042 4.584 4.550 -0.012 0.000 0.291 262 Y C 2.449 178.363 175.900 0.024 0.000 1.129 262 Y CA 2.062 60.178 58.100 0.027 0.000 1.161 262 Y CB 0.011 38.486 38.460 0.024 0.000 0.997 262 Y HN 0.484 nan 8.280 nan 0.000 0.522 263 I N 0.590 121.115 120.570 -0.076 0.000 2.142 263 I HA -0.294 3.869 4.170 -0.013 0.000 0.240 263 I C 2.398 178.418 176.117 -0.161 0.000 1.078 263 I CA 1.444 62.647 61.300 -0.161 0.000 1.343 263 I CB -1.437 36.570 38.000 0.012 0.000 1.046 263 I HN 0.337 nan 8.210 nan 0.000 0.405 264 Q N 0.648 120.405 119.800 -0.072 0.000 2.112 264 Q HA -0.173 4.160 4.340 -0.013 0.000 0.206 264 Q C 2.337 178.294 176.000 -0.071 0.000 0.987 264 Q CA 2.056 57.827 55.803 -0.052 0.000 0.858 264 Q CB -0.400 28.328 28.738 -0.017 0.000 0.905 264 Q HN 0.561 nan 8.270 nan 0.000 0.420 265 A N -0.328 122.437 122.820 -0.092 0.000 1.933 265 A HA -0.131 4.181 4.320 -0.013 0.000 0.218 265 A C 2.390 179.904 177.584 -0.116 0.000 1.175 265 A CA 1.634 53.625 52.037 -0.078 0.000 0.628 265 A CB -0.567 18.400 19.000 -0.055 0.000 0.814 265 A HN 0.238 nan 8.150 nan 0.000 0.444 266 V N 0.111 119.891 119.914 -0.223 0.000 2.379 266 V HA -0.192 3.920 4.120 -0.013 0.000 0.245 266 V C 2.481 178.512 176.094 -0.106 0.000 1.044 266 V CA 1.676 63.857 62.300 -0.198 0.000 1.036 266 V CB -0.644 30.983 31.823 -0.325 0.000 0.664 266 V HN 0.565 nan 8.190 nan 0.000 0.453 267 L N -0.246 120.920 121.223 -0.095 0.000 2.201 267 L HA -0.134 4.198 4.340 -0.013 0.000 0.212 267 L C 1.934 178.785 176.870 -0.031 0.000 1.105 267 L CA 1.190 56.000 54.840 -0.051 0.000 0.775 267 L CB -0.642 41.392 42.059 -0.042 0.000 0.913 267 L HN 0.335 nan 8.230 nan 0.000 0.440 268 D N -0.030 120.350 120.400 -0.033 0.000 2.363 268 D HA -0.061 4.571 4.640 -0.013 0.000 0.226 268 D C 2.137 178.432 176.300 -0.007 0.000 1.020 268 D CA 0.418 54.408 54.000 -0.017 0.000 0.892 268 D CB 0.052 40.844 40.800 -0.014 0.000 0.900 268 D HN 0.216 nan 8.370 nan 0.000 0.531 269 R N 0.457 120.952 120.500 -0.009 0.000 2.120 269 R HA 0.003 4.335 4.340 -0.013 0.000 0.234 269 R C 0.435 176.741 176.300 0.009 0.000 1.123 269 R CA 0.567 56.670 56.100 0.005 0.000 0.975 269 R CB -0.075 30.227 30.300 0.005 0.000 0.866 269 R HN 0.078 nan 8.270 nan 0.000 0.446 270 N N 1.114 119.817 118.700 0.006 0.000 3.103 270 N HA -0.002 4.731 4.740 -0.013 0.000 0.305 270 N C 0.053 175.567 175.510 0.007 0.000 1.232 270 N CA 0.493 53.551 53.050 0.013 0.000 1.190 270 N CB 1.027 39.525 38.487 0.017 0.000 1.461 270 N HN 0.113 nan 8.380 nan 0.000 0.538 271 L N -0.487 120.736 121.223 0.001 0.000 2.824 271 L HA 0.224 4.557 4.340 -0.013 0.000 0.284 271 L C 1.691 178.547 176.870 -0.024 0.000 1.031 271 L CA 0.474 55.310 54.840 -0.007 0.000 1.226 271 L CB -0.274 41.781 42.059 -0.006 0.000 2.283 271 L HN 0.225 nan 8.230 nan 0.000 0.569 272 A N -0.710 122.099 122.820 -0.018 0.000 2.030 272 A HA 0.059 4.372 4.320 -0.013 0.000 0.215 272 A C 1.718 179.267 177.584 -0.058 0.000 1.164 272 A CA 0.946 52.961 52.037 -0.036 0.000 0.697 272 A CB -0.155 18.852 19.000 0.011 0.000 0.827 272 A HN 0.417 nan 8.150 nan 0.000 0.457 273 E N 0.210 120.397 120.200 -0.023 0.000 2.481 273 E HA -0.027 4.315 4.350 -0.013 0.000 0.195 273 E C 0.791 177.381 176.600 -0.016 0.000 1.047 273 E CA -0.060 56.330 56.400 -0.016 0.000 0.867 273 E CB -0.033 29.681 29.700 0.024 0.000 0.858 273 E HN 0.399 nan 8.360 nan 0.000 0.513 274 N N 0.873 119.563 118.700 -0.017 0.000 2.459 274 N HA -0.033 4.700 4.740 -0.013 0.000 0.181 274 N C 1.524 177.033 175.510 -0.002 0.000 1.046 274 N CA 0.483 53.540 53.050 0.013 0.000 0.904 274 N CB 0.070 38.564 38.487 0.013 0.000 0.964 274 N HN 0.241 nan 8.380 nan 0.000 0.444 275 I N 0.228 120.741 120.570 -0.094 0.000 2.264 275 I HA -0.236 3.927 4.170 -0.013 0.000 0.248 275 I C 1.322 177.396 176.117 -0.073 0.000 1.111 275 I CA 1.202 62.411 61.300 -0.152 0.000 1.382 275 I CB -0.081 37.669 38.000 -0.416 0.000 1.060 275 I HN 0.123 nan 8.210 nan 0.000 0.418 276 S N -0.707 114.953 115.700 -0.066 0.000 2.601 276 S HA 0.193 4.655 4.470 -0.013 0.000 0.244 276 S C 1.437 176.157 174.600 0.201 0.000 1.001 276 S CA -0.617 57.620 58.200 0.062 0.000 0.984 276 S CB 0.221 63.437 63.200 0.027 0.000 0.842 276 S HN 0.236 nan 8.310 nan 0.000 0.474 277 R N 1.020 121.643 120.500 0.207 0.000 2.062 277 R HA 0.264 4.597 4.340 -0.013 0.000 0.229 277 R C 0.410 176.954 176.300 0.407 0.000 1.128 277 R CA 1.174 57.438 56.100 0.275 0.000 0.960 277 R CB -0.098 30.342 30.300 0.234 0.000 0.855 277 R HN 0.385 nan 8.270 nan 0.000 0.432 278 V N 0.524 120.636 119.914 0.331 0.000 2.888 278 V HA 0.379 4.492 4.120 -0.013 0.000 0.309 278 V C -1.442 174.613 176.094 -0.065 0.000 1.114 278 V CA -1.323 61.099 62.300 0.204 0.000 0.940 278 V CB 1.820 33.689 31.823 0.077 0.000 1.021 278 V HN 0.197 nan 8.190 nan 0.000 0.426 279 L N 6.173 127.122 121.223 -0.457 0.000 2.371 279 L HA 0.521 4.853 4.340 -0.013 0.000 0.272 279 L C -0.974 175.702 176.870 -0.322 0.000 1.124 279 L CA 0.315 54.650 54.840 -0.842 0.000 0.816 279 L CB 0.825 42.266 42.059 -1.030 0.000 1.129 279 L HN 0.691 nan 8.230 nan 0.000 0.448 280 Y N 5.847 126.054 120.300 -0.155 0.000 2.436 280 Y HA 0.248 4.790 4.550 -0.013 0.000 0.336 280 Y C -1.444 174.445 175.900 -0.020 0.000 1.049 280 Y CA -1.342 56.743 58.100 -0.025 0.000 1.294 280 Y CB 0.527 39.000 38.460 0.022 0.000 1.179 280 Y HN 0.555 nan 8.280 nan 0.000 0.520 281 P HA 0.003 nan 4.420 nan 0.000 0.258 281 P C -0.915 176.507 177.300 0.203 0.000 1.559 281 P CA 0.176 63.375 63.100 0.164 0.000 0.855 281 P CB 0.005 31.896 31.700 0.318 0.000 1.594 282 N N 1.236 120.063 118.700 0.213 0.000 2.426 282 N HA 0.179 4.911 4.740 -0.013 0.000 0.275 282 N C -0.695 174.954 175.510 0.231 0.000 1.019 282 N CA 0.045 53.240 53.050 0.241 0.000 0.941 282 N CB 1.149 39.817 38.487 0.302 0.000 1.123 282 N HN 0.080 nan 8.380 nan 0.000 0.486 283 D N 0.579 121.141 120.400 0.271 0.000 2.344 283 D HA 0.250 4.882 4.640 -0.013 0.000 0.239 283 D C -0.481 176.073 176.300 0.423 0.000 1.064 283 D CA -0.380 53.797 54.000 0.295 0.000 0.829 283 D CB 0.257 41.233 40.800 0.294 0.000 1.129 283 D HN 0.475 nan 8.370 nan 0.000 0.506 284 N N 2.663 121.564 118.700 0.336 0.000 2.725 284 N HA -0.249 4.484 4.740 -0.013 0.000 0.251 284 N C -1.493 174.280 175.510 0.438 0.000 1.031 284 N CA 0.356 53.597 53.050 0.318 0.000 0.720 284 N CB -0.660 37.969 38.487 0.236 0.000 0.930 284 N HN 0.304 nan 8.380 nan 0.000 0.543 285 F N 0.743 120.805 119.950 0.188 0.000 2.622 285 F HA 0.431 4.951 4.527 -0.013 0.000 0.318 285 F C -1.487 174.396 175.800 0.139 0.000 1.135 285 F CA -1.093 56.985 58.000 0.130 0.000 1.015 285 F CB 1.007 40.039 39.000 0.054 0.000 1.275 285 F HN -0.038 nan 8.300 nan 0.000 0.457 286 F N 5.725 125.264 119.950 -0.685 0.000 2.415 286 F HA 0.524 5.043 4.527 -0.013 0.000 0.348 286 F C -0.547 174.892 175.800 -0.602 0.000 1.119 286 F CA -0.146 57.542 58.000 -0.520 0.000 1.069 286 F CB 0.855 39.571 39.000 -0.473 0.000 1.124 286 F HN 0.496 nan 8.300 nan 0.000 0.472 287 E N 3.870 123.469 120.200 -1.001 0.000 2.155 287 E HA 0.251 4.593 4.350 -0.013 0.000 0.264 287 E C -0.196 175.635 176.600 -1.282 0.000 0.886 287 E CA -0.707 55.169 56.400 -0.872 0.000 0.752 287 E CB 1.618 31.150 29.700 -0.280 0.000 1.133 287 E HN 0.940 nan 8.360 nan 0.000 0.414 288 G N 4.616 112.637 108.800 -1.298 0.000 3.316 288 G HA2 0.025 3.977 3.960 -0.013 0.000 0.255 288 G HA3 0.025 3.977 3.960 -0.013 0.000 0.255 288 G C 0.104 174.948 174.900 -0.094 0.000 0.880 288 G CA -0.191 44.361 45.100 -0.912 0.000 1.956 288 G HN 0.133 nan 8.290 nan 0.000 0.634 289 K N 0.350 120.748 120.400 -0.003 0.000 2.110 289 K HA 0.208 4.521 4.320 -0.013 0.000 0.263 289 K C 0.954 177.694 176.600 0.233 0.000 0.975 289 K CA -0.751 55.611 56.287 0.125 0.000 0.895 289 K CB 2.200 34.758 32.500 0.097 0.000 1.060 289 K HN 0.403 nan 8.250 nan 0.000 0.448 290 E N 1.389 121.686 120.200 0.162 0.000 2.077 290 E HA -0.199 4.144 4.350 -0.013 0.000 0.193 290 E C 1.520 178.151 176.600 0.053 0.000 0.989 290 E CA 0.877 57.324 56.400 0.078 0.000 0.800 290 E CB 0.145 29.892 29.700 0.078 0.000 0.746 290 E HN 0.393 nan 8.360 nan 0.000 0.452 291 L N 1.476 122.776 121.223 0.128 0.000 2.042 291 L HA -0.199 4.134 4.340 -0.013 0.000 0.210 291 L C 2.396 179.389 176.870 0.204 0.000 1.076 291 L CA 1.678 56.618 54.840 0.168 0.000 0.749 291 L CB -0.595 41.632 42.059 0.280 0.000 0.893 291 L HN 0.042 nan 8.230 nan 0.000 0.432 292 R N -0.447 120.145 120.500 0.153 0.000 2.070 292 R HA -0.142 4.191 4.340 -0.013 0.000 0.233 292 R C 2.256 178.621 176.300 0.109 0.000 1.137 292 R CA 1.860 57.991 56.100 0.051 0.000 0.945 292 R CB -1.335 28.839 30.300 -0.209 0.000 0.845 292 R HN 0.435 nan 8.270 nan 0.000 0.430 293 L N 1.554 122.737 121.223 -0.067 0.000 2.079 293 L HA -0.157 4.175 4.340 -0.013 0.000 0.210 293 L C 1.981 178.795 176.870 -0.094 0.000 1.081 293 L CA 1.926 56.517 54.840 -0.414 0.000 0.752 293 L CB -0.420 41.076 42.059 -0.938 0.000 0.896 293 L HN 0.072 nan 8.230 nan 0.000 0.433 294 K N -1.064 119.330 120.400 -0.011 0.000 2.057 294 K HA -0.188 4.124 4.320 -0.013 0.000 0.207 294 K C 2.108 178.860 176.600 0.253 0.000 1.049 294 K CA 1.799 58.144 56.287 0.095 0.000 0.931 294 K CB -0.160 32.245 32.500 -0.159 0.000 0.714 294 K HN 0.508 nan 8.250 nan 0.000 0.440 295 Q N 0.449 120.375 119.800 0.210 0.000 2.084 295 Q HA -0.200 4.132 4.340 -0.013 0.000 0.202 295 Q C 1.934 178.133 176.000 0.331 0.000 0.978 295 Q CA 1.458 57.440 55.803 0.297 0.000 0.844 295 Q CB -0.020 28.921 28.738 0.338 0.000 0.898 295 Q HN 0.380 nan 8.270 nan 0.000 0.426 296 E N -0.255 120.097 120.200 0.253 0.000 2.077 296 E HA -0.206 4.137 4.350 -0.013 0.000 0.193 296 E C 1.690 178.405 176.600 0.193 0.000 0.989 296 E CA 0.994 57.525 56.400 0.218 0.000 0.800 296 E CB -0.089 29.718 29.700 0.177 0.000 0.746 296 E HN 0.323 nan 8.360 nan 0.000 0.452 297 Y N 0.141 120.494 120.300 0.089 0.000 2.286 297 Y HA -0.170 4.372 4.550 -0.012 0.000 0.293 297 Y C 1.892 177.836 175.900 0.074 0.000 1.124 297 Y CA 0.870 58.978 58.100 0.014 0.000 1.178 297 Y CB -0.313 38.119 38.460 -0.048 0.000 1.010 297 Y HN 0.017 nan 8.280 nan 0.000 0.536 298 F N -0.263 119.681 119.950 -0.009 0.000 2.065 298 F HA -0.246 4.273 4.527 -0.013 0.000 0.298 298 F C 2.464 178.118 175.800 -0.243 0.000 1.112 298 F CA 2.079 60.030 58.000 -0.082 0.000 1.212 298 F CB -1.080 38.015 39.000 0.158 0.000 0.975 298 F HN -0.078 nan 8.300 nan 0.000 0.476 299 V N -0.429 119.430 119.914 -0.093 0.000 2.515 299 V HA -0.197 3.916 4.120 -0.013 0.000 0.250 299 V C 2.155 178.104 176.094 -0.242 0.000 1.058 299 V CA 1.851 64.066 62.300 -0.142 0.000 1.064 299 V CB -0.346 31.604 31.823 0.211 0.000 0.675 299 V HN 0.282 nan 8.190 nan 0.000 0.461 300 V N 0.311 120.082 119.914 -0.238 0.000 2.283 300 V HA -0.145 3.968 4.120 -0.013 0.000 0.243 300 V C 2.790 178.629 176.094 -0.425 0.000 1.039 300 V CA 2.032 64.180 62.300 -0.254 0.000 1.016 300 V CB -1.042 30.686 31.823 -0.159 0.000 0.650 300 V HN 0.628 nan 8.190 nan 0.000 0.449 301 A N -0.054 122.343 122.820 -0.704 0.000 1.877 301 A HA -0.136 4.177 4.320 -0.013 0.000 0.216 301 A C 2.403 179.625 177.584 -0.603 0.000 1.186 301 A CA 2.240 53.858 52.037 -0.698 0.000 0.620 301 A CB -0.854 17.512 19.000 -1.057 0.000 0.822 301 A HN 0.566 nan 8.150 nan 0.000 0.443 302 A N -1.104 121.199 122.820 -0.862 0.000 1.873 302 A HA -0.070 4.243 4.320 -0.013 0.000 0.215 302 A C 2.319 179.441 177.584 -0.770 0.000 1.186 302 A CA 2.295 53.651 52.037 -1.134 0.000 0.616 302 A CB -1.339 16.320 19.000 -2.234 0.000 0.823 302 A HN 0.429 nan 8.150 nan 0.000 0.442 303 T N 0.476 114.705 114.554 -0.541 0.000 2.684 303 T HA -0.122 4.220 4.350 -0.013 0.000 0.267 303 T C 1.820 176.262 174.700 -0.430 0.000 1.036 303 T CA 1.511 63.416 62.100 -0.325 0.000 1.148 303 T CB -0.402 68.253 68.868 -0.355 0.000 0.863 303 T HN 0.335 nan 8.240 nan 0.000 0.436 304 L N 0.644 121.654 121.223 -0.355 0.000 2.083 304 L HA -0.164 4.169 4.340 -0.013 0.000 0.209 304 L C 2.920 179.671 176.870 -0.197 0.000 1.083 304 L CA 1.386 56.063 54.840 -0.272 0.000 0.752 304 L CB -0.466 41.473 42.059 -0.201 0.000 0.899 304 L HN 0.360 nan 8.230 nan 0.000 0.433 305 Q N -0.684 119.005 119.800 -0.185 0.000 2.084 305 Q HA -0.242 4.091 4.340 -0.013 0.000 0.202 305 Q C 1.741 177.707 176.000 -0.056 0.000 0.978 305 Q CA 1.647 57.389 55.803 -0.100 0.000 0.844 305 Q CB -0.095 28.577 28.738 -0.111 0.000 0.898 305 Q HN 0.403 nan 8.270 nan 0.000 0.426 306 D N 0.514 120.875 120.400 -0.066 0.000 2.144 306 D HA -0.090 4.542 4.640 -0.013 0.000 0.200 306 D C 1.650 177.886 176.300 -0.106 0.000 0.978 306 D CA 0.818 54.816 54.000 -0.003 0.000 0.833 306 D CB 0.014 40.908 40.800 0.156 0.000 0.961 306 D HN 0.159 nan 8.370 nan 0.000 0.470 307 I N 0.010 120.412 120.570 -0.280 0.000 2.202 307 I HA -0.220 3.943 4.170 -0.013 0.000 0.242 307 I C 2.249 178.369 176.117 0.005 0.000 1.091 307 I CA 0.720 61.804 61.300 -0.361 0.000 1.368 307 I CB -0.081 37.553 38.000 -0.611 0.000 1.058 307 I HN 0.019 nan 8.210 nan 0.000 0.410 308 I N 0.301 120.925 120.570 0.089 0.000 2.315 308 I HA -0.283 3.879 4.170 -0.013 0.000 0.248 308 I C 2.758 179.015 176.117 0.233 0.000 1.117 308 I CA 1.068 62.532 61.300 0.272 0.000 1.404 308 I CB -0.348 37.769 38.000 0.194 0.000 1.071 308 I HN 0.193 nan 8.210 nan 0.000 0.419 309 R N 1.117 121.688 120.500 0.118 0.000 2.073 309 R HA -0.207 4.125 4.340 -0.013 0.000 0.234 309 R C 2.448 178.804 176.300 0.094 0.000 1.134 309 R CA 1.615 57.770 56.100 0.091 0.000 0.952 309 R CB -0.243 30.090 30.300 0.056 0.000 0.850 309 R HN 0.207 nan 8.270 nan 0.000 0.433 310 R N -0.641 119.917 120.500 0.097 0.000 2.096 310 R HA -0.166 4.167 4.340 -0.013 0.000 0.235 310 R C 2.170 178.558 176.300 0.147 0.000 1.127 310 R CA 1.797 57.965 56.100 0.115 0.000 0.968 310 R CB -0.363 30.006 30.300 0.114 0.000 0.861 310 R HN 0.271 nan 8.270 nan 0.000 0.440 311 F N 1.614 121.582 119.950 0.029 0.000 2.186 311 F HA -0.116 4.404 4.527 -0.013 0.000 0.299 311 F C 1.668 177.413 175.800 -0.092 0.000 1.090 311 F CA 1.453 59.427 58.000 -0.042 0.000 1.307 311 F CB 0.016 39.029 39.000 0.023 0.000 1.019 311 F HN -0.165 nan 8.300 nan 0.000 0.489 312 K N -0.129 120.177 120.400 -0.157 0.000 2.280 312 K HA -0.091 4.222 4.320 -0.013 0.000 0.202 312 K C 2.113 178.614 176.600 -0.165 0.000 1.047 312 K CA 1.282 57.422 56.287 -0.246 0.000 0.942 312 K CB -0.178 32.306 32.500 -0.027 0.000 0.739 312 K HN 0.271 nan 8.250 nan 0.000 0.457 313 S N 0.218 115.881 115.700 -0.061 0.000 2.303 313 S HA -0.040 4.422 4.470 -0.013 0.000 0.207 313 S C 1.309 175.922 174.600 0.021 0.000 1.025 313 S CA 0.274 58.492 58.200 0.029 0.000 0.953 313 S CB -0.085 63.191 63.200 0.126 0.000 0.932 313 S HN 0.254 nan 8.310 nan 0.000 0.472 314 S N 0.776 116.500 115.700 0.041 0.000 4.134 314 S HA -0.300 4.162 4.470 -0.013 0.000 0.538 314 S C 1.013 175.623 174.600 0.017 0.000 1.224 314 S CA 2.166 60.400 58.200 0.056 0.000 3.613 314 S CB -0.671 62.586 63.200 0.094 0.000 2.065 314 S HN 0.486 nan 8.310 nan 0.000 0.493 315 K N -0.568 119.887 120.400 0.092 0.000 2.483 315 K HA 0.469 4.782 4.320 -0.013 0.000 0.206 315 K C 1.040 177.531 176.600 -0.180 0.000 1.086 315 K CA 0.031 56.264 56.287 -0.091 0.000 1.052 315 K CB 0.211 32.608 32.500 -0.172 0.000 0.904 315 K HN 0.410 nan 8.250 nan 0.000 0.557 316 F N -1.002 118.815 119.950 -0.221 0.000 2.446 316 F HA 0.186 4.705 4.527 -0.013 0.000 0.292 316 F C 1.781 177.464 175.800 -0.194 0.000 1.096 316 F CA 0.061 57.916 58.000 -0.242 0.000 1.438 316 F CB 0.419 39.159 39.000 -0.433 0.000 1.107 316 F HN 0.031 nan 8.300 nan 0.000 0.546 317 G N -1.384 107.432 108.800 0.026 0.000 3.530 317 G HA2 0.212 4.165 3.960 -0.013 0.000 0.269 317 G HA3 0.212 4.165 3.960 -0.013 0.000 0.269 317 G C 0.165 175.066 174.900 0.002 0.000 1.314 317 G CA 0.253 45.353 45.100 -0.001 0.000 1.441 317 G HN 0.426 nan 8.290 nan 0.000 0.595 318 C N -1.408 117.878 119.300 -0.023 0.000 3.692 318 C HA 0.353 4.806 4.460 -0.013 0.000 0.448 318 C C 1.283 176.241 174.990 -0.054 0.000 1.278 318 C CA 0.785 59.782 59.018 -0.035 0.000 2.229 318 C CB 0.485 28.193 27.740 -0.055 0.000 2.815 318 C HN 0.591 nan 8.230 nan 0.000 0.440 319 R N 0.982 121.426 120.500 -0.094 0.000 3.342 319 R HA 0.370 4.703 4.340 -0.013 0.000 0.093 319 R C -0.315 175.884 176.300 -0.169 0.000 0.672 319 R CA 0.987 57.024 56.100 -0.104 0.000 0.495 319 R CB -1.022 29.221 30.300 -0.095 0.000 0.508 319 R HN 0.277 nan 8.270 nan 0.000 0.335 320 D N -0.269 119.996 120.400 -0.226 0.000 3.455 320 D HA -0.137 4.495 4.640 -0.013 0.000 0.216 320 D C -1.600 174.599 176.300 -0.170 0.000 1.510 320 D CA 1.487 55.300 54.000 -0.313 0.000 1.128 320 D CB -1.263 39.132 40.800 -0.676 0.000 0.680 320 D HN 0.405 nan 8.370 nan 0.000 0.828 321 P HA 0.036 nan 4.420 nan 0.000 0.222 321 P C 0.398 177.685 177.300 -0.021 0.000 1.147 321 P CA 0.945 64.018 63.100 -0.044 0.000 0.790 321 P CB 0.247 31.950 31.700 0.005 0.000 0.780 322 V N -0.583 119.318 119.914 -0.020 0.000 3.559 322 V HA -0.203 3.909 4.120 -0.013 0.000 0.476 322 V C -0.303 175.806 176.094 0.026 0.000 0.682 322 V CA 1.128 63.427 62.300 -0.001 0.000 1.988 322 V CB -1.269 30.546 31.823 -0.012 0.000 2.423 322 V HN 0.572 nan 8.190 nan 0.000 0.500 323 R N 2.859 123.386 120.500 0.044 0.000 7.363 323 R HA 0.038 4.371 4.340 -0.013 0.000 0.261 323 R C -0.028 176.317 176.300 0.076 0.000 0.794 323 R CA 0.484 56.620 56.100 0.059 0.000 1.826 323 R CB -0.151 30.187 30.300 0.063 0.000 1.258 323 R HN 0.778 nan 8.270 nan 0.000 0.877 324 T N 2.920 117.513 114.554 0.065 0.000 3.057 324 T HA -0.017 4.326 4.350 -0.013 0.000 0.232 324 T C 0.218 174.960 174.700 0.071 0.000 1.018 324 T CA 0.315 62.427 62.100 0.020 0.000 1.506 324 T CB -0.777 68.126 68.868 0.058 0.000 1.063 324 T HN 0.351 nan 8.240 nan 0.000 0.613 325 N N 1.371 120.125 118.700 0.090 0.000 2.420 325 N HA 0.291 5.024 4.740 -0.013 0.000 0.249 325 N C 0.149 175.739 175.510 0.134 0.000 1.033 325 N CA -0.513 52.634 53.050 0.162 0.000 0.944 325 N CB 0.434 39.029 38.487 0.181 0.000 1.113 325 N HN 0.395 nan 8.380 nan 0.000 0.502 326 F N 0.661 120.695 119.950 0.140 0.000 2.816 326 F HA 0.027 4.547 4.527 -0.013 0.000 0.302 326 F C 1.527 177.362 175.800 0.059 0.000 1.178 326 F CA 0.196 58.236 58.000 0.067 0.000 1.421 326 F CB 0.177 39.099 39.000 -0.131 0.000 1.114 326 F HN 0.563 nan 8.300 nan 0.000 0.573 327 D N 0.184 120.716 120.400 0.220 0.000 2.219 327 D HA -0.112 4.520 4.640 -0.013 0.000 0.205 327 D C 2.093 178.491 176.300 0.164 0.000 0.970 327 D CA 1.116 55.216 54.000 0.167 0.000 0.851 327 D CB 0.150 41.040 40.800 0.149 0.000 0.943 327 D HN 0.332 nan 8.370 nan 0.000 0.488 328 A N -0.179 122.772 122.820 0.218 0.000 2.308 328 A HA 0.087 4.399 4.320 -0.013 0.000 0.217 328 A C 1.577 179.201 177.584 0.067 0.000 1.216 328 A CA -0.397 51.778 52.037 0.230 0.000 0.864 328 A CB -0.553 18.747 19.000 0.500 0.000 0.902 328 A HN 0.122 nan 8.150 nan 0.000 0.499 329 F N 1.980 121.749 119.950 -0.302 0.000 2.065 329 F HA -0.141 4.379 4.527 -0.012 0.000 0.298 329 F C -0.768 174.835 175.800 -0.328 0.000 1.112 329 F CA 2.523 60.101 58.000 -0.705 0.000 1.212 329 F CB -0.485 38.182 39.000 -0.554 0.000 0.975 329 F HN 0.204 nan 8.300 nan 0.000 0.476 330 P HA -0.104 nan 4.420 nan 0.000 0.222 330 P C 0.636 177.870 177.300 -0.111 0.000 1.147 330 P CA 1.493 64.525 63.100 -0.113 0.000 0.790 330 P CB -0.066 31.613 31.700 -0.036 0.000 0.780 331 D N -1.113 119.251 120.400 -0.059 0.000 2.347 331 D HA -0.019 4.613 4.640 -0.013 0.000 0.213 331 D C 1.551 177.845 176.300 -0.010 0.000 0.985 331 D CA 0.839 54.837 54.000 -0.002 0.000 0.879 331 D CB 0.092 40.936 40.800 0.073 0.000 0.919 331 D HN 0.116 nan 8.370 nan 0.000 0.526 332 K N -0.183 120.163 120.400 -0.090 0.000 2.425 332 K HA 0.216 4.528 4.320 -0.013 0.000 0.201 332 K C 0.018 176.499 176.600 -0.198 0.000 1.128 332 K CA 0.115 56.360 56.287 -0.069 0.000 1.000 332 K CB 2.168 34.713 32.500 0.075 0.000 0.961 332 K HN -0.058 nan 8.250 nan 0.000 0.555 333 V N 0.849 120.533 119.914 -0.384 0.000 2.789 333 V HA 0.712 4.824 4.120 -0.013 0.000 0.311 333 V C -1.130 174.831 176.094 -0.222 0.000 1.073 333 V CA -1.246 60.826 62.300 -0.380 0.000 0.921 333 V CB 1.909 33.190 31.823 -0.903 0.000 1.009 333 V HN 0.115 nan 8.190 nan 0.000 0.426 334 A N 4.866 127.625 122.820 -0.102 0.000 2.402 334 A HA 0.884 5.197 4.320 -0.013 0.000 0.291 334 A C -1.109 176.476 177.584 0.002 0.000 1.051 334 A CA -0.418 51.595 52.037 -0.039 0.000 0.716 334 A CB 1.263 20.204 19.000 -0.098 0.000 1.223 334 A HN 1.269 nan 8.150 nan 0.000 0.425 335 I N 0.638 121.259 120.570 0.086 0.000 2.389 335 I HA 0.725 4.888 4.170 -0.013 0.000 0.288 335 I C -0.621 175.580 176.117 0.140 0.000 0.999 335 I CA -0.442 60.927 61.300 0.115 0.000 1.129 335 I CB 1.873 39.922 38.000 0.082 0.000 1.288 335 I HN 0.536 nan 8.210 nan 0.000 0.444 336 Q N 5.891 125.779 119.800 0.146 0.000 2.290 336 Q HA 0.523 4.855 4.340 -0.013 0.000 0.259 336 Q C -1.645 174.370 176.000 0.025 0.000 0.941 336 Q CA -0.445 55.484 55.803 0.210 0.000 0.912 336 Q CB 1.470 30.463 28.738 0.424 0.000 1.244 336 Q HN 0.767 nan 8.270 nan 0.000 0.441 337 L N 4.346 125.621 121.223 0.086 0.000 2.261 337 L HA 0.320 4.653 4.340 -0.013 0.000 0.289 337 L C -0.229 176.682 176.870 0.069 0.000 1.059 337 L CA -0.167 54.708 54.840 0.059 0.000 0.816 337 L CB 0.540 42.675 42.059 0.126 0.000 1.191 337 L HN 0.619 nan 8.230 nan 0.000 0.431 338 N N 4.006 122.656 118.700 -0.083 0.000 2.549 338 N HA 0.115 4.848 4.740 -0.013 0.000 0.267 338 N C -0.062 175.470 175.510 0.037 0.000 1.182 338 N CA 0.531 53.583 53.050 0.002 0.000 1.019 338 N CB -0.247 38.147 38.487 -0.156 0.000 1.380 338 N HN 0.568 nan 8.380 nan 0.000 0.505 339 D N -0.516 120.021 120.400 0.228 0.000 3.905 339 D HA -0.222 4.411 4.640 -0.013 0.000 0.274 339 D C 0.417 176.805 176.300 0.146 0.000 2.034 339 D CA 1.592 55.714 54.000 0.203 0.000 1.180 339 D CB -0.691 39.946 40.800 -0.272 0.000 0.918 339 D HN 0.450 nan 8.370 nan 0.000 1.125 340 T N -2.516 112.029 114.554 -0.014 0.000 3.107 340 T HA 0.146 4.489 4.350 -0.013 0.000 0.249 340 T C 1.647 176.390 174.700 0.072 0.000 1.096 340 T CA 1.450 63.520 62.100 -0.051 0.000 1.012 340 T CB -0.513 68.299 68.868 -0.093 0.000 0.977 340 T HN 0.508 nan 8.240 nan 0.000 0.527 341 H N 2.619 121.763 119.070 0.122 0.000 2.353 341 H HA -0.007 4.541 4.556 -0.013 0.000 0.298 341 H C -0.916 174.493 175.328 0.134 0.000 1.103 341 H CA 1.097 57.237 56.048 0.153 0.000 1.293 341 H CB -0.800 29.053 29.762 0.153 0.000 1.372 341 H HN 0.443 nan 8.280 nan 0.000 0.501 342 P HA 0.079 nan 4.420 nan 0.000 0.254 342 P C 0.735 178.073 177.300 0.062 0.000 1.620 342 P CA 0.314 63.489 63.100 0.124 0.000 1.050 342 P CB 0.350 32.113 31.700 0.104 0.000 1.539 343 S N -0.365 115.363 115.700 0.048 0.000 2.442 343 S HA -0.107 4.356 4.470 -0.013 0.000 0.236 343 S C 1.673 176.273 174.600 -0.000 0.000 1.007 343 S CA 0.738 58.926 58.200 -0.020 0.000 0.965 343 S CB -1.384 61.777 63.200 -0.064 0.000 0.773 343 S HN 0.151 nan 8.310 nan 0.000 0.504 344 L N 0.849 122.093 121.223 0.034 0.000 2.549 344 L HA 0.090 4.422 4.340 -0.013 0.000 0.229 344 L C 2.909 179.825 176.870 0.076 0.000 1.158 344 L CA 0.587 55.459 54.840 0.054 0.000 0.842 344 L CB -0.681 41.420 42.059 0.070 0.000 0.952 344 L HN 0.475 nan 8.230 nan 0.000 0.452 345 A N 0.551 123.389 122.820 0.031 0.000 1.978 345 A HA -0.192 4.121 4.320 -0.013 0.000 0.220 345 A C 2.170 179.751 177.584 -0.004 0.000 1.170 345 A CA 1.439 53.477 52.037 0.001 0.000 0.636 345 A CB -0.434 18.555 19.000 -0.019 0.000 0.810 345 A HN 0.351 nan 8.150 nan 0.000 0.448 346 I N 0.341 120.908 120.570 -0.004 0.000 2.090 346 I HA -0.153 4.009 4.170 -0.013 0.000 0.236 346 I C -0.355 175.772 176.117 0.016 0.000 1.064 346 I CA 1.669 62.962 61.300 -0.012 0.000 1.324 346 I CB -0.953 37.045 38.000 -0.004 0.000 1.044 346 I HN 0.240 nan 8.210 nan 0.000 0.399 347 P HA -0.175 nan 4.420 nan 0.000 0.223 347 P C 1.236 178.517 177.300 -0.032 0.000 1.151 347 P CA 1.489 64.605 63.100 0.027 0.000 0.787 347 P CB 0.016 31.754 31.700 0.063 0.000 0.788 348 E N 0.199 120.452 120.200 0.088 0.000 2.107 348 E HA -0.135 4.208 4.350 -0.013 0.000 0.191 348 E C 1.878 178.443 176.600 -0.059 0.000 0.982 348 E CA 0.574 57.037 56.400 0.105 0.000 0.809 348 E CB -1.158 28.686 29.700 0.239 0.000 0.756 348 E HN -0.015 nan 8.360 nan 0.000 0.459 349 L N 0.012 121.180 121.223 -0.091 0.000 2.141 349 L HA -0.039 4.294 4.340 -0.013 0.000 0.209 349 L C 1.948 178.668 176.870 -0.250 0.000 1.094 349 L CA 1.626 56.360 54.840 -0.177 0.000 0.763 349 L CB -0.509 41.455 42.059 -0.158 0.000 0.908 349 L HN 0.246 nan 8.230 nan 0.000 0.437 350 M N -0.878 118.588 119.600 -0.224 0.000 2.123 350 M HA -0.153 4.320 4.480 -0.013 0.000 0.263 350 M C 2.393 178.509 176.300 -0.308 0.000 1.069 350 M CA 1.392 56.505 55.300 -0.312 0.000 1.133 350 M CB -1.087 31.319 32.600 -0.323 0.000 1.356 350 M HN 0.301 nan 8.290 nan 0.000 0.415 351 R N 0.016 120.356 120.500 -0.267 0.000 2.096 351 R HA -0.150 4.182 4.340 -0.013 0.000 0.240 351 R C 2.057 178.236 176.300 -0.201 0.000 1.139 351 R CA 1.819 57.765 56.100 -0.256 0.000 0.952 351 R CB -0.268 29.819 30.300 -0.356 0.000 0.854 351 R HN 0.190 nan 8.270 nan 0.000 0.436 352 V N 1.378 121.174 119.914 -0.197 0.000 2.261 352 V HA -0.258 3.855 4.120 -0.013 0.000 0.246 352 V C 2.440 178.366 176.094 -0.280 0.000 1.047 352 V CA 1.812 63.994 62.300 -0.196 0.000 1.015 352 V CB -0.410 31.296 31.823 -0.195 0.000 0.642 352 V HN 0.353 nan 8.190 nan 0.000 0.446 353 L N -0.692 120.298 121.223 -0.387 0.000 2.046 353 L HA -0.159 4.173 4.340 -0.013 0.000 0.208 353 L C 2.410 179.086 176.870 -0.323 0.000 1.077 353 L CA 1.264 55.811 54.840 -0.489 0.000 0.747 353 L CB -0.603 41.125 42.059 -0.552 0.000 0.896 353 L HN 0.208 nan 8.230 nan 0.000 0.432 354 V N -0.567 119.193 119.914 -0.255 0.000 2.300 354 V HA -0.195 3.918 4.120 -0.013 0.000 0.241 354 V C 2.041 178.081 176.094 -0.089 0.000 1.034 354 V CA 1.693 63.904 62.300 -0.149 0.000 1.021 354 V CB -0.316 31.433 31.823 -0.123 0.000 0.662 354 V HN 0.356 nan 8.190 nan 0.000 0.458 355 D N 0.053 120.396 120.400 -0.096 0.000 2.097 355 D HA -0.058 4.574 4.640 -0.013 0.000 0.197 355 D C 2.079 178.346 176.300 -0.055 0.000 0.984 355 D CA 1.330 55.294 54.000 -0.060 0.000 0.826 355 D CB -0.067 40.693 40.800 -0.066 0.000 0.973 355 D HN 0.313 nan 8.370 nan 0.000 0.460 356 L N 0.347 121.523 121.223 -0.079 0.000 2.200 356 L HA 0.070 4.403 4.340 -0.013 0.000 0.200 356 L C 2.019 178.853 176.870 -0.061 0.000 1.072 356 L CA 0.615 55.420 54.840 -0.059 0.000 0.787 356 L CB -0.235 41.790 42.059 -0.057 0.000 0.957 356 L HN -0.143 nan 8.230 nan 0.000 0.459 357 E N 0.732 120.860 120.200 -0.120 0.000 2.371 357 E HA -0.013 4.330 4.350 -0.013 0.000 0.194 357 E C 0.110 176.670 176.600 -0.067 0.000 1.012 357 E CA 0.025 56.362 56.400 -0.105 0.000 0.860 357 E CB 0.172 29.702 29.700 -0.283 0.000 0.811 357 E HN 0.278 nan 8.360 nan 0.000 0.502 358 R N -0.058 120.396 120.500 -0.077 0.000 3.418 358 R HA -0.182 4.151 4.340 -0.013 0.000 0.274 358 R C -0.542 175.740 176.300 -0.030 0.000 1.108 358 R CA 0.213 56.291 56.100 -0.035 0.000 0.741 358 R CB -2.513 27.786 30.300 -0.001 0.000 1.223 358 R HN 0.047 nan 8.270 nan 0.000 0.434 359 L N 1.772 122.949 121.223 -0.077 0.000 2.421 359 L HA 0.204 4.536 4.340 -0.013 0.000 0.263 359 L C 1.270 178.131 176.870 -0.015 0.000 1.122 359 L CA 0.050 54.857 54.840 -0.055 0.000 0.804 359 L CB 0.537 42.516 42.059 -0.133 0.000 1.150 359 L HN 0.139 nan 8.230 nan 0.000 0.457 360 D N 0.496 120.913 120.400 0.029 0.000 2.357 360 D HA -0.130 4.502 4.640 -0.013 0.000 0.242 360 D C 0.957 177.324 176.300 0.110 0.000 1.153 360 D CA -0.499 53.552 54.000 0.086 0.000 0.918 360 D CB 0.714 41.571 40.800 0.095 0.000 1.181 360 D HN 0.591 nan 8.370 nan 0.000 0.435 361 W N 1.937 123.241 121.300 0.007 0.000 2.298 361 W HA -0.254 4.398 4.660 -0.012 0.000 0.328 361 W C 1.260 177.825 176.519 0.076 0.000 1.259 361 W CA 2.044 59.400 57.345 0.019 0.000 1.251 361 W CB -0.345 29.107 29.460 -0.013 0.000 1.161 361 W HN 0.494 nan 8.180 nan 0.000 0.466 362 D N 0.088 120.694 120.400 0.344 0.000 2.133 362 D HA -0.215 4.417 4.640 -0.013 0.000 0.195 362 D C 2.036 178.437 176.300 0.168 0.000 0.997 362 D CA 1.468 55.637 54.000 0.281 0.000 0.840 362 D CB -0.449 40.491 40.800 0.233 0.000 0.947 362 D HN 0.106 nan 8.370 nan 0.000 0.452 363 K N 0.925 121.383 120.400 0.096 0.000 2.097 363 K HA -0.003 4.309 4.320 -0.013 0.000 0.205 363 K C 1.958 178.549 176.600 -0.016 0.000 1.050 363 K CA 0.806 57.123 56.287 0.049 0.000 0.938 363 K CB -0.184 32.341 32.500 0.042 0.000 0.718 363 K HN 0.029 nan 8.250 nan 0.000 0.442 364 A N 0.795 123.565 122.820 -0.084 0.000 1.873 364 A HA -0.183 4.130 4.320 -0.013 0.000 0.215 364 A C 2.136 179.622 177.584 -0.163 0.000 1.186 364 A CA 1.232 53.148 52.037 -0.202 0.000 0.616 364 A CB -1.068 17.736 19.000 -0.326 0.000 0.823 364 A HN 0.630 nan 8.150 nan 0.000 0.442 365 W N 0.756 121.850 121.300 -0.343 0.000 2.358 365 W HA -0.183 4.470 4.660 -0.012 0.000 0.303 365 W C 2.010 178.472 176.519 -0.095 0.000 1.208 365 W CA 1.916 59.114 57.345 -0.244 0.000 1.274 365 W CB -0.109 29.261 29.460 -0.150 0.000 1.138 365 W HN 0.611 nan 8.180 nan 0.000 0.515 366 E N 0.086 120.277 120.200 -0.015 0.000 2.058 366 E HA -0.228 4.114 4.350 -0.013 0.000 0.194 366 E C 2.037 178.554 176.600 -0.138 0.000 0.997 366 E CA 1.951 58.306 56.400 -0.076 0.000 0.801 366 E CB -0.321 29.394 29.700 0.024 0.000 0.746 366 E HN 0.073 nan 8.360 nan 0.000 0.450 367 V N 0.733 120.582 119.914 -0.109 0.000 2.261 367 V HA -0.267 3.845 4.120 -0.013 0.000 0.246 367 V C 2.440 178.462 176.094 -0.120 0.000 1.047 367 V CA 2.213 64.466 62.300 -0.078 0.000 1.015 367 V CB -0.852 30.920 31.823 -0.085 0.000 0.642 367 V HN 0.380 nan 8.190 nan 0.000 0.446 368 T N 0.140 114.553 114.554 -0.235 0.000 2.635 368 T HA -0.213 4.129 4.350 -0.013 0.000 0.267 368 T C 1.934 176.442 174.700 -0.320 0.000 1.040 368 T CA 1.944 63.876 62.100 -0.280 0.000 1.156 368 T CB -0.370 68.268 68.868 -0.384 0.000 0.863 368 T HN 0.265 nan 8.240 nan 0.000 0.430 369 V N 1.167 120.756 119.914 -0.541 0.000 2.392 369 V HA -0.174 3.938 4.120 -0.013 0.000 0.249 369 V C 2.384 178.409 176.094 -0.116 0.000 1.059 369 V CA 1.651 63.695 62.300 -0.426 0.000 1.051 369 V CB -0.483 31.011 31.823 -0.550 0.000 0.658 369 V HN 0.432 nan 8.190 nan 0.000 0.455 370 K N -0.373 119.948 120.400 -0.132 0.000 2.365 370 K HA -0.100 4.213 4.320 -0.013 0.000 0.199 370 K C 2.144 178.700 176.600 -0.073 0.000 1.045 370 K CA 1.483 57.690 56.287 -0.133 0.000 0.962 370 K CB -0.094 32.329 32.500 -0.128 0.000 0.759 370 K HN 0.659 nan 8.250 nan 0.000 0.469 371 T N -2.147 112.424 114.554 0.028 0.000 3.015 371 T HA 0.098 4.441 4.350 -0.013 0.000 0.250 371 T C 0.633 175.428 174.700 0.157 0.000 1.057 371 T CA -0.317 61.828 62.100 0.076 0.000 1.066 371 T CB -0.009 68.901 68.868 0.070 0.000 0.959 371 T HN -0.001 nan 8.240 nan 0.000 0.488 372 C N 2.616 121.999 119.300 0.137 0.000 2.401 372 C HA 0.918 5.370 4.460 -0.013 0.000 0.365 372 C C 0.567 175.607 174.990 0.084 0.000 1.250 372 C CA -0.793 58.285 59.018 0.099 0.000 2.131 372 C CB 0.180 27.917 27.740 -0.005 0.000 2.445 372 C HN 0.748 nan 8.230 nan 0.000 0.550 373 A N 2.332 125.196 122.820 0.073 0.000 2.486 373 A HA 0.725 5.037 4.320 -0.013 0.000 0.300 373 A C -1.491 176.165 177.584 0.119 0.000 1.048 373 A CA -0.407 51.624 52.037 -0.010 0.000 0.696 373 A CB 0.954 19.970 19.000 0.026 0.000 1.278 373 A HN 0.937 nan 8.150 nan 0.000 0.405 374 Y N 1.371 121.618 120.300 -0.089 0.000 2.364 374 Y HA 0.649 5.192 4.550 -0.012 0.000 0.340 374 Y C -0.448 175.436 175.900 -0.026 0.000 0.975 374 Y CA -0.353 57.711 58.100 -0.060 0.000 1.089 374 Y CB 1.976 40.358 38.460 -0.131 0.000 1.192 374 Y HN 0.567 nan 8.280 nan 0.000 0.454 375 T N 6.561 120.982 114.554 -0.222 0.000 2.779 375 T HA 0.189 4.531 4.350 -0.013 0.000 0.280 375 T C -0.851 173.450 174.700 -0.665 0.000 0.987 375 T CA -0.813 61.063 62.100 -0.372 0.000 0.966 375 T CB 0.493 69.362 68.868 0.002 0.000 0.933 375 T HN 0.645 nan 8.240 nan 0.000 0.442 376 N N 1.676 119.951 118.700 -0.708 0.000 2.473 376 N HA 0.172 4.904 4.740 -0.013 0.000 0.291 376 N C 0.026 175.427 175.510 -0.182 0.000 1.083 376 N CA -0.373 52.474 53.050 -0.337 0.000 0.951 376 N CB 0.871 39.300 38.487 -0.096 0.000 1.164 376 N HN 0.692 nan 8.380 nan 0.000 0.480 377 H N 0.778 119.870 119.070 0.037 0.000 3.058 377 H HA 0.153 4.702 4.556 -0.013 0.000 0.266 377 H C -0.180 175.045 175.328 -0.173 0.000 1.135 377 H CA -0.023 55.987 56.048 -0.063 0.000 1.174 377 H CB 1.282 31.023 29.762 -0.035 0.000 1.581 377 H HN 0.523 nan 8.280 nan 0.000 0.553 378 T N 0.259 114.829 114.554 0.027 0.000 2.830 378 T HA 0.266 4.609 4.350 -0.013 0.000 0.322 378 T C 0.333 175.046 174.700 0.021 0.000 1.501 378 T CA -0.353 61.712 62.100 -0.059 0.000 1.036 378 T CB 1.484 70.318 68.868 -0.057 0.000 1.379 378 T HN -0.039 nan 8.240 nan 0.000 0.493 379 V N 1.414 121.304 119.914 -0.040 0.000 3.477 379 V HA 0.502 4.615 4.120 -0.013 0.000 0.297 379 V C 0.854 176.906 176.094 -0.069 0.000 1.433 379 V CA -0.034 62.235 62.300 -0.051 0.000 1.052 379 V CB -0.678 31.120 31.823 -0.041 0.000 0.895 379 V HN 0.802 nan 8.190 nan 0.000 0.438 380 I N -0.279 120.240 120.570 -0.085 0.000 2.556 380 I HA 0.337 4.500 4.170 -0.013 0.000 0.284 380 I C -0.692 175.415 176.117 -0.016 0.000 1.114 380 I CA -1.713 59.561 61.300 -0.044 0.000 1.418 380 I CB 0.648 38.615 38.000 -0.054 0.000 1.394 380 I HN -0.054 nan 8.210 nan 0.000 0.552 381 P HA -0.254 nan 4.420 nan 0.000 0.216 381 P C 1.092 178.379 177.300 -0.021 0.000 1.150 381 P CA 1.630 64.722 63.100 -0.014 0.000 0.843 381 P CB -0.104 31.594 31.700 -0.003 0.000 0.787 382 E N 0.184 120.393 120.200 0.016 0.000 2.478 382 E HA -0.038 4.304 4.350 -0.013 0.000 0.198 382 E C 1.551 178.088 176.600 -0.106 0.000 1.046 382 E CA 1.026 57.404 56.400 -0.036 0.000 0.870 382 E CB -0.623 29.144 29.700 0.112 0.000 0.818 382 E HN 0.221 nan 8.360 nan 0.000 0.527 383 A N 0.975 123.787 122.820 -0.014 0.000 2.220 383 A HA 0.210 4.523 4.320 -0.013 0.000 0.211 383 A C 1.114 178.677 177.584 -0.035 0.000 1.176 383 A CA -0.331 51.718 52.037 0.021 0.000 0.834 383 A CB 0.165 19.204 19.000 0.065 0.000 0.868 383 A HN 0.143 nan 8.150 nan 0.000 0.488 384 L N 1.798 122.959 121.223 -0.103 0.000 2.410 384 L HA 0.141 4.474 4.340 -0.013 0.000 0.273 384 L C -0.042 176.507 176.870 -0.535 0.000 1.152 384 L CA 0.470 55.192 54.840 -0.197 0.000 0.855 384 L CB 0.394 42.370 42.059 -0.137 0.000 1.129 384 L HN 0.398 nan 8.230 nan 0.000 0.463 385 E N 4.913 124.703 120.200 -0.684 0.000 2.129 385 E HA 0.189 4.532 4.350 -0.013 0.000 0.283 385 E C -0.495 175.496 176.600 -1.016 0.000 1.080 385 E CA -0.193 55.366 56.400 -1.403 0.000 0.867 385 E CB 0.668 29.882 29.700 -0.810 0.000 1.056 385 E HN 0.367 nan 8.360 nan 0.000 0.404 386 R N 3.836 123.631 120.500 -1.176 0.000 2.472 386 R HA 0.205 4.537 4.340 -0.013 0.000 0.294 386 R C -1.216 174.927 176.300 -0.261 0.000 1.243 386 R CA -0.567 55.259 56.100 -0.457 0.000 1.023 386 R CB 0.874 31.033 30.300 -0.236 0.000 1.157 386 R HN 0.423 nan 8.270 nan 0.000 0.530 387 W N 4.567 125.829 121.300 -0.063 0.000 2.322 387 W HA 0.274 4.927 4.660 -0.013 0.000 0.307 387 W C -1.909 174.588 176.519 -0.037 0.000 1.220 387 W CA -2.181 55.182 57.345 0.031 0.000 1.210 387 W CB 0.785 30.239 29.460 -0.010 0.000 1.223 387 W HN 0.257 nan 8.180 nan 0.000 0.511 388 P HA -0.087 nan 4.420 nan 0.000 0.264 388 P C 0.774 178.012 177.300 -0.103 0.000 1.193 388 P CA 0.196 63.287 63.100 -0.015 0.000 0.763 388 P CB 0.784 32.351 31.700 -0.222 0.000 0.810 389 V N 3.235 123.144 119.914 -0.008 0.000 2.392 389 V HA -0.280 3.832 4.120 -0.013 0.000 0.249 389 V C 2.111 178.205 176.094 -0.000 0.000 1.059 389 V CA 2.492 64.800 62.300 0.014 0.000 1.051 389 V CB -1.764 30.131 31.823 0.119 0.000 0.658 389 V HN 0.759 nan 8.190 nan 0.000 0.455 390 H N -1.153 117.972 119.070 0.091 0.000 2.489 390 H HA -0.093 4.456 4.556 -0.012 0.000 0.293 390 H C 2.017 177.389 175.328 0.073 0.000 1.066 390 H CA 1.604 57.701 56.048 0.081 0.000 1.305 390 H CB -0.472 29.339 29.762 0.081 0.000 1.386 390 H HN 0.372 nan 8.280 nan 0.000 0.551 391 L N -0.126 120.914 121.223 -0.305 0.000 2.068 391 L HA -0.035 4.297 4.340 -0.013 0.000 0.204 391 L C 2.322 179.126 176.870 -0.110 0.000 1.076 391 L CA 0.773 55.533 54.840 -0.132 0.000 0.753 391 L CB -0.170 41.802 42.059 -0.145 0.000 0.910 391 L HN 0.322 nan 8.230 nan 0.000 0.439 392 L N -0.478 120.658 121.223 -0.145 0.000 2.093 392 L HA -0.237 4.095 4.340 -0.013 0.000 0.208 392 L C 2.504 179.300 176.870 -0.124 0.000 1.085 392 L CA 1.136 55.867 54.840 -0.182 0.000 0.755 392 L CB -0.372 41.574 42.059 -0.188 0.000 0.904 392 L HN 0.347 nan 8.230 nan 0.000 0.435 393 E N -0.492 119.679 120.200 -0.048 0.000 2.085 393 E HA -0.220 4.123 4.350 -0.013 0.000 0.194 393 E C 1.889 178.516 176.600 0.046 0.000 0.994 393 E CA 1.855 58.263 56.400 0.013 0.000 0.801 393 E CB 0.152 29.901 29.700 0.080 0.000 0.743 393 E HN 0.400 nan 8.360 nan 0.000 0.453 394 T N 0.647 115.246 114.554 0.076 0.000 2.852 394 T HA -0.059 4.283 4.350 -0.013 0.000 0.256 394 T C 1.679 176.472 174.700 0.154 0.000 1.038 394 T CA 0.635 62.827 62.100 0.154 0.000 1.141 394 T CB -0.080 68.912 68.868 0.206 0.000 0.869 394 T HN 0.063 nan 8.240 nan 0.000 0.439 395 L N 0.116 121.328 121.223 -0.018 0.000 2.162 395 L HA 0.354 4.687 4.340 -0.013 0.000 0.205 395 L C 0.313 177.092 176.870 -0.153 0.000 1.086 395 L CA 1.553 56.256 54.840 -0.229 0.000 0.778 395 L CB 0.061 41.951 42.059 -0.283 0.000 0.928 395 L HN 0.167 nan 8.230 nan 0.000 0.446 396 L N 0.610 121.706 121.223 -0.212 0.000 2.551 396 L HA 0.294 4.626 4.340 -0.013 0.000 0.248 396 L C -1.671 175.002 176.870 -0.329 0.000 1.509 396 L CA -1.022 53.593 54.840 -0.374 0.000 0.842 396 L CB 0.870 42.524 42.059 -0.676 0.000 1.087 396 L HN -0.075 nan 8.230 nan 0.000 0.512 397 P HA -0.225 nan 4.420 nan 0.000 0.216 397 P C 1.491 178.609 177.300 -0.303 0.000 1.153 397 P CA 1.330 64.311 63.100 -0.199 0.000 0.858 397 P CB 0.342 32.000 31.700 -0.070 0.000 0.789 398 R N -0.672 119.478 120.500 -0.584 0.000 2.115 398 R HA -0.124 4.208 4.340 -0.013 0.000 0.226 398 R C 2.307 178.338 176.300 -0.449 0.000 1.100 398 R CA 1.370 57.148 56.100 -0.537 0.000 0.980 398 R CB -1.182 28.653 30.300 -0.775 0.000 0.875 398 R HN 0.211 nan 8.270 nan 0.000 0.445 399 H N -0.276 118.482 119.070 -0.520 0.000 2.423 399 H HA -0.041 4.507 4.556 -0.013 0.000 0.297 399 H C 1.717 176.875 175.328 -0.284 0.000 1.075 399 H CA 1.543 57.370 56.048 -0.368 0.000 1.342 399 H CB -0.001 29.506 29.762 -0.425 0.000 1.395 399 H HN 0.105 nan 8.280 nan 0.000 0.530 400 L N 0.423 121.529 121.223 -0.195 0.000 2.056 400 L HA -0.217 4.115 4.340 -0.013 0.000 0.207 400 L C 1.784 178.482 176.870 -0.287 0.000 1.078 400 L CA 1.588 56.247 54.840 -0.301 0.000 0.749 400 L CB -0.297 41.602 42.059 -0.266 0.000 0.901 400 L HN 0.421 nan 8.230 nan 0.000 0.433 401 Q N -0.335 119.402 119.800 -0.104 0.000 2.124 401 Q HA -0.230 4.102 4.340 -0.013 0.000 0.202 401 Q C 2.173 178.201 176.000 0.047 0.000 0.977 401 Q CA 1.579 57.409 55.803 0.045 0.000 0.850 401 Q CB -0.034 28.728 28.738 0.040 0.000 0.901 401 Q HN 0.552 nan 8.270 nan 0.000 0.429 402 I N 0.283 120.855 120.570 0.004 0.000 2.252 402 I HA -0.261 3.901 4.170 -0.013 0.000 0.245 402 I C 2.115 178.306 176.117 0.123 0.000 1.102 402 I CA 0.948 62.328 61.300 0.133 0.000 1.385 402 I CB -0.080 37.935 38.000 0.025 0.000 1.064 402 I HN 0.204 nan 8.210 nan 0.000 0.414 403 I N -0.456 120.106 120.570 -0.012 0.000 2.226 403 I HA -0.324 3.839 4.170 -0.013 0.000 0.245 403 I C 2.398 178.528 176.117 0.021 0.000 1.100 403 I CA 1.463 62.743 61.300 -0.033 0.000 1.374 403 I CB -0.402 37.506 38.000 -0.153 0.000 1.057 403 I HN 0.167 nan 8.210 nan 0.000 0.413 404 Y N 0.941 121.246 120.300 0.008 0.000 2.224 404 Y HA -0.276 4.266 4.550 -0.012 0.000 0.289 404 Y C 2.588 178.454 175.900 -0.056 0.000 1.146 404 Y CA 1.638 59.730 58.100 -0.014 0.000 1.182 404 Y CB -0.715 37.729 38.460 -0.027 0.000 0.983 404 Y HN 0.242 nan 8.280 nan 0.000 0.524 405 E N 0.286 120.527 120.200 0.069 0.000 2.107 405 E HA -0.122 4.220 4.350 -0.013 0.000 0.191 405 E C 1.979 178.491 176.600 -0.146 0.000 0.982 405 E CA 1.164 57.467 56.400 -0.161 0.000 0.809 405 E CB -0.542 28.910 29.700 -0.413 0.000 0.756 405 E HN 0.483 nan 8.360 nan 0.000 0.459 406 I N 0.636 121.215 120.570 0.015 0.000 2.252 406 I HA -0.229 3.933 4.170 -0.013 0.000 0.245 406 I C 2.242 178.352 176.117 -0.011 0.000 1.102 406 I CA 1.210 62.469 61.300 -0.069 0.000 1.385 406 I CB -0.335 37.631 38.000 -0.057 0.000 1.064 406 I HN 0.207 nan 8.210 nan 0.000 0.414 407 N N 0.747 119.495 118.700 0.081 0.000 2.069 407 N HA -0.260 4.473 4.740 -0.013 0.000 0.191 407 N C 1.870 177.462 175.510 0.137 0.000 1.031 407 N CA 1.596 54.749 53.050 0.173 0.000 0.852 407 N CB -0.104 38.504 38.487 0.201 0.000 1.018 407 N HN 0.269 nan 8.380 nan 0.000 0.423 408 Q N -0.243 119.583 119.800 0.043 0.000 2.077 408 Q HA -0.122 4.211 4.340 -0.013 0.000 0.206 408 Q C 2.033 178.011 176.000 -0.037 0.000 0.989 408 Q CA 1.616 57.407 55.803 -0.021 0.000 0.853 408 Q CB 0.019 28.701 28.738 -0.093 0.000 0.907 408 Q HN 0.424 nan 8.270 nan 0.000 0.418 409 R N -0.870 119.587 120.500 -0.071 0.000 2.090 409 R HA -0.107 4.225 4.340 -0.013 0.000 0.228 409 R C 2.141 178.466 176.300 0.040 0.000 1.110 409 R CA 1.050 57.109 56.100 -0.069 0.000 0.973 409 R CB -0.356 29.847 30.300 -0.160 0.000 0.869 409 R HN 0.251 nan 8.270 nan 0.000 0.440 410 F N 1.893 121.813 119.950 -0.050 0.000 2.113 410 F HA -0.082 4.438 4.527 -0.013 0.000 0.297 410 F C 1.936 177.758 175.800 0.038 0.000 1.103 410 F CA 1.246 59.266 58.000 0.032 0.000 1.248 410 F CB -0.333 38.717 39.000 0.084 0.000 0.999 410 F HN -0.142 nan 8.300 nan 0.000 0.475 411 L N 0.164 121.355 121.223 -0.052 0.000 2.127 411 L HA -0.277 4.056 4.340 -0.013 0.000 0.211 411 L C 2.042 178.821 176.870 -0.151 0.000 1.089 411 L CA 1.828 56.573 54.840 -0.157 0.000 0.757 411 L CB -0.948 41.100 42.059 -0.017 0.000 0.899 411 L HN 0.276 nan 8.230 nan 0.000 0.434 412 N N -0.424 118.219 118.700 -0.095 0.000 2.223 412 N HA -0.181 4.551 4.740 -0.013 0.000 0.185 412 N C 1.947 177.400 175.510 -0.095 0.000 1.016 412 N CA 0.664 53.666 53.050 -0.080 0.000 0.863 412 N CB 0.013 38.463 38.487 -0.062 0.000 0.983 412 N HN 0.238 nan 8.380 nan 0.000 0.429 413 R N 0.549 120.976 120.500 -0.122 0.000 2.066 413 R HA -0.053 4.280 4.340 -0.013 0.000 0.232 413 R C 2.119 178.324 176.300 -0.158 0.000 1.131 413 R CA 0.881 56.912 56.100 -0.114 0.000 0.955 413 R CB -0.202 30.046 30.300 -0.086 0.000 0.851 413 R HN 0.035 nan 8.270 nan 0.000 0.432 414 V N 0.719 120.480 119.914 -0.254 0.000 2.261 414 V HA -0.266 3.847 4.120 -0.013 0.000 0.246 414 V C 2.377 178.465 176.094 -0.009 0.000 1.047 414 V CA 2.010 64.232 62.300 -0.131 0.000 1.015 414 V CB -0.840 30.825 31.823 -0.263 0.000 0.642 414 V HN 0.478 nan 8.190 nan 0.000 0.446 415 A N 0.143 122.930 122.820 -0.056 0.000 1.917 415 A HA -0.213 4.100 4.320 -0.013 0.000 0.219 415 A C 2.404 179.963 177.584 -0.041 0.000 1.182 415 A CA 2.463 54.485 52.037 -0.026 0.000 0.633 415 A CB -0.884 18.090 19.000 -0.043 0.000 0.819 415 A HN 0.626 nan 8.150 nan 0.000 0.448 416 A N -0.709 122.068 122.820 -0.073 0.000 1.969 416 A HA 0.237 4.549 4.320 -0.013 0.000 0.218 416 A C 2.392 179.886 177.584 -0.150 0.000 1.169 416 A CA 1.932 53.915 52.037 -0.090 0.000 0.635 416 A CB -0.706 18.246 19.000 -0.079 0.000 0.810 416 A HN 1.025 nan 8.150 nan 0.000 0.445 417 A N -1.446 121.238 122.820 -0.227 0.000 1.935 417 A HA 0.371 4.684 4.320 -0.013 0.000 0.214 417 A C 0.501 177.643 177.584 -0.737 0.000 1.178 417 A CA 0.503 52.231 52.037 -0.515 0.000 0.640 417 A CB -0.141 18.454 19.000 -0.675 0.000 0.825 417 A HN 0.423 nan 8.150 nan 0.000 0.447 418 F N 0.311 120.212 119.950 -0.082 0.000 2.449 418 F HA 0.356 4.875 4.527 -0.013 0.000 0.329 418 F C -2.723 173.038 175.800 -0.065 0.000 1.245 418 F CA -2.917 55.040 58.000 -0.072 0.000 1.193 418 F CB 0.660 39.608 39.000 -0.086 0.000 1.425 418 F HN -0.058 nan 8.300 nan 0.000 0.544 419 P HA 0.134 nan 4.420 nan 0.000 0.261 419 P C 1.037 178.355 177.300 0.030 0.000 1.183 419 P CA 1.133 64.243 63.100 0.016 0.000 0.761 419 P CB 0.747 32.439 31.700 -0.014 0.000 0.785 420 G N 2.830 111.641 108.800 0.018 0.000 2.234 420 G HA2 -0.255 3.698 3.960 -0.013 0.000 0.260 420 G HA3 -0.255 3.698 3.960 -0.013 0.000 0.260 420 G C 0.387 175.295 174.900 0.013 0.000 0.987 420 G CA 0.026 45.133 45.100 0.012 0.000 0.625 420 G HN 0.586 nan 8.290 nan 0.000 0.532 421 D N 1.024 121.442 120.400 0.029 0.000 2.545 421 D HA 0.383 5.015 4.640 -0.013 0.000 0.227 421 D C 1.579 177.866 176.300 -0.021 0.000 1.150 421 D CA 0.405 54.407 54.000 0.002 0.000 1.046 421 D CB 0.566 41.365 40.800 -0.002 0.000 1.098 421 D HN 0.125 nan 8.370 nan 0.000 0.502 422 V N 2.734 122.638 119.914 -0.017 0.000 2.626 422 V HA -0.197 3.916 4.120 -0.013 0.000 0.252 422 V C 1.674 177.753 176.094 -0.025 0.000 1.067 422 V CA 1.792 64.081 62.300 -0.019 0.000 1.081 422 V CB 0.032 31.848 31.823 -0.012 0.000 0.686 422 V HN 0.377 nan 8.190 nan 0.000 0.468 423 D N -0.489 119.892 120.400 -0.032 0.000 2.194 423 D HA -0.156 4.477 4.640 -0.013 0.000 0.204 423 D C 2.303 178.573 176.300 -0.051 0.000 0.964 423 D CA 1.023 55.005 54.000 -0.031 0.000 0.846 423 D CB -0.154 40.629 40.800 -0.029 0.000 0.962 423 D HN 0.392 nan 8.370 nan 0.000 0.490 424 R N -0.303 120.142 120.500 -0.092 0.000 2.081 424 R HA -0.131 4.202 4.340 -0.013 0.000 0.235 424 R C 1.857 178.082 176.300 -0.126 0.000 1.131 424 R CA 0.899 56.905 56.100 -0.157 0.000 0.960 424 R CB -0.304 29.841 30.300 -0.258 0.000 0.856 424 R HN 0.150 nan 8.270 nan 0.000 0.436 425 L N 1.439 122.613 121.223 -0.083 0.000 1.989 425 L HA -0.200 4.132 4.340 -0.013 0.000 0.211 425 L C 2.590 179.458 176.870 -0.004 0.000 1.071 425 L CA 2.238 57.046 54.840 -0.053 0.000 0.749 425 L CB -0.796 41.243 42.059 -0.032 0.000 0.890 425 L HN 0.319 nan 8.230 nan 0.000 0.431 426 R N -1.151 119.356 120.500 0.012 0.000 2.115 426 R HA -0.083 4.250 4.340 -0.013 0.000 0.230 426 R C 2.210 178.563 176.300 0.089 0.000 1.111 426 R CA 1.107 57.238 56.100 0.051 0.000 0.976 426 R CB -0.652 29.672 30.300 0.040 0.000 0.870 426 R HN 0.175 nan 8.270 nan 0.000 0.445 427 R N 0.212 120.747 120.500 0.058 0.000 2.092 427 R HA 0.068 4.400 4.340 -0.013 0.000 0.231 427 R C 2.121 178.526 176.300 0.176 0.000 1.119 427 R CA 1.902 58.063 56.100 0.103 0.000 0.970 427 R CB -0.194 30.123 30.300 0.028 0.000 0.864 427 R HN 0.334 nan 8.270 nan 0.000 0.440 428 M N 0.040 119.660 119.600 0.034 0.000 2.541 428 M HA 0.020 4.493 4.480 -0.013 0.000 0.252 428 M C 0.897 177.374 176.300 0.296 0.000 1.125 428 M CA 0.061 55.338 55.300 -0.038 0.000 1.091 428 M CB 0.346 32.755 32.600 -0.317 0.000 1.420 428 M HN -0.072 nan 8.290 nan 0.000 0.486 429 S N 0.966 116.842 115.700 0.294 0.000 2.558 429 S HA 0.017 4.479 4.470 -0.013 0.000 0.287 429 S C 1.146 176.028 174.600 0.469 0.000 1.321 429 S CA -0.141 58.260 58.200 0.335 0.000 1.048 429 S CB 0.531 63.863 63.200 0.221 0.000 0.844 429 S HN 0.342 nan 8.310 nan 0.000 0.512 430 L N 3.856 125.300 121.223 0.368 0.000 2.395 430 L HA 0.119 4.451 4.340 -0.013 0.000 0.218 430 L C 0.214 177.197 176.870 0.190 0.000 1.130 430 L CA 0.343 55.356 54.840 0.287 0.000 0.826 430 L CB -0.326 41.844 42.059 0.185 0.000 0.941 430 L HN 0.388 nan 8.230 nan 0.000 0.451 431 V N 0.589 120.627 119.914 0.208 0.000 2.394 431 V HA 0.204 4.316 4.120 -0.013 0.000 0.282 431 V C -0.025 176.158 176.094 0.149 0.000 1.031 431 V CA -0.610 61.797 62.300 0.178 0.000 0.881 431 V CB 1.674 33.639 31.823 0.236 0.000 0.982 431 V HN 0.160 nan 8.190 nan 0.000 0.451 432 E N 3.066 123.332 120.200 0.111 0.000 2.133 432 E HA 0.432 4.774 4.350 -0.013 0.000 0.274 432 E C -0.769 175.882 176.600 0.086 0.000 0.930 432 E CA -0.560 55.894 56.400 0.090 0.000 0.770 432 E CB 2.046 31.778 29.700 0.054 0.000 1.104 432 E HN 0.628 nan 8.360 nan 0.000 0.403 433 E N 1.029 121.277 120.200 0.079 0.000 2.314 433 E HA 0.651 4.993 4.350 -0.013 0.000 0.262 433 E C 0.189 176.824 176.600 0.058 0.000 1.093 433 E CA 0.377 56.818 56.400 0.069 0.000 0.908 433 E CB 1.469 31.203 29.700 0.058 0.000 1.091 433 E HN 0.645 nan 8.360 nan 0.000 0.425 434 G N -0.022 108.811 108.800 0.055 0.000 2.291 434 G HA2 0.221 4.174 3.960 -0.013 0.000 0.249 434 G HA3 0.221 4.174 3.960 -0.013 0.000 0.249 434 G C 0.549 175.479 174.900 0.050 0.000 1.340 434 G CA 0.299 45.427 45.100 0.047 0.000 1.017 434 G HN 0.666 nan 8.290 nan 0.000 0.470 435 A N -0.820 122.027 122.820 0.046 0.000 1.879 435 A HA 0.220 4.533 4.320 -0.013 0.000 0.222 435 A C 1.858 179.480 177.584 0.063 0.000 1.368 435 A CA 4.722 56.788 52.037 0.047 0.000 0.707 435 A CB -1.322 17.705 19.000 0.045 0.000 0.846 435 A HN 2.446 nan 8.150 nan 0.000 0.468 436 V N -2.965 116.998 119.914 0.083 0.000 2.680 436 V HA 0.589 4.701 4.120 -0.013 0.000 0.309 436 V C -0.538 175.626 176.094 0.118 0.000 1.052 436 V CA -1.352 61.019 62.300 0.120 0.000 0.908 436 V CB 1.731 33.658 31.823 0.173 0.000 1.001 436 V HN 0.423 nan 8.190 nan 0.000 0.431 437 K N 3.959 124.439 120.400 0.133 0.000 2.326 437 K HA 0.518 4.830 4.320 -0.013 0.000 0.275 437 K C -0.438 176.234 176.600 0.119 0.000 1.018 437 K CA -0.276 56.086 56.287 0.124 0.000 0.962 437 K CB 1.000 33.587 32.500 0.144 0.000 0.953 437 K HN 0.726 nan 8.250 nan 0.000 0.475 438 R N 1.164 121.721 120.500 0.096 0.000 2.836 438 R HA 0.499 4.832 4.340 -0.013 0.000 0.269 438 R C -0.686 175.653 176.300 0.065 0.000 1.010 438 R CA -1.008 55.138 56.100 0.076 0.000 0.930 438 R CB 1.341 31.669 30.300 0.047 0.000 1.218 438 R HN 0.386 nan 8.270 nan 0.000 0.473 439 I N 1.758 122.362 120.570 0.055 0.000 2.378 439 I HA 0.186 4.349 4.170 -0.013 0.000 0.291 439 I C -0.336 175.770 176.117 -0.019 0.000 0.992 439 I CA -0.755 60.564 61.300 0.032 0.000 1.154 439 I CB 1.426 39.441 38.000 0.024 0.000 1.315 439 I HN 0.490 nan 8.210 nan 0.000 0.448 440 N N 6.898 125.560 118.700 -0.064 0.000 2.439 440 N HA 0.098 4.830 4.740 -0.013 0.000 0.243 440 N C 0.866 176.287 175.510 -0.148 0.000 1.088 440 N CA -0.368 52.570 53.050 -0.188 0.000 0.940 440 N CB 0.909 39.154 38.487 -0.404 0.000 1.180 440 N HN 0.374 nan 8.380 nan 0.000 0.505 441 M N 2.308 121.822 119.600 -0.142 0.000 2.149 441 M HA -0.109 4.364 4.480 -0.013 0.000 0.261 441 M C 1.983 178.148 176.300 -0.225 0.000 1.064 441 M CA 0.951 56.177 55.300 -0.123 0.000 1.102 441 M CB -1.639 30.920 32.600 -0.069 0.000 1.369 441 M HN 0.605 nan 8.290 nan 0.000 0.408 442 A N -0.766 121.920 122.820 -0.223 0.000 1.902 442 A HA -0.186 4.127 4.320 -0.013 0.000 0.217 442 A C 2.029 179.420 177.584 -0.322 0.000 1.181 442 A CA 1.599 53.479 52.037 -0.262 0.000 0.623 442 A CB -1.161 17.882 19.000 0.071 0.000 0.818 442 A HN 0.623 nan 8.150 nan 0.000 0.443 443 H N -1.146 117.729 119.070 -0.324 0.000 2.389 443 H HA -0.022 4.527 4.556 -0.013 0.000 0.299 443 H C 2.117 177.234 175.328 -0.353 0.000 1.081 443 H CA 0.894 56.705 56.048 -0.395 0.000 1.345 443 H CB -0.034 29.707 29.762 -0.036 0.000 1.393 443 H HN 0.372 nan 8.280 nan 0.000 0.520 444 L N 0.321 121.471 121.223 -0.122 0.000 2.017 444 L HA -0.232 4.101 4.340 -0.013 0.000 0.208 444 L C 2.312 179.054 176.870 -0.212 0.000 1.073 444 L CA 1.339 56.104 54.840 -0.125 0.000 0.745 444 L CB -0.412 41.595 42.059 -0.087 0.000 0.894 444 L HN 0.448 nan 8.230 nan 0.000 0.432 445 C N 0.050 119.125 119.300 -0.375 0.000 2.429 445 C HA -0.188 4.265 4.460 -0.013 0.000 0.277 445 C C 2.670 177.434 174.990 -0.377 0.000 1.262 445 C CA 0.640 59.365 59.018 -0.489 0.000 1.733 445 C CB -0.791 26.279 27.740 -1.117 0.000 2.010 445 C HN 0.509 nan 8.230 nan 0.000 0.483 446 I N 1.431 121.735 120.570 -0.443 0.000 2.179 446 I HA -0.227 3.936 4.170 -0.013 0.000 0.242 446 I C 2.747 178.711 176.117 -0.254 0.000 1.088 446 I CA 1.724 62.795 61.300 -0.383 0.000 1.357 446 I CB -0.538 37.084 38.000 -0.630 0.000 1.051 446 I HN 0.283 nan 8.210 nan 0.000 0.409 447 A N 0.452 123.097 122.820 -0.292 0.000 1.933 447 A HA -0.100 4.213 4.320 -0.013 0.000 0.218 447 A C 2.215 179.838 177.584 0.065 0.000 1.175 447 A CA 1.873 53.780 52.037 -0.217 0.000 0.628 447 A CB -1.145 17.567 19.000 -0.480 0.000 0.814 447 A HN 0.484 nan 8.150 nan 0.000 0.444 448 G N -1.152 107.635 108.800 -0.023 0.000 3.284 448 G HA2 0.417 4.369 3.960 -0.013 0.000 0.236 448 G HA3 0.417 4.369 3.960 -0.013 0.000 0.236 448 G C 0.117 174.856 174.900 -0.268 0.000 1.158 448 G CA 0.507 45.468 45.100 -0.231 0.000 0.774 448 G HN 0.359 nan 8.290 nan 0.000 0.545 449 S N -0.425 115.176 115.700 -0.165 0.000 2.566 449 S HA 0.346 4.808 4.470 -0.013 0.000 0.298 449 S C 0.596 175.154 174.600 -0.070 0.000 1.083 449 S CA -0.720 57.411 58.200 -0.115 0.000 0.978 449 S CB 1.271 64.407 63.200 -0.107 0.000 1.073 449 S HN 0.497 nan 8.310 nan 0.000 0.491 450 H N -0.441 118.594 119.070 -0.058 0.000 2.539 450 H HA 0.577 5.125 4.556 -0.013 0.000 0.269 450 H C -0.013 175.308 175.328 -0.012 0.000 0.980 450 H CA 0.082 56.123 56.048 -0.011 0.000 1.152 450 H CB 0.129 29.896 29.762 0.008 0.000 1.407 450 H HN 0.526 nan 8.280 nan 0.000 0.564 451 A N 0.834 123.388 122.820 -0.443 0.000 2.517 451 A HA 0.546 4.858 4.320 -0.013 0.000 0.297 451 A C -1.544 175.842 177.584 -0.330 0.000 1.050 451 A CA -0.551 51.260 52.037 -0.377 0.000 0.694 451 A CB 2.045 20.781 19.000 -0.441 0.000 1.277 451 A HN 0.093 nan 8.150 nan 0.000 0.400 452 V N 4.010 123.691 119.914 -0.388 0.000 2.577 452 V HA 0.590 4.703 4.120 -0.013 0.000 0.303 452 V C -0.734 175.171 176.094 -0.315 0.000 1.042 452 V CA -0.728 61.328 62.300 -0.408 0.000 0.872 452 V CB 1.892 33.305 31.823 -0.683 0.000 0.998 452 V HN 1.037 nan 8.190 nan 0.000 0.423 453 N N 2.884 121.418 118.700 -0.278 0.000 2.284 453 N HA 0.612 5.345 4.740 -0.013 0.000 0.289 453 N C -0.320 175.088 175.510 -0.170 0.000 1.179 453 N CA -0.381 52.551 53.050 -0.196 0.000 0.774 453 N CB 2.887 41.238 38.487 -0.226 0.000 1.548 453 N HN 0.655 nan 8.380 nan 0.000 0.473 454 G N -0.799 107.935 108.800 -0.109 0.000 2.531 454 G HA2 0.425 4.378 3.960 -0.013 0.000 0.313 454 G HA3 0.425 4.378 3.960 -0.013 0.000 0.313 454 G C 0.774 175.729 174.900 0.092 0.000 1.238 454 G CA -0.492 44.597 45.100 -0.019 0.000 0.994 454 G HN 0.626 nan 8.290 nan 0.000 0.493 455 V N -3.619 116.463 119.914 0.281 0.000 3.483 455 V HA 0.689 4.801 4.120 -0.013 0.000 0.301 455 V C 0.585 176.755 176.094 0.126 0.000 1.389 455 V CA 0.374 62.748 62.300 0.124 0.000 1.101 455 V CB -0.806 31.032 31.823 0.025 0.000 0.971 455 V HN 1.298 nan 8.190 nan 0.000 0.434 456 A N -0.151 122.757 122.820 0.148 0.000 2.605 456 A HA 0.639 4.951 4.320 -0.013 0.000 0.294 456 A C 0.690 178.320 177.584 0.077 0.000 1.062 456 A CA -0.161 51.940 52.037 0.107 0.000 0.682 456 A CB 1.230 20.283 19.000 0.089 0.000 1.278 456 A HN 0.011 nan 8.150 nan 0.000 0.410 457 R N 0.727 121.252 120.500 0.043 0.000 2.096 457 R HA -0.169 4.164 4.340 -0.013 0.000 0.240 457 R C 1.766 178.059 176.300 -0.012 0.000 1.139 457 R CA 2.316 58.418 56.100 0.003 0.000 0.952 457 R CB -0.240 30.058 30.300 -0.003 0.000 0.854 457 R HN 0.840 nan 8.270 nan 0.000 0.436 458 I N 0.134 120.707 120.570 0.005 0.000 2.252 458 I HA -0.282 3.880 4.170 -0.013 0.000 0.245 458 I C 2.350 178.467 176.117 -0.001 0.000 1.102 458 I CA 1.949 63.243 61.300 -0.010 0.000 1.385 458 I CB -0.307 37.689 38.000 -0.008 0.000 1.064 458 I HN 0.326 nan 8.210 nan 0.000 0.414 459 H N 0.610 119.648 119.070 -0.053 0.000 2.352 459 H HA -0.147 4.401 4.556 -0.013 0.000 0.299 459 H C 2.220 177.509 175.328 -0.065 0.000 1.097 459 H CA 2.269 58.280 56.048 -0.061 0.000 1.311 459 H CB -0.369 29.362 29.762 -0.052 0.000 1.377 459 H HN 0.295 nan 8.280 nan 0.000 0.504 460 S N 0.120 115.677 115.700 -0.238 0.000 2.382 460 S HA -0.119 4.343 4.470 -0.013 0.000 0.228 460 S C 1.905 176.369 174.600 -0.227 0.000 1.027 460 S CA 1.205 59.246 58.200 -0.265 0.000 0.991 460 S CB -0.071 63.053 63.200 -0.127 0.000 0.823 460 S HN 0.485 nan 8.310 nan 0.000 0.469 461 E N 1.016 121.110 120.200 -0.176 0.000 2.107 461 E HA 0.034 4.376 4.350 -0.013 0.000 0.191 461 E C 1.993 178.474 176.600 -0.198 0.000 0.982 461 E CA 0.546 56.837 56.400 -0.182 0.000 0.809 461 E CB -0.352 29.273 29.700 -0.124 0.000 0.756 461 E HN 0.485 nan 8.360 nan 0.000 0.459 462 I N 0.948 121.414 120.570 -0.174 0.000 2.264 462 I HA -0.272 3.890 4.170 -0.013 0.000 0.248 462 I C 2.311 178.300 176.117 -0.214 0.000 1.111 462 I CA 0.738 61.942 61.300 -0.161 0.000 1.382 462 I CB -0.105 37.832 38.000 -0.105 0.000 1.060 462 I HN 0.061 nan 8.210 nan 0.000 0.418 463 L N 0.077 121.133 121.223 -0.278 0.000 2.046 463 L HA -0.235 4.097 4.340 -0.013 0.000 0.208 463 L C 2.497 179.245 176.870 -0.204 0.000 1.077 463 L CA 1.534 56.219 54.840 -0.258 0.000 0.747 463 L CB -0.590 41.385 42.059 -0.140 0.000 0.896 463 L HN 0.185 nan 8.230 nan 0.000 0.432 464 K N 0.026 120.236 120.400 -0.317 0.000 2.103 464 K HA -0.139 4.173 4.320 -0.013 0.000 0.204 464 K C 2.117 178.522 176.600 -0.326 0.000 1.052 464 K CA 1.110 57.074 56.287 -0.540 0.000 0.945 464 K CB 0.048 32.008 32.500 -0.901 0.000 0.722 464 K HN 0.234 nan 8.250 nan 0.000 0.443 465 K N -0.353 119.908 120.400 -0.232 0.000 2.243 465 K HA 0.009 4.321 4.320 -0.013 0.000 0.201 465 K C 1.352 177.897 176.600 -0.092 0.000 1.051 465 K CA 0.980 57.187 56.287 -0.135 0.000 0.970 465 K CB 0.434 32.864 32.500 -0.117 0.000 0.755 465 K HN 0.081 nan 8.250 nan 0.000 0.465 466 T N 0.402 114.888 114.554 -0.113 0.000 3.066 466 T HA 0.062 4.404 4.350 -0.013 0.000 0.176 466 T C 1.509 176.158 174.700 -0.085 0.000 0.826 466 T CA -0.372 61.674 62.100 -0.090 0.000 1.280 466 T CB -0.449 68.358 68.868 -0.102 0.000 2.214 466 T HN -0.080 nan 8.240 nan 0.000 0.399 467 I N 0.985 121.443 120.570 -0.186 0.000 2.143 467 I HA -0.162 4.001 4.170 -0.013 0.000 0.245 467 I C 0.774 176.826 176.117 -0.108 0.000 1.068 467 I CA 1.860 62.988 61.300 -0.287 0.000 1.326 467 I CB -0.171 37.437 38.000 -0.653 0.000 1.028 467 I HN 0.369 nan 8.210 nan 0.000 0.412 468 F N -0.346 119.677 119.950 0.121 0.000 2.850 468 F HA 0.213 4.733 4.527 -0.013 0.000 0.306 468 F C 1.765 177.652 175.800 0.145 0.000 1.162 468 F CA -0.504 57.645 58.000 0.249 0.000 1.327 468 F CB -0.129 39.031 39.000 0.268 0.000 0.953 468 F HN -0.104 nan 8.300 nan 0.000 0.507 469 K N 0.987 121.503 120.400 0.193 0.000 2.020 469 K HA -0.210 4.102 4.320 -0.013 0.000 0.212 469 K C 1.321 177.974 176.600 0.088 0.000 1.050 469 K CA 2.140 58.480 56.287 0.088 0.000 0.929 469 K CB -0.038 32.479 32.500 0.030 0.000 0.714 469 K HN 0.226 nan 8.250 nan 0.000 0.443 470 D N -0.124 120.295 120.400 0.032 0.000 2.149 470 D HA -0.170 4.463 4.640 -0.013 0.000 0.198 470 D C 1.834 178.038 176.300 -0.159 0.000 0.990 470 D CA 1.229 55.123 54.000 -0.178 0.000 0.839 470 D CB -0.320 40.271 40.800 -0.348 0.000 0.948 470 D HN 0.230 nan 8.370 nan 0.000 0.460 471 F N -0.218 119.808 119.950 0.127 0.000 2.259 471 F HA -0.134 4.385 4.527 -0.013 0.000 0.298 471 F C 2.306 178.250 175.800 0.240 0.000 1.088 471 F CA 0.454 58.609 58.000 0.259 0.000 1.358 471 F CB -0.570 38.658 39.000 0.379 0.000 1.040 471 F HN -0.035 nan 8.300 nan 0.000 0.505 472 Y N 1.357 121.615 120.300 -0.069 0.000 2.200 472 Y HA -0.169 4.373 4.550 -0.012 0.000 0.290 472 Y C 2.105 177.980 175.900 -0.042 0.000 1.137 472 Y CA 1.557 59.425 58.100 -0.386 0.000 1.163 472 Y CB -0.629 37.441 38.460 -0.649 0.000 0.988 472 Y HN 0.125 nan 8.280 nan 0.000 0.518 473 E N -0.060 120.064 120.200 -0.127 0.000 2.106 473 E HA -0.196 4.147 4.350 -0.013 0.000 0.192 473 E C 2.271 178.915 176.600 0.074 0.000 0.984 473 E CA 1.012 57.354 56.400 -0.096 0.000 0.806 473 E CB -0.226 29.476 29.700 0.003 0.000 0.750 473 E HN 0.441 nan 8.360 nan 0.000 0.458 474 L N 0.859 122.177 121.223 0.158 0.000 2.005 474 L HA -0.098 4.234 4.340 -0.013 0.000 0.207 474 L C 0.165 177.119 176.870 0.140 0.000 1.072 474 L CA 1.533 56.510 54.840 0.228 0.000 0.744 474 L CB 0.091 42.295 42.059 0.241 0.000 0.895 474 L HN 0.079 nan 8.230 nan 0.000 0.433 475 E N 0.023 120.298 120.200 0.125 0.000 2.914 475 E HA 0.174 4.517 4.350 -0.013 0.000 0.246 475 E C -2.000 174.537 176.600 -0.106 0.000 1.146 475 E CA -1.441 54.927 56.400 -0.053 0.000 0.803 475 E CB 0.987 30.620 29.700 -0.111 0.000 1.409 475 E HN 0.194 nan 8.360 nan 0.000 0.392 476 P HA -0.247 nan 4.420 nan 0.000 0.219 476 P C 1.159 178.563 177.300 0.173 0.000 1.146 476 P CA 1.369 64.387 63.100 -0.137 0.000 0.808 476 P CB -0.078 31.420 31.700 -0.337 0.000 0.779 477 H N 0.066 119.247 119.070 0.186 0.000 2.491 477 H HA 0.079 4.628 4.556 -0.013 0.000 0.290 477 H C 1.548 176.972 175.328 0.160 0.000 1.050 477 H CA 0.756 56.900 56.048 0.160 0.000 1.309 477 H CB -0.587 29.238 29.762 0.106 0.000 1.392 477 H HN 0.137 nan 8.280 nan 0.000 0.554 478 K N 0.458 120.789 120.400 -0.116 0.000 2.097 478 K HA 0.014 4.326 4.320 -0.013 0.000 0.205 478 K C -0.018 176.455 176.600 -0.212 0.000 1.050 478 K CA 0.413 56.604 56.287 -0.159 0.000 0.938 478 K CB 0.015 32.282 32.500 -0.388 0.000 0.718 478 K HN 0.098 nan 8.250 nan 0.000 0.442 479 F N 1.935 121.920 119.950 0.058 0.000 2.467 479 F HA 0.102 4.621 4.527 -0.013 0.000 0.362 479 F C 0.628 176.431 175.800 0.005 0.000 1.090 479 F CA -0.004 58.024 58.000 0.046 0.000 1.202 479 F CB 0.692 39.764 39.000 0.121 0.000 1.113 479 F HN -0.016 nan 8.300 nan 0.000 0.541 480 Q N 1.799 121.628 119.800 0.048 0.000 2.882 480 Q HA 0.426 4.759 4.340 -0.013 0.000 0.315 480 Q C -1.190 174.768 176.000 -0.071 0.000 1.004 480 Q CA -1.352 54.435 55.803 -0.027 0.000 0.777 480 Q CB 2.757 31.430 28.738 -0.108 0.000 1.506 480 Q HN 0.639 nan 8.270 nan 0.000 0.489 481 N N 0.161 118.796 118.700 -0.110 0.000 2.242 481 N HA 0.298 5.030 4.740 -0.013 0.000 0.292 481 N C -1.689 173.717 175.510 -0.174 0.000 1.125 481 N CA -0.417 52.566 53.050 -0.112 0.000 0.783 481 N CB 1.549 39.994 38.487 -0.070 0.000 1.558 481 N HN 0.316 nan 8.380 nan 0.000 0.472 482 K N 2.433 122.739 120.400 -0.157 0.000 2.790 482 K HA 0.179 4.492 4.320 -0.013 0.000 0.253 482 K C -1.101 175.505 176.600 0.010 0.000 1.082 482 K CA -0.461 55.708 56.287 -0.197 0.000 1.067 482 K CB 1.217 33.374 32.500 -0.573 0.000 1.284 482 K HN 0.574 nan 8.250 nan 0.000 0.529 483 T N 1.977 116.556 114.554 0.043 0.000 2.902 483 T HA 0.067 4.410 4.350 -0.013 0.000 0.301 483 T C 0.804 175.633 174.700 0.214 0.000 1.012 483 T CA 0.295 62.471 62.100 0.128 0.000 1.151 483 T CB 0.339 69.288 68.868 0.134 0.000 0.946 483 T HN 0.342 nan 8.240 nan 0.000 0.542 484 N N 0.568 119.413 118.700 0.241 0.000 2.297 484 N HA 0.415 5.148 4.740 -0.013 0.000 0.232 484 N C 0.500 176.195 175.510 0.307 0.000 1.311 484 N CA -0.215 53.010 53.050 0.292 0.000 0.897 484 N CB 0.396 38.995 38.487 0.188 0.000 1.137 484 N HN 0.768 nan 8.380 nan 0.000 0.449 485 G N -0.690 108.299 108.800 0.315 0.000 2.687 485 G HA2 0.622 4.574 3.960 -0.013 0.000 0.291 485 G HA3 0.622 4.574 3.960 -0.013 0.000 0.291 485 G C -1.455 173.581 174.900 0.227 0.000 1.420 485 G CA -0.737 44.536 45.100 0.289 0.000 0.796 485 G HN 0.597 nan 8.290 nan 0.000 0.485 486 I N -2.633 118.059 120.570 0.203 0.000 2.934 486 I HA 0.762 4.924 4.170 -0.013 0.000 0.306 486 I C -0.240 176.036 176.117 0.265 0.000 1.110 486 I CA -1.013 60.403 61.300 0.193 0.000 1.019 486 I CB 2.414 40.422 38.000 0.014 0.000 1.227 486 I HN 0.486 nan 8.210 nan 0.000 0.434 487 T N 3.671 118.440 114.554 0.358 0.000 2.761 487 T HA 0.382 4.725 4.350 -0.013 0.000 0.296 487 T C -1.437 173.379 174.700 0.194 0.000 0.934 487 T CA -1.712 60.519 62.100 0.219 0.000 1.091 487 T CB 0.786 69.728 68.868 0.124 0.000 0.896 487 T HN 0.613 nan 8.240 nan 0.000 0.515 488 P HA -0.026 nan 4.420 nan 0.000 0.222 488 P C 1.215 178.488 177.300 -0.044 0.000 1.147 488 P CA 0.566 63.704 63.100 0.062 0.000 0.790 488 P CB 0.350 32.067 31.700 0.029 0.000 0.780 489 R N 0.303 120.725 120.500 -0.131 0.000 2.070 489 R HA -0.036 4.296 4.340 -0.013 0.000 0.227 489 R C 2.736 178.920 176.300 -0.193 0.000 1.147 489 R CA 1.696 57.674 56.100 -0.204 0.000 0.924 489 R CB -1.208 28.971 30.300 -0.202 0.000 0.827 489 R HN 0.063 nan 8.270 nan 0.000 0.431 490 R N -0.714 119.617 120.500 -0.281 0.000 2.075 490 R HA -0.113 4.220 4.340 -0.013 0.000 0.232 490 R C 1.181 177.155 176.300 -0.543 0.000 1.126 490 R CA 1.610 57.400 56.100 -0.517 0.000 0.963 490 R CB -0.231 29.569 30.300 -0.832 0.000 0.858 490 R HN 0.306 nan 8.270 nan 0.000 0.435 491 W N 0.226 121.480 121.300 -0.075 0.000 3.377 491 W HA 0.122 4.774 4.660 -0.013 0.000 0.277 491 W C 0.913 177.399 176.519 -0.055 0.000 1.311 491 W CA -0.660 56.640 57.345 -0.075 0.000 1.703 491 W CB 0.326 29.747 29.460 -0.065 0.000 1.095 491 W HN 0.265 nan 8.180 nan 0.000 0.715 492 L N -2.587 118.692 121.223 0.093 0.000 2.208 492 L HA 0.144 4.477 4.340 -0.013 0.000 0.133 492 L C 1.734 178.619 176.870 0.025 0.000 1.385 492 L CA 0.624 55.513 54.840 0.082 0.000 1.030 492 L CB -0.858 41.272 42.059 0.118 0.000 2.075 492 L HN -0.277 nan 8.230 nan 0.000 0.482 493 V N 1.399 121.305 119.914 -0.014 0.000 2.324 493 V HA -0.285 3.828 4.120 -0.013 0.000 0.250 493 V C 2.426 178.491 176.094 -0.049 0.000 1.060 493 V CA 2.575 64.853 62.300 -0.035 0.000 1.042 493 V CB -0.708 31.059 31.823 -0.093 0.000 0.650 493 V HN 0.521 nan 8.190 nan 0.000 0.450 494 L N 0.402 121.569 121.223 -0.093 0.000 2.007 494 L HA -0.164 4.169 4.340 -0.013 0.000 0.205 494 L C 2.540 179.350 176.870 -0.099 0.000 1.073 494 L CA 2.280 57.050 54.840 -0.116 0.000 0.744 494 L CB -0.280 41.661 42.059 -0.197 0.000 0.898 494 L HN 0.638 nan 8.230 nan 0.000 0.435 495 C N -1.512 117.724 119.300 -0.107 0.000 2.514 495 C HA 0.159 4.611 4.460 -0.013 0.000 0.271 495 C C 1.179 176.155 174.990 -0.024 0.000 1.399 495 C CA -0.240 58.735 59.018 -0.071 0.000 1.765 495 C CB -1.126 26.576 27.740 -0.063 0.000 1.893 495 C HN 0.589 nan 8.230 nan 0.000 0.531 496 N N 1.067 119.762 118.700 -0.007 0.000 2.733 496 N HA 0.288 5.021 4.740 -0.013 0.000 0.271 496 N C -1.806 173.716 175.510 0.019 0.000 1.720 496 N CA -1.575 51.482 53.050 0.011 0.000 0.803 496 N CB 0.804 39.305 38.487 0.024 0.000 1.208 496 N HN 0.237 nan 8.380 nan 0.000 0.498 497 P HA -0.035 nan 4.420 nan 0.000 0.218 497 P C 1.400 178.716 177.300 0.026 0.000 1.149 497 P CA 0.873 63.984 63.100 0.018 0.000 0.817 497 P CB 0.256 31.960 31.700 0.007 0.000 0.785 498 G N 0.698 109.509 108.800 0.018 0.000 2.446 498 G HA2 -0.252 3.700 3.960 -0.013 0.000 0.217 498 G HA3 -0.252 3.700 3.960 -0.013 0.000 0.217 498 G C 1.519 176.427 174.900 0.013 0.000 1.168 498 G CA 0.741 45.849 45.100 0.012 0.000 0.771 498 G HN 0.260 nan 8.290 nan 0.000 0.551 499 L N 1.216 122.449 121.223 0.016 0.000 2.072 499 L HA 0.283 4.615 4.340 -0.013 0.000 0.205 499 L C 3.040 179.941 176.870 0.052 0.000 1.079 499 L CA 2.006 56.853 54.840 0.012 0.000 0.752 499 L CB -0.709 41.358 42.059 0.014 0.000 0.906 499 L HN 0.222 nan 8.230 nan 0.000 0.436 500 A N -0.700 122.173 122.820 0.088 0.000 1.933 500 A HA -0.245 4.068 4.320 -0.013 0.000 0.218 500 A C 2.216 179.898 177.584 0.162 0.000 1.175 500 A CA 1.729 53.870 52.037 0.173 0.000 0.628 500 A CB -0.674 18.420 19.000 0.156 0.000 0.814 500 A HN 0.555 nan 8.150 nan 0.000 0.444 501 E N 0.934 121.190 120.200 0.094 0.000 2.017 501 E HA -0.193 4.149 4.350 -0.013 0.000 0.193 501 E C 1.878 178.523 176.600 0.076 0.000 0.997 501 E CA 1.803 58.250 56.400 0.077 0.000 0.804 501 E CB -0.564 29.163 29.700 0.044 0.000 0.757 501 E HN 0.728 nan 8.360 nan 0.000 0.448 502 I N -1.543 119.064 120.570 0.062 0.000 2.361 502 I HA -0.184 3.979 4.170 -0.013 0.000 0.251 502 I C 2.228 178.431 176.117 0.144 0.000 1.133 502 I CA 1.292 62.643 61.300 0.086 0.000 1.413 502 I CB -0.402 37.621 38.000 0.037 0.000 1.073 502 I HN 0.056 nan 8.210 nan 0.000 0.424 503 I N 1.959 122.592 120.570 0.105 0.000 2.202 503 I HA -0.193 3.970 4.170 -0.013 0.000 0.242 503 I C 3.025 179.115 176.117 -0.045 0.000 1.091 503 I CA 1.357 62.657 61.300 -0.001 0.000 1.368 503 I CB -0.418 37.465 38.000 -0.196 0.000 1.058 503 I HN 0.299 nan 8.210 nan 0.000 0.410 504 A N 0.225 123.106 122.820 0.103 0.000 1.972 504 A HA -0.239 4.073 4.320 -0.013 0.000 0.219 504 A C 2.157 179.776 177.584 0.059 0.000 1.169 504 A CA 1.663 53.801 52.037 0.168 0.000 0.635 504 A CB -0.594 18.530 19.000 0.206 0.000 0.810 504 A HN 0.441 nan 8.150 nan 0.000 0.446 505 E N -0.734 119.484 120.200 0.030 0.000 2.153 505 E HA -0.187 4.156 4.350 -0.013 0.000 0.194 505 E C 2.258 178.825 176.600 -0.056 0.000 0.988 505 E CA 1.143 57.544 56.400 0.002 0.000 0.811 505 E CB -0.007 29.702 29.700 0.015 0.000 0.746 505 E HN 0.531 nan 8.360 nan 0.000 0.466 506 R N -0.002 120.405 120.500 -0.154 0.000 2.103 506 R HA 0.087 4.419 4.340 -0.013 0.000 0.212 506 R C 2.302 178.495 176.300 -0.179 0.000 1.107 506 R CA 0.834 56.750 56.100 -0.306 0.000 1.025 506 R CB -0.290 29.491 30.300 -0.865 0.000 0.929 506 R HN 0.273 nan 8.270 nan 0.000 0.456 507 I N -2.295 118.186 120.570 -0.149 0.000 4.025 507 I HA 0.445 4.608 4.170 -0.013 0.000 0.336 507 I C 0.480 176.631 176.117 0.056 0.000 1.390 507 I CA 0.096 61.371 61.300 -0.041 0.000 1.099 507 I CB 0.872 38.827 38.000 -0.075 0.000 1.049 507 I HN 0.227 nan 8.210 nan 0.000 0.394 508 G N 1.802 110.651 108.800 0.081 0.000 2.660 508 G HA2 -0.206 3.747 3.960 -0.013 0.000 0.247 508 G HA3 -0.206 3.747 3.960 -0.013 0.000 0.247 508 G C -0.027 175.013 174.900 0.235 0.000 1.328 508 G CA 0.163 45.339 45.100 0.125 0.000 0.884 508 G HN 0.405 nan 8.290 nan 0.000 0.531 509 E N -0.512 119.770 120.200 0.136 0.000 2.473 509 E HA 0.088 4.430 4.350 -0.013 0.000 0.204 509 E C 1.818 178.373 176.600 -0.074 0.000 0.994 509 E CA -0.038 56.375 56.400 0.021 0.000 0.945 509 E CB 0.279 29.984 29.700 0.008 0.000 0.990 509 E HN 0.461 nan 8.360 nan 0.000 0.493 510 E N 0.602 120.830 120.200 0.047 0.000 2.396 510 E HA -0.178 4.165 4.350 -0.013 0.000 0.200 510 E C 1.522 178.138 176.600 0.026 0.000 1.023 510 E CA 0.776 57.197 56.400 0.035 0.000 0.857 510 E CB 0.030 29.768 29.700 0.064 0.000 0.775 510 E HN 0.513 nan 8.360 nan 0.000 0.525 511 Y N -1.245 119.062 120.300 0.012 0.000 2.509 511 Y HA -0.040 4.503 4.550 -0.011 0.000 0.293 511 Y C 1.841 177.723 175.900 -0.031 0.000 1.133 511 Y CA 0.300 58.399 58.100 -0.002 0.000 1.283 511 Y CB -0.336 38.125 38.460 0.002 0.000 1.001 511 Y HN -0.096 nan 8.280 nan 0.000 0.555 512 I N 1.220 121.369 120.570 -0.702 0.000 2.454 512 I HA -0.207 3.955 4.170 -0.013 0.000 0.254 512 I C 1.559 177.455 176.117 -0.367 0.000 1.156 512 I CA 1.729 62.652 61.300 -0.628 0.000 1.433 512 I CB -1.332 36.193 38.000 -0.792 0.000 1.082 512 I HN 0.516 nan 8.210 nan 0.000 0.432 513 S N -1.574 114.014 115.700 -0.188 0.000 2.650 513 S HA 0.201 4.663 4.470 -0.013 0.000 0.240 513 S C 0.272 174.868 174.600 -0.007 0.000 1.007 513 S CA -0.416 57.743 58.200 -0.067 0.000 0.984 513 S CB 0.449 63.679 63.200 0.049 0.000 0.910 513 S HN 0.289 nan 8.310 nan 0.000 0.509 514 D N 0.951 121.355 120.400 0.006 0.000 2.978 514 D HA 0.236 4.869 4.640 -0.013 0.000 0.268 514 D C 0.663 177.015 176.300 0.086 0.000 1.252 514 D CA -0.332 53.694 54.000 0.043 0.000 0.771 514 D CB -0.065 40.765 40.800 0.049 0.000 1.361 514 D HN 0.105 nan 8.370 nan 0.000 0.558 515 L N 0.438 121.712 121.223 0.085 0.000 2.263 515 L HA -0.137 4.196 4.340 -0.013 0.000 0.216 515 L C 1.117 178.040 176.870 0.089 0.000 1.111 515 L CA 1.183 56.100 54.840 0.127 0.000 0.773 515 L CB 0.074 42.196 42.059 0.105 0.000 0.906 515 L HN 0.299 nan 8.230 nan 0.000 0.439 516 D N -0.315 120.115 120.400 0.050 0.000 2.178 516 D HA -0.214 4.419 4.640 -0.013 0.000 0.201 516 D C 2.000 178.319 176.300 0.033 0.000 0.980 516 D CA 0.913 54.927 54.000 0.022 0.000 0.842 516 D CB -0.011 40.792 40.800 0.004 0.000 0.948 516 D HN 0.484 nan 8.370 nan 0.000 0.472 517 Q N -0.158 119.678 119.800 0.060 0.000 2.443 517 Q HA -0.125 4.208 4.340 -0.013 0.000 0.213 517 Q C 1.728 177.739 176.000 0.019 0.000 0.982 517 Q CA 0.146 55.984 55.803 0.057 0.000 0.894 517 Q CB 0.051 28.853 28.738 0.107 0.000 0.947 517 Q HN 0.183 nan 8.270 nan 0.000 0.480 518 L N 0.543 121.770 121.223 0.006 0.000 2.275 518 L HA -0.145 4.187 4.340 -0.013 0.000 0.215 518 L C 2.031 178.890 176.870 -0.018 0.000 1.119 518 L CA 1.445 56.254 54.840 -0.052 0.000 0.790 518 L CB -0.434 41.609 42.059 -0.026 0.000 0.919 518 L HN 0.129 nan 8.230 nan 0.000 0.443 519 R N -0.431 120.070 120.500 0.003 0.000 2.127 519 R HA -0.178 4.154 4.340 -0.013 0.000 0.238 519 R C 1.928 178.233 176.300 0.010 0.000 1.134 519 R CA 1.036 57.140 56.100 0.008 0.000 0.975 519 R CB -0.202 30.100 30.300 0.003 0.000 0.865 519 R HN 0.410 nan 8.270 nan 0.000 0.447 520 K N 0.570 120.976 120.400 0.010 0.000 2.360 520 K HA -0.090 4.223 4.320 -0.013 0.000 0.201 520 K C 1.832 178.480 176.600 0.080 0.000 1.046 520 K CA 0.690 56.995 56.287 0.030 0.000 0.945 520 K CB -0.036 32.486 32.500 0.038 0.000 0.750 520 K HN 0.244 nan 8.250 nan 0.000 0.464 521 L N 0.563 121.812 121.223 0.043 0.000 2.465 521 L HA -0.113 4.219 4.340 -0.013 0.000 0.224 521 L C 1.852 178.787 176.870 0.109 0.000 1.145 521 L CA 0.053 54.928 54.840 0.059 0.000 0.834 521 L CB -0.153 41.905 42.059 -0.003 0.000 0.944 521 L HN 0.145 nan 8.230 nan 0.000 0.451 522 L N 0.084 121.341 121.223 0.056 0.000 2.131 522 L HA -0.190 4.142 4.340 -0.013 0.000 0.210 522 L C 2.711 179.571 176.870 -0.017 0.000 1.092 522 L CA 2.009 56.866 54.840 0.029 0.000 0.759 522 L CB -0.864 41.198 42.059 0.006 0.000 0.903 522 L HN 0.335 nan 8.230 nan 0.000 0.435 523 S N -2.628 113.016 115.700 -0.093 0.000 2.607 523 S HA -0.084 4.378 4.470 -0.013 0.000 0.224 523 S C 1.191 175.522 174.600 -0.449 0.000 0.969 523 S CA 0.275 58.314 58.200 -0.268 0.000 0.927 523 S CB -0.536 62.447 63.200 -0.361 0.000 0.772 523 S HN 0.480 nan 8.310 nan 0.000 0.533 524 Y N -0.523 119.700 120.300 -0.129 0.000 2.557 524 Y HA 0.431 4.979 4.550 -0.004 0.000 0.247 524 Y C 1.872 177.784 175.900 0.020 0.000 1.164 524 Y CA -0.544 57.468 58.100 -0.146 0.000 1.218 524 Y CB 0.240 38.400 38.460 -0.501 0.000 1.210 524 Y HN 0.257 nan 8.280 nan 0.000 0.529 525 V N 0.437 120.428 119.914 0.129 0.000 2.867 525 V HA -0.215 3.897 4.120 -0.013 0.000 0.260 525 V C 0.881 177.040 176.094 0.109 0.000 1.099 525 V CA 2.233 64.616 62.300 0.138 0.000 1.122 525 V CB -0.028 31.840 31.823 0.075 0.000 0.708 525 V HN 0.371 nan 8.190 nan 0.000 0.490 526 D N -1.005 119.439 120.400 0.074 0.000 2.469 526 D HA 0.120 4.752 4.640 -0.013 0.000 0.213 526 D C 0.316 176.661 176.300 0.074 0.000 1.135 526 D CA -0.089 53.944 54.000 0.056 0.000 0.834 526 D CB 0.175 40.985 40.800 0.016 0.000 1.009 526 D HN 0.423 nan 8.370 nan 0.000 0.507 527 D N 1.611 122.086 120.400 0.125 0.000 2.371 527 D HA -0.044 4.589 4.640 -0.013 0.000 0.256 527 D C 1.235 177.638 176.300 0.171 0.000 1.193 527 D CA 0.102 54.198 54.000 0.160 0.000 0.881 527 D CB 1.562 42.525 40.800 0.271 0.000 1.143 527 D HN -0.230 nan 8.370 nan 0.000 0.473 528 E N 3.339 123.608 120.200 0.116 0.000 2.077 528 E HA -0.120 4.222 4.350 -0.013 0.000 0.193 528 E C 1.677 178.336 176.600 0.099 0.000 0.989 528 E CA 1.325 57.779 56.400 0.091 0.000 0.800 528 E CB -0.209 29.527 29.700 0.060 0.000 0.746 528 E HN 0.601 nan 8.360 nan 0.000 0.452 529 A N -0.319 122.574 122.820 0.122 0.000 1.873 529 A HA -0.123 4.189 4.320 -0.013 0.000 0.215 529 A C 2.291 179.964 177.584 0.149 0.000 1.186 529 A CA 1.203 53.309 52.037 0.114 0.000 0.616 529 A CB -0.988 18.082 19.000 0.116 0.000 0.823 529 A HN 0.376 nan 8.150 nan 0.000 0.442 530 F N 0.427 120.398 119.950 0.035 0.000 2.069 530 F HA -0.212 4.309 4.527 -0.010 0.000 0.298 530 F C 2.101 177.913 175.800 0.019 0.000 1.113 530 F CA 1.834 59.843 58.000 0.015 0.000 1.214 530 F CB -0.151 38.872 39.000 0.040 0.000 0.978 530 F HN 0.169 nan 8.300 nan 0.000 0.474 531 I N 0.085 120.711 120.570 0.094 0.000 2.194 531 I HA -0.372 3.790 4.170 -0.013 0.000 0.246 531 I C 2.550 178.630 176.117 -0.063 0.000 1.093 531 I CA 1.724 63.021 61.300 -0.006 0.000 1.355 531 I CB -0.490 37.545 38.000 0.059 0.000 1.046 531 I HN 0.104 nan 8.210 nan 0.000 0.413 532 R N 0.804 121.288 120.500 -0.027 0.000 2.081 532 R HA -0.191 4.141 4.340 -0.013 0.000 0.235 532 R C 1.887 178.142 176.300 -0.075 0.000 1.131 532 R CA 1.896 57.975 56.100 -0.035 0.000 0.960 532 R CB -0.127 30.169 30.300 -0.006 0.000 0.856 532 R HN 0.290 nan 8.270 nan 0.000 0.436 533 D N -0.362 119.971 120.400 -0.111 0.000 2.084 533 D HA -0.121 4.512 4.640 -0.013 0.000 0.196 533 D C 1.960 178.127 176.300 -0.222 0.000 0.985 533 D CA 1.355 55.266 54.000 -0.148 0.000 0.826 533 D CB -0.344 40.370 40.800 -0.145 0.000 0.978 533 D HN 0.056 nan 8.370 nan 0.000 0.456 534 V N 1.499 121.179 119.914 -0.390 0.000 2.324 534 V HA -0.286 3.827 4.120 -0.013 0.000 0.250 534 V C 2.459 178.458 176.094 -0.158 0.000 1.060 534 V CA 2.006 64.096 62.300 -0.350 0.000 1.042 534 V CB -0.779 30.782 31.823 -0.437 0.000 0.650 534 V HN 0.208 nan 8.190 nan 0.000 0.450 535 A N -0.890 121.860 122.820 -0.118 0.000 1.969 535 A HA -0.203 4.109 4.320 -0.013 0.000 0.218 535 A C 2.347 179.897 177.584 -0.057 0.000 1.169 535 A CA 1.869 53.872 52.037 -0.057 0.000 0.635 535 A CB -0.382 18.591 19.000 -0.046 0.000 0.810 535 A HN 0.534 nan 8.150 nan 0.000 0.445 536 K N 0.222 120.582 120.400 -0.067 0.000 2.007 536 K HA -0.102 4.210 4.320 -0.013 0.000 0.206 536 K C 2.022 178.597 176.600 -0.042 0.000 1.047 536 K CA 1.700 57.956 56.287 -0.050 0.000 0.937 536 K CB -0.375 32.098 32.500 -0.046 0.000 0.718 536 K HN 0.398 nan 8.250 nan 0.000 0.438 537 V N 0.141 120.025 119.914 -0.051 0.000 2.332 537 V HA -0.221 3.891 4.120 -0.013 0.000 0.248 537 V C 2.221 178.304 176.094 -0.019 0.000 1.055 537 V CA 2.177 64.458 62.300 -0.033 0.000 1.038 537 V CB -0.743 31.056 31.823 -0.040 0.000 0.651 537 V HN 0.228 nan 8.190 nan 0.000 0.450 538 K N 0.640 121.026 120.400 -0.022 0.000 2.147 538 K HA -0.205 4.108 4.320 -0.013 0.000 0.205 538 K C 2.246 178.830 176.600 -0.026 0.000 1.049 538 K CA 2.106 58.389 56.287 -0.006 0.000 0.936 538 K CB -0.593 31.917 32.500 0.017 0.000 0.722 538 K HN 0.594 nan 8.250 nan 0.000 0.446 539 Q N 0.902 120.679 119.800 -0.037 0.000 2.123 539 Q HA -0.043 4.290 4.340 -0.013 0.000 0.199 539 Q C 1.610 177.595 176.000 -0.025 0.000 0.966 539 Q CA 1.768 57.539 55.803 -0.052 0.000 0.845 539 Q CB -0.018 28.690 28.738 -0.049 0.000 0.907 539 Q HN 0.509 nan 8.270 nan 0.000 0.439 540 E N -0.482 119.714 120.200 -0.007 0.000 2.072 540 E HA -0.145 4.198 4.350 -0.013 0.000 0.191 540 E C 1.689 178.313 176.600 0.040 0.000 0.985 540 E CA 0.952 57.361 56.400 0.015 0.000 0.801 540 E CB 0.003 29.710 29.700 0.011 0.000 0.750 540 E HN 0.378 nan 8.360 nan 0.000 0.452 541 N N 0.950 119.672 118.700 0.037 0.000 2.120 541 N HA -0.148 4.584 4.740 -0.013 0.000 0.188 541 N C 1.484 177.071 175.510 0.129 0.000 1.024 541 N CA 1.121 54.212 53.050 0.069 0.000 0.852 541 N CB -0.107 38.407 38.487 0.045 0.000 1.003 541 N HN 0.114 nan 8.380 nan 0.000 0.424 542 K N 0.465 120.909 120.400 0.075 0.000 2.097 542 K HA -0.002 4.311 4.320 -0.013 0.000 0.206 542 K C 2.072 178.786 176.600 0.191 0.000 1.049 542 K CA 0.633 56.980 56.287 0.101 0.000 0.933 542 K CB -0.145 32.174 32.500 -0.301 0.000 0.717 542 K HN 0.123 nan 8.250 nan 0.000 0.442 543 L N 1.047 122.331 121.223 0.101 0.000 2.056 543 L HA -0.161 4.171 4.340 -0.013 0.000 0.207 543 L C 2.586 179.543 176.870 0.145 0.000 1.078 543 L CA 1.147 56.050 54.840 0.105 0.000 0.749 543 L CB -0.244 41.851 42.059 0.061 0.000 0.901 543 L HN 0.094 nan 8.230 nan 0.000 0.433 544 K N -0.476 120.019 120.400 0.157 0.000 2.097 544 K HA -0.183 4.130 4.320 -0.013 0.000 0.205 544 K C 2.155 178.900 176.600 0.242 0.000 1.050 544 K CA 1.427 57.816 56.287 0.170 0.000 0.938 544 K CB -0.148 32.441 32.500 0.148 0.000 0.718 544 K HN 0.125 nan 8.250 nan 0.000 0.442 545 F N 1.337 121.374 119.950 0.145 0.000 2.163 545 F HA -0.046 4.473 4.527 -0.012 0.000 0.297 545 F C 2.069 177.996 175.800 0.212 0.000 1.094 545 F CA 1.073 59.169 58.000 0.160 0.000 1.290 545 F CB -0.412 38.678 39.000 0.150 0.000 1.017 545 F HN -0.009 nan 8.300 nan 0.000 0.483 546 A N 0.199 123.139 122.820 0.199 0.000 1.978 546 A HA -0.061 4.251 4.320 -0.013 0.000 0.220 546 A C 2.382 179.967 177.584 0.001 0.000 1.170 546 A CA 1.778 53.859 52.037 0.073 0.000 0.636 546 A CB -1.418 17.683 19.000 0.170 0.000 0.810 546 A HN 0.461 nan 8.150 nan 0.000 0.448 547 A N -1.229 121.627 122.820 0.060 0.000 1.854 547 A HA -0.024 4.288 4.320 -0.013 0.000 0.214 547 A C 2.113 179.719 177.584 0.037 0.000 1.192 547 A CA 1.495 53.567 52.037 0.058 0.000 0.611 547 A CB -0.987 18.064 19.000 0.085 0.000 0.832 547 A HN 0.775 nan 8.150 nan 0.000 0.442 548 Y N 0.288 120.538 120.300 -0.085 0.000 2.139 548 Y HA -0.261 4.282 4.550 -0.012 0.000 0.282 548 Y C 1.901 177.720 175.900 -0.135 0.000 1.179 548 Y CA 1.874 59.916 58.100 -0.096 0.000 1.161 548 Y CB -0.460 37.951 38.460 -0.081 0.000 0.970 548 Y HN 0.192 nan 8.280 nan 0.000 0.511 549 L N 0.947 122.135 121.223 -0.057 0.000 1.990 549 L HA -0.250 4.082 4.340 -0.013 0.000 0.213 549 L C 2.419 179.251 176.870 -0.064 0.000 1.072 549 L CA 2.238 57.025 54.840 -0.090 0.000 0.755 549 L CB -1.152 40.775 42.059 -0.221 0.000 0.889 549 L HN 0.373 nan 8.230 nan 0.000 0.432 550 E N -1.634 118.533 120.200 -0.056 0.000 2.152 550 E HA -0.161 4.181 4.350 -0.013 0.000 0.192 550 E C 2.281 178.836 176.600 -0.074 0.000 0.983 550 E CA 0.436 56.824 56.400 -0.020 0.000 0.818 550 E CB 0.080 29.802 29.700 0.037 0.000 0.758 550 E HN 0.360 nan 8.360 nan 0.000 0.467 551 R N 0.691 121.112 120.500 -0.131 0.000 2.092 551 R HA -0.160 4.172 4.340 -0.013 0.000 0.226 551 R C 2.059 178.195 176.300 -0.274 0.000 1.140 551 R CA 1.688 57.682 56.100 -0.176 0.000 0.910 551 R CB -0.073 30.110 30.300 -0.194 0.000 0.822 551 R HN -0.013 nan 8.270 nan 0.000 0.433 552 E N -1.583 118.316 120.200 -0.502 0.000 2.299 552 E HA -0.076 4.267 4.350 -0.013 0.000 0.193 552 E C 0.842 177.004 176.600 -0.729 0.000 0.998 552 E CA 0.882 56.869 56.400 -0.689 0.000 0.851 552 E CB 0.366 29.419 29.700 -1.078 0.000 0.795 552 E HN 0.386 nan 8.360 nan 0.000 0.492 553 Y N -0.243 119.933 120.300 -0.207 0.000 2.452 553 Y HA 0.280 4.822 4.550 -0.013 0.000 0.262 553 Y C -0.342 175.527 175.900 -0.052 0.000 1.089 553 Y CA -0.435 57.610 58.100 -0.092 0.000 1.262 553 Y CB 0.829 39.255 38.460 -0.056 0.000 1.236 553 Y HN -0.338 nan 8.280 nan 0.000 0.512 554 K N 1.012 121.446 120.400 0.056 0.000 5.910 554 K HA -0.074 4.238 4.320 -0.013 0.000 0.496 554 K C -0.649 175.991 176.600 0.066 0.000 1.222 554 K CA 0.913 57.228 56.287 0.045 0.000 1.422 554 K CB -1.717 30.797 32.500 0.023 0.000 1.780 554 K HN 0.445 nan 8.250 nan 0.000 0.384 555 V N -2.822 117.136 119.914 0.074 0.000 5.849 555 V HA 0.017 4.130 4.120 -0.013 0.000 0.732 555 V C -0.115 176.057 176.094 0.130 0.000 2.085 555 V CA -0.090 62.267 62.300 0.095 0.000 3.844 555 V CB -1.038 30.837 31.823 0.087 0.000 0.124 555 V HN 0.937 nan 8.190 nan 0.000 0.581 556 H N 0.917 119.994 119.070 0.013 0.000 2.991 556 H HA -0.093 4.455 4.556 -0.013 0.000 0.255 556 H C -0.252 175.083 175.328 0.012 0.000 0.700 556 H CA 1.913 57.971 56.048 0.015 0.000 0.964 556 H CB 0.099 29.875 29.762 0.023 0.000 1.230 556 H HN 1.297 nan 8.280 nan 0.000 0.450 557 I N 0.086 120.314 120.570 -0.569 0.000 3.191 557 I HA 0.446 4.608 4.170 -0.013 0.000 0.313 557 I C -0.621 175.252 176.117 -0.407 0.000 1.193 557 I CA -1.304 59.806 61.300 -0.315 0.000 0.968 557 I CB 2.216 40.117 38.000 -0.166 0.000 1.262 557 I HN 0.608 nan 8.210 nan 0.000 0.456 558 N N 2.775 121.437 118.700 -0.064 0.000 2.469 558 N HA 0.515 5.248 4.740 -0.013 0.000 0.253 558 N C -2.250 173.342 175.510 0.137 0.000 0.970 558 N CA -2.538 50.530 53.050 0.031 0.000 0.940 558 N CB 1.655 40.187 38.487 0.075 0.000 1.128 558 N HN 0.327 nan 8.380 nan 0.000 0.503 559 P HA 0.046 nan 4.420 nan 0.000 0.234 559 P C -0.048 177.172 177.300 -0.134 0.000 1.167 559 P CA 0.979 64.068 63.100 -0.018 0.000 0.763 559 P CB 0.191 31.896 31.700 0.008 0.000 0.835 560 N N -1.174 117.506 118.700 -0.034 0.000 2.392 560 N HA -0.005 4.727 4.740 -0.013 0.000 0.177 560 N C 0.664 176.174 175.510 0.001 0.000 1.066 560 N CA -0.059 52.975 53.050 -0.026 0.000 0.895 560 N CB 0.057 38.555 38.487 0.018 0.000 0.988 560 N HN 0.136 nan 8.380 nan 0.000 0.457 561 S N 0.371 116.075 115.700 0.008 0.000 2.617 561 S HA 0.136 4.598 4.470 -0.013 0.000 0.259 561 S C 0.099 174.626 174.600 -0.122 0.000 1.301 561 S CA -0.769 57.430 58.200 -0.002 0.000 0.984 561 S CB 0.788 64.019 63.200 0.053 0.000 0.954 561 S HN 0.163 nan 8.310 nan 0.000 0.572 562 L N 1.382 122.411 121.223 -0.323 0.000 2.319 562 L HA 0.382 4.715 4.340 -0.013 0.000 0.280 562 L C -0.886 175.943 176.870 -0.068 0.000 1.099 562 L CA -0.559 53.901 54.840 -0.633 0.000 0.828 562 L CB -0.076 41.377 42.059 -1.010 0.000 1.150 562 L HN 0.703 nan 8.230 nan 0.000 0.442 563 F N 4.142 123.948 119.950 -0.239 0.000 2.423 563 F HA 0.092 4.613 4.527 -0.011 0.000 0.356 563 F C 0.427 176.151 175.800 -0.127 0.000 1.170 563 F CA -0.824 57.103 58.000 -0.121 0.000 1.163 563 F CB 0.563 39.539 39.000 -0.039 0.000 1.318 563 F HN 0.513 nan 8.300 nan 0.000 0.569 564 D N 4.897 125.293 120.400 -0.006 0.000 2.428 564 D HA 0.207 4.840 4.640 -0.013 0.000 0.221 564 D C -0.964 175.269 176.300 -0.112 0.000 1.123 564 D CA 0.039 53.989 54.000 -0.084 0.000 0.869 564 D CB 1.233 41.972 40.800 -0.102 0.000 1.032 564 D HN 0.257 nan 8.370 nan 0.000 0.506 565 V N 2.857 122.691 119.914 -0.133 0.000 2.680 565 V HA 0.567 4.679 4.120 -0.013 0.000 0.309 565 V C -1.349 174.604 176.094 -0.235 0.000 1.052 565 V CA -0.693 61.513 62.300 -0.156 0.000 0.908 565 V CB 1.940 33.717 31.823 -0.077 0.000 1.001 565 V HN 0.500 nan 8.190 nan 0.000 0.431 566 Q N 4.432 124.104 119.800 -0.214 0.000 2.394 566 Q HA 0.661 4.994 4.340 -0.013 0.000 0.261 566 Q C -1.519 174.318 176.000 -0.272 0.000 1.023 566 Q CA -0.647 55.017 55.803 -0.232 0.000 0.720 566 Q CB 1.888 30.516 28.738 -0.184 0.000 1.241 566 Q HN 1.167 nan 8.270 nan 0.000 0.483 567 V N 2.236 121.974 119.914 -0.294 0.000 2.443 567 V HA 0.843 4.956 4.120 -0.013 0.000 0.293 567 V C -0.875 174.936 176.094 -0.472 0.000 1.021 567 V CA -0.563 61.371 62.300 -0.612 0.000 0.848 567 V CB 1.228 32.426 31.823 -1.042 0.000 0.998 567 V HN 0.797 nan 8.190 nan 0.000 0.424 568 K N 2.844 123.039 120.400 -0.342 0.000 2.809 568 K HA 0.457 4.770 4.320 -0.013 0.000 0.293 568 K C -1.252 175.361 176.600 0.022 0.000 1.061 568 K CA -1.047 55.218 56.287 -0.037 0.000 0.837 568 K CB 1.101 33.568 32.500 -0.056 0.000 1.524 568 K HN 0.464 nan 8.250 nan 0.000 0.370 569 R N 0.790 121.352 120.500 0.103 0.000 2.698 569 R HA 0.188 4.521 4.340 -0.013 0.000 0.266 569 R C 0.388 176.721 176.300 0.055 0.000 1.026 569 R CA -0.341 55.832 56.100 0.122 0.000 1.102 569 R CB -0.166 30.243 30.300 0.182 0.000 0.978 569 R HN 0.472 nan 8.270 nan 0.000 0.436 570 I N 4.055 124.653 120.570 0.047 0.000 2.452 570 I HA 0.099 4.262 4.170 -0.013 0.000 0.287 570 I C 0.826 176.896 176.117 -0.078 0.000 1.079 570 I CA 0.593 61.870 61.300 -0.039 0.000 1.387 570 I CB -0.219 37.744 38.000 -0.062 0.000 1.404 570 I HN 0.302 nan 8.210 nan 0.000 0.522 571 H N 4.384 123.350 119.070 -0.173 0.000 3.016 571 H HA 0.273 4.821 4.556 -0.012 0.000 0.362 571 H C 0.294 175.506 175.328 -0.193 0.000 1.233 571 H CA -0.436 55.545 56.048 -0.112 0.000 1.124 571 H CB 2.202 31.818 29.762 -0.244 0.000 1.850 571 H HN 0.536 nan 8.280 nan 0.000 0.549 572 E N 1.035 121.328 120.200 0.154 0.000 2.158 572 E HA -0.150 4.192 4.350 -0.013 0.000 0.191 572 E C 1.371 177.740 176.600 -0.385 0.000 0.982 572 E CA 0.967 57.381 56.400 0.023 0.000 0.823 572 E CB 0.109 30.017 29.700 0.347 0.000 0.766 572 E HN 0.521 nan 8.360 nan 0.000 0.468 573 Y N 0.785 120.571 120.300 -0.856 0.000 2.373 573 Y HA 0.031 4.574 4.550 -0.013 0.000 0.293 573 Y C 1.568 177.201 175.900 -0.444 0.000 1.129 573 Y CA 0.623 58.036 58.100 -1.144 0.000 1.226 573 Y CB 0.031 37.836 38.460 -1.092 0.000 1.000 573 Y HN -0.224 nan 8.280 nan 0.000 0.549 574 K N 1.046 120.971 120.400 -0.791 0.000 2.365 574 K HA -0.018 4.295 4.320 -0.013 0.000 0.199 574 K C 0.257 176.680 176.600 -0.294 0.000 1.045 574 K CA 0.815 56.754 56.287 -0.582 0.000 0.962 574 K CB -0.212 31.964 32.500 -0.539 0.000 0.759 574 K HN 0.415 nan 8.250 nan 0.000 0.469 575 R N 0.720 121.080 120.500 -0.233 0.000 3.336 575 R HA -0.184 4.149 4.340 -0.013 0.000 0.260 575 R C 0.603 176.825 176.300 -0.130 0.000 1.032 575 R CA 0.220 56.236 56.100 -0.140 0.000 0.693 575 R CB -1.934 28.298 30.300 -0.113 0.000 1.134 575 R HN 0.218 nan 8.270 nan 0.000 0.433 576 Q N 0.158 119.881 119.800 -0.128 0.000 2.291 576 Q HA -0.028 4.304 4.340 -0.013 0.000 0.206 576 Q C 1.814 177.766 176.000 -0.081 0.000 0.976 576 Q CA 1.306 57.046 55.803 -0.105 0.000 0.875 576 Q CB 0.073 28.753 28.738 -0.097 0.000 0.927 576 Q HN 0.599 nan 8.270 nan 0.000 0.450 577 L N -0.629 120.549 121.223 -0.074 0.000 2.093 577 L HA -0.169 4.163 4.340 -0.013 0.000 0.208 577 L C 1.944 178.813 176.870 -0.002 0.000 1.085 577 L CA 0.522 55.333 54.840 -0.048 0.000 0.755 577 L CB -0.281 41.759 42.059 -0.032 0.000 0.904 577 L HN 0.316 nan 8.230 nan 0.000 0.435 578 L N -0.119 121.093 121.223 -0.019 0.000 2.093 578 L HA -0.208 4.125 4.340 -0.013 0.000 0.208 578 L C 1.969 178.867 176.870 0.045 0.000 1.085 578 L CA 1.818 56.655 54.840 -0.006 0.000 0.755 578 L CB -0.807 41.148 42.059 -0.173 0.000 0.904 578 L HN 0.273 nan 8.230 nan 0.000 0.435 579 N N -1.873 116.827 118.700 0.001 0.000 2.188 579 N HA -0.213 4.519 4.740 -0.013 0.000 0.184 579 N C 1.934 177.524 175.510 0.134 0.000 1.018 579 N CA 1.336 54.462 53.050 0.125 0.000 0.858 579 N CB -0.098 38.404 38.487 0.023 0.000 0.989 579 N HN 0.473 nan 8.380 nan 0.000 0.426 580 C N 0.528 119.849 119.300 0.034 0.000 2.432 580 C HA -0.049 4.403 4.460 -0.013 0.000 0.277 580 C C 2.574 177.573 174.990 0.016 0.000 1.249 580 C CA 0.347 59.344 59.018 -0.036 0.000 1.725 580 C CB -1.197 26.472 27.740 -0.118 0.000 2.028 580 C HN 0.516 nan 8.230 nan 0.000 0.477 581 L N -0.162 121.129 121.223 0.112 0.000 2.042 581 L HA -0.227 4.106 4.340 -0.013 0.000 0.210 581 L C 2.742 179.778 176.870 0.277 0.000 1.076 581 L CA 1.971 56.932 54.840 0.202 0.000 0.749 581 L CB -1.148 41.106 42.059 0.326 0.000 0.893 581 L HN 0.611 nan 8.230 nan 0.000 0.432 582 H N -0.092 119.104 119.070 0.209 0.000 2.357 582 H HA -0.131 4.417 4.556 -0.012 0.000 0.301 582 H C 2.251 177.585 175.328 0.011 0.000 1.082 582 H CA 1.884 57.977 56.048 0.074 0.000 1.342 582 H CB 0.288 30.045 29.762 -0.009 0.000 1.389 582 H HN 0.090 nan 8.280 nan 0.000 0.511 583 V N 1.512 121.369 119.914 -0.095 0.000 2.287 583 V HA -0.273 3.839 4.120 -0.013 0.000 0.248 583 V C 2.857 178.895 176.094 -0.094 0.000 1.053 583 V CA 1.922 64.127 62.300 -0.159 0.000 1.027 583 V CB -0.524 31.250 31.823 -0.082 0.000 0.646 583 V HN 0.381 nan 8.190 nan 0.000 0.447 584 I N -0.399 120.155 120.570 -0.027 0.000 2.315 584 I HA -0.220 3.942 4.170 -0.013 0.000 0.248 584 I C 2.489 178.681 176.117 0.125 0.000 1.117 584 I CA 1.648 63.008 61.300 0.100 0.000 1.404 584 I CB -0.516 37.532 38.000 0.080 0.000 1.071 584 I HN 0.327 nan 8.210 nan 0.000 0.419 585 T N 1.035 115.607 114.554 0.030 0.000 2.708 585 T HA -0.149 4.193 4.350 -0.013 0.000 0.266 585 T C 1.865 176.520 174.700 -0.075 0.000 1.037 585 T CA 1.152 63.255 62.100 0.004 0.000 1.146 585 T CB -0.228 68.653 68.868 0.021 0.000 0.865 585 T HN 0.069 nan 8.240 nan 0.000 0.435 586 L N 0.273 121.377 121.223 -0.199 0.000 2.013 586 L HA -0.072 4.261 4.340 -0.013 0.000 0.212 586 L C 2.068 178.901 176.870 -0.061 0.000 1.073 586 L CA 1.642 56.366 54.840 -0.194 0.000 0.753 586 L CB -1.144 40.741 42.059 -0.291 0.000 0.890 586 L HN 0.383 nan 8.230 nan 0.000 0.432 587 Y N 0.263 120.504 120.300 -0.098 0.000 2.128 587 Y HA -0.311 4.231 4.550 -0.013 0.000 0.284 587 Y C 2.462 178.345 175.900 -0.028 0.000 1.154 587 Y CA 1.932 60.015 58.100 -0.029 0.000 1.149 587 Y CB -0.093 38.401 38.460 0.057 0.000 0.976 587 Y HN 0.288 nan 8.280 nan 0.000 0.505 588 N N 0.401 119.057 118.700 -0.073 0.000 2.166 588 N HA -0.139 4.594 4.740 -0.013 0.000 0.186 588 N C 1.788 177.184 175.510 -0.190 0.000 1.019 588 N CA 1.477 54.416 53.050 -0.184 0.000 0.856 588 N CB -0.330 38.116 38.487 -0.068 0.000 0.993 588 N HN 0.458 nan 8.380 nan 0.000 0.426 589 R N 0.310 120.727 120.500 -0.139 0.000 2.092 589 R HA 0.090 4.422 4.340 -0.013 0.000 0.231 589 R C 2.198 178.411 176.300 -0.145 0.000 1.119 589 R CA 0.696 56.722 56.100 -0.124 0.000 0.970 589 R CB -0.237 30.000 30.300 -0.104 0.000 0.864 589 R HN 0.226 nan 8.270 nan 0.000 0.440 590 I N 1.030 121.495 120.570 -0.175 0.000 2.226 590 I HA -0.260 3.903 4.170 -0.013 0.000 0.245 590 I C 2.003 178.004 176.117 -0.195 0.000 1.100 590 I CA 1.213 62.411 61.300 -0.169 0.000 1.374 590 I CB -0.109 37.794 38.000 -0.161 0.000 1.057 590 I HN 0.012 nan 8.210 nan 0.000 0.413 591 K N 0.684 120.904 120.400 -0.301 0.000 2.283 591 K HA -0.177 4.135 4.320 -0.013 0.000 0.202 591 K C 1.957 178.452 176.600 -0.175 0.000 1.048 591 K CA 0.914 57.034 56.287 -0.278 0.000 0.948 591 K CB -0.184 32.061 32.500 -0.424 0.000 0.742 591 K HN 0.160 nan 8.250 nan 0.000 0.458 592 K N 1.830 122.136 120.400 -0.156 0.000 2.098 592 K HA -0.044 4.268 4.320 -0.013 0.000 0.203 592 K C 0.139 176.690 176.600 -0.082 0.000 1.051 592 K CA 1.146 57.367 56.287 -0.110 0.000 0.957 592 K CB 0.403 32.841 32.500 -0.103 0.000 0.738 592 K HN 0.044 nan 8.250 nan 0.000 0.447 593 E N 0.835 120.986 120.200 -0.081 0.000 3.037 593 E HA 0.181 4.523 4.350 -0.013 0.000 0.220 593 E C -2.337 174.229 176.600 -0.057 0.000 1.142 593 E CA -1.760 54.606 56.400 -0.057 0.000 0.888 593 E CB 1.538 31.210 29.700 -0.045 0.000 1.329 593 E HN 0.090 nan 8.360 nan 0.000 0.409 594 P HA -0.175 nan 4.420 nan 0.000 0.216 594 P C 0.322 177.607 177.300 -0.024 0.000 1.153 594 P CA 1.300 64.371 63.100 -0.048 0.000 0.858 594 P CB 0.141 31.816 31.700 -0.040 0.000 0.789 595 N N -0.940 117.754 118.700 -0.010 0.000 2.346 595 N HA 0.021 4.753 4.740 -0.013 0.000 0.225 595 N C 0.385 175.913 175.510 0.029 0.000 1.144 595 N CA 0.033 53.090 53.050 0.012 0.000 0.837 595 N CB -0.091 38.403 38.487 0.010 0.000 1.069 595 N HN 0.078 nan 8.380 nan 0.000 0.487 596 K N 1.012 121.424 120.400 0.020 0.000 2.159 596 K HA 0.189 4.501 4.320 -0.013 0.000 0.266 596 K C -1.037 175.606 176.600 0.071 0.000 0.975 596 K CA -0.653 55.660 56.287 0.044 0.000 0.865 596 K CB 0.822 33.327 32.500 0.009 0.000 1.087 596 K HN -0.049 nan 8.250 nan 0.000 0.446 597 F N 4.485 124.423 119.950 -0.020 0.000 2.443 597 F HA 0.258 4.778 4.527 -0.013 0.000 0.353 597 F C -0.486 175.302 175.800 -0.021 0.000 1.101 597 F CA -0.055 57.934 58.000 -0.018 0.000 1.226 597 F CB 0.710 39.702 39.000 -0.013 0.000 1.140 597 F HN 0.195 nan 8.300 nan 0.000 0.557 598 V N 3.894 123.176 119.914 -1.053 0.000 2.888 598 V HA 0.510 4.622 4.120 -0.013 0.000 0.309 598 V C -0.810 174.640 176.094 -1.073 0.000 1.114 598 V CA -1.254 60.582 62.300 -0.773 0.000 0.940 598 V CB 0.894 32.487 31.823 -0.382 0.000 1.021 598 V HN 0.585 nan 8.190 nan 0.000 0.426 599 V N 4.693 124.264 119.914 -0.572 0.000 2.493 599 V HA 0.195 4.307 4.120 -0.013 0.000 0.292 599 V C -1.779 174.153 176.094 -0.270 0.000 1.016 599 V CA -0.399 61.717 62.300 -0.308 0.000 1.097 599 V CB 0.445 32.215 31.823 -0.089 0.000 0.947 599 V HN 0.906 nan 8.190 nan 0.000 0.479 600 P HA 0.384 nan 4.420 nan 0.000 0.269 600 P C -0.496 176.721 177.300 -0.139 0.000 1.209 600 P CA -0.172 62.847 63.100 -0.135 0.000 0.776 600 P CB 0.574 32.243 31.700 -0.051 0.000 0.876 601 R N 0.480 120.914 120.500 -0.109 0.000 2.698 601 R HA 0.584 4.916 4.340 -0.013 0.000 0.275 601 R C -0.983 175.288 176.300 -0.048 0.000 1.001 601 R CA -0.596 55.442 56.100 -0.103 0.000 0.896 601 R CB 1.984 32.205 30.300 -0.132 0.000 1.218 601 R HN 0.279 nan 8.270 nan 0.000 0.462 602 T N 1.954 116.500 114.554 -0.013 0.000 2.864 602 T HA 0.229 4.571 4.350 -0.013 0.000 0.310 602 T C -0.832 173.797 174.700 -0.117 0.000 1.040 602 T CA -0.571 61.489 62.100 -0.066 0.000 0.977 602 T CB 1.162 69.961 68.868 -0.115 0.000 0.976 602 T HN 0.348 nan 8.240 nan 0.000 0.459 603 V N 4.964 124.810 119.914 -0.113 0.000 2.370 603 V HA 0.688 4.801 4.120 -0.013 0.000 0.279 603 V C -0.542 175.471 176.094 -0.135 0.000 1.029 603 V CA -0.682 61.552 62.300 -0.111 0.000 0.870 603 V CB 0.709 32.488 31.823 -0.074 0.000 0.984 603 V HN 0.870 nan 8.190 nan 0.000 0.451 604 M N 7.591 127.094 119.600 -0.163 0.000 2.114 604 M HA 0.586 5.058 4.480 -0.013 0.000 0.332 604 M C -0.903 175.278 176.300 -0.198 0.000 1.014 604 M CA -0.188 55.003 55.300 -0.181 0.000 0.956 604 M CB 1.839 34.318 32.600 -0.202 0.000 1.551 604 M HN 0.520 nan 8.290 nan 0.000 0.427 605 I N 2.413 122.858 120.570 -0.208 0.000 2.389 605 I HA 0.739 4.901 4.170 -0.013 0.000 0.288 605 I C 0.211 176.019 176.117 -0.513 0.000 0.999 605 I CA -0.555 60.601 61.300 -0.239 0.000 1.129 605 I CB 1.906 39.858 38.000 -0.079 0.000 1.288 605 I HN 0.791 nan 8.210 nan 0.000 0.444 606 G N 3.308 111.766 108.800 -0.571 0.000 2.659 606 G HA2 0.844 4.797 3.960 -0.013 0.000 0.296 606 G HA3 0.844 4.797 3.960 -0.013 0.000 0.296 606 G C -0.930 173.674 174.900 -0.493 0.000 1.369 606 G CA -0.862 43.753 45.100 -0.808 0.000 0.937 606 G HN 0.930 nan 8.290 nan 0.000 0.485 607 G N -0.329 108.324 108.800 -0.245 0.000 2.358 607 G HA2 0.433 4.385 3.960 -0.013 0.000 0.303 607 G HA3 0.433 4.385 3.960 -0.013 0.000 0.303 607 G C -1.507 173.521 174.900 0.214 0.000 1.537 607 G CA -1.000 44.130 45.100 0.050 0.000 0.928 607 G HN 0.601 nan 8.290 nan 0.000 0.656 608 K N -0.241 120.285 120.400 0.210 0.000 2.123 608 K HA 0.762 5.075 4.320 -0.013 0.000 0.259 608 K C 0.122 176.861 176.600 0.231 0.000 0.960 608 K CA -0.270 56.160 56.287 0.238 0.000 0.872 608 K CB 1.991 34.543 32.500 0.086 0.000 1.079 608 K HN 0.865 nan 8.250 nan 0.000 0.440 609 A N 1.686 124.678 122.820 0.287 0.000 2.304 609 A HA 0.652 4.965 4.320 -0.013 0.000 0.323 609 A C -0.493 177.262 177.584 0.285 0.000 1.195 609 A CA -0.715 51.428 52.037 0.177 0.000 0.826 609 A CB 1.047 20.079 19.000 0.053 0.000 1.184 609 A HN 0.786 nan 8.150 nan 0.000 0.496 610 A N 3.865 126.830 122.820 0.242 0.000 2.540 610 A HA 0.467 4.779 4.320 -0.013 0.000 0.239 610 A C -1.343 176.315 177.584 0.124 0.000 1.061 610 A CA -0.765 51.416 52.037 0.239 0.000 0.758 610 A CB -0.337 18.762 19.000 0.165 0.000 0.991 610 A HN 0.605 nan 8.150 nan 0.000 0.502 611 P HA -0.145 nan 4.420 nan 0.000 0.217 611 P C 1.306 178.593 177.300 -0.022 0.000 1.148 611 P CA 2.007 65.049 63.100 -0.096 0.000 0.834 611 P CB 0.190 31.783 31.700 -0.179 0.000 0.783 612 G N -3.111 105.696 108.800 0.011 0.000 3.088 612 G HA2 -0.087 3.866 3.960 -0.013 0.000 0.217 612 G HA3 -0.087 3.866 3.960 -0.013 0.000 0.217 612 G C -0.099 174.828 174.900 0.044 0.000 1.159 612 G CA -0.144 44.963 45.100 0.011 0.000 0.760 612 G HN 0.302 nan 8.290 nan 0.000 0.550 613 Y N 1.983 122.213 120.300 -0.116 0.000 2.636 613 Y HA 0.140 4.682 4.550 -0.013 0.000 0.341 613 Y C 1.743 177.619 175.900 -0.040 0.000 1.169 613 Y CA -0.965 57.049 58.100 -0.144 0.000 1.498 613 Y CB 0.058 38.390 38.460 -0.213 0.000 1.362 613 Y HN 0.314 nan 8.280 nan 0.000 0.494 614 H N 3.912 123.091 119.070 0.183 0.000 2.319 614 H HA -0.230 4.319 4.556 -0.012 0.000 0.299 614 H C 1.832 177.186 175.328 0.042 0.000 1.092 614 H CA 2.275 58.376 56.048 0.088 0.000 1.302 614 H CB 0.367 30.175 29.762 0.077 0.000 1.373 614 H HN 0.696 nan 8.280 nan 0.000 0.497 615 M N 1.187 120.749 119.600 -0.063 0.000 2.065 615 M HA -0.105 4.367 4.480 -0.013 0.000 0.259 615 M C 2.658 178.703 176.300 -0.425 0.000 1.069 615 M CA 1.985 57.157 55.300 -0.212 0.000 1.110 615 M CB -1.054 31.563 32.600 0.029 0.000 1.328 615 M HN 0.355 nan 8.290 nan 0.000 0.405 616 A N -0.433 121.880 122.820 -0.845 0.000 1.948 616 A HA -0.235 4.077 4.320 -0.013 0.000 0.220 616 A C 2.200 179.575 177.584 -0.347 0.000 1.177 616 A CA 2.112 53.697 52.037 -0.753 0.000 0.636 616 A CB -0.747 17.601 19.000 -1.087 0.000 0.815 616 A HN 0.626 nan 8.150 nan 0.000 0.449 617 K N -1.377 118.876 120.400 -0.244 0.000 2.288 617 K HA 0.033 4.346 4.320 -0.013 0.000 0.201 617 K C 1.776 178.339 176.600 -0.063 0.000 1.048 617 K CA 0.908 57.145 56.287 -0.084 0.000 0.956 617 K CB -0.134 32.379 32.500 0.022 0.000 0.746 617 K HN 0.337 nan 8.250 nan 0.000 0.461 618 M N 0.418 119.927 119.600 -0.151 0.000 2.288 618 M HA -0.015 4.458 4.480 -0.013 0.000 0.266 618 M C 1.996 178.237 176.300 -0.099 0.000 1.072 618 M CA 1.280 56.529 55.300 -0.085 0.000 1.132 618 M CB -0.405 32.107 32.600 -0.146 0.000 1.386 618 M HN 0.102 nan 8.290 nan 0.000 0.432 619 I N -0.395 120.076 120.570 -0.165 0.000 2.315 619 I HA -0.272 3.891 4.170 -0.013 0.000 0.248 619 I C 2.233 178.220 176.117 -0.217 0.000 1.117 619 I CA 0.924 62.118 61.300 -0.178 0.000 1.404 619 I CB -0.249 37.644 38.000 -0.178 0.000 1.071 619 I HN 0.148 nan 8.210 nan 0.000 0.419 620 I N 0.768 121.191 120.570 -0.245 0.000 2.286 620 I HA -0.296 3.867 4.170 -0.013 0.000 0.248 620 I C 2.543 178.369 176.117 -0.486 0.000 1.115 620 I CA 1.213 62.269 61.300 -0.405 0.000 1.392 620 I CB -0.208 37.541 38.000 -0.418 0.000 1.065 620 I HN 0.151 nan 8.210 nan 0.000 0.418 621 K N 1.348 121.488 120.400 -0.433 0.000 2.148 621 K HA -0.116 4.196 4.320 -0.013 0.000 0.204 621 K C 1.973 178.403 176.600 -0.282 0.000 1.050 621 K CA 1.319 57.271 56.287 -0.558 0.000 0.942 621 K CB -0.390 31.532 32.500 -0.964 0.000 0.724 621 K HN 0.235 nan 8.250 nan 0.000 0.446 622 L N 0.322 121.400 121.223 -0.241 0.000 2.027 622 L HA -0.110 4.223 4.340 -0.013 0.000 0.206 622 L C 2.104 178.727 176.870 -0.412 0.000 1.074 622 L CA 1.541 56.092 54.840 -0.483 0.000 0.745 622 L CB -0.286 41.434 42.059 -0.566 0.000 0.898 622 L HN 0.231 nan 8.230 nan 0.000 0.433 623 I N 0.028 120.409 120.570 -0.315 0.000 2.163 623 I HA -0.350 3.812 4.170 -0.013 0.000 0.243 623 I C 2.614 178.607 176.117 -0.207 0.000 1.085 623 I CA 2.012 63.176 61.300 -0.225 0.000 1.347 623 I CB -0.654 37.291 38.000 -0.091 0.000 1.044 623 I HN 0.425 nan 8.210 nan 0.000 0.408 624 T N -0.886 113.516 114.554 -0.253 0.000 2.867 624 T HA -0.049 4.294 4.350 -0.013 0.000 0.268 624 T C 1.951 176.564 174.700 -0.145 0.000 1.057 624 T CA 0.907 62.892 62.100 -0.193 0.000 1.136 624 T CB -0.414 68.297 68.868 -0.261 0.000 0.874 624 T HN 0.351 nan 8.240 nan 0.000 0.466 625 A N 1.464 124.188 122.820 -0.161 0.000 1.898 625 A HA 0.164 4.476 4.320 -0.013 0.000 0.216 625 A C 2.345 179.895 177.584 -0.057 0.000 1.181 625 A CA 1.201 53.203 52.037 -0.058 0.000 0.620 625 A CB -0.784 18.243 19.000 0.044 0.000 0.819 625 A HN 0.569 nan 8.150 nan 0.000 0.442 626 I N -0.233 120.192 120.570 -0.241 0.000 2.226 626 I HA -0.191 3.972 4.170 -0.013 0.000 0.245 626 I C 2.684 178.725 176.117 -0.126 0.000 1.100 626 I CA 1.182 62.313 61.300 -0.282 0.000 1.374 626 I CB -0.507 37.225 38.000 -0.447 0.000 1.057 626 I HN 0.384 nan 8.210 nan 0.000 0.413 627 G N 0.156 108.880 108.800 -0.126 0.000 2.422 627 G HA2 -0.246 3.707 3.960 -0.013 0.000 0.218 627 G HA3 -0.246 3.707 3.960 -0.013 0.000 0.218 627 G C 1.274 176.117 174.900 -0.094 0.000 1.146 627 G CA 0.867 45.901 45.100 -0.111 0.000 0.769 627 G HN 0.273 nan 8.290 nan 0.000 0.547 628 D N 0.113 120.502 120.400 -0.017 0.000 2.123 628 D HA -0.090 4.542 4.640 -0.013 0.000 0.196 628 D C 2.730 179.101 176.300 0.118 0.000 0.992 628 D CA 0.753 54.811 54.000 0.098 0.000 0.833 628 D CB -0.257 40.588 40.800 0.074 0.000 0.954 628 D HN 0.233 nan 8.370 nan 0.000 0.455 629 V N 0.299 120.217 119.914 0.007 0.000 2.273 629 V HA -0.161 3.952 4.120 -0.013 0.000 0.242 629 V C 2.656 178.673 176.094 -0.129 0.000 1.035 629 V CA 0.873 63.125 62.300 -0.081 0.000 1.013 629 V CB -0.469 31.251 31.823 -0.171 0.000 0.652 629 V HN 0.021 nan 8.190 nan 0.000 0.452 630 V N 1.002 120.775 119.914 -0.234 0.000 2.287 630 V HA -0.256 3.856 4.120 -0.013 0.000 0.248 630 V C 2.147 178.176 176.094 -0.108 0.000 1.053 630 V CA 2.225 64.394 62.300 -0.220 0.000 1.027 630 V CB -0.951 30.747 31.823 -0.207 0.000 0.646 630 V HN 0.576 nan 8.190 nan 0.000 0.447 631 N N -0.498 118.067 118.700 -0.226 0.000 2.573 631 N HA -0.084 4.648 4.740 -0.013 0.000 0.187 631 N C 1.084 176.297 175.510 -0.495 0.000 1.107 631 N CA 0.888 53.720 53.050 -0.365 0.000 0.918 631 N CB -0.298 37.892 38.487 -0.495 0.000 0.966 631 N HN 0.715 nan 8.380 nan 0.000 0.448 632 H N -1.730 117.349 119.070 0.015 0.000 2.662 632 H HA 0.214 4.763 4.556 -0.012 0.000 0.268 632 H C -0.652 174.700 175.328 0.039 0.000 1.152 632 H CA -0.506 55.554 56.048 0.020 0.000 1.072 632 H CB 0.705 30.467 29.762 0.000 0.000 1.660 632 H HN -0.041 nan 8.280 nan 0.000 0.584 633 D N 1.644 122.123 120.400 0.132 0.000 2.313 633 D HA 0.066 4.699 4.640 -0.013 0.000 0.239 633 D C -1.653 174.714 176.300 0.113 0.000 1.142 633 D CA -2.156 51.938 54.000 0.156 0.000 0.847 633 D CB 1.823 42.791 40.800 0.280 0.000 1.082 633 D HN 0.099 nan 8.370 nan 0.000 0.480 634 P HA -0.120 nan 4.420 nan 0.000 0.217 634 P C 1.594 178.924 177.300 0.049 0.000 1.150 634 P CA 0.399 63.537 63.100 0.063 0.000 0.832 634 P CB 0.425 32.156 31.700 0.052 0.000 0.787 635 V N -0.552 119.390 119.914 0.046 0.000 2.490 635 V HA -0.165 3.947 4.120 -0.013 0.000 0.250 635 V C 2.442 178.547 176.094 0.017 0.000 1.061 635 V CA 1.488 63.800 62.300 0.021 0.000 1.064 635 V CB -1.000 30.823 31.823 -0.001 0.000 0.670 635 V HN -0.018 nan 8.190 nan 0.000 0.461 636 V N -0.251 119.691 119.914 0.047 0.000 2.453 636 V HA 0.106 4.219 4.120 -0.013 0.000 0.247 636 V C 1.815 177.927 176.094 0.030 0.000 1.048 636 V CA 1.477 63.804 62.300 0.046 0.000 1.049 636 V CB -1.122 30.773 31.823 0.120 0.000 0.672 636 V HN 0.731 nan 8.190 nan 0.000 0.457 637 G N 1.512 110.336 108.800 0.040 0.000 2.556 637 G HA2 -0.413 3.540 3.960 -0.013 0.000 0.283 637 G HA3 -0.413 3.540 3.960 -0.013 0.000 0.283 637 G C 0.286 175.206 174.900 0.034 0.000 1.177 637 G CA 0.645 45.766 45.100 0.036 0.000 0.978 637 G HN 0.734 nan 8.290 nan 0.000 0.554 638 D N -0.148 120.273 120.400 0.035 0.000 2.388 638 D HA 0.334 4.966 4.640 -0.013 0.000 0.221 638 D C 1.862 178.171 176.300 0.014 0.000 1.133 638 D CA 0.216 54.239 54.000 0.039 0.000 0.831 638 D CB 0.139 40.978 40.800 0.065 0.000 0.962 638 D HN 0.569 nan 8.370 nan 0.000 0.502 639 R N -0.606 119.889 120.500 -0.008 0.000 2.193 639 R HA 0.271 4.604 4.340 -0.013 0.000 0.213 639 R C -0.198 176.069 176.300 -0.055 0.000 1.055 639 R CA 0.322 56.392 56.100 -0.051 0.000 0.995 639 R CB 0.184 30.434 30.300 -0.084 0.000 0.893 639 R HN 0.167 nan 8.270 nan 0.000 0.459 640 L N 0.735 121.943 121.223 -0.025 0.000 2.562 640 L HA 0.378 4.710 4.340 -0.013 0.000 0.266 640 L C -1.604 175.250 176.870 -0.027 0.000 0.949 640 L CA -0.513 54.310 54.840 -0.028 0.000 0.879 640 L CB 1.663 43.718 42.059 -0.007 0.000 1.278 640 L HN -0.126 nan 8.230 nan 0.000 0.404 641 R N 4.149 124.620 120.500 -0.048 0.000 2.621 641 R HA 0.743 5.076 4.340 -0.013 0.000 0.292 641 R C -1.492 174.758 176.300 -0.084 0.000 0.969 641 R CA -0.835 55.225 56.100 -0.067 0.000 0.887 641 R CB 2.349 32.611 30.300 -0.064 0.000 1.180 641 R HN 0.378 nan 8.270 nan 0.000 0.450 642 V N 4.994 124.851 119.914 -0.094 0.000 2.350 642 V HA 0.460 4.573 4.120 -0.013 0.000 0.285 642 V C -0.078 175.970 176.094 -0.077 0.000 1.014 642 V CA -0.599 61.646 62.300 -0.091 0.000 0.831 642 V CB 1.404 33.166 31.823 -0.102 0.000 1.000 642 V HN 0.581 nan 8.190 nan 0.000 0.433 643 I N 4.723 125.248 120.570 -0.075 0.000 2.465 643 I HA 0.449 4.611 4.170 -0.013 0.000 0.291 643 I C -0.788 175.311 176.117 -0.029 0.000 1.014 643 I CA -0.454 60.813 61.300 -0.054 0.000 1.093 643 I CB 2.110 40.053 38.000 -0.094 0.000 1.267 643 I HN 0.567 nan 8.210 nan 0.000 0.431 644 F N 7.625 127.507 119.950 -0.113 0.000 2.371 644 F HA 0.433 4.953 4.527 -0.012 0.000 0.363 644 F C -0.657 175.074 175.800 -0.116 0.000 1.122 644 F CA -0.766 57.168 58.000 -0.111 0.000 1.129 644 F CB 0.571 39.511 39.000 -0.100 0.000 1.173 644 F HN 0.144 nan 8.300 nan 0.000 0.489 645 L N 5.858 126.682 121.223 -0.664 0.000 2.456 645 L HA 0.124 4.457 4.340 -0.013 0.000 0.277 645 L C 0.384 176.931 176.870 -0.539 0.000 1.124 645 L CA 0.254 54.803 54.840 -0.484 0.000 0.880 645 L CB -0.008 41.849 42.059 -0.337 0.000 1.192 645 L HN 0.624 nan 8.230 nan 0.000 0.463 646 E N 3.007 123.023 120.200 -0.306 0.000 2.383 646 E HA -0.002 4.341 4.350 -0.013 0.000 0.264 646 E C 0.515 177.141 176.600 0.044 0.000 1.050 646 E CA -0.278 56.096 56.400 -0.043 0.000 0.896 646 E CB 0.339 30.025 29.700 -0.023 0.000 0.982 646 E HN 0.523 nan 8.360 nan 0.000 0.424 647 N N 2.280 121.083 118.700 0.171 0.000 2.705 647 N HA -0.288 4.445 4.740 -0.013 0.000 0.255 647 N C -1.526 174.071 175.510 0.146 0.000 1.008 647 N CA 0.521 53.676 53.050 0.176 0.000 0.742 647 N CB -1.310 37.306 38.487 0.214 0.000 0.906 647 N HN 0.422 nan 8.380 nan 0.000 0.541 648 Y N 1.483 121.778 120.300 -0.009 0.000 2.632 648 Y HA 0.155 4.698 4.550 -0.013 0.000 0.329 648 Y C 1.101 177.011 175.900 0.016 0.000 1.174 648 Y CA 0.359 58.440 58.100 -0.031 0.000 1.469 648 Y CB 0.279 38.689 38.460 -0.083 0.000 1.242 648 Y HN 0.364 nan 8.280 nan 0.000 0.540 649 R N 2.606 122.791 120.500 -0.525 0.000 2.781 649 R HA 0.486 4.818 4.340 -0.013 0.000 0.268 649 R C -0.171 175.792 176.300 -0.560 0.000 1.047 649 R CA -0.661 55.180 56.100 -0.433 0.000 0.925 649 R CB 0.391 30.628 30.300 -0.106 0.000 1.246 649 R HN 0.356 nan 8.270 nan 0.000 0.456 650 V N 1.111 120.717 119.914 -0.513 0.000 2.250 650 V HA -0.322 3.791 4.120 -0.013 0.000 0.250 650 V C 2.605 178.571 176.094 -0.214 0.000 1.060 650 V CA 2.965 65.035 62.300 -0.382 0.000 1.030 650 V CB -0.854 30.706 31.823 -0.437 0.000 0.643 650 V HN 0.962 nan 8.190 nan 0.000 0.445 651 S N -0.059 115.536 115.700 -0.174 0.000 2.400 651 S HA -0.188 4.274 4.470 -0.013 0.000 0.232 651 S C 1.906 176.461 174.600 -0.076 0.000 1.025 651 S CA 1.771 59.903 58.200 -0.113 0.000 0.993 651 S CB -0.505 62.660 63.200 -0.059 0.000 0.808 651 S HN 0.394 nan 8.310 nan 0.000 0.478 652 L N 1.827 123.006 121.223 -0.072 0.000 2.131 652 L HA 0.394 4.726 4.340 -0.013 0.000 0.206 652 L C 2.627 179.495 176.870 -0.003 0.000 1.087 652 L CA 1.316 56.151 54.840 -0.007 0.000 0.767 652 L CB -1.387 40.718 42.059 0.076 0.000 0.917 652 L HN 0.342 nan 8.230 nan 0.000 0.441 653 A N -0.618 122.179 122.820 -0.037 0.000 1.933 653 A HA -0.212 4.101 4.320 -0.013 0.000 0.218 653 A C 2.081 179.707 177.584 0.070 0.000 1.175 653 A CA 1.669 53.758 52.037 0.087 0.000 0.628 653 A CB -0.598 18.436 19.000 0.057 0.000 0.814 653 A HN 0.592 nan 8.150 nan 0.000 0.444 654 E N -0.467 119.765 120.200 0.054 0.000 2.401 654 E HA -0.146 4.197 4.350 -0.013 0.000 0.199 654 E C 1.699 178.262 176.600 -0.061 0.000 1.023 654 E CA 1.004 57.404 56.400 -0.001 0.000 0.859 654 E CB -0.027 29.587 29.700 -0.143 0.000 0.780 654 E HN 0.624 nan 8.360 nan 0.000 0.523 655 K N -0.192 120.147 120.400 -0.101 0.000 2.214 655 K HA -0.004 4.309 4.320 -0.013 0.000 0.201 655 K C 2.155 178.533 176.600 -0.369 0.000 1.049 655 K CA 0.749 56.952 56.287 -0.141 0.000 0.978 655 K CB 0.431 32.855 32.500 -0.127 0.000 0.842 655 K HN -0.012 nan 8.250 nan 0.000 0.474 656 V N 0.626 120.225 119.914 -0.525 0.000 2.407 656 V HA -0.140 3.973 4.120 -0.013 0.000 0.245 656 V C 2.167 177.993 176.094 -0.447 0.000 1.041 656 V CA 1.183 62.989 62.300 -0.822 0.000 1.040 656 V CB -0.749 30.719 31.823 -0.593 0.000 0.671 656 V HN 0.161 nan 8.190 nan 0.000 0.455 657 I N 1.000 121.341 120.570 -0.382 0.000 2.163 657 I HA -0.146 4.017 4.170 -0.013 0.000 0.243 657 I C -0.099 175.876 176.117 -0.236 0.000 1.085 657 I CA 1.842 62.835 61.300 -0.510 0.000 1.347 657 I CB -1.619 35.965 38.000 -0.693 0.000 1.044 657 I HN 0.365 nan 8.210 nan 0.000 0.408 658 P HA -0.090 nan 4.420 nan 0.000 0.225 658 P C 0.803 178.096 177.300 -0.011 0.000 1.148 658 P CA 1.181 64.249 63.100 -0.053 0.000 0.779 658 P CB 0.032 31.713 31.700 -0.032 0.000 0.780 659 A N -1.349 121.449 122.820 -0.037 0.000 2.387 659 A HA 0.551 4.864 4.320 -0.013 0.000 0.234 659 A C 1.048 178.748 177.584 0.194 0.000 1.253 659 A CA -0.042 52.039 52.037 0.073 0.000 0.894 659 A CB -0.516 18.541 19.000 0.096 0.000 0.963 659 A HN 0.187 nan 8.150 nan 0.000 0.508 660 A N -0.325 122.590 122.820 0.158 0.000 2.327 660 A HA 0.537 4.849 4.320 -0.013 0.000 0.283 660 A C 0.282 178.016 177.584 0.250 0.000 1.127 660 A CA -0.299 51.897 52.037 0.266 0.000 0.810 660 A CB 0.486 19.742 19.000 0.427 0.000 1.066 660 A HN 0.228 nan 8.150 nan 0.000 0.492 661 D N 0.409 120.951 120.400 0.236 0.000 2.490 661 D HA 0.126 4.758 4.640 -0.013 0.000 0.244 661 D C 0.037 176.520 176.300 0.305 0.000 0.979 661 D CA 0.734 54.907 54.000 0.287 0.000 0.924 661 D CB 0.257 41.140 40.800 0.138 0.000 1.075 661 D HN 0.357 nan 8.370 nan 0.000 0.488 662 L N 1.287 122.585 121.223 0.124 0.000 2.333 662 L HA 0.297 4.629 4.340 -0.013 0.000 0.280 662 L C -0.636 176.102 176.870 -0.220 0.000 1.004 662 L CA -0.285 54.552 54.840 -0.006 0.000 0.820 662 L CB 1.942 43.969 42.059 -0.054 0.000 1.247 662 L HN -0.135 nan 8.230 nan 0.000 0.416 663 S N 4.441 119.918 115.700 -0.373 0.000 2.442 663 S HA 0.354 4.817 4.470 -0.013 0.000 0.297 663 S C -0.449 173.858 174.600 -0.489 0.000 1.131 663 S CA -0.670 57.046 58.200 -0.807 0.000 1.092 663 S CB 0.882 63.505 63.200 -0.961 0.000 0.998 663 S HN 0.577 nan 8.310 nan 0.000 0.478 664 E N 3.997 123.920 120.200 -0.463 0.000 2.081 664 E HA 0.233 4.575 4.350 -0.013 0.000 0.276 664 E C -0.619 175.864 176.600 -0.195 0.000 0.950 664 E CA -0.499 55.763 56.400 -0.229 0.000 0.776 664 E CB 1.172 30.771 29.700 -0.168 0.000 1.094 664 E HN 0.614 nan 8.360 nan 0.000 0.402 665 Q N 2.871 122.609 119.800 -0.102 0.000 2.943 665 Q HA 0.256 4.589 4.340 -0.013 0.000 0.327 665 Q C 0.588 176.568 176.000 -0.034 0.000 0.937 665 Q CA -0.136 55.620 55.803 -0.078 0.000 0.914 665 Q CB 0.271 28.974 28.738 -0.058 0.000 1.339 665 Q HN 0.619 nan 8.270 nan 0.000 0.417 666 I N -1.303 119.241 120.570 -0.043 0.000 3.626 666 I HA 0.284 4.447 4.170 -0.013 0.000 0.345 666 I C 0.168 176.233 176.117 -0.087 0.000 1.502 666 I CA -0.545 60.739 61.300 -0.026 0.000 1.135 666 I CB 0.099 38.096 38.000 -0.005 0.000 1.456 666 I HN -0.027 nan 8.210 nan 0.000 0.460 667 S N 0.506 116.153 115.700 -0.089 0.000 2.603 667 S HA 0.309 4.771 4.470 -0.013 0.000 0.268 667 S C 0.497 175.076 174.600 -0.034 0.000 1.317 667 S CA -0.398 57.765 58.200 -0.062 0.000 1.012 667 S CB 0.897 64.103 63.200 0.009 0.000 0.926 667 S HN 0.412 nan 8.310 nan 0.000 0.539 668 T N 2.645 117.213 114.554 0.024 0.000 2.867 668 T HA 0.383 4.725 4.350 -0.013 0.000 0.297 668 T C 0.731 175.443 174.700 0.020 0.000 0.989 668 T CA 0.212 62.337 62.100 0.041 0.000 1.159 668 T CB -0.071 68.896 68.868 0.165 0.000 0.928 668 T HN 1.000 nan 8.240 nan 0.000 0.538 669 A N 2.938 125.739 122.820 -0.031 0.000 2.591 669 A HA 0.420 4.733 4.320 -0.013 0.000 0.244 669 A C 1.662 179.239 177.584 -0.011 0.000 1.031 669 A CA 0.367 52.381 52.037 -0.039 0.000 0.767 669 A CB -0.936 18.030 19.000 -0.057 0.000 0.942 669 A HN 1.720 nan 8.150 nan 0.000 0.514 670 G N 1.437 110.228 108.800 -0.014 0.000 2.175 670 G HA2 -0.240 3.712 3.960 -0.013 0.000 0.244 670 G HA3 -0.240 3.712 3.960 -0.013 0.000 0.244 670 G C 0.914 175.803 174.900 -0.019 0.000 0.982 670 G CA 1.133 46.226 45.100 -0.011 0.000 0.641 670 G HN 2.069 nan 8.290 nan 0.000 0.527 671 T N -2.483 112.059 114.554 -0.021 0.000 3.018 671 T HA 0.403 4.745 4.350 -0.013 0.000 0.246 671 T C 0.749 175.305 174.700 -0.240 0.000 1.026 671 T CA 1.110 63.136 62.100 -0.124 0.000 1.081 671 T CB 0.554 69.388 68.868 -0.057 0.000 0.970 671 T HN 0.285 nan 8.240 nan 0.000 0.475 672 E N 1.427 121.609 120.200 -0.030 0.000 2.044 672 E HA 0.673 5.015 4.350 -0.013 0.000 0.282 672 E C 1.193 177.749 176.600 -0.074 0.000 1.031 672 E CA 0.073 56.498 56.400 0.041 0.000 0.824 672 E CB 0.786 30.564 29.700 0.130 0.000 1.076 672 E HN 0.332 nan 8.360 nan 0.000 0.395 673 A N 3.464 126.169 122.820 -0.192 0.000 1.915 673 A HA -0.260 4.052 4.320 -0.013 0.000 0.220 673 A C 1.966 179.437 177.584 -0.188 0.000 1.198 673 A CA 2.471 54.278 52.037 -0.385 0.000 0.647 673 A CB -0.345 18.255 19.000 -0.666 0.000 0.825 673 A HN 0.625 nan 8.150 nan 0.000 0.456 674 S N -4.258 111.385 115.700 -0.095 0.000 4.193 674 S HA 0.456 4.918 4.470 -0.013 0.000 0.211 674 S C 0.667 175.254 174.600 -0.021 0.000 1.162 674 S CA 1.356 59.539 58.200 -0.027 0.000 1.039 674 S CB -0.109 63.096 63.200 0.008 0.000 1.371 674 S HN 2.365 nan 8.310 nan 0.000 0.550 675 G N 0.172 108.966 108.800 -0.010 0.000 2.692 675 G HA2 0.018 3.971 3.960 -0.013 0.000 0.686 675 G HA3 0.018 3.971 3.960 -0.013 0.000 0.686 675 G C 0.201 175.079 174.900 -0.036 0.000 1.243 675 G CA 0.450 45.539 45.100 -0.017 0.000 0.782 675 G HN 1.404 nan 8.290 nan 0.000 0.625 676 T N -2.287 112.232 114.554 -0.059 0.000 3.074 676 T HA 0.378 4.721 4.350 -0.013 0.000 0.258 676 T C 2.276 176.873 174.700 -0.171 0.000 0.891 676 T CA 1.218 63.254 62.100 -0.106 0.000 0.867 676 T CB 0.347 69.150 68.868 -0.108 0.000 1.261 676 T HN 1.879 nan 8.240 nan 0.000 0.537 677 G N 3.112 111.841 108.800 -0.119 0.000 2.422 677 G HA2 -0.218 3.735 3.960 -0.013 0.000 0.218 677 G HA3 -0.218 3.735 3.960 -0.013 0.000 0.218 677 G C 1.440 176.387 174.900 0.079 0.000 1.146 677 G CA 1.100 46.148 45.100 -0.087 0.000 0.769 677 G HN 0.808 nan 8.290 nan 0.000 0.547 678 N N 0.271 118.996 118.700 0.041 0.000 2.104 678 N HA -0.157 4.576 4.740 -0.013 0.000 0.190 678 N C 2.218 177.729 175.510 0.002 0.000 1.024 678 N CA 1.377 54.452 53.050 0.041 0.000 0.853 678 N CB -0.377 38.085 38.487 -0.041 0.000 1.008 678 N HN 0.337 nan 8.380 nan 0.000 0.424 679 M N 0.757 120.289 119.600 -0.114 0.000 2.175 679 M HA -0.028 4.445 4.480 -0.013 0.000 0.264 679 M C 2.066 178.315 176.300 -0.084 0.000 1.063 679 M CA 1.405 56.619 55.300 -0.144 0.000 1.119 679 M CB -0.127 32.384 32.600 -0.148 0.000 1.377 679 M HN 0.096 nan 8.290 nan 0.000 0.415 680 K N 0.179 120.465 120.400 -0.190 0.000 2.032 680 K HA -0.131 4.182 4.320 -0.013 0.000 0.209 680 K C 1.712 178.201 176.600 -0.186 0.000 1.048 680 K CA 1.523 57.626 56.287 -0.306 0.000 0.927 680 K CB -0.271 31.833 32.500 -0.661 0.000 0.712 680 K HN 0.156 nan 8.250 nan 0.000 0.441 681 F N 0.912 120.786 119.950 -0.127 0.000 2.146 681 F HA -0.140 4.380 4.527 -0.013 0.000 0.298 681 F C 2.555 178.324 175.800 -0.052 0.000 1.096 681 F CA 1.193 59.143 58.000 -0.083 0.000 1.275 681 F CB -0.286 38.655 39.000 -0.098 0.000 1.008 681 F HN 0.015 nan 8.300 nan 0.000 0.480 682 M N -0.327 119.357 119.600 0.141 0.000 2.117 682 M HA -0.198 4.275 4.480 -0.013 0.000 0.262 682 M C 2.030 178.384 176.300 0.090 0.000 1.065 682 M CA 1.642 56.994 55.300 0.088 0.000 1.114 682 M CB -0.226 32.422 32.600 0.080 0.000 1.361 682 M HN 0.276 nan 8.290 nan 0.000 0.408 683 L N 0.391 121.667 121.223 0.087 0.000 2.478 683 L HA 0.012 4.344 4.340 -0.013 0.000 0.223 683 L C 1.045 177.959 176.870 0.074 0.000 1.140 683 L CA 1.269 56.166 54.840 0.094 0.000 0.842 683 L CB -0.389 41.737 42.059 0.113 0.000 0.953 683 L HN 0.306 nan 8.230 nan 0.000 0.452 684 N N 0.160 118.895 118.700 0.058 0.000 2.238 684 N HA 0.191 4.924 4.740 -0.013 0.000 0.222 684 N C 0.754 176.298 175.510 0.057 0.000 1.133 684 N CA 0.742 53.818 53.050 0.044 0.000 0.854 684 N CB 0.597 39.085 38.487 0.001 0.000 1.041 684 N HN 0.368 nan 8.380 nan 0.000 0.510 685 G N 0.677 109.516 108.800 0.065 0.000 2.182 685 G HA2 -0.197 3.755 3.960 -0.013 0.000 0.248 685 G HA3 -0.197 3.755 3.960 -0.013 0.000 0.248 685 G C -0.051 174.917 174.900 0.113 0.000 1.042 685 G CA 0.263 45.404 45.100 0.069 0.000 0.775 685 G HN 0.527 nan 8.290 nan 0.000 0.501 686 A N -0.742 122.151 122.820 0.122 0.000 2.356 686 A HA 0.909 5.221 4.320 -0.013 0.000 0.323 686 A C -0.359 177.233 177.584 0.013 0.000 1.119 686 A CA -0.748 51.381 52.037 0.153 0.000 0.790 686 A CB 1.554 20.712 19.000 0.264 0.000 1.273 686 A HN 0.795 nan 8.150 nan 0.000 0.452 687 L N 0.770 121.971 121.223 -0.036 0.000 2.343 687 L HA 0.570 4.902 4.340 -0.013 0.000 0.275 687 L C 0.393 177.136 176.870 -0.212 0.000 1.056 687 L CA 0.379 55.097 54.840 -0.204 0.000 0.804 687 L CB 1.686 43.541 42.059 -0.339 0.000 1.203 687 L HN 0.738 nan 8.230 nan 0.000 0.440 688 T N 4.425 118.727 114.554 -0.420 0.000 2.767 688 T HA 0.510 4.853 4.350 -0.013 0.000 0.284 688 T C -0.192 174.376 174.700 -0.220 0.000 0.973 688 T CA -0.143 61.693 62.100 -0.441 0.000 0.996 688 T CB 0.792 69.221 68.868 -0.732 0.000 0.927 688 T HN 0.451 nan 8.240 nan 0.000 0.456 689 I N 3.037 123.573 120.570 -0.056 0.000 2.330 689 I HA 0.719 4.881 4.170 -0.013 0.000 0.289 689 I C 0.121 176.389 176.117 0.251 0.000 1.001 689 I CA 0.087 61.474 61.300 0.146 0.000 1.193 689 I CB 0.232 38.243 38.000 0.019 0.000 1.345 689 I HN 0.780 nan 8.210 nan 0.000 0.461 690 G N 4.022 113.040 108.800 0.363 0.000 2.606 690 G HA2 0.474 4.427 3.960 -0.013 0.000 0.300 690 G HA3 0.474 4.427 3.960 -0.013 0.000 0.300 690 G C -0.971 173.829 174.900 -0.167 0.000 1.360 690 G CA -0.257 44.962 45.100 0.200 0.000 0.783 690 G HN 0.579 nan 8.290 nan 0.000 0.484 691 T N -1.806 112.536 114.554 -0.355 0.000 2.927 691 T HA 0.550 4.892 4.350 -0.013 0.000 0.281 691 T C 0.603 175.180 174.700 -0.204 0.000 0.998 691 T CA -0.731 61.088 62.100 -0.467 0.000 1.019 691 T CB 1.340 69.928 68.868 -0.467 0.000 1.061 691 T HN 0.258 nan 8.240 nan 0.000 0.518 692 M N 2.959 122.452 119.600 -0.179 0.000 3.442 692 M HA 0.320 4.792 4.480 -0.013 0.000 0.232 692 M C -0.471 175.772 176.300 -0.094 0.000 1.508 692 M CA -0.024 55.207 55.300 -0.116 0.000 1.647 692 M CB -1.821 30.720 32.600 -0.099 0.000 1.126 692 M HN 0.729 nan 8.290 nan 0.000 0.557 693 D N -0.059 120.290 120.400 -0.084 0.000 2.671 693 D HA 0.673 5.306 4.640 -0.013 0.000 0.232 693 D C 0.746 177.022 176.300 -0.041 0.000 1.114 693 D CA 0.717 54.683 54.000 -0.056 0.000 0.858 693 D CB 1.734 42.502 40.800 -0.054 0.000 1.544 693 D HN 0.598 nan 8.370 nan 0.000 0.471 694 G N 1.873 110.659 108.800 -0.023 0.000 2.652 694 G HA2 -0.268 3.684 3.960 -0.013 0.000 0.318 694 G HA3 -0.268 3.684 3.960 -0.013 0.000 0.318 694 G C 1.024 175.915 174.900 -0.015 0.000 1.295 694 G CA 1.111 46.202 45.100 -0.014 0.000 0.999 694 G HN 1.059 nan 8.290 nan 0.000 0.548 695 A N -0.225 122.580 122.820 -0.025 0.000 2.206 695 A HA 0.129 4.442 4.320 -0.013 0.000 0.211 695 A C 2.085 179.606 177.584 -0.105 0.000 1.158 695 A CA 1.772 53.789 52.037 -0.034 0.000 0.761 695 A CB -0.433 18.533 19.000 -0.057 0.000 0.801 695 A HN 0.602 nan 8.150 nan 0.000 0.473 696 N N 0.504 119.147 118.700 -0.095 0.000 2.149 696 N HA -0.151 4.581 4.740 -0.013 0.000 0.188 696 N C 1.605 176.983 175.510 -0.220 0.000 1.019 696 N CA 1.597 54.582 53.050 -0.109 0.000 0.857 696 N CB -0.574 37.893 38.487 -0.033 0.000 0.997 696 N HN 0.284 nan 8.380 nan 0.000 0.426 697 V N 1.320 121.148 119.914 -0.143 0.000 2.287 697 V HA -0.219 3.894 4.120 -0.013 0.000 0.248 697 V C 1.963 177.980 176.094 -0.129 0.000 1.053 697 V CA 1.699 63.913 62.300 -0.143 0.000 1.027 697 V CB -0.507 31.269 31.823 -0.079 0.000 0.646 697 V HN 0.360 nan 8.190 nan 0.000 0.447 698 E N -0.602 119.581 120.200 -0.028 0.000 2.152 698 E HA -0.156 4.187 4.350 -0.013 0.000 0.192 698 E C 2.195 178.910 176.600 0.192 0.000 0.983 698 E CA 1.128 57.588 56.400 0.100 0.000 0.818 698 E CB -0.180 29.661 29.700 0.236 0.000 0.758 698 E HN 0.559 nan 8.360 nan 0.000 0.467 699 M N 0.382 119.996 119.600 0.024 0.000 2.077 699 M HA -0.107 4.365 4.480 -0.013 0.000 0.261 699 M C 2.520 178.622 176.300 -0.330 0.000 1.070 699 M CA 1.497 56.768 55.300 -0.048 0.000 1.125 699 M CB -0.180 32.271 32.600 -0.248 0.000 1.339 699 M HN 0.127 nan 8.290 nan 0.000 0.409 700 A N 0.024 122.314 122.820 -0.884 0.000 1.933 700 A HA -0.223 4.090 4.320 -0.013 0.000 0.218 700 A C 1.990 179.370 177.584 -0.341 0.000 1.175 700 A CA 1.994 53.446 52.037 -0.974 0.000 0.628 700 A CB -0.851 17.577 19.000 -0.954 0.000 0.814 700 A HN 0.606 nan 8.150 nan 0.000 0.444 701 E N -0.459 119.610 120.200 -0.219 0.000 2.150 701 E HA -0.200 4.143 4.350 -0.013 0.000 0.193 701 E C 1.655 178.224 176.600 -0.052 0.000 0.985 701 E CA 1.189 57.526 56.400 -0.104 0.000 0.814 701 E CB -0.050 29.608 29.700 -0.069 0.000 0.752 701 E HN 0.583 nan 8.360 nan 0.000 0.466 702 E N -0.150 120.045 120.200 -0.009 0.000 2.122 702 E HA -0.051 4.292 4.350 -0.013 0.000 0.190 702 E C 1.736 178.359 176.600 0.038 0.000 0.977 702 E CA 0.937 57.353 56.400 0.028 0.000 0.820 702 E CB 0.156 29.913 29.700 0.094 0.000 0.770 702 E HN 0.350 nan 8.360 nan 0.000 0.462 703 A N 0.493 123.344 122.820 0.052 0.000 2.095 703 A HA 0.379 4.692 4.320 -0.013 0.000 0.212 703 A C 1.012 178.618 177.584 0.036 0.000 1.162 703 A CA 0.973 53.058 52.037 0.079 0.000 0.753 703 A CB 0.201 19.313 19.000 0.188 0.000 0.840 703 A HN 0.215 nan 8.150 nan 0.000 0.468 704 G N -0.454 108.341 108.800 -0.009 0.000 3.067 704 G HA2 -0.087 3.865 3.960 -0.013 0.000 0.686 704 G HA3 -0.087 3.865 3.960 -0.013 0.000 0.686 704 G C -0.076 174.809 174.900 -0.025 0.000 1.119 704 G CA -0.023 45.062 45.100 -0.025 0.000 0.790 704 G HN 0.236 nan 8.290 nan 0.000 0.605 705 E N 0.790 120.960 120.200 -0.050 0.000 2.331 705 E HA -0.132 4.210 4.350 -0.013 0.000 0.199 705 E C 2.024 178.608 176.600 -0.027 0.000 1.008 705 E CA 1.666 58.043 56.400 -0.039 0.000 0.843 705 E CB 0.096 29.767 29.700 -0.048 0.000 0.761 705 E HN 0.782 nan 8.360 nan 0.000 0.507 706 E N 0.582 120.755 120.200 -0.045 0.000 2.208 706 E HA -0.078 4.265 4.350 -0.013 0.000 0.193 706 E C 1.026 177.537 176.600 -0.149 0.000 0.988 706 E CA 0.656 57.007 56.400 -0.083 0.000 0.828 706 E CB 0.058 29.723 29.700 -0.060 0.000 0.763 706 E HN 0.159 nan 8.360 nan 0.000 0.478 707 N N -0.279 118.365 118.700 -0.094 0.000 2.276 707 N HA 0.126 4.858 4.740 -0.013 0.000 0.212 707 N C -0.885 174.542 175.510 -0.138 0.000 1.127 707 N CA 0.157 53.123 53.050 -0.139 0.000 0.834 707 N CB 0.390 38.852 38.487 -0.043 0.000 1.014 707 N HN 0.041 nan 8.380 nan 0.000 0.491 708 F N -0.449 119.289 119.950 -0.353 0.000 2.588 708 F HA 0.408 4.926 4.527 -0.014 0.000 0.314 708 F C -0.724 174.850 175.800 -0.376 0.000 1.069 708 F CA -1.096 56.735 58.000 -0.282 0.000 0.931 708 F CB 1.391 40.317 39.000 -0.123 0.000 1.260 708 F HN -0.224 nan 8.300 nan 0.000 0.465 709 F N 4.801 124.777 119.950 0.043 0.000 2.344 709 F HA 0.421 4.941 4.527 -0.012 0.000 0.344 709 F C -0.398 175.539 175.800 0.228 0.000 1.140 709 F CA -0.497 57.556 58.000 0.088 0.000 1.256 709 F CB -0.074 38.922 39.000 -0.007 0.000 1.573 709 F HN 0.039 nan 8.300 nan 0.000 0.547 710 I N 3.152 123.929 120.570 0.345 0.000 2.472 710 I HA 0.387 4.550 4.170 -0.013 0.000 0.290 710 I C -0.067 176.231 176.117 0.301 0.000 1.016 710 I CA -0.354 61.104 61.300 0.263 0.000 1.348 710 I CB 0.546 38.619 38.000 0.123 0.000 1.417 710 I HN 0.351 nan 8.210 nan 0.000 0.521 711 F N 2.806 122.824 119.950 0.113 0.000 2.789 711 F HA 0.898 5.417 4.527 -0.013 0.000 0.319 711 F C 0.112 175.956 175.800 0.073 0.000 1.168 711 F CA -0.555 57.502 58.000 0.096 0.000 0.934 711 F CB 0.664 39.736 39.000 0.119 0.000 1.375 711 F HN 0.868 nan 8.300 nan 0.000 0.480 712 G N 0.950 109.867 108.800 0.195 0.000 2.796 712 G HA2 -0.148 3.805 3.960 -0.013 0.000 0.226 712 G HA3 -0.148 3.805 3.960 -0.013 0.000 0.226 712 G C -0.742 174.142 174.900 -0.026 0.000 1.381 712 G CA -0.444 44.687 45.100 0.052 0.000 0.867 712 G HN 0.976 nan 8.290 nan 0.000 0.552 713 M N 0.681 120.273 119.600 -0.012 0.000 2.252 713 M HA 0.247 4.719 4.480 -0.013 0.000 0.333 713 M C 1.247 177.518 176.300 -0.049 0.000 1.111 713 M CA 0.134 55.429 55.300 -0.008 0.000 1.140 713 M CB 0.377 32.980 32.600 0.004 0.000 1.538 713 M HN 0.572 nan 8.290 nan 0.000 0.448 714 R N 1.494 121.977 120.500 -0.028 0.000 2.602 714 R HA 0.342 4.674 4.340 -0.013 0.000 0.237 714 R C 1.155 177.437 176.300 -0.030 0.000 1.219 714 R CA -0.668 55.408 56.100 -0.040 0.000 1.121 714 R CB -0.191 30.091 30.300 -0.028 0.000 1.408 714 R HN 0.558 nan 8.270 nan 0.000 0.559 715 V N 1.790 121.685 119.914 -0.031 0.000 2.332 715 V HA -0.252 3.861 4.120 -0.013 0.000 0.248 715 V C 2.052 178.137 176.094 -0.015 0.000 1.055 715 V CA 2.052 64.337 62.300 -0.025 0.000 1.038 715 V CB -0.489 31.317 31.823 -0.028 0.000 0.651 715 V HN 0.602 nan 8.190 nan 0.000 0.450 716 E N 0.297 120.489 120.200 -0.012 0.000 2.058 716 E HA -0.240 4.103 4.350 -0.013 0.000 0.194 716 E C 1.818 178.423 176.600 0.008 0.000 0.997 716 E CA 1.680 58.078 56.400 -0.004 0.000 0.801 716 E CB -0.964 28.734 29.700 -0.002 0.000 0.746 716 E HN 0.630 nan 8.360 nan 0.000 0.450 717 D N 0.941 121.348 120.400 0.013 0.000 2.144 717 D HA -0.095 4.538 4.640 -0.013 0.000 0.199 717 D C 2.156 178.474 176.300 0.031 0.000 0.984 717 D CA 1.183 55.201 54.000 0.030 0.000 0.834 717 D CB -0.010 40.812 40.800 0.037 0.000 0.955 717 D HN 0.056 nan 8.370 nan 0.000 0.465 718 V N 2.002 121.922 119.914 0.010 0.000 2.295 718 V HA -0.224 3.889 4.120 -0.013 0.000 0.246 718 V C 2.037 178.134 176.094 0.006 0.000 1.049 718 V CA 1.783 64.082 62.300 -0.002 0.000 1.024 718 V CB -0.423 31.389 31.823 -0.018 0.000 0.648 718 V HN 0.043 nan 8.190 nan 0.000 0.447 719 D N -0.435 119.967 120.400 0.004 0.000 2.117 719 D HA -0.150 4.483 4.640 -0.013 0.000 0.197 719 D C 2.349 178.663 176.300 0.022 0.000 0.987 719 D CA 1.155 55.159 54.000 0.007 0.000 0.829 719 D CB -0.246 40.553 40.800 -0.001 0.000 0.961 719 D HN 0.308 nan 8.370 nan 0.000 0.460 720 R N 0.259 120.776 120.500 0.030 0.000 2.083 720 R HA -0.066 4.267 4.340 -0.013 0.000 0.237 720 R C 2.497 178.833 176.300 0.060 0.000 1.137 720 R CA 0.718 56.843 56.100 0.041 0.000 0.951 720 R CB -0.456 29.871 30.300 0.045 0.000 0.851 720 R HN 0.170 nan 8.270 nan 0.000 0.434 721 L N 0.565 121.834 121.223 0.077 0.000 2.079 721 L HA -0.242 4.091 4.340 -0.013 0.000 0.210 721 L C 1.485 178.423 176.870 0.113 0.000 1.081 721 L CA 1.470 56.383 54.840 0.121 0.000 0.752 721 L CB -0.318 41.830 42.059 0.148 0.000 0.896 721 L HN 0.314 nan 8.230 nan 0.000 0.433 722 D N -0.965 119.476 120.400 0.069 0.000 2.149 722 D HA -0.158 4.474 4.640 -0.013 0.000 0.201 722 D C 2.290 178.622 176.300 0.054 0.000 0.972 722 D CA 0.758 54.791 54.000 0.057 0.000 0.835 722 D CB 0.042 40.855 40.800 0.021 0.000 0.966 722 D HN 0.364 nan 8.370 nan 0.000 0.476 723 Q N 0.642 120.469 119.800 0.045 0.000 2.002 723 Q HA -0.134 4.198 4.340 -0.013 0.000 0.204 723 Q C 2.286 178.314 176.000 0.047 0.000 0.988 723 Q CA 0.923 56.749 55.803 0.038 0.000 0.843 723 Q CB -0.518 28.239 28.738 0.032 0.000 0.908 723 Q HN 0.304 nan 8.270 nan 0.000 0.420 724 R N 0.235 120.770 120.500 0.058 0.000 2.094 724 R HA -0.088 4.244 4.340 -0.013 0.000 0.239 724 R C 0.261 176.603 176.300 0.070 0.000 1.137 724 R CA 1.328 57.465 56.100 0.063 0.000 0.943 724 R CB -0.216 30.131 30.300 0.078 0.000 0.850 724 R HN 0.439 nan 8.270 nan 0.000 0.433 725 G N -0.664 108.194 108.800 0.097 0.000 3.363 725 G HA2 -0.215 3.737 3.960 -0.013 0.000 0.685 725 G HA3 -0.215 3.737 3.960 -0.013 0.000 0.685 725 G C -1.421 173.578 174.900 0.166 0.000 1.199 725 G CA -0.478 44.687 45.100 0.109 0.000 0.946 725 G HN 0.302 nan 8.290 nan 0.000 0.558 726 Y N 3.825 124.161 120.300 0.061 0.000 2.393 726 Y HA 0.591 5.133 4.550 -0.012 0.000 0.338 726 Y C 0.300 176.261 175.900 0.101 0.000 1.029 726 Y CA -0.854 57.302 58.100 0.093 0.000 1.239 726 Y CB 0.988 39.484 38.460 0.060 0.000 1.170 726 Y HN 0.573 nan 8.280 nan 0.000 0.515 727 N N 5.077 123.540 118.700 -0.393 0.000 2.524 727 N HA 0.289 5.021 4.740 -0.013 0.000 0.261 727 N C -0.043 175.203 175.510 -0.440 0.000 0.998 727 N CA 0.249 53.090 53.050 -0.348 0.000 0.915 727 N CB 1.682 40.094 38.487 -0.125 0.000 1.187 727 N HN 0.878 nan 8.380 nan 0.000 0.507 728 A N 3.053 125.566 122.820 -0.513 0.000 2.067 728 A HA -0.169 4.144 4.320 -0.013 0.000 0.219 728 A C 1.913 179.641 177.584 0.239 0.000 1.158 728 A CA 1.157 53.153 52.037 -0.068 0.000 0.661 728 A CB -0.210 18.716 19.000 -0.123 0.000 0.801 728 A HN 0.753 nan 8.150 nan 0.000 0.452 729 Q N 0.350 120.177 119.800 0.045 0.000 2.096 729 Q HA -0.215 4.118 4.340 -0.013 0.000 0.204 729 Q C 1.870 177.935 176.000 0.109 0.000 0.982 729 Q CA 2.204 58.046 55.803 0.064 0.000 0.850 729 Q CB -0.326 28.406 28.738 -0.010 0.000 0.901 729 Q HN 0.751 nan 8.270 nan 0.000 0.422 730 E N -1.172 119.029 120.200 0.001 0.000 2.048 730 E HA -0.262 4.080 4.350 -0.013 0.000 0.202 730 E C 1.751 178.273 176.600 -0.131 0.000 1.021 730 E CA 1.777 58.103 56.400 -0.124 0.000 0.825 730 E CB -0.292 29.223 29.700 -0.309 0.000 0.756 730 E HN 0.568 nan 8.360 nan 0.000 0.454 731 Y N -1.130 119.213 120.300 0.072 0.000 2.207 731 Y HA -0.258 4.285 4.550 -0.013 0.000 0.287 731 Y C 2.248 178.112 175.900 -0.060 0.000 1.156 731 Y CA 1.654 59.779 58.100 0.042 0.000 1.182 731 Y CB -0.598 37.937 38.460 0.125 0.000 0.979 731 Y HN 0.294 nan 8.280 nan 0.000 0.521 732 Y N 1.067 121.357 120.300 -0.016 0.000 2.224 732 Y HA -0.240 4.302 4.550 -0.012 0.000 0.289 732 Y C 1.889 177.735 175.900 -0.090 0.000 1.146 732 Y CA 1.692 59.710 58.100 -0.137 0.000 1.182 732 Y CB -0.335 38.096 38.460 -0.049 0.000 0.983 732 Y HN 0.068 nan 8.280 nan 0.000 0.524 733 D N -0.148 120.322 120.400 0.117 0.000 2.123 733 D HA -0.112 4.521 4.640 -0.013 0.000 0.200 733 D C 1.907 178.170 176.300 -0.063 0.000 0.976 733 D CA 1.256 55.275 54.000 0.032 0.000 0.831 733 D CB -0.099 40.738 40.800 0.061 0.000 0.974 733 D HN 0.479 nan 8.370 nan 0.000 0.469 734 R N 0.012 120.474 120.500 -0.063 0.000 2.300 734 R HA 0.211 4.544 4.340 -0.013 0.000 0.199 734 R C 0.408 176.675 176.300 -0.054 0.000 0.920 734 R CA 0.127 56.192 56.100 -0.058 0.000 1.046 734 R CB 0.671 30.938 30.300 -0.055 0.000 0.984 734 R HN 0.172 nan 8.270 nan 0.000 0.493 735 I N 2.413 122.929 120.570 -0.090 0.000 2.437 735 I HA 0.214 4.377 4.170 -0.013 0.000 0.279 735 I C -1.873 174.139 176.117 -0.174 0.000 1.028 735 I CA -2.432 58.822 61.300 -0.078 0.000 1.142 735 I CB 2.305 40.294 38.000 -0.018 0.000 1.266 735 I HN -0.262 nan 8.210 nan 0.000 0.461 736 P HA -0.144 nan 4.420 nan 0.000 0.216 736 P C 1.208 178.412 177.300 -0.160 0.000 1.153 736 P CA 1.283 64.285 63.100 -0.163 0.000 0.848 736 P CB 0.311 31.948 31.700 -0.104 0.000 0.787 737 E N -0.860 119.287 120.200 -0.088 0.000 2.077 737 E HA -0.176 4.166 4.350 -0.013 0.000 0.193 737 E C 1.868 178.389 176.600 -0.132 0.000 0.989 737 E CA 0.818 57.188 56.400 -0.050 0.000 0.800 737 E CB -0.621 29.119 29.700 0.066 0.000 0.746 737 E HN 0.104 nan 8.360 nan 0.000 0.452 738 L N 1.390 122.453 121.223 -0.267 0.000 2.056 738 L HA -0.146 4.187 4.340 -0.013 0.000 0.207 738 L C 2.366 178.966 176.870 -0.449 0.000 1.078 738 L CA 1.693 56.197 54.840 -0.560 0.000 0.749 738 L CB -0.452 41.127 42.059 -0.800 0.000 0.901 738 L HN -0.074 nan 8.230 nan 0.000 0.433 739 R N -0.780 119.422 120.500 -0.497 0.000 2.083 739 R HA -0.247 4.086 4.340 -0.013 0.000 0.237 739 R C 2.403 178.530 176.300 -0.287 0.000 1.137 739 R CA 2.031 57.745 56.100 -0.643 0.000 0.951 739 R CB -0.416 29.424 30.300 -0.767 0.000 0.851 739 R HN 0.630 nan 8.270 nan 0.000 0.434 740 Q N 0.398 120.070 119.800 -0.213 0.000 2.135 740 Q HA -0.193 4.140 4.340 -0.013 0.000 0.204 740 Q C 2.046 177.999 176.000 -0.078 0.000 0.981 740 Q CA 1.894 57.620 55.803 -0.129 0.000 0.856 740 Q CB -0.092 28.573 28.738 -0.122 0.000 0.902 740 Q HN 0.493 nan 8.270 nan 0.000 0.425 741 I N 0.018 120.546 120.570 -0.069 0.000 2.202 741 I HA -0.272 3.890 4.170 -0.013 0.000 0.242 741 I C 2.140 178.298 176.117 0.068 0.000 1.091 741 I CA 0.764 62.072 61.300 0.013 0.000 1.368 741 I CB -0.157 37.835 38.000 -0.014 0.000 1.058 741 I HN 0.210 nan 8.210 nan 0.000 0.410 742 I N 0.735 121.338 120.570 0.054 0.000 2.286 742 I HA -0.277 3.885 4.170 -0.013 0.000 0.248 742 I C 2.324 178.545 176.117 0.174 0.000 1.115 742 I CA 1.624 63.020 61.300 0.159 0.000 1.392 742 I CB -0.317 37.855 38.000 0.286 0.000 1.065 742 I HN 0.205 nan 8.210 nan 0.000 0.418 743 E N -0.452 119.829 120.200 0.135 0.000 2.285 743 E HA -0.189 4.154 4.350 -0.013 0.000 0.194 743 E C 2.060 178.725 176.600 0.108 0.000 0.997 743 E CA 0.446 56.920 56.400 0.123 0.000 0.845 743 E CB -0.037 29.715 29.700 0.086 0.000 0.782 743 E HN 0.583 nan 8.360 nan 0.000 0.491 744 Q N 0.489 120.347 119.800 0.097 0.000 2.083 744 Q HA -0.060 4.272 4.340 -0.013 0.000 0.198 744 Q C 2.248 178.427 176.000 0.297 0.000 0.969 744 Q CA 0.813 56.684 55.803 0.114 0.000 0.838 744 Q CB 0.140 28.895 28.738 0.027 0.000 0.900 744 Q HN 0.276 nan 8.270 nan 0.000 0.436 745 L N -0.376 121.038 121.223 0.318 0.000 2.027 745 L HA -0.168 4.165 4.340 -0.013 0.000 0.206 745 L C 2.397 179.452 176.870 0.308 0.000 1.074 745 L CA 0.907 55.953 54.840 0.344 0.000 0.745 745 L CB -0.359 41.826 42.059 0.210 0.000 0.898 745 L HN 0.130 nan 8.230 nan 0.000 0.433 746 S N -0.402 115.435 115.700 0.228 0.000 2.419 746 S HA -0.129 4.333 4.470 -0.013 0.000 0.233 746 S C 1.997 176.697 174.600 0.167 0.000 1.016 746 S CA 1.485 59.796 58.200 0.186 0.000 0.974 746 S CB -0.119 63.170 63.200 0.149 0.000 0.786 746 S HN 0.604 nan 8.310 nan 0.000 0.492 747 S N -0.266 115.537 115.700 0.171 0.000 2.556 747 S HA 0.410 4.873 4.470 -0.013 0.000 0.216 747 S C 1.319 176.012 174.600 0.154 0.000 0.970 747 S CA 0.592 58.878 58.200 0.142 0.000 0.912 747 S CB 0.365 63.637 63.200 0.120 0.000 0.790 747 S HN 0.686 nan 8.310 nan 0.000 0.504 748 G N 0.959 109.883 108.800 0.206 0.000 2.141 748 G HA2 -0.306 3.646 3.960 -0.013 0.000 0.231 748 G HA3 -0.306 3.646 3.960 -0.013 0.000 0.231 748 G C 0.244 175.235 174.900 0.153 0.000 0.984 748 G CA 0.113 45.323 45.100 0.183 0.000 0.660 748 G HN 0.563 nan 8.290 nan 0.000 0.525 749 F N 0.308 120.264 119.950 0.009 0.000 2.161 749 F HA 0.163 4.683 4.527 -0.013 0.000 0.300 749 F C 1.863 177.495 175.800 -0.281 0.000 1.089 749 F CA 2.051 59.945 58.000 -0.178 0.000 1.282 749 F CB -0.056 38.756 39.000 -0.314 0.000 1.010 749 F HN 0.155 nan 8.300 nan 0.000 0.485 750 F N -0.174 119.833 119.950 0.096 0.000 2.727 750 F HA 0.200 4.720 4.527 -0.013 0.000 0.302 750 F C 0.680 176.546 175.800 0.110 0.000 1.097 750 F CA 0.265 58.268 58.000 0.006 0.000 1.330 750 F CB -0.039 38.992 39.000 0.052 0.000 1.084 750 F HN -0.018 nan 8.300 nan 0.000 0.578 751 S N -1.697 114.153 115.700 0.250 0.000 2.440 751 S HA 0.326 4.788 4.470 -0.013 0.000 0.142 751 S C -2.472 172.164 174.600 0.059 0.000 1.578 751 S CA -1.076 57.218 58.200 0.157 0.000 1.260 751 S CB 1.001 64.286 63.200 0.141 0.000 1.407 751 S HN -0.190 nan 8.310 nan 0.000 0.392 752 P HA -0.126 nan 4.420 nan 0.000 0.214 752 P C 1.250 178.551 177.300 0.003 0.000 1.163 752 P CA 1.450 64.544 63.100 -0.009 0.000 0.889 752 P CB 0.084 31.758 31.700 -0.044 0.000 0.790 753 K N -0.887 119.513 120.400 0.000 0.000 2.147 753 K HA -0.101 4.212 4.320 -0.013 0.000 0.205 753 K C 0.644 177.247 176.600 0.005 0.000 1.049 753 K CA 1.072 57.361 56.287 0.003 0.000 0.936 753 K CB -0.250 32.252 32.500 0.005 0.000 0.722 753 K HN 0.345 nan 8.250 nan 0.000 0.446 754 Q N -0.268 119.533 119.800 0.001 0.000 2.798 754 Q HA 0.157 4.489 4.340 -0.013 0.000 0.250 754 Q C -2.334 173.661 176.000 -0.008 0.000 1.006 754 Q CA -1.628 54.169 55.803 -0.009 0.000 0.759 754 Q CB 1.602 30.325 28.738 -0.025 0.000 1.201 754 Q HN -0.083 nan 8.270 nan 0.000 0.486 755 P HA -0.229 nan 4.420 nan 0.000 0.217 755 P C 0.619 177.958 177.300 0.065 0.000 1.148 755 P CA 1.392 64.525 63.100 0.055 0.000 0.828 755 P CB 0.227 31.960 31.700 0.054 0.000 0.783 756 D N -1.047 119.373 120.400 0.033 0.000 2.340 756 D HA -0.018 4.614 4.640 -0.013 0.000 0.217 756 D C 1.654 177.953 176.300 -0.002 0.000 1.081 756 D CA -0.195 53.831 54.000 0.043 0.000 0.842 756 D CB -0.484 40.342 40.800 0.042 0.000 0.934 756 D HN 0.015 nan 8.370 nan 0.000 0.511 757 L N 0.215 121.373 121.223 -0.109 0.000 2.051 757 L HA -0.117 4.216 4.340 -0.013 0.000 0.214 757 L C 1.014 177.651 176.870 -0.389 0.000 1.076 757 L CA 1.703 56.352 54.840 -0.319 0.000 0.758 757 L CB -0.685 41.001 42.059 -0.622 0.000 0.890 757 L HN -0.011 nan 8.230 nan 0.000 0.433 758 F N -0.641 119.365 119.950 0.094 0.000 2.819 758 F HA 0.164 4.684 4.527 -0.012 0.000 0.294 758 F C 1.712 177.566 175.800 0.090 0.000 1.166 758 F CA -0.217 57.830 58.000 0.078 0.000 1.374 758 F CB -0.292 38.743 39.000 0.059 0.000 0.956 758 F HN 0.106 nan 8.300 nan 0.000 0.509 759 K N -0.829 119.690 120.400 0.198 0.000 2.148 759 K HA -0.121 4.191 4.320 -0.013 0.000 0.204 759 K C 0.971 177.677 176.600 0.178 0.000 1.050 759 K CA 1.628 58.017 56.287 0.170 0.000 0.942 759 K CB -0.134 32.441 32.500 0.125 0.000 0.724 759 K HN 0.039 nan 8.250 nan 0.000 0.446 760 D N 1.320 121.837 120.400 0.195 0.000 2.144 760 D HA -0.071 4.561 4.640 -0.013 0.000 0.200 760 D C 1.990 178.406 176.300 0.193 0.000 0.978 760 D CA 1.064 55.191 54.000 0.211 0.000 0.833 760 D CB -0.093 40.866 40.800 0.264 0.000 0.961 760 D HN 0.280 nan 8.370 nan 0.000 0.470 761 I N 0.416 121.097 120.570 0.185 0.000 2.163 761 I HA -0.221 3.941 4.170 -0.013 0.000 0.240 761 I C 2.452 178.630 176.117 0.101 0.000 1.081 761 I CA 0.624 62.002 61.300 0.131 0.000 1.353 761 I CB -0.231 37.841 38.000 0.120 0.000 1.054 761 I HN -0.124 nan 8.210 nan 0.000 0.407 762 V N 0.971 120.960 119.914 0.126 0.000 2.295 762 V HA -0.336 3.776 4.120 -0.013 0.000 0.246 762 V C 2.170 178.285 176.094 0.035 0.000 1.049 762 V CA 2.555 64.912 62.300 0.095 0.000 1.024 762 V CB -1.056 30.842 31.823 0.126 0.000 0.648 762 V HN 0.496 nan 8.190 nan 0.000 0.447 763 N N -0.410 118.344 118.700 0.090 0.000 2.036 763 N HA -0.266 4.467 4.740 -0.013 0.000 0.195 763 N C 2.000 177.502 175.510 -0.014 0.000 1.037 763 N CA 2.068 55.185 53.050 0.111 0.000 0.855 763 N CB -0.194 38.423 38.487 0.216 0.000 1.033 763 N HN 0.390 nan 8.380 nan 0.000 0.423 764 M N 0.123 119.773 119.600 0.085 0.000 2.080 764 M HA -0.156 4.316 4.480 -0.013 0.000 0.260 764 M C 1.622 177.861 176.300 -0.102 0.000 1.068 764 M CA 1.410 56.772 55.300 0.104 0.000 1.109 764 M CB -0.471 32.251 32.600 0.204 0.000 1.342 764 M HN 0.252 nan 8.290 nan 0.000 0.405 765 L N 0.852 121.993 121.223 -0.137 0.000 2.042 765 L HA -0.226 4.106 4.340 -0.013 0.000 0.210 765 L C 2.452 179.030 176.870 -0.487 0.000 1.076 765 L CA 1.743 56.382 54.840 -0.334 0.000 0.749 765 L CB -1.091 40.800 42.059 -0.279 0.000 0.893 765 L HN 0.404 nan 8.230 nan 0.000 0.432 766 M N -2.108 117.242 119.600 -0.417 0.000 2.334 766 M HA -0.052 4.420 4.480 -0.013 0.000 0.266 766 M C 1.788 177.622 176.300 -0.776 0.000 1.082 766 M CA 1.245 56.199 55.300 -0.576 0.000 1.141 766 M CB -0.701 31.457 32.600 -0.736 0.000 1.380 766 M HN 0.335 nan 8.290 nan 0.000 0.440 767 H N -1.743 117.112 119.070 -0.358 0.000 2.927 767 H HA 0.208 4.756 4.556 -0.012 0.000 0.255 767 H C 0.099 175.151 175.328 -0.461 0.000 0.974 767 H CA 0.597 56.365 56.048 -0.466 0.000 1.199 767 H CB 0.280 29.691 29.762 -0.586 0.000 1.447 767 H HN 0.543 nan 8.280 nan 0.000 0.467 768 H N -0.319 118.812 119.070 0.102 0.000 2.716 768 H HA 0.209 4.758 4.556 -0.013 0.000 0.230 768 H C -0.877 174.469 175.328 0.029 0.000 1.401 768 H CA -0.504 55.588 56.048 0.074 0.000 1.168 768 H CB 0.481 30.290 29.762 0.079 0.000 1.935 768 H HN -0.071 nan 8.280 nan 0.000 0.538 769 D N 1.423 121.859 120.400 0.059 0.000 2.393 769 D HA 0.108 4.741 4.640 -0.013 0.000 0.232 769 D C 0.926 177.149 176.300 -0.129 0.000 1.192 769 D CA -0.238 53.758 54.000 -0.008 0.000 0.882 769 D CB 0.640 41.409 40.800 -0.051 0.000 1.038 769 D HN 0.402 nan 8.370 nan 0.000 0.499 770 R N 2.320 122.651 120.500 -0.283 0.000 2.235 770 R HA -0.025 4.307 4.340 -0.013 0.000 0.213 770 R C 0.507 176.247 176.300 -0.933 0.000 1.059 770 R CA 0.776 56.490 56.100 -0.643 0.000 0.997 770 R CB 0.182 29.909 30.300 -0.954 0.000 0.884 770 R HN 0.390 nan 8.270 nan 0.000 0.462 771 F N 1.613 121.517 119.950 -0.078 0.000 2.772 771 F HA 0.207 4.726 4.527 -0.012 0.000 0.302 771 F C -0.012 175.659 175.800 -0.215 0.000 1.136 771 F CA -0.914 57.024 58.000 -0.104 0.000 1.322 771 F CB 0.091 39.089 39.000 -0.003 0.000 0.967 771 F HN -0.190 nan 8.300 nan 0.000 0.513 772 K N -0.799 119.371 120.400 -0.384 0.000 4.226 772 K HA -0.210 4.102 4.320 -0.013 0.000 0.274 772 K C 0.785 177.249 176.600 -0.227 0.000 0.782 772 K CA 0.225 56.114 56.287 -0.662 0.000 0.692 772 K CB -1.779 30.117 32.500 -1.006 0.000 1.843 772 K HN 0.308 nan 8.250 nan 0.000 0.420 773 V N 0.920 120.773 119.914 -0.103 0.000 2.287 773 V HA -0.263 3.850 4.120 -0.013 0.000 0.248 773 V C 2.224 178.434 176.094 0.193 0.000 1.053 773 V CA 2.181 64.501 62.300 0.032 0.000 1.027 773 V CB -0.619 31.214 31.823 0.018 0.000 0.646 773 V HN 0.626 nan 8.190 nan 0.000 0.447 774 F N 0.357 120.311 119.950 0.006 0.000 2.161 774 F HA -0.237 4.282 4.527 -0.013 0.000 0.300 774 F C 2.540 178.137 175.800 -0.338 0.000 1.089 774 F CA 0.740 58.687 58.000 -0.089 0.000 1.282 774 F CB -0.436 38.522 39.000 -0.070 0.000 1.010 774 F HN 0.208 nan 8.300 nan 0.000 0.485 775 A N -0.542 122.120 122.820 -0.262 0.000 2.024 775 A HA -0.211 4.102 4.320 -0.013 0.000 0.220 775 A C 1.429 179.015 177.584 0.003 0.000 1.164 775 A CA 1.998 53.812 52.037 -0.372 0.000 0.643 775 A CB -0.467 18.457 19.000 -0.126 0.000 0.806 775 A HN 0.250 nan 8.150 nan 0.000 0.451 776 D N -3.063 117.400 120.400 0.106 0.000 2.398 776 D HA 0.109 4.742 4.640 -0.013 0.000 0.210 776 D C 1.134 177.603 176.300 0.283 0.000 1.094 776 D CA -0.104 54.032 54.000 0.226 0.000 0.839 776 D CB -0.132 40.816 40.800 0.246 0.000 0.963 776 D HN 0.570 nan 8.370 nan 0.000 0.506 777 Y N 2.100 122.487 120.300 0.145 0.000 2.070 777 Y HA -0.239 4.304 4.550 -0.012 0.000 0.280 777 Y C 2.100 178.088 175.900 0.147 0.000 1.148 777 Y CA 1.932 60.128 58.100 0.161 0.000 1.125 777 Y CB 0.175 38.706 38.460 0.119 0.000 0.975 777 Y HN -0.111 nan 8.280 nan 0.000 0.492 778 E N -0.013 120.273 120.200 0.143 0.000 2.049 778 E HA -0.291 4.051 4.350 -0.013 0.000 0.198 778 E C 2.180 178.758 176.600 -0.037 0.000 1.007 778 E CA 1.756 58.164 56.400 0.012 0.000 0.809 778 E CB -0.249 29.552 29.700 0.169 0.000 0.749 778 E HN 0.631 nan 8.360 nan 0.000 0.450 779 E N -0.519 119.730 120.200 0.082 0.000 2.268 779 E HA -0.175 4.168 4.350 -0.013 0.000 0.195 779 E C 1.766 178.355 176.600 -0.019 0.000 0.995 779 E CA 0.384 56.849 56.400 0.107 0.000 0.836 779 E CB 0.016 29.870 29.700 0.256 0.000 0.763 779 E HN 0.241 nan 8.360 nan 0.000 0.491 780 Y N 0.589 120.686 120.300 -0.338 0.000 2.153 780 Y HA -0.183 4.360 4.550 -0.013 0.000 0.289 780 Y C 2.187 177.706 175.900 -0.634 0.000 1.127 780 Y CA 1.505 59.103 58.100 -0.836 0.000 1.131 780 Y CB -0.640 37.389 38.460 -0.717 0.000 0.995 780 Y HN -0.034 nan 8.280 nan 0.000 0.505 781 V N -0.382 119.169 119.914 -0.605 0.000 2.515 781 V HA -0.153 3.959 4.120 -0.013 0.000 0.250 781 V C 2.167 178.043 176.094 -0.364 0.000 1.058 781 V CA 2.196 64.171 62.300 -0.542 0.000 1.064 781 V CB -0.614 30.971 31.823 -0.396 0.000 0.675 781 V HN 0.221 nan 8.190 nan 0.000 0.461 782 K N 0.015 120.255 120.400 -0.266 0.000 2.026 782 K HA -0.101 4.211 4.320 -0.013 0.000 0.208 782 K C 2.284 178.794 176.600 -0.149 0.000 1.048 782 K CA 2.015 58.214 56.287 -0.147 0.000 0.929 782 K CB -1.316 31.143 32.500 -0.068 0.000 0.713 782 K HN 0.660 nan 8.250 nan 0.000 0.439 783 C N 0.847 120.032 119.300 -0.192 0.000 2.425 783 C HA -0.074 4.379 4.460 -0.013 0.000 0.277 783 C C 2.425 177.244 174.990 -0.285 0.000 1.280 783 C CA 0.677 59.610 59.018 -0.142 0.000 1.744 783 C CB -0.697 26.979 27.740 -0.107 0.000 1.989 783 C HN 0.453 nan 8.230 nan 0.000 0.491 784 Q N 0.369 119.866 119.800 -0.505 0.000 2.170 784 Q HA -0.166 4.166 4.340 -0.013 0.000 0.203 784 Q C 1.954 177.767 176.000 -0.310 0.000 0.976 784 Q CA 1.557 57.022 55.803 -0.563 0.000 0.858 784 Q CB -0.350 27.848 28.738 -0.900 0.000 0.907 784 Q HN 0.755 nan 8.270 nan 0.000 0.433 785 E N 0.078 120.153 120.200 -0.209 0.000 2.150 785 E HA -0.113 4.230 4.350 -0.013 0.000 0.193 785 E C 2.047 178.613 176.600 -0.056 0.000 0.985 785 E CA 0.489 56.825 56.400 -0.107 0.000 0.814 785 E CB 0.087 29.742 29.700 -0.076 0.000 0.752 785 E HN 0.234 nan 8.360 nan 0.000 0.466 786 R N 0.372 120.848 120.500 -0.041 0.000 2.115 786 R HA -0.094 4.238 4.340 -0.013 0.000 0.230 786 R C 2.648 178.998 176.300 0.084 0.000 1.111 786 R CA 1.384 57.532 56.100 0.080 0.000 0.976 786 R CB -0.463 29.953 30.300 0.193 0.000 0.870 786 R HN 0.219 nan 8.270 nan 0.000 0.445 787 V N -1.510 118.266 119.914 -0.230 0.000 2.548 787 V HA -0.090 4.022 4.120 -0.013 0.000 0.249 787 V C 1.955 178.085 176.094 0.060 0.000 1.055 787 V CA 1.752 63.848 62.300 -0.339 0.000 1.065 787 V CB -0.029 31.300 31.823 -0.823 0.000 0.681 787 V HN 0.063 nan 8.190 nan 0.000 0.462 788 S N 0.867 116.541 115.700 -0.042 0.000 2.382 788 S HA -0.010 4.453 4.470 -0.013 0.000 0.228 788 S C 2.268 176.925 174.600 0.096 0.000 1.027 788 S CA 1.610 59.805 58.200 -0.010 0.000 0.991 788 S CB -0.594 62.570 63.200 -0.060 0.000 0.823 788 S HN 0.957 nan 8.310 nan 0.000 0.469 789 A N 1.421 124.306 122.820 0.108 0.000 1.877 789 A HA -0.016 4.297 4.320 -0.013 0.000 0.216 789 A C 2.076 179.779 177.584 0.197 0.000 1.186 789 A CA 1.135 53.254 52.037 0.136 0.000 0.620 789 A CB -0.780 18.293 19.000 0.122 0.000 0.822 789 A HN 0.466 nan 8.150 nan 0.000 0.443 790 L N -1.915 119.494 121.223 0.310 0.000 2.201 790 L HA -0.142 4.191 4.340 -0.013 0.000 0.212 790 L C 2.397 179.577 176.870 0.516 0.000 1.105 790 L CA 1.633 56.740 54.840 0.445 0.000 0.775 790 L CB -0.401 42.031 42.059 0.623 0.000 0.913 790 L HN 0.620 nan 8.230 nan 0.000 0.440 791 Y N 0.826 121.229 120.300 0.171 0.000 2.352 791 Y HA -0.230 4.314 4.550 -0.011 0.000 0.292 791 Y C 2.417 178.222 175.900 -0.159 0.000 1.136 791 Y CA 1.467 59.353 58.100 -0.357 0.000 1.227 791 Y CB -0.012 38.022 38.460 -0.709 0.000 0.991 791 Y HN 0.026 nan 8.280 nan 0.000 0.545 792 K N 0.076 120.487 120.400 0.020 0.000 2.442 792 K HA -0.123 4.189 4.320 -0.013 0.000 0.198 792 K C 0.325 176.900 176.600 -0.041 0.000 1.042 792 K CA 0.696 56.986 56.287 0.005 0.000 0.958 792 K CB -0.089 32.466 32.500 0.092 0.000 0.766 792 K HN 0.048 nan 8.250 nan 0.000 0.474 793 N N 0.264 118.958 118.700 -0.011 0.000 2.976 793 N HA 0.139 4.872 4.740 -0.013 0.000 0.255 793 N C -2.438 173.075 175.510 0.004 0.000 1.312 793 N CA -2.224 50.832 53.050 0.010 0.000 0.897 793 N CB 1.021 39.551 38.487 0.071 0.000 1.184 793 N HN -0.184 nan 8.380 nan 0.000 0.497 794 P HA -0.241 nan 4.420 nan 0.000 0.219 794 P C 1.399 178.713 177.300 0.024 0.000 1.158 794 P CA 1.372 64.402 63.100 -0.117 0.000 0.895 794 P CB 0.338 31.943 31.700 -0.158 0.000 0.792 795 R N -0.392 120.120 120.500 0.021 0.000 2.081 795 R HA -0.159 4.174 4.340 -0.013 0.000 0.235 795 R C 1.965 178.309 176.300 0.074 0.000 1.131 795 R CA 1.376 57.501 56.100 0.042 0.000 0.960 795 R CB -0.274 30.041 30.300 0.026 0.000 0.856 795 R HN 0.127 nan 8.270 nan 0.000 0.436 796 E N -0.391 119.865 120.200 0.094 0.000 2.216 796 E HA -0.186 4.157 4.350 -0.013 0.000 0.192 796 E C 1.523 178.207 176.600 0.140 0.000 0.988 796 E CA 0.456 56.916 56.400 0.099 0.000 0.834 796 E CB -0.333 29.423 29.700 0.094 0.000 0.772 796 E HN 0.492 nan 8.360 nan 0.000 0.479 797 W N 2.130 123.433 121.300 0.004 0.000 2.354 797 W HA -0.168 4.484 4.660 -0.014 0.000 0.315 797 W C 1.556 178.089 176.519 0.023 0.000 1.206 797 W CA 2.041 59.406 57.345 0.032 0.000 1.290 797 W CB -0.350 29.104 29.460 -0.010 0.000 1.152 797 W HN 0.027 nan 8.180 nan 0.000 0.489 798 T N 1.131 115.834 114.554 0.247 0.000 2.833 798 T HA -0.179 4.164 4.350 -0.013 0.000 0.269 798 T C 1.815 176.540 174.700 0.042 0.000 1.054 798 T CA 1.546 63.723 62.100 0.127 0.000 1.135 798 T CB -0.293 68.630 68.868 0.091 0.000 0.869 798 T HN 0.182 nan 8.240 nan 0.000 0.466 799 R N 0.216 120.741 120.500 0.043 0.000 2.115 799 R HA 0.184 4.516 4.340 -0.013 0.000 0.226 799 R C 2.461 178.757 176.300 -0.007 0.000 1.100 799 R CA 0.901 57.022 56.100 0.035 0.000 0.980 799 R CB -0.267 30.057 30.300 0.040 0.000 0.875 799 R HN 0.365 nan 8.270 nan 0.000 0.445 800 M N 0.399 119.958 119.600 -0.068 0.000 2.254 800 M HA -0.113 4.360 4.480 -0.013 0.000 0.265 800 M C 1.859 178.073 176.300 -0.142 0.000 1.066 800 M CA 1.235 56.454 55.300 -0.135 0.000 1.123 800 M CB 0.253 32.706 32.600 -0.245 0.000 1.388 800 M HN -0.034 nan 8.290 nan 0.000 0.425 801 V N 0.877 120.697 119.914 -0.156 0.000 2.295 801 V HA -0.307 3.806 4.120 -0.013 0.000 0.246 801 V C 2.186 178.270 176.094 -0.017 0.000 1.049 801 V CA 2.009 64.247 62.300 -0.103 0.000 1.024 801 V CB -0.573 31.220 31.823 -0.050 0.000 0.648 801 V HN 0.499 nan 8.190 nan 0.000 0.447 802 I N -0.554 120.028 120.570 0.020 0.000 2.423 802 I HA -0.277 3.885 4.170 -0.013 0.000 0.254 802 I C 2.643 178.808 176.117 0.080 0.000 1.151 802 I CA 1.428 62.782 61.300 0.091 0.000 1.421 802 I CB -0.290 37.809 38.000 0.165 0.000 1.079 802 I HN 0.182 nan 8.210 nan 0.000 0.431 803 R N 0.718 121.241 120.500 0.039 0.000 2.115 803 R HA -0.046 4.286 4.340 -0.013 0.000 0.226 803 R C 2.020 178.351 176.300 0.052 0.000 1.100 803 R CA 1.060 57.181 56.100 0.036 0.000 0.980 803 R CB -0.179 30.126 30.300 0.008 0.000 0.875 803 R HN 0.423 nan 8.270 nan 0.000 0.445 804 N N -0.190 118.536 118.700 0.042 0.000 2.132 804 N HA -0.076 4.657 4.740 -0.013 0.000 0.187 804 N C 1.794 177.363 175.510 0.098 0.000 1.038 804 N CA 1.417 54.515 53.050 0.079 0.000 0.846 804 N CB -0.034 38.471 38.487 0.030 0.000 1.012 804 N HN 0.120 nan 8.380 nan 0.000 0.429 805 I N 1.851 122.467 120.570 0.076 0.000 2.118 805 I HA -0.276 3.886 4.170 -0.013 0.000 0.241 805 I C 2.399 178.563 176.117 0.080 0.000 1.070 805 I CA 1.220 62.569 61.300 0.081 0.000 1.327 805 I CB -0.356 37.686 38.000 0.070 0.000 1.034 805 I HN 0.100 nan 8.210 nan 0.000 0.405 806 A N -1.194 121.673 122.820 0.077 0.000 2.125 806 A HA -0.178 4.134 4.320 -0.013 0.000 0.219 806 A C 2.200 179.818 177.584 0.055 0.000 1.156 806 A CA 2.107 54.179 52.037 0.059 0.000 0.671 806 A CB -0.579 18.462 19.000 0.067 0.000 0.794 806 A HN 0.412 nan 8.150 nan 0.000 0.459 807 T N -1.100 113.501 114.554 0.079 0.000 3.084 807 T HA 0.129 4.472 4.350 -0.013 0.000 0.270 807 T C 1.529 176.309 174.700 0.133 0.000 1.008 807 T CA 0.707 62.856 62.100 0.083 0.000 0.900 807 T CB -0.360 68.558 68.868 0.084 0.000 1.084 807 T HN 0.621 nan 8.240 nan 0.000 0.538 808 S N -0.735 115.066 115.700 0.168 0.000 2.528 808 S HA 0.165 4.627 4.470 -0.013 0.000 0.219 808 S C 2.337 177.049 174.600 0.188 0.000 0.985 808 S CA 0.620 58.994 58.200 0.291 0.000 0.914 808 S CB -0.440 62.920 63.200 0.267 0.000 0.776 808 S HN 0.441 nan 8.310 nan 0.000 0.526 809 G N 2.982 111.826 108.800 0.074 0.000 2.597 809 G HA2 -0.380 3.572 3.960 -0.013 0.000 0.222 809 G HA3 -0.380 3.572 3.960 -0.013 0.000 0.222 809 G C 1.325 176.181 174.900 -0.074 0.000 1.135 809 G CA 1.303 46.416 45.100 0.022 0.000 0.759 809 G HN 0.586 nan 8.290 nan 0.000 0.595 810 K N -0.022 120.219 120.400 -0.263 0.000 2.360 810 K HA -0.035 4.277 4.320 -0.013 0.000 0.201 810 K C 1.157 177.435 176.600 -0.536 0.000 1.046 810 K CA 0.642 56.644 56.287 -0.474 0.000 0.940 810 K CB -0.268 31.794 32.500 -0.731 0.000 0.748 810 K HN 0.451 nan 8.250 nan 0.000 0.465 811 F N 0.952 120.933 119.950 0.051 0.000 2.663 811 F HA 0.101 4.620 4.527 -0.013 0.000 0.299 811 F C 0.824 176.670 175.800 0.076 0.000 1.143 811 F CA -0.632 57.404 58.000 0.060 0.000 1.387 811 F CB 0.450 39.483 39.000 0.054 0.000 1.019 811 F HN -0.115 nan 8.300 nan 0.000 0.523 812 S N 0.016 115.807 115.700 0.152 0.000 2.562 812 S HA 0.124 4.586 4.470 -0.013 0.000 0.275 812 S C 1.352 176.040 174.600 0.146 0.000 1.281 812 S CA -0.335 57.951 58.200 0.144 0.000 1.045 812 S CB 1.124 64.380 63.200 0.093 0.000 0.962 812 S HN 0.285 nan 8.310 nan 0.000 0.503 813 S N 3.013 118.822 115.700 0.182 0.000 2.507 813 S HA -0.076 4.387 4.470 -0.013 0.000 0.235 813 S C 0.895 175.554 174.600 0.098 0.000 0.988 813 S CA 0.702 59.030 58.200 0.214 0.000 0.944 813 S CB -0.392 63.001 63.200 0.323 0.000 0.762 813 S HN 0.794 nan 8.310 nan 0.000 0.526 814 D N 1.762 122.204 120.400 0.069 0.000 2.144 814 D HA -0.055 4.578 4.640 -0.013 0.000 0.200 814 D C 2.095 178.403 176.300 0.013 0.000 0.978 814 D CA 0.693 54.712 54.000 0.031 0.000 0.833 814 D CB -0.284 40.532 40.800 0.028 0.000 0.961 814 D HN 0.287 nan 8.370 nan 0.000 0.470 815 R N 0.739 121.251 120.500 0.019 0.000 2.066 815 R HA -0.083 4.250 4.340 -0.013 0.000 0.232 815 R C 1.880 178.177 176.300 -0.005 0.000 1.131 815 R CA 1.368 57.465 56.100 -0.004 0.000 0.955 815 R CB -0.667 29.620 30.300 -0.022 0.000 0.851 815 R HN 0.110 nan 8.270 nan 0.000 0.432 816 T N 2.211 116.786 114.554 0.035 0.000 2.652 816 T HA -0.131 4.211 4.350 -0.013 0.000 0.267 816 T C 1.922 176.635 174.700 0.022 0.000 1.039 816 T CA 1.392 63.533 62.100 0.069 0.000 1.153 816 T CB -0.139 68.850 68.868 0.202 0.000 0.863 816 T HN 0.104 nan 8.240 nan 0.000 0.428 817 I N 1.753 122.254 120.570 -0.116 0.000 2.286 817 I HA -0.084 4.078 4.170 -0.013 0.000 0.248 817 I C 2.897 178.974 176.117 -0.067 0.000 1.115 817 I CA 0.861 62.052 61.300 -0.182 0.000 1.392 817 I CB -1.684 36.217 38.000 -0.166 0.000 1.065 817 I HN 0.198 nan 8.210 nan 0.000 0.418 818 A N -0.028 122.770 122.820 -0.036 0.000 1.972 818 A HA -0.228 4.084 4.320 -0.013 0.000 0.219 818 A C 2.267 179.814 177.584 -0.062 0.000 1.169 818 A CA 1.379 53.402 52.037 -0.023 0.000 0.635 818 A CB -0.525 18.465 19.000 -0.015 0.000 0.810 818 A HN 0.500 nan 8.150 nan 0.000 0.446 819 Q N -1.971 117.772 119.800 -0.095 0.000 2.083 819 Q HA -0.140 4.192 4.340 -0.013 0.000 0.198 819 Q C 1.891 177.728 176.000 -0.271 0.000 0.969 819 Q CA 1.493 57.199 55.803 -0.161 0.000 0.838 819 Q CB -0.247 28.382 28.738 -0.182 0.000 0.900 819 Q HN 0.820 nan 8.270 nan 0.000 0.436 820 Y N 0.504 120.520 120.300 -0.473 0.000 2.114 820 Y HA -0.290 4.252 4.550 -0.013 0.000 0.284 820 Y C 2.438 177.798 175.900 -0.900 0.000 1.143 820 Y CA 1.302 58.875 58.100 -0.879 0.000 1.135 820 Y CB -0.498 37.129 38.460 -1.388 0.000 0.980 820 Y HN 0.156 nan 8.280 nan 0.000 0.499 821 A N 0.538 123.145 122.820 -0.354 0.000 1.859 821 A HA -0.281 4.032 4.320 -0.013 0.000 0.217 821 A C 2.268 179.872 177.584 0.034 0.000 1.198 821 A CA 2.433 54.507 52.037 0.062 0.000 0.629 821 A CB -0.710 18.381 19.000 0.152 0.000 0.830 821 A HN 0.456 nan 8.150 nan 0.000 0.446 822 R N -0.623 119.859 120.500 -0.030 0.000 2.062 822 R HA -0.063 4.269 4.340 -0.013 0.000 0.229 822 R C 1.965 178.244 176.300 -0.035 0.000 1.128 822 R CA 1.526 57.617 56.100 -0.016 0.000 0.960 822 R CB -0.322 29.963 30.300 -0.025 0.000 0.855 822 R HN 0.684 nan 8.270 nan 0.000 0.432 823 E N -0.221 119.918 120.200 -0.101 0.000 2.442 823 E HA 0.056 4.399 4.350 -0.013 0.000 0.195 823 E C 1.495 178.045 176.600 -0.083 0.000 1.030 823 E CA 0.563 56.906 56.400 -0.096 0.000 0.869 823 E CB 0.419 30.035 29.700 -0.140 0.000 0.857 823 E HN 0.365 nan 8.360 nan 0.000 0.505 824 I N -1.449 119.040 120.570 -0.134 0.000 3.878 824 I HA 0.023 4.185 4.170 -0.013 0.000 0.273 824 I C 1.371 177.611 176.117 0.206 0.000 1.165 824 I CA -0.112 61.163 61.300 -0.042 0.000 1.360 824 I CB 0.095 37.928 38.000 -0.279 0.000 1.539 824 I HN 0.104 nan 8.210 nan 0.000 0.447 825 W N 1.813 123.205 121.300 0.153 0.000 2.518 825 W HA 0.253 4.906 4.660 -0.012 0.000 0.273 825 W C 1.574 178.133 176.519 0.066 0.000 1.247 825 W CA 1.084 58.501 57.345 0.119 0.000 1.288 825 W CB -1.073 28.443 29.460 0.093 0.000 1.107 825 W HN 0.357 nan 8.180 nan 0.000 0.586 826 G N 0.766 109.708 108.800 0.236 0.000 2.212 826 G HA2 -0.100 3.853 3.960 -0.013 0.000 0.255 826 G HA3 -0.100 3.853 3.960 -0.013 0.000 0.255 826 G C -0.310 174.666 174.900 0.127 0.000 1.062 826 G CA 0.159 45.341 45.100 0.136 0.000 0.815 826 G HN 0.416 nan 8.290 nan 0.000 0.497 827 V N -4.387 115.620 119.914 0.156 0.000 3.040 827 V HA 0.936 5.049 4.120 -0.013 0.000 0.312 827 V C -0.435 175.718 176.094 0.099 0.000 1.115 827 V CA -1.652 60.721 62.300 0.121 0.000 0.998 827 V CB 2.360 34.267 31.823 0.140 0.000 1.042 827 V HN 0.116 nan 8.190 nan 0.000 0.433 828 E N 3.332 123.574 120.200 0.071 0.000 2.133 828 E HA 0.529 4.872 4.350 -0.013 0.000 0.274 828 E C -2.528 174.105 176.600 0.056 0.000 0.930 828 E CA -1.762 54.672 56.400 0.056 0.000 0.770 828 E CB 1.892 31.617 29.700 0.042 0.000 1.104 828 E HN 0.753 nan 8.360 nan 0.000 0.403 829 P HA 0.065 nan 4.420 nan 0.000 0.271 829 P C -0.489 176.836 177.300 0.042 0.000 1.233 829 P CA -0.247 62.884 63.100 0.050 0.000 0.789 829 P CB 0.777 32.502 31.700 0.043 0.000 0.951 830 S N 0.667 116.391 115.700 0.041 0.000 2.603 830 S HA 0.307 4.769 4.470 -0.013 0.000 0.274 830 S C -0.055 174.565 174.600 0.033 0.000 1.168 830 S CA -0.871 57.351 58.200 0.037 0.000 0.963 830 S CB 1.016 64.242 63.200 0.043 0.000 1.078 830 S HN 0.299 nan 8.310 nan 0.000 0.477 831 R N 2.870 123.387 120.500 0.028 0.000 2.978 831 R HA 0.208 4.540 4.340 -0.013 0.000 0.298 831 R C -0.202 176.108 176.300 0.016 0.000 1.296 831 R CA -0.087 56.029 56.100 0.026 0.000 1.181 831 R CB 0.160 30.478 30.300 0.029 0.000 1.348 831 R HN 0.657 nan 8.270 nan 0.000 0.585 832 Q N 0.979 120.787 119.800 0.014 0.000 2.296 832 Q HA 0.204 4.536 4.340 -0.013 0.000 0.257 832 Q C -0.400 175.591 176.000 -0.015 0.000 0.942 832 Q CA -0.493 55.312 55.803 0.003 0.000 0.939 832 Q CB 1.396 30.140 28.738 0.011 0.000 1.198 832 Q HN -0.100 nan 8.270 nan 0.000 0.429 833 R N 1.765 122.250 120.500 -0.025 0.000 2.484 833 R HA 0.030 4.363 4.340 -0.013 0.000 0.293 833 R C -0.492 175.773 176.300 -0.058 0.000 1.023 833 R CA -0.125 55.949 56.100 -0.043 0.000 1.037 833 R CB 0.070 30.345 30.300 -0.043 0.000 0.951 833 R HN 0.416 nan 8.270 nan 0.000 0.418 834 L N 6.664 127.837 121.223 -0.083 0.000 2.461 834 L HA 0.191 4.524 4.340 -0.013 0.000 0.272 834 L C -1.658 175.157 176.870 -0.092 0.000 1.197 834 L CA -1.812 52.949 54.840 -0.131 0.000 0.836 834 L CB 0.459 42.416 42.059 -0.171 0.000 1.105 834 L HN 0.612 nan 8.230 nan 0.000 0.477 835 P HA 0.035 nan 4.420 nan 0.000 0.229 835 P C 0.000 177.280 177.300 -0.034 0.000 1.485 835 P CA 0.680 63.754 63.100 -0.044 0.000 1.217 835 P CB -0.668 31.017 31.700 -0.025 0.000 1.852 836 A N 4.630 127.430 122.820 -0.033 0.000 6.759 836 A HA -0.175 4.137 4.320 -0.013 0.000 0.308 836 A C -1.405 176.169 177.584 -0.016 0.000 2.086 836 A CA 0.474 52.498 52.037 -0.022 0.000 1.123 836 A CB -1.908 17.086 19.000 -0.011 0.000 1.078 836 A HN 0.371 nan 8.150 nan 0.000 0.457 837 P HA 0.183 nan 4.420 nan 0.000 0.244 837 P C 0.102 177.410 177.300 0.014 0.000 1.191 837 P CA 0.559 63.666 63.100 0.012 0.000 0.829 837 P CB -0.347 31.370 31.700 0.029 0.000 1.008 838 D N 1.888 122.295 120.400 0.011 0.000 5.561 838 D HA -0.191 4.442 4.640 -0.013 0.000 0.166 838 D C 1.456 177.762 176.300 0.009 0.000 1.127 838 D CA 0.781 54.787 54.000 0.010 0.000 0.720 838 D CB 0.178 40.982 40.800 0.007 0.000 1.322 838 D HN 0.088 nan 8.370 nan 0.000 0.745 839 E N 2.945 123.149 120.200 0.008 0.000 3.003 839 E HA -0.446 3.897 4.350 -0.013 0.000 0.238 839 E C 0.152 176.754 176.600 0.004 0.000 0.891 839 E CA 2.757 59.159 56.400 0.004 0.000 1.311 839 E CB -0.261 29.439 29.700 0.000 0.000 1.381 839 E HN 0.895 nan 8.360 nan 0.000 0.452 840 K N -0.571 119.831 120.400 0.003 0.000 7.454 840 K HA -0.163 4.150 4.320 -0.013 0.000 0.649 840 K C -0.622 175.978 176.600 -0.000 0.000 2.590 840 K CA 1.244 57.533 56.287 0.003 0.000 1.946 840 K CB -0.664 31.841 32.500 0.008 0.000 2.011 840 K HN 0.333 nan 8.250 nan 0.000 0.289 841 I N 3.398 123.967 120.570 -0.001 0.000 2.642 841 I HA 0.305 4.468 4.170 -0.013 0.000 0.273 841 I C -1.972 174.143 176.117 -0.004 0.000 1.208 841 I CA -1.606 59.691 61.300 -0.005 0.000 1.037 841 I CB 0.417 38.411 38.000 -0.009 0.000 1.253 841 I HN 0.936 nan 8.210 nan 0.000 0.504 842 P HA 0.000 nan 4.420 nan 0.000 0.216 842 P CA 0.000 63.101 63.100 0.001 0.000 0.800 842 P CB 0.000 31.704 31.700 0.007 0.000 0.726