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 1h5u_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 NLXXXXXGGY DATA SEQUENCE IQAVLDRNLA ENISRVLYPN DNFFEGKELR LKQEYFVVAA TLQDIIRRFK DATA SEQUENCE SSXXXXXXXX XTNFDAFPDK VAIQLNDTHP SLAIPELMRV LVDLERLDWD DATA SEQUENCE KAWEVTVKTC AYTNHTVIPE ALERWPVHLL ETLLPRHLQI IYEINQRFLN DATA SEQUENCE RVAAAFPGDV DRLRRMSLVE EGAVKRINMA HLCIAGSHAV NGVARIHSEI DATA SEQUENCE LKKTIFKDFY ELEPHKFQNK TNGITPRRWL VLCNPGLAEI IAERIGEEYI DATA SEQUENCE SDLDQLRKLL SYVDDEAFIR DVAKVKQENK LKFAAYLERE YKVHINPNSL DATA SEQUENCE FDVQVKRIHE YKRQLLNCLH VITLYNRIKK EPNKFVVPRT VMIGGKAAPG DATA SEQUENCE YHMAKMIIKL ITAIGDVVNH DPVVGDRLRV IFLENYRVSL AEKVIPAADL DATA SEQUENCE SEQISTAGTE ASGTGNMKFM LNGALTIGTM DGANVEMAEE AGEENFFIFG DATA SEQUENCE MRVEDVDRLD QRGYNAQEYY DRIPELRQII EQLSSGFFSP KQPDLFKDIV DATA SEQUENCE NMLMHHDRFK VFADYEEYVK CQERVSALYK NPREWTRMVI RNIATSGKFS DATA SEQUENCE SDRTIAQYAR EIWGVEPSRQ RLPAP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 13 I HA 0.000 nan 4.170 nan 0.000 0.288 13 I C 0.000 176.107 176.117 -0.017 0.000 1.063 13 I CA 0.000 61.281 61.300 -0.032 0.000 1.566 13 I CB 0.000 37.972 38.000 -0.047 0.000 1.214 14 S N 0.424 116.118 115.700 -0.009 0.000 2.643 14 S HA 0.137 4.600 4.470 -0.011 0.000 0.278 14 S C -0.653 173.951 174.600 0.006 0.000 0.842 14 S CA -0.223 57.979 58.200 0.003 0.000 1.149 14 S CB 0.815 64.017 63.200 0.005 0.000 1.437 14 S HN 0.645 nan 8.310 nan 0.000 0.448 15 V N 1.702 121.627 119.914 0.018 0.000 2.248 15 V HA 0.431 4.545 4.120 -0.011 0.000 0.309 15 V C 0.860 176.965 176.094 0.017 0.000 1.722 15 V CA 0.397 62.708 62.300 0.019 0.000 1.693 15 V CB -1.000 30.841 31.823 0.031 0.000 1.470 15 V HN 0.657 nan 8.190 nan 0.000 0.518 16 R N 1.813 122.316 120.500 0.006 0.000 2.388 16 R HA 0.509 4.843 4.340 -0.011 0.000 0.247 16 R C 1.074 177.366 176.300 -0.012 0.000 0.931 16 R CA 0.448 56.549 56.100 0.001 0.000 1.082 16 R CB 0.525 30.822 30.300 -0.005 0.000 1.135 16 R HN 0.934 nan 8.270 nan 0.000 0.525 17 G N 0.404 109.195 108.800 -0.014 0.000 2.566 17 G HA2 -0.182 3.771 3.960 -0.011 0.000 0.599 17 G HA3 -0.182 3.771 3.960 -0.011 0.000 0.599 17 G C -1.348 173.538 174.900 -0.025 0.000 1.292 17 G CA -1.101 43.982 45.100 -0.028 0.000 0.922 17 G HN -0.049 nan 8.290 nan 0.000 0.514 18 L N 0.474 121.680 121.223 -0.029 0.000 2.379 18 L HA 0.778 5.112 4.340 -0.011 0.000 0.269 18 L C 1.210 178.067 176.870 -0.022 0.000 1.084 18 L CA 0.022 54.848 54.840 -0.023 0.000 0.802 18 L CB 1.319 43.365 42.059 -0.021 0.000 1.175 18 L HN 1.627 nan 8.230 nan 0.000 0.448 19 A N 1.786 124.596 122.820 -0.017 0.000 3.047 19 A HA 0.603 4.916 4.320 -0.011 0.000 0.337 19 A C 0.589 178.170 177.584 -0.006 0.000 1.143 19 A CA -0.321 51.708 52.037 -0.012 0.000 0.905 19 A CB -0.436 18.556 19.000 -0.014 0.000 1.088 19 A HN 0.758 nan 8.150 nan 0.000 0.488 20 G N -0.035 108.762 108.800 -0.005 0.000 2.491 20 G HA2 0.344 4.298 3.960 -0.011 0.000 0.238 20 G HA3 0.344 4.298 3.960 -0.011 0.000 0.238 20 G C 1.238 176.143 174.900 0.008 0.000 1.277 20 G CA 0.199 45.300 45.100 0.001 0.000 0.851 20 G HN 1.351 nan 8.290 nan 0.000 0.573 21 V N 0.492 120.412 119.914 0.010 0.000 2.343 21 V HA -0.119 3.994 4.120 -0.011 0.000 0.247 21 V C 2.163 178.268 176.094 0.019 0.000 1.051 21 V CA 2.471 64.779 62.300 0.014 0.000 1.036 21 V CB -0.726 31.104 31.823 0.012 0.000 0.654 21 V HN 0.688 nan 8.190 nan 0.000 0.451 22 E N 0.809 121.021 120.200 0.019 0.000 2.107 22 E HA -0.111 4.233 4.350 -0.011 0.000 0.191 22 E C 2.130 178.751 176.600 0.035 0.000 0.982 22 E CA 1.492 57.908 56.400 0.025 0.000 0.809 22 E CB -0.305 29.409 29.700 0.023 0.000 0.756 22 E HN 0.755 nan 8.360 nan 0.000 0.459 23 N N -0.856 117.863 118.700 0.032 0.000 2.120 23 N HA -0.136 4.598 4.740 -0.011 0.000 0.188 23 N C 1.499 177.036 175.510 0.046 0.000 1.024 23 N CA 1.064 54.139 53.050 0.041 0.000 0.852 23 N CB 0.123 38.621 38.487 0.019 0.000 1.003 23 N HN -0.035 nan 8.380 nan 0.000 0.424 24 V N -0.183 119.750 119.914 0.032 0.000 2.515 24 V HA -0.181 3.932 4.120 -0.011 0.000 0.250 24 V C 1.948 178.067 176.094 0.040 0.000 1.058 24 V CA 1.796 64.115 62.300 0.032 0.000 1.064 24 V CB -0.749 31.087 31.823 0.023 0.000 0.675 24 V HN 0.435 nan 8.190 nan 0.000 0.461 25 T N -0.519 114.059 114.554 0.039 0.000 2.777 25 T HA -0.193 4.150 4.350 -0.011 0.000 0.266 25 T C 1.899 176.634 174.700 0.059 0.000 1.040 25 T CA 1.652 63.776 62.100 0.041 0.000 1.141 25 T CB -0.141 68.747 68.868 0.033 0.000 0.868 25 T HN 0.471 nan 8.240 nan 0.000 0.444 26 E N 0.887 121.128 120.200 0.070 0.000 2.051 26 E HA -0.082 4.262 4.350 -0.011 0.000 0.192 26 E C 1.939 178.616 176.600 0.127 0.000 0.991 26 E CA 0.789 57.243 56.400 0.090 0.000 0.799 26 E CB -0.515 29.244 29.700 0.098 0.000 0.748 26 E HN 0.151 nan 8.360 nan 0.000 0.449 27 L N 0.896 122.204 121.223 0.141 0.000 2.042 27 L HA -0.140 4.193 4.340 -0.011 0.000 0.210 27 L C 2.174 179.156 176.870 0.187 0.000 1.076 27 L CA 1.790 56.740 54.840 0.183 0.000 0.749 27 L CB -0.801 41.342 42.059 0.139 0.000 0.893 27 L HN 0.101 nan 8.230 nan 0.000 0.432 28 K N -0.226 120.244 120.400 0.116 0.000 2.026 28 K HA -0.217 4.097 4.320 -0.011 0.000 0.208 28 K C 2.037 178.742 176.600 0.174 0.000 1.048 28 K CA 1.782 58.128 56.287 0.099 0.000 0.929 28 K CB -0.114 32.404 32.500 0.030 0.000 0.713 28 K HN 0.391 nan 8.250 nan 0.000 0.439 29 K N 0.202 120.683 120.400 0.136 0.000 2.148 29 K HA -0.074 4.239 4.320 -0.011 0.000 0.204 29 K C 1.538 178.232 176.600 0.156 0.000 1.050 29 K CA 1.447 57.811 56.287 0.128 0.000 0.942 29 K CB -0.044 32.505 32.500 0.081 0.000 0.724 29 K HN -0.004 nan 8.250 nan 0.000 0.446 30 N N 0.314 119.121 118.700 0.178 0.000 2.270 30 N HA -0.100 4.634 4.740 -0.011 0.000 0.181 30 N C 1.517 177.200 175.510 0.288 0.000 1.016 30 N CA 0.878 54.035 53.050 0.179 0.000 0.870 30 N CB -0.222 38.380 38.487 0.191 0.000 0.979 30 N HN 0.248 nan 8.380 nan 0.000 0.431 31 F N 2.404 122.460 119.950 0.178 0.000 2.102 31 F HA -0.077 4.444 4.527 -0.010 0.000 0.298 31 F C 1.960 177.871 175.800 0.185 0.000 1.105 31 F CA 1.231 59.350 58.000 0.198 0.000 1.239 31 F CB -0.141 38.944 39.000 0.141 0.000 0.991 31 F HN -0.042 nan 8.300 nan 0.000 0.474 32 N N 0.441 119.383 118.700 0.403 0.000 2.244 32 N HA -0.148 4.586 4.740 -0.011 0.000 0.183 32 N C 2.061 177.663 175.510 0.153 0.000 1.016 32 N CA 0.686 53.892 53.050 0.261 0.000 0.866 32 N CB -0.444 38.173 38.487 0.218 0.000 0.980 32 N HN 0.328 nan 8.380 nan 0.000 0.430 33 R N 0.451 121.038 120.500 0.145 0.000 2.073 33 R HA -0.078 4.255 4.340 -0.011 0.000 0.234 33 R C 1.686 178.063 176.300 0.128 0.000 1.134 33 R CA 1.347 57.545 56.100 0.164 0.000 0.952 33 R CB -0.373 29.936 30.300 0.015 0.000 0.850 33 R HN 0.436 nan 8.270 nan 0.000 0.433 34 H N -0.212 118.897 119.070 0.066 0.000 2.357 34 H HA -0.119 4.431 4.556 -0.011 0.000 0.301 34 H C 1.869 177.126 175.328 -0.119 0.000 1.082 34 H CA 1.411 57.428 56.048 -0.053 0.000 1.342 34 H CB -0.001 29.685 29.762 -0.127 0.000 1.389 34 H HN 0.061 nan 8.280 nan 0.000 0.511 35 L N 0.026 121.224 121.223 -0.041 0.000 2.079 35 L HA -0.210 4.123 4.340 -0.011 0.000 0.210 35 L C 2.191 179.043 176.870 -0.030 0.000 1.081 35 L CA 1.882 56.673 54.840 -0.083 0.000 0.752 35 L CB -0.417 41.605 42.059 -0.061 0.000 0.896 35 L HN 0.314 nan 8.230 nan 0.000 0.433 36 H N -1.594 117.406 119.070 -0.116 0.000 2.266 36 H HA -0.063 4.486 4.556 -0.011 0.000 0.308 36 H C 1.825 176.965 175.328 -0.314 0.000 1.057 36 H CA 2.260 58.151 56.048 -0.261 0.000 1.330 36 H CB -0.393 29.123 29.762 -0.409 0.000 1.400 36 H HN 0.274 nan 8.280 nan 0.000 0.503 37 F N -0.146 119.773 119.950 -0.051 0.000 2.259 37 F HA -0.066 4.454 4.527 -0.011 0.000 0.298 37 F C 2.595 178.304 175.800 -0.151 0.000 1.088 37 F CA 1.510 59.430 58.000 -0.132 0.000 1.358 37 F CB -0.410 38.555 39.000 -0.057 0.000 1.040 37 F HN 0.215 nan 8.300 nan 0.000 0.505 38 T N -0.482 114.089 114.554 0.028 0.000 2.939 38 T HA 0.040 4.384 4.350 -0.011 0.000 0.254 38 T C 1.620 176.216 174.700 -0.173 0.000 1.041 38 T CA 0.676 62.721 62.100 -0.092 0.000 1.142 38 T CB -0.052 68.728 68.868 -0.148 0.000 0.874 38 T HN -0.054 nan 8.240 nan 0.000 0.452 39 L N 1.079 122.205 121.223 -0.162 0.000 2.585 39 L HA 0.315 4.648 4.340 -0.011 0.000 0.226 39 L C 0.647 177.428 176.870 -0.148 0.000 1.113 39 L CA 0.197 54.942 54.840 -0.158 0.000 0.876 39 L CB -0.712 41.270 42.059 -0.129 0.000 1.072 39 L HN 0.050 nan 8.230 nan 0.000 0.468 40 V N 0.158 119.959 119.914 -0.188 0.000 5.949 40 V HA -0.295 3.819 4.120 -0.011 0.000 0.287 40 V C 0.537 176.526 176.094 -0.175 0.000 0.603 40 V CA 0.916 63.077 62.300 -0.232 0.000 0.608 40 V CB -2.091 29.625 31.823 -0.180 0.000 0.259 40 V HN 0.409 nan 8.190 nan 0.000 0.742 41 K N 1.244 121.554 120.400 -0.151 0.000 2.466 41 K HA 0.702 5.015 4.320 -0.011 0.000 0.260 41 K C -0.613 175.970 176.600 -0.028 0.000 1.011 41 K CA -0.501 55.733 56.287 -0.089 0.000 0.871 41 K CB 2.904 35.348 32.500 -0.093 0.000 1.404 41 K HN 0.586 nan 8.250 nan 0.000 0.450 42 D N -0.122 120.279 120.400 0.001 0.000 2.547 42 D HA 0.284 4.917 4.640 -0.011 0.000 0.231 42 D C 0.458 176.799 176.300 0.068 0.000 1.099 42 D CA -0.594 53.438 54.000 0.053 0.000 0.901 42 D CB 1.378 42.205 40.800 0.044 0.000 1.478 42 D HN 0.160 nan 8.370 nan 0.000 0.471 43 R N 0.544 121.115 120.500 0.118 0.000 2.332 43 R HA -0.090 4.243 4.340 -0.011 0.000 0.239 43 R C 0.919 177.295 176.300 0.127 0.000 1.160 43 R CA 0.691 56.897 56.100 0.175 0.000 1.020 43 R CB -0.714 29.684 30.300 0.162 0.000 0.859 43 R HN 0.521 nan 8.270 nan 0.000 0.478 44 N N 0.146 118.888 118.700 0.071 0.000 2.424 44 N HA -0.041 4.693 4.740 -0.011 0.000 0.178 44 N C 1.357 176.886 175.510 0.030 0.000 1.060 44 N CA 1.023 54.103 53.050 0.050 0.000 0.901 44 N CB 0.613 39.120 38.487 0.033 0.000 0.979 44 N HN 0.197 nan 8.380 nan 0.000 0.451 45 V N -3.104 116.815 119.914 0.009 0.000 3.398 45 V HA 0.520 4.634 4.120 -0.011 0.000 0.298 45 V C 0.633 176.691 176.094 -0.059 0.000 1.496 45 V CA -0.692 61.599 62.300 -0.015 0.000 1.044 45 V CB -0.152 31.660 31.823 -0.018 0.000 0.880 45 V HN 0.016 nan 8.190 nan 0.000 0.443 46 A N 2.158 124.915 122.820 -0.106 0.000 2.450 46 A HA 0.617 4.930 4.320 -0.011 0.000 0.255 46 A C 0.758 178.126 177.584 -0.359 0.000 1.096 46 A CA 0.723 52.579 52.037 -0.302 0.000 0.778 46 A CB -0.060 18.627 19.000 -0.522 0.000 1.031 46 A HN 0.733 nan 8.150 nan 0.000 0.494 47 T N 0.685 115.057 114.554 -0.303 0.000 2.912 47 T HA 0.530 4.873 4.350 -0.011 0.000 0.280 47 T C -2.121 172.462 174.700 -0.195 0.000 0.989 47 T CA -1.744 60.258 62.100 -0.164 0.000 0.995 47 T CB 1.031 69.868 68.868 -0.053 0.000 1.077 47 T HN 0.282 nan 8.240 nan 0.000 0.531 48 P HA -0.075 nan 4.420 nan 0.000 0.219 48 P C 1.518 178.892 177.300 0.122 0.000 1.146 48 P CA 0.830 64.040 63.100 0.183 0.000 0.808 48 P CB 0.058 31.844 31.700 0.142 0.000 0.779 49 R N -0.064 120.449 120.500 0.022 0.000 2.115 49 R HA -0.110 4.224 4.340 -0.011 0.000 0.230 49 R C 1.619 177.969 176.300 0.084 0.000 1.111 49 R CA 1.474 57.574 56.100 0.001 0.000 0.976 49 R CB -0.585 29.683 30.300 -0.054 0.000 0.870 49 R HN 0.065 nan 8.270 nan 0.000 0.445 50 D N -0.274 120.145 120.400 0.032 0.000 2.097 50 D HA -0.169 4.465 4.640 -0.011 0.000 0.197 50 D C 1.650 177.969 176.300 0.031 0.000 0.984 50 D CA 1.233 55.244 54.000 0.018 0.000 0.826 50 D CB -0.264 40.417 40.800 -0.200 0.000 0.973 50 D HN 0.256 nan 8.370 nan 0.000 0.460 51 Y N 0.216 120.590 120.300 0.124 0.000 2.181 51 Y HA -0.226 4.318 4.550 -0.010 0.000 0.288 51 Y C 2.329 178.339 175.900 0.184 0.000 1.146 51 Y CA 0.402 58.620 58.100 0.197 0.000 1.164 51 Y CB -1.146 37.484 38.460 0.283 0.000 0.982 51 Y HN 0.112 nan 8.280 nan 0.000 0.515 52 Y N -0.632 119.773 120.300 0.175 0.000 2.145 52 Y HA -0.257 4.287 4.550 -0.011 0.000 0.286 52 Y C 2.055 177.959 175.900 0.007 0.000 1.145 52 Y CA 1.210 59.330 58.100 0.033 0.000 1.148 52 Y CB -1.179 37.170 38.460 -0.185 0.000 0.981 52 Y HN 0.077 nan 8.280 nan 0.000 0.507 53 F N 0.071 119.817 119.950 -0.339 0.000 2.216 53 F HA -0.156 4.364 4.527 -0.010 0.000 0.300 53 F C 2.602 178.248 175.800 -0.257 0.000 1.085 53 F CA 0.739 58.492 58.000 -0.410 0.000 1.326 53 F CB -0.456 38.457 39.000 -0.146 0.000 1.027 53 F HN 0.224 nan 8.300 nan 0.000 0.497 54 A N -0.116 122.651 122.820 -0.088 0.000 1.898 54 A HA -0.177 4.137 4.320 -0.011 0.000 0.216 54 A C 1.992 179.460 177.584 -0.193 0.000 1.181 54 A CA 1.385 53.239 52.037 -0.305 0.000 0.620 54 A CB -0.890 17.602 19.000 -0.848 0.000 0.819 54 A HN 0.348 nan 8.150 nan 0.000 0.442 55 L N -0.218 121.012 121.223 0.011 0.000 2.027 55 L HA -0.002 4.331 4.340 -0.011 0.000 0.206 55 L C 2.674 179.575 176.870 0.053 0.000 1.074 55 L CA 2.133 57.113 54.840 0.233 0.000 0.745 55 L CB -0.881 41.382 42.059 0.341 0.000 0.898 55 L HN 0.334 nan 8.230 nan 0.000 0.433 56 A N -1.187 121.527 122.820 -0.177 0.000 1.908 56 A HA -0.301 4.013 4.320 -0.011 0.000 0.218 56 A C 2.148 179.491 177.584 -0.400 0.000 1.181 56 A CA 2.140 53.994 52.037 -0.305 0.000 0.627 56 A CB -1.100 17.468 19.000 -0.720 0.000 0.818 56 A HN 0.677 nan 8.150 nan 0.000 0.445 57 H N -0.827 117.982 119.070 -0.435 0.000 2.389 57 H HA -0.040 4.510 4.556 -0.011 0.000 0.299 57 H C 2.352 177.425 175.328 -0.424 0.000 1.081 57 H CA 1.965 57.654 56.048 -0.597 0.000 1.345 57 H CB -0.236 28.871 29.762 -1.092 0.000 1.393 57 H HN 0.466 nan 8.280 nan 0.000 0.520 58 T N -0.384 114.119 114.554 -0.086 0.000 2.746 58 T HA -0.125 4.218 4.350 -0.011 0.000 0.267 58 T C 2.241 177.100 174.700 0.266 0.000 1.039 58 T CA 1.329 63.544 62.100 0.191 0.000 1.142 58 T CB -0.372 68.683 68.868 0.312 0.000 0.866 58 T HN 0.092 nan 8.240 nan 0.000 0.444 59 V N 1.306 121.360 119.914 0.234 0.000 2.379 59 V HA -0.079 4.035 4.120 -0.011 0.000 0.245 59 V C 2.606 178.882 176.094 0.303 0.000 1.044 59 V CA 1.461 63.946 62.300 0.308 0.000 1.036 59 V CB -0.578 31.415 31.823 0.282 0.000 0.664 59 V HN 0.343 nan 8.190 nan 0.000 0.453 60 R N 0.167 120.786 120.500 0.197 0.000 2.127 60 R HA -0.223 4.110 4.340 -0.011 0.000 0.238 60 R C 1.939 178.318 176.300 0.132 0.000 1.134 60 R CA 1.979 58.182 56.100 0.171 0.000 0.975 60 R CB -0.375 29.855 30.300 -0.116 0.000 0.865 60 R HN 0.477 nan 8.270 nan 0.000 0.447 61 D N -0.253 120.204 120.400 0.094 0.000 2.182 61 D HA -0.166 4.467 4.640 -0.011 0.000 0.201 61 D C 1.509 177.799 176.300 -0.017 0.000 0.986 61 D CA 1.095 55.119 54.000 0.040 0.000 0.847 61 D CB -0.294 40.516 40.800 0.016 0.000 0.942 61 D HN 0.463 nan 8.370 nan 0.000 0.467 62 H N -0.441 118.686 119.070 0.094 0.000 2.559 62 H HA 0.068 4.618 4.556 -0.010 0.000 0.273 62 H C 1.993 177.356 175.328 0.058 0.000 1.000 62 H CA 0.359 56.449 56.048 0.069 0.000 1.195 62 H CB 0.493 30.289 29.762 0.056 0.000 1.368 62 H HN 0.220 nan 8.280 nan 0.000 0.592 63 L N -0.638 120.682 121.223 0.161 0.000 2.253 63 L HA -0.045 4.288 4.340 -0.011 0.000 0.205 63 L C 2.489 179.460 176.870 0.168 0.000 1.078 63 L CA 0.103 55.008 54.840 0.108 0.000 0.805 63 L CB -0.057 42.028 42.059 0.043 0.000 0.963 63 L HN -0.022 nan 8.230 nan 0.000 0.459 64 V N 0.891 120.923 119.914 0.197 0.000 2.233 64 V HA -0.345 3.769 4.120 -0.011 0.000 0.252 64 V C 2.639 178.841 176.094 0.180 0.000 1.063 64 V CA 2.414 64.854 62.300 0.235 0.000 1.032 64 V CB -1.505 30.405 31.823 0.145 0.000 0.645 64 V HN 0.594 nan 8.190 nan 0.000 0.446 65 G N -0.584 108.281 108.800 0.108 0.000 2.459 65 G HA2 -0.287 3.667 3.960 -0.011 0.000 0.217 65 G HA3 -0.287 3.667 3.960 -0.011 0.000 0.217 65 G C 1.712 176.661 174.900 0.082 0.000 1.183 65 G CA 1.094 46.238 45.100 0.072 0.000 0.776 65 G HN 0.475 nan 8.290 nan 0.000 0.552 66 R N -1.454 119.100 120.500 0.090 0.000 2.096 66 R HA -0.084 4.249 4.340 -0.011 0.000 0.235 66 R C 2.272 178.651 176.300 0.132 0.000 1.127 66 R CA 1.205 57.344 56.100 0.066 0.000 0.968 66 R CB -0.368 29.951 30.300 0.032 0.000 0.861 66 R HN 0.486 nan 8.270 nan 0.000 0.440 67 W N 1.418 122.695 121.300 -0.037 0.000 2.355 67 W HA -0.096 4.558 4.660 -0.010 0.000 0.309 67 W C 1.754 178.242 176.519 -0.052 0.000 1.206 67 W CA 0.987 58.305 57.345 -0.044 0.000 1.284 67 W CB -0.653 28.799 29.460 -0.014 0.000 1.145 67 W HN -0.013 nan 8.180 nan 0.000 0.502 68 I N 0.755 121.400 120.570 0.124 0.000 2.226 68 I HA -0.352 3.811 4.170 -0.011 0.000 0.245 68 I C 2.627 178.738 176.117 -0.009 0.000 1.100 68 I CA 1.763 63.051 61.300 -0.020 0.000 1.374 68 I CB -0.475 37.513 38.000 -0.019 0.000 1.057 68 I HN -0.050 nan 8.210 nan 0.000 0.413 69 R N -0.127 120.379 120.500 0.010 0.000 2.090 69 R HA -0.064 4.270 4.340 -0.011 0.000 0.228 69 R C 2.137 178.410 176.300 -0.045 0.000 1.110 69 R CA 1.699 57.794 56.100 -0.008 0.000 0.973 69 R CB -1.276 29.014 30.300 -0.017 0.000 0.869 69 R HN 0.256 nan 8.270 nan 0.000 0.440 70 T N 1.779 116.282 114.554 -0.085 0.000 2.652 70 T HA -0.128 4.215 4.350 -0.011 0.000 0.267 70 T C 1.900 176.359 174.700 -0.401 0.000 1.039 70 T CA 1.354 63.294 62.100 -0.266 0.000 1.153 70 T CB -0.126 68.615 68.868 -0.212 0.000 0.863 70 T HN 0.206 nan 8.240 nan 0.000 0.428 71 Q N 0.733 120.435 119.800 -0.164 0.000 2.124 71 Q HA -0.075 4.259 4.340 -0.011 0.000 0.202 71 Q C 2.362 178.381 176.000 0.032 0.000 0.977 71 Q CA 1.260 57.030 55.803 -0.054 0.000 0.850 71 Q CB -0.571 28.148 28.738 -0.032 0.000 0.901 71 Q HN 0.441 nan 8.270 nan 0.000 0.429 72 Q N 0.144 119.957 119.800 0.022 0.000 2.084 72 Q HA -0.179 4.155 4.340 -0.011 0.000 0.202 72 Q C 1.921 178.021 176.000 0.165 0.000 0.978 72 Q CA 1.936 57.797 55.803 0.097 0.000 0.844 72 Q CB -0.442 28.333 28.738 0.062 0.000 0.898 72 Q HN 0.556 nan 8.270 nan 0.000 0.426 73 H N -0.878 118.177 119.070 -0.024 0.000 2.267 73 H HA -0.187 4.363 4.556 -0.011 0.000 0.297 73 H C 1.309 176.712 175.328 0.126 0.000 1.080 73 H CA 2.361 58.404 56.048 -0.008 0.000 1.278 73 H CB -0.475 29.208 29.762 -0.131 0.000 1.365 73 H HN 0.338 nan 8.280 nan 0.000 0.489 74 Y N -0.870 119.472 120.300 0.071 0.000 2.315 74 Y HA -0.217 4.327 4.550 -0.011 0.000 0.288 74 Y C 2.458 178.389 175.900 0.052 0.000 1.154 74 Y CA 1.054 59.162 58.100 0.013 0.000 1.229 74 Y CB -1.294 37.233 38.460 0.110 0.000 0.980 74 Y HN 0.392 nan 8.280 nan 0.000 0.540 75 Y N 1.192 121.572 120.300 0.134 0.000 2.184 75 Y HA -0.145 4.398 4.550 -0.011 0.000 0.290 75 Y C 2.106 178.019 175.900 0.022 0.000 1.129 75 Y CA 1.657 59.802 58.100 0.075 0.000 1.144 75 Y CB -0.202 38.294 38.460 0.059 0.000 0.995 75 Y HN 0.092 nan 8.280 nan 0.000 0.513 76 E N 0.373 120.532 120.200 -0.068 0.000 2.028 76 E HA -0.227 4.117 4.350 -0.011 0.000 0.191 76 E C 2.125 178.614 176.600 -0.185 0.000 0.988 76 E CA 1.346 57.642 56.400 -0.173 0.000 0.799 76 E CB -0.366 29.314 29.700 -0.034 0.000 0.755 76 E HN 0.416 nan 8.360 nan 0.000 0.447 77 K N 1.010 121.297 120.400 -0.189 0.000 2.217 77 K HA -0.149 4.165 4.320 -0.011 0.000 0.202 77 K C -0.031 176.495 176.600 -0.122 0.000 1.051 77 K CA 0.864 57.042 56.287 -0.181 0.000 0.952 77 K CB 0.041 32.357 32.500 -0.308 0.000 0.736 77 K HN -0.061 nan 8.250 nan 0.000 0.453 78 D N 0.634 120.974 120.400 -0.099 0.000 2.737 78 D HA -0.104 4.529 4.640 -0.011 0.000 0.238 78 D C -2.417 173.851 176.300 -0.054 0.000 1.157 78 D CA 0.198 54.157 54.000 -0.068 0.000 0.694 78 D CB -0.111 40.624 40.800 -0.108 0.000 1.021 78 D HN 0.247 nan 8.370 nan 0.000 0.420 79 P HA 0.125 nan 4.420 nan 0.000 0.277 79 P C -0.189 177.064 177.300 -0.079 0.000 1.271 79 P CA -0.639 62.416 63.100 -0.074 0.000 0.795 79 P CB 0.606 32.242 31.700 -0.106 0.000 1.101 80 K N 0.994 121.349 120.400 -0.074 0.000 2.368 80 K HA 0.107 4.421 4.320 -0.011 0.000 0.282 80 K C -0.171 176.339 176.600 -0.150 0.000 1.035 80 K CA -0.140 56.098 56.287 -0.081 0.000 0.973 80 K CB 0.262 32.730 32.500 -0.053 0.000 0.957 80 K HN 0.249 nan 8.250 nan 0.000 0.474 81 R N 3.658 124.052 120.500 -0.176 0.000 2.368 81 R HA 0.342 4.675 4.340 -0.011 0.000 0.302 81 R C -0.525 175.474 176.300 -0.502 0.000 1.002 81 R CA -0.508 55.398 56.100 -0.323 0.000 0.929 81 R CB 0.864 30.977 30.300 -0.312 0.000 1.073 81 R HN 0.514 nan 8.270 nan 0.000 0.464 82 I N 4.448 124.676 120.570 -0.571 0.000 2.336 82 I HA 0.214 4.378 4.170 -0.011 0.000 0.292 82 I C -0.661 175.116 176.117 -0.567 0.000 0.991 82 I CA -0.739 60.177 61.300 -0.640 0.000 1.227 82 I CB 0.842 38.365 38.000 -0.795 0.000 1.366 82 I HN 0.536 nan 8.210 nan 0.000 0.466 83 Y N 5.897 126.157 120.300 -0.068 0.000 2.345 83 Y HA 0.291 4.835 4.550 -0.010 0.000 0.331 83 Y C -0.344 175.666 175.900 0.183 0.000 0.959 83 Y CA -0.770 57.423 58.100 0.156 0.000 1.204 83 Y CB 1.240 39.762 38.460 0.103 0.000 1.135 83 Y HN 0.391 nan 8.280 nan 0.000 0.477 84 Y N 4.622 125.112 120.300 0.316 0.000 2.504 84 Y HA 0.473 5.017 4.550 -0.010 0.000 0.339 84 Y C -1.195 174.975 175.900 0.449 0.000 0.974 84 Y CA -1.019 57.274 58.100 0.321 0.000 1.232 84 Y CB 0.244 38.893 38.460 0.316 0.000 1.108 84 Y HN 0.518 nan 8.280 nan 0.000 0.509 85 L N 4.811 126.095 121.223 0.102 0.000 2.281 85 L HA 0.445 4.778 4.340 -0.011 0.000 0.285 85 L C -0.081 176.805 176.870 0.027 0.000 1.074 85 L CA 0.230 55.177 54.840 0.177 0.000 0.817 85 L CB 1.152 43.282 42.059 0.118 0.000 1.168 85 L HN 0.571 nan 8.230 nan 0.000 0.434 86 S N 2.545 118.347 115.700 0.169 0.000 2.541 86 S HA 0.497 4.960 4.470 -0.011 0.000 0.271 86 S C 0.142 174.840 174.600 0.162 0.000 1.133 86 S CA -0.533 57.671 58.200 0.007 0.000 0.876 86 S CB 1.014 63.994 63.200 -0.365 0.000 1.105 86 S HN 0.454 nan 8.310 nan 0.000 0.470 87 L N 2.786 124.137 121.223 0.214 0.000 2.591 87 L HA 0.477 4.811 4.340 -0.011 0.000 0.228 87 L C 0.287 177.357 176.870 0.333 0.000 1.133 87 L CA 0.949 55.982 54.840 0.321 0.000 0.880 87 L CB -0.131 42.123 42.059 0.325 0.000 1.033 87 L HN 0.657 nan 8.230 nan 0.000 0.450 88 E N -1.375 118.892 120.200 0.112 0.000 2.292 88 E HA 0.408 4.751 4.350 -0.011 0.000 0.272 88 E C -1.404 175.070 176.600 -0.210 0.000 0.881 88 E CA -0.446 55.997 56.400 0.073 0.000 0.754 88 E CB 1.942 31.658 29.700 0.027 0.000 1.201 88 E HN -0.167 nan 8.360 nan 0.000 0.425 89 F N 2.190 122.251 119.950 0.186 0.000 2.949 89 F HA 0.167 4.687 4.527 -0.011 0.000 0.376 89 F C -0.943 174.953 175.800 0.160 0.000 1.205 89 F CA -0.706 57.397 58.000 0.172 0.000 1.155 89 F CB 0.913 40.010 39.000 0.162 0.000 1.495 89 F HN 0.480 nan 8.300 nan 0.000 0.551 90 Y N 5.045 125.425 120.300 0.132 0.000 2.568 90 Y HA 0.180 4.724 4.550 -0.010 0.000 0.338 90 Y C 1.044 176.976 175.900 0.052 0.000 1.245 90 Y CA -0.840 57.291 58.100 0.052 0.000 1.667 90 Y CB 0.294 38.767 38.460 0.021 0.000 1.568 90 Y HN 0.529 nan 8.280 nan 0.000 0.471 91 M N 1.380 121.118 119.600 0.230 0.000 2.236 91 M HA 0.116 4.589 4.480 -0.011 0.000 0.266 91 M C 1.549 177.831 176.300 -0.030 0.000 1.070 91 M CA 1.125 56.472 55.300 0.077 0.000 1.137 91 M CB -1.242 31.387 32.600 0.049 0.000 1.378 91 M HN 0.667 nan 8.290 nan 0.000 0.426 92 G N 0.949 109.736 108.800 -0.021 0.000 2.598 92 G HA2 -0.263 3.690 3.960 -0.011 0.000 0.244 92 G HA3 -0.263 3.690 3.960 -0.011 0.000 0.244 92 G C -0.379 174.482 174.900 -0.064 0.000 1.302 92 G CA -0.348 44.700 45.100 -0.087 0.000 0.903 92 G HN 0.425 nan 8.290 nan 0.000 0.575 93 R N -0.545 119.901 120.500 -0.091 0.000 2.615 93 R HA 0.551 4.885 4.340 -0.011 0.000 0.270 93 R C 1.620 177.820 176.300 -0.167 0.000 1.081 93 R CA 0.568 56.629 56.100 -0.064 0.000 1.154 93 R CB 0.843 31.106 30.300 -0.061 0.000 1.063 93 R HN 0.890 nan 8.270 nan 0.000 0.519 94 T N 0.169 114.572 114.554 -0.252 0.000 3.043 94 T HA 0.035 4.379 4.350 -0.011 0.000 0.272 94 T C 1.242 175.576 174.700 -0.609 0.000 0.990 94 T CA -0.235 61.539 62.100 -0.542 0.000 0.897 94 T CB 0.179 68.517 68.868 -0.884 0.000 1.111 94 T HN 0.322 nan 8.240 nan 0.000 0.529 95 L N 1.888 122.978 121.223 -0.222 0.000 1.976 95 L HA 0.115 4.448 4.340 -0.011 0.000 0.209 95 L C 2.586 179.434 176.870 -0.036 0.000 1.071 95 L CA 2.238 57.103 54.840 0.042 0.000 0.746 95 L CB -0.969 41.334 42.059 0.405 0.000 0.890 95 L HN 0.380 nan 8.230 nan 0.000 0.432 96 Q N -0.713 119.064 119.800 -0.037 0.000 2.084 96 Q HA -0.256 4.078 4.340 -0.011 0.000 0.202 96 Q C 2.221 178.158 176.000 -0.106 0.000 0.978 96 Q CA 1.852 57.623 55.803 -0.053 0.000 0.844 96 Q CB -0.310 28.391 28.738 -0.061 0.000 0.898 96 Q HN 0.701 nan 8.270 nan 0.000 0.426 97 N N -0.987 117.610 118.700 -0.172 0.000 2.149 97 N HA -0.142 4.592 4.740 -0.011 0.000 0.188 97 N C 1.289 176.699 175.510 -0.167 0.000 1.019 97 N CA 1.728 54.666 53.050 -0.186 0.000 0.857 97 N CB 0.097 38.440 38.487 -0.241 0.000 0.997 97 N HN 0.222 nan 8.380 nan 0.000 0.426 98 T N 1.111 115.535 114.554 -0.217 0.000 2.857 98 T HA -0.013 4.331 4.350 -0.011 0.000 0.266 98 T C 2.054 176.698 174.700 -0.093 0.000 1.048 98 T CA 0.867 62.856 62.100 -0.186 0.000 1.139 98 T CB -0.019 68.694 68.868 -0.259 0.000 0.874 98 T HN 0.256 nan 8.240 nan 0.000 0.455 99 M N 0.593 120.156 119.600 -0.062 0.000 2.117 99 M HA -0.079 4.394 4.480 -0.011 0.000 0.262 99 M C 2.460 178.733 176.300 -0.045 0.000 1.065 99 M CA 1.210 56.487 55.300 -0.038 0.000 1.114 99 M CB -0.643 31.951 32.600 -0.009 0.000 1.361 99 M HN 0.100 nan 8.290 nan 0.000 0.408 100 V N 1.115 121.009 119.914 -0.033 0.000 2.233 100 V HA -0.281 3.832 4.120 -0.011 0.000 0.247 100 V C 1.786 177.902 176.094 0.036 0.000 1.050 100 V CA 1.981 64.290 62.300 0.015 0.000 1.010 100 V CB -0.876 30.959 31.823 0.021 0.000 0.637 100 V HN 0.474 nan 8.190 nan 0.000 0.444 101 N N -0.274 118.439 118.700 0.022 0.000 2.520 101 N HA -0.069 4.664 4.740 -0.011 0.000 0.185 101 N C 1.048 176.468 175.510 -0.150 0.000 1.068 101 N CA 0.775 53.816 53.050 -0.015 0.000 0.911 101 N CB -0.106 38.380 38.487 -0.002 0.000 0.961 101 N HN 0.293 nan 8.380 nan 0.000 0.446 102 L N -0.526 120.625 121.223 -0.121 0.000 2.693 102 L HA 0.406 4.739 4.340 -0.011 0.000 0.235 102 L C 0.606 177.391 176.870 -0.141 0.000 1.127 102 L CA -0.180 54.583 54.840 -0.129 0.000 0.914 102 L CB -0.572 41.430 42.059 -0.095 0.000 1.193 102 L HN 0.088 nan 8.230 nan 0.000 0.502 103 A N -0.487 122.253 122.820 -0.133 0.000 2.869 103 A HA -0.217 4.097 4.320 -0.011 0.000 0.280 103 A C 1.059 178.587 177.584 -0.093 0.000 1.458 103 A CA 0.991 52.962 52.037 -0.110 0.000 0.776 103 A CB -1.951 16.968 19.000 -0.134 0.000 1.028 103 A HN 0.209 nan 8.150 nan 0.000 0.547 104 L N -0.852 120.317 121.223 -0.091 0.000 2.664 104 L HA 0.234 4.567 4.340 -0.011 0.000 0.233 104 L C 1.865 178.705 176.870 -0.051 0.000 1.113 104 L CA 1.592 56.375 54.840 -0.096 0.000 0.896 104 L CB -0.401 41.575 42.059 -0.139 0.000 1.163 104 L HN 0.641 nan 8.230 nan 0.000 0.497 105 E N 0.062 120.241 120.200 -0.034 0.000 2.065 105 E HA -0.280 4.063 4.350 -0.011 0.000 0.201 105 E C 1.673 178.266 176.600 -0.012 0.000 1.016 105 E CA 1.833 58.224 56.400 -0.014 0.000 0.818 105 E CB 0.216 29.910 29.700 -0.011 0.000 0.749 105 E HN 0.379 nan 8.360 nan 0.000 0.453 106 N N -0.328 118.361 118.700 -0.019 0.000 2.216 106 N HA -0.078 4.655 4.740 -0.011 0.000 0.183 106 N C 1.478 176.978 175.510 -0.017 0.000 1.017 106 N CA 1.191 54.230 53.050 -0.019 0.000 0.861 106 N CB -0.380 38.094 38.487 -0.022 0.000 0.986 106 N HN 0.266 nan 8.380 nan 0.000 0.428 107 A N 0.284 123.092 122.820 -0.020 0.000 1.877 107 A HA -0.144 4.169 4.320 -0.011 0.000 0.216 107 A C 2.603 180.187 177.584 -0.001 0.000 1.186 107 A CA 1.364 53.393 52.037 -0.014 0.000 0.620 107 A CB -1.007 17.976 19.000 -0.028 0.000 0.822 107 A HN 0.441 nan 8.150 nan 0.000 0.443 108 C N -0.873 118.428 119.300 0.002 0.000 2.435 108 C HA -0.048 4.405 4.460 -0.011 0.000 0.279 108 C C 2.429 177.429 174.990 0.017 0.000 1.321 108 C CA 1.065 60.097 59.018 0.022 0.000 1.752 108 C CB -1.140 26.627 27.740 0.044 0.000 1.959 108 C HN 0.710 nan 8.230 nan 0.000 0.500 109 D N 0.764 121.172 120.400 0.013 0.000 2.117 109 D HA -0.138 4.496 4.640 -0.011 0.000 0.197 109 D C 2.130 178.449 176.300 0.031 0.000 0.987 109 D CA 1.455 55.465 54.000 0.016 0.000 0.829 109 D CB -0.191 40.608 40.800 -0.002 0.000 0.961 109 D HN 0.462 nan 8.370 nan 0.000 0.460 110 E N 0.247 120.459 120.200 0.020 0.000 2.028 110 E HA -0.055 4.289 4.350 -0.011 0.000 0.191 110 E C 1.915 178.559 176.600 0.073 0.000 0.988 110 E CA 1.655 58.084 56.400 0.049 0.000 0.799 110 E CB -0.674 29.038 29.700 0.020 0.000 0.755 110 E HN 0.199 nan 8.360 nan 0.000 0.447 111 A N -0.044 122.786 122.820 0.017 0.000 1.892 111 A HA -0.248 4.065 4.320 -0.011 0.000 0.218 111 A C 2.518 180.032 177.584 -0.116 0.000 1.188 111 A CA 3.136 55.154 52.037 -0.032 0.000 0.631 111 A CB -1.586 17.398 19.000 -0.026 0.000 0.822 111 A HN 0.543 nan 8.150 nan 0.000 0.447 112 T N -3.825 110.654 114.554 -0.124 0.000 2.867 112 T HA -0.201 4.142 4.350 -0.011 0.000 0.268 112 T C 1.828 176.443 174.700 -0.141 0.000 1.057 112 T CA 1.505 63.468 62.100 -0.227 0.000 1.136 112 T CB -0.564 68.214 68.868 -0.150 0.000 0.874 112 T HN 0.487 nan 8.240 nan 0.000 0.466 113 Y N 2.226 122.448 120.300 -0.129 0.000 2.145 113 Y HA -0.089 4.455 4.550 -0.010 0.000 0.286 113 Y C 2.597 178.437 175.900 -0.100 0.000 1.145 113 Y CA 1.580 59.623 58.100 -0.095 0.000 1.148 113 Y CB -0.533 37.890 38.460 -0.062 0.000 0.981 113 Y HN 0.247 nan 8.280 nan 0.000 0.507 114 Q N -0.899 118.814 119.800 -0.145 0.000 2.291 114 Q HA -0.107 4.227 4.340 -0.011 0.000 0.205 114 Q C 1.424 177.283 176.000 -0.234 0.000 0.970 114 Q CA 0.756 56.436 55.803 -0.205 0.000 0.876 114 Q CB -0.037 28.670 28.738 -0.052 0.000 0.935 114 Q HN 0.347 nan 8.270 nan 0.000 0.455 115 L N -0.741 120.328 121.223 -0.257 0.000 2.591 115 L HA 0.153 4.486 4.340 -0.011 0.000 0.228 115 L C 1.066 177.765 176.870 -0.286 0.000 1.133 115 L CA 1.125 55.800 54.840 -0.276 0.000 0.880 115 L CB -0.415 41.387 42.059 -0.429 0.000 1.033 115 L HN 0.315 nan 8.230 nan 0.000 0.450 116 G N -0.151 108.461 108.800 -0.313 0.000 2.160 116 G HA2 -0.255 3.699 3.960 -0.011 0.000 0.244 116 G HA3 -0.255 3.699 3.960 -0.011 0.000 0.244 116 G C 0.095 174.851 174.900 -0.241 0.000 1.022 116 G CA 0.446 45.374 45.100 -0.286 0.000 0.741 116 G HN 0.312 nan 8.290 nan 0.000 0.508 117 L N -0.603 120.476 121.223 -0.241 0.000 2.323 117 L HA 0.673 5.007 4.340 -0.011 0.000 0.265 117 L C -0.521 176.309 176.870 -0.067 0.000 1.012 117 L CA -1.229 53.501 54.840 -0.183 0.000 0.820 117 L CB 1.808 43.699 42.059 -0.281 0.000 1.334 117 L HN 0.060 nan 8.230 nan 0.000 0.427 118 D N 1.405 121.796 120.400 -0.014 0.000 2.373 118 D HA 0.200 4.834 4.640 -0.011 0.000 0.227 118 D C 0.576 176.904 176.300 0.046 0.000 1.091 118 D CA -0.297 53.724 54.000 0.035 0.000 0.840 118 D CB 1.581 42.407 40.800 0.043 0.000 1.060 118 D HN 0.511 nan 8.370 nan 0.000 0.502 119 M N 3.052 122.682 119.600 0.050 0.000 2.202 119 M HA -0.138 4.336 4.480 -0.011 0.000 0.262 119 M C 1.372 177.715 176.300 0.073 0.000 1.063 119 M CA 1.533 56.874 55.300 0.068 0.000 1.097 119 M CB 0.219 32.855 32.600 0.059 0.000 1.382 119 M HN 0.420 nan 8.290 nan 0.000 0.413 120 E N -0.249 119.984 120.200 0.055 0.000 2.106 120 E HA -0.237 4.106 4.350 -0.011 0.000 0.192 120 E C 1.839 178.468 176.600 0.049 0.000 0.984 120 E CA 1.235 57.664 56.400 0.048 0.000 0.806 120 E CB -0.045 29.680 29.700 0.042 0.000 0.750 120 E HN 0.616 nan 8.360 nan 0.000 0.458 121 E N 0.163 120.395 120.200 0.054 0.000 2.106 121 E HA -0.183 4.161 4.350 -0.011 0.000 0.192 121 E C 1.875 178.507 176.600 0.053 0.000 0.984 121 E CA 0.485 56.915 56.400 0.050 0.000 0.806 121 E CB 0.211 29.944 29.700 0.054 0.000 0.750 121 E HN 0.085 nan 8.360 nan 0.000 0.458 122 L N 1.222 122.499 121.223 0.090 0.000 2.093 122 L HA -0.112 4.222 4.340 -0.011 0.000 0.208 122 L C 2.053 178.966 176.870 0.072 0.000 1.085 122 L CA 1.601 56.525 54.840 0.139 0.000 0.755 122 L CB -0.601 41.599 42.059 0.236 0.000 0.904 122 L HN 0.106 nan 8.230 nan 0.000 0.435 123 E N -0.658 119.582 120.200 0.067 0.000 2.153 123 E HA -0.200 4.143 4.350 -0.011 0.000 0.194 123 E C 1.805 178.351 176.600 -0.091 0.000 0.988 123 E CA 0.831 57.241 56.400 0.016 0.000 0.811 123 E CB 0.076 29.798 29.700 0.037 0.000 0.746 123 E HN 0.372 nan 8.360 nan 0.000 0.466 124 E N 0.048 120.211 120.200 -0.061 0.000 2.409 124 E HA -0.114 4.230 4.350 -0.011 0.000 0.198 124 E C 1.749 178.264 176.600 -0.143 0.000 1.024 124 E CA 0.538 56.900 56.400 -0.064 0.000 0.861 124 E CB 0.078 29.776 29.700 -0.004 0.000 0.788 124 E HN 0.415 nan 8.360 nan 0.000 0.521 125 I N 0.734 121.149 120.570 -0.259 0.000 2.716 125 I HA -0.087 4.076 4.170 -0.011 0.000 0.259 125 I C 1.353 177.127 176.117 -0.572 0.000 1.172 125 I CA 0.175 61.248 61.300 -0.378 0.000 1.478 125 I CB 0.150 37.919 38.000 -0.385 0.000 1.104 125 I HN -0.035 nan 8.210 nan 0.000 0.439 126 E N 2.262 122.018 120.200 -0.741 0.000 2.414 126 E HA -0.057 4.286 4.350 -0.011 0.000 0.263 126 E C -0.049 176.451 176.600 -0.167 0.000 1.000 126 E CA -0.139 55.907 56.400 -0.590 0.000 0.914 126 E CB 0.640 30.120 29.700 -0.367 0.000 0.948 126 E HN 0.075 nan 8.360 nan 0.000 0.444 127 E N 2.720 122.922 120.200 0.003 0.000 2.331 127 E HA 0.100 4.444 4.350 -0.011 0.000 0.272 127 E C -1.235 175.476 176.600 0.184 0.000 1.036 127 E CA -0.371 56.111 56.400 0.137 0.000 0.864 127 E CB 0.883 30.748 29.700 0.276 0.000 1.035 127 E HN 0.363 nan 8.360 nan 0.000 0.408 128 D N 1.581 122.061 120.400 0.134 0.000 2.382 128 D HA 0.278 4.912 4.640 -0.011 0.000 0.245 128 D C -0.824 175.518 176.300 0.070 0.000 1.120 128 D CA 0.202 54.252 54.000 0.082 0.000 0.890 128 D CB 1.026 41.851 40.800 0.042 0.000 1.201 128 D HN 0.425 nan 8.370 nan 0.000 0.433 129 A N 2.473 125.289 122.820 -0.007 0.000 2.923 129 A HA 0.461 4.774 4.320 -0.011 0.000 0.306 129 A C 0.986 178.422 177.584 -0.248 0.000 1.542 129 A CA -0.511 51.331 52.037 -0.324 0.000 1.225 129 A CB -0.338 18.578 19.000 -0.141 0.000 1.147 129 A HN 0.531 nan 8.150 nan 0.000 0.542 130 G N 1.593 110.220 108.800 -0.288 0.000 3.541 130 G HA2 0.389 4.343 3.960 -0.011 0.000 0.253 130 G HA3 0.389 4.343 3.960 -0.011 0.000 0.253 130 G C 0.317 175.017 174.900 -0.334 0.000 1.017 130 G CA -0.288 44.738 45.100 -0.124 0.000 1.832 130 G HN 0.682 nan 8.290 nan 0.000 0.649 131 L N 1.483 122.559 121.223 -0.244 0.000 2.955 131 L HA 0.391 4.724 4.340 -0.011 0.000 0.238 131 L C 1.008 177.805 176.870 -0.121 0.000 1.359 131 L CA -0.239 54.541 54.840 -0.100 0.000 1.214 131 L CB -0.456 41.679 42.059 0.126 0.000 1.600 131 L HN 0.322 nan 8.230 nan 0.000 0.442 132 G N -1.125 107.375 108.800 -0.499 0.000 2.646 132 G HA2 0.188 4.141 3.960 -0.011 0.000 0.291 132 G HA3 0.188 4.141 3.960 -0.011 0.000 0.291 132 G C -0.177 174.232 174.900 -0.819 0.000 1.445 132 G CA -0.470 44.295 45.100 -0.558 0.000 0.814 132 G HN -0.047 nan 8.290 nan 0.000 0.495 133 N N -0.778 117.686 118.700 -0.394 0.000 2.439 133 N HA 0.216 4.950 4.740 -0.011 0.000 0.176 133 N C 1.167 176.663 175.510 -0.022 0.000 1.029 133 N CA 1.320 54.244 53.050 -0.210 0.000 0.886 133 N CB 1.258 39.734 38.487 -0.018 0.000 1.057 133 N HN 0.850 nan 8.380 nan 0.000 0.437 134 G N -0.666 108.201 108.800 0.112 0.000 2.825 134 G HA2 0.182 4.135 3.960 -0.011 0.000 0.100 134 G HA3 0.182 4.135 3.960 -0.011 0.000 0.100 134 G C 0.744 175.781 174.900 0.228 0.000 1.195 134 G CA 0.226 45.495 45.100 0.282 0.000 1.317 134 G HN 0.153 nan 8.290 nan 0.000 0.632 135 G N 0.455 109.333 108.800 0.130 0.000 2.476 135 G HA2 -0.130 3.824 3.960 -0.011 0.000 0.218 135 G HA3 -0.130 3.824 3.960 -0.011 0.000 0.218 135 G C 1.897 176.801 174.900 0.005 0.000 1.164 135 G CA 1.571 46.707 45.100 0.060 0.000 0.768 135 G HN 0.810 nan 8.290 nan 0.000 0.560 136 L N 0.611 121.808 121.223 -0.042 0.000 2.046 136 L HA 0.070 4.404 4.340 -0.011 0.000 0.208 136 L C 2.850 179.654 176.870 -0.110 0.000 1.077 136 L CA 1.987 56.709 54.840 -0.196 0.000 0.747 136 L CB -0.550 41.350 42.059 -0.264 0.000 0.896 136 L HN 0.252 nan 8.230 nan 0.000 0.432 137 G N -0.715 108.082 108.800 -0.005 0.000 2.408 137 G HA2 -0.296 3.658 3.960 -0.011 0.000 0.217 137 G HA3 -0.296 3.658 3.960 -0.011 0.000 0.217 137 G C 1.632 176.611 174.900 0.131 0.000 1.150 137 G CA 0.657 45.779 45.100 0.037 0.000 0.776 137 G HN 0.298 nan 8.290 nan 0.000 0.542 138 R N -0.082 120.528 120.500 0.183 0.000 2.148 138 R HA 0.169 4.503 4.340 -0.011 0.000 0.223 138 R C 2.227 178.545 176.300 0.029 0.000 1.088 138 R CA 0.621 56.805 56.100 0.140 0.000 0.985 138 R CB -0.701 29.649 30.300 0.084 0.000 0.880 138 R HN 0.334 nan 8.270 nan 0.000 0.451 139 L N 0.006 121.176 121.223 -0.089 0.000 2.056 139 L HA 0.068 4.402 4.340 -0.011 0.000 0.207 139 L C 2.052 178.646 176.870 -0.460 0.000 1.078 139 L CA 2.064 56.707 54.840 -0.328 0.000 0.749 139 L CB -0.782 41.040 42.059 -0.396 0.000 0.901 139 L HN 0.231 nan 8.230 nan 0.000 0.433 140 A N -0.547 122.140 122.820 -0.222 0.000 1.933 140 A HA -0.138 4.176 4.320 -0.011 0.000 0.218 140 A C 2.431 180.090 177.584 0.126 0.000 1.175 140 A CA 1.814 53.802 52.037 -0.083 0.000 0.628 140 A CB -1.102 17.804 19.000 -0.156 0.000 0.814 140 A HN 0.563 nan 8.150 nan 0.000 0.444 141 A N -1.131 121.791 122.820 0.170 0.000 1.898 141 A HA -0.139 4.174 4.320 -0.011 0.000 0.216 141 A C 2.304 179.979 177.584 0.152 0.000 1.181 141 A CA 1.594 53.759 52.037 0.214 0.000 0.620 141 A CB -1.236 17.875 19.000 0.187 0.000 0.819 141 A HN 0.586 nan 8.150 nan 0.000 0.442 142 C N -1.486 117.902 119.300 0.146 0.000 2.425 142 C HA -0.053 4.400 4.460 -0.011 0.000 0.277 142 C C 2.422 177.585 174.990 0.288 0.000 1.280 142 C CA 0.589 59.730 59.018 0.205 0.000 1.744 142 C CB -1.598 26.284 27.740 0.237 0.000 1.989 142 C HN 0.603 nan 8.230 nan 0.000 0.491 143 F N 0.432 120.376 119.950 -0.010 0.000 2.134 143 F HA -0.070 4.451 4.527 -0.011 0.000 0.299 143 F C 2.115 177.864 175.800 -0.086 0.000 1.097 143 F CA 1.020 58.960 58.000 -0.101 0.000 1.264 143 F CB -1.339 37.467 39.000 -0.324 0.000 1.001 143 F HN 0.091 nan 8.300 nan 0.000 0.479 144 L N 0.323 121.635 121.223 0.148 0.000 2.012 144 L HA -0.234 4.099 4.340 -0.011 0.000 0.210 144 L C 2.389 179.279 176.870 0.034 0.000 1.073 144 L CA 1.870 56.752 54.840 0.071 0.000 0.748 144 L CB -1.194 40.916 42.059 0.085 0.000 0.891 144 L HN 0.187 nan 8.230 nan 0.000 0.431 145 D N -1.406 119.023 120.400 0.049 0.000 2.117 145 D HA -0.163 4.470 4.640 -0.011 0.000 0.197 145 D C 1.914 178.234 176.300 0.034 0.000 0.987 145 D CA 1.487 55.500 54.000 0.022 0.000 0.829 145 D CB 0.457 41.268 40.800 0.018 0.000 0.961 145 D HN 0.304 nan 8.370 nan 0.000 0.460 146 S N -0.075 115.661 115.700 0.060 0.000 2.383 146 S HA -0.071 4.393 4.470 -0.011 0.000 0.227 146 S C 2.119 176.733 174.600 0.023 0.000 1.026 146 S CA 0.728 58.954 58.200 0.043 0.000 0.981 146 S CB -0.104 63.124 63.200 0.046 0.000 0.818 146 S HN 0.335 nan 8.310 nan 0.000 0.472 147 M N 0.911 120.518 119.600 0.012 0.000 2.159 147 M HA -0.103 4.370 4.480 -0.011 0.000 0.263 147 M C 2.380 178.686 176.300 0.010 0.000 1.063 147 M CA 1.387 56.691 55.300 0.008 0.000 1.110 147 M CB -0.450 32.139 32.600 -0.020 0.000 1.374 147 M HN 0.398 nan 8.290 nan 0.000 0.411 148 A N -0.465 122.359 122.820 0.006 0.000 1.897 148 A HA -0.095 4.219 4.320 -0.011 0.000 0.215 148 A C 2.140 179.741 177.584 0.028 0.000 1.181 148 A CA 1.814 53.857 52.037 0.010 0.000 0.620 148 A CB -0.956 18.032 19.000 -0.020 0.000 0.821 148 A HN 0.395 nan 8.150 nan 0.000 0.443 149 T N 0.282 114.858 114.554 0.036 0.000 2.915 149 T HA 0.026 4.369 4.350 -0.011 0.000 0.269 149 T C 1.263 175.995 174.700 0.052 0.000 1.071 149 T CA 0.958 63.093 62.100 0.058 0.000 1.132 149 T CB -0.249 68.663 68.868 0.073 0.000 0.878 149 T HN 0.323 nan 8.240 nan 0.000 0.479 150 L N 0.493 121.743 121.223 0.045 0.000 2.653 150 L HA 0.301 4.634 4.340 -0.011 0.000 0.231 150 L C 1.616 178.519 176.870 0.055 0.000 1.153 150 L CA -0.116 54.752 54.840 0.047 0.000 0.933 150 L CB -0.388 41.697 42.059 0.043 0.000 1.175 150 L HN 0.382 nan 8.230 nan 0.000 0.473 151 G N 1.150 109.988 108.800 0.063 0.000 2.283 151 G HA2 -0.292 3.662 3.960 -0.011 0.000 0.280 151 G HA3 -0.292 3.662 3.960 -0.011 0.000 0.280 151 G C 0.147 175.100 174.900 0.089 0.000 1.029 151 G CA 0.122 45.279 45.100 0.095 0.000 0.840 151 G HN 0.297 nan 8.290 nan 0.000 0.505 152 L N -0.134 121.112 121.223 0.038 0.000 2.350 152 L HA 0.597 4.930 4.340 -0.011 0.000 0.275 152 L C 1.174 177.938 176.870 -0.178 0.000 1.099 152 L CA -0.356 54.459 54.840 -0.042 0.000 0.808 152 L CB 1.609 43.658 42.059 -0.017 0.000 1.149 152 L HN 0.251 nan 8.230 nan 0.000 0.442 153 A N 3.222 125.794 122.820 -0.414 0.000 2.990 153 A HA 0.568 4.882 4.320 -0.011 0.000 0.282 153 A C 0.271 177.557 177.584 -0.497 0.000 1.688 153 A CA -0.178 51.348 52.037 -0.852 0.000 1.391 153 A CB -0.576 17.788 19.000 -1.061 0.000 1.112 153 A HN 0.702 nan 8.150 nan 0.000 0.588 154 A N 1.564 124.145 122.820 -0.399 0.000 2.340 154 A HA 0.805 5.118 4.320 -0.011 0.000 0.331 154 A C -1.006 176.368 177.584 -0.349 0.000 1.140 154 A CA -0.473 51.385 52.037 -0.299 0.000 0.801 154 A CB 0.795 19.669 19.000 -0.210 0.000 1.234 154 A HN 0.633 nan 8.150 nan 0.000 0.469 155 Y N 0.184 120.415 120.300 -0.115 0.000 2.391 155 Y HA 0.544 5.088 4.550 -0.010 0.000 0.341 155 Y C 0.824 176.786 175.900 0.103 0.000 0.965 155 Y CA -0.585 57.506 58.100 -0.015 0.000 1.067 155 Y CB 2.499 41.014 38.460 0.092 0.000 1.199 155 Y HN 0.830 nan 8.280 nan 0.000 0.450 156 G N 2.216 111.080 108.800 0.105 0.000 2.322 156 G HA2 0.468 4.421 3.960 -0.011 0.000 0.309 156 G HA3 0.468 4.421 3.960 -0.011 0.000 0.309 156 G C -1.792 173.122 174.900 0.024 0.000 1.121 156 G CA -0.290 44.926 45.100 0.194 0.000 0.886 156 G HN 0.509 nan 8.290 nan 0.000 0.447 157 Y N 1.123 121.660 120.300 0.395 0.000 2.341 157 Y HA 0.642 5.186 4.550 -0.011 0.000 0.338 157 Y C 0.782 176.990 175.900 0.512 0.000 0.965 157 Y CA 0.205 58.502 58.100 0.328 0.000 1.108 157 Y CB 2.639 41.316 38.460 0.362 0.000 1.180 157 Y HN 0.857 nan 8.280 nan 0.000 0.458 158 G N 2.351 111.481 108.800 0.551 0.000 2.753 158 G HA2 0.589 4.543 3.960 -0.011 0.000 0.303 158 G HA3 0.589 4.543 3.960 -0.011 0.000 0.303 158 G C -1.755 173.398 174.900 0.421 0.000 1.242 158 G CA -0.820 44.634 45.100 0.590 0.000 0.810 158 G HN 0.431 nan 8.290 nan 0.000 0.515 159 I N 0.587 121.308 120.570 0.251 0.000 2.441 159 I HA 0.435 4.598 4.170 -0.011 0.000 0.295 159 I C 0.203 176.228 176.117 -0.154 0.000 0.994 159 I CA -0.741 60.587 61.300 0.046 0.000 1.144 159 I CB 2.196 40.043 38.000 -0.255 0.000 1.314 159 I HN 0.362 nan 8.210 nan 0.000 0.445 160 R N 6.264 126.769 120.500 0.009 0.000 2.408 160 R HA 0.258 4.592 4.340 -0.011 0.000 0.308 160 R C -1.376 174.969 176.300 0.075 0.000 1.210 160 R CA -0.435 55.705 56.100 0.067 0.000 1.115 160 R CB 0.055 30.381 30.300 0.043 0.000 1.127 160 R HN 0.401 nan 8.270 nan 0.000 0.523 161 Y N 2.060 122.525 120.300 0.275 0.000 2.425 161 Y HA -0.011 4.533 4.550 -0.011 0.000 0.331 161 Y C 1.433 177.519 175.900 0.310 0.000 1.157 161 Y CA -0.153 58.099 58.100 0.253 0.000 1.372 161 Y CB 1.011 39.601 38.460 0.216 0.000 1.253 161 Y HN 0.573 nan 8.280 nan 0.000 0.536 162 E N 1.440 121.817 120.200 0.295 0.000 2.371 162 E HA 0.007 4.350 4.350 -0.011 0.000 0.194 162 E C -0.745 175.769 176.600 -0.142 0.000 1.012 162 E CA 0.571 56.973 56.400 0.003 0.000 0.860 162 E CB 0.084 29.604 29.700 -0.300 0.000 0.811 162 E HN 0.421 nan 8.360 nan 0.000 0.502 163 F N 1.098 121.293 119.950 0.408 0.000 2.496 163 F HA 0.459 4.979 4.527 -0.011 0.000 0.341 163 F C 0.879 176.776 175.800 0.162 0.000 1.134 163 F CA -1.090 57.092 58.000 0.304 0.000 0.968 163 F CB 2.068 41.175 39.000 0.179 0.000 1.205 163 F HN -0.084 nan 8.300 nan 0.000 0.436 164 G N 2.013 110.927 108.800 0.191 0.000 2.582 164 G HA2 0.312 4.266 3.960 -0.011 0.000 0.232 164 G HA3 0.312 4.266 3.960 -0.011 0.000 0.232 164 G C -0.520 174.345 174.900 -0.059 0.000 1.458 164 G CA -0.645 44.409 45.100 -0.077 0.000 1.062 164 G HN 0.501 nan 8.290 nan 0.000 0.566 165 I N 1.144 121.606 120.570 -0.179 0.000 2.683 165 I HA 0.224 4.388 4.170 -0.011 0.000 0.286 165 I C 0.526 176.565 176.117 -0.130 0.000 1.175 165 I CA -1.220 59.955 61.300 -0.209 0.000 1.429 165 I CB -0.344 37.438 38.000 -0.364 0.000 1.371 165 I HN 0.326 nan 8.210 nan 0.000 0.569 166 F N 6.483 126.445 119.950 0.020 0.000 2.589 166 F HA 0.234 4.754 4.527 -0.010 0.000 0.352 166 F C 0.446 176.296 175.800 0.084 0.000 1.168 166 F CA -0.476 57.557 58.000 0.055 0.000 1.353 166 F CB -0.266 38.752 39.000 0.030 0.000 1.116 166 F HN 0.435 nan 8.300 nan 0.000 0.608 167 N N 2.427 121.307 118.700 0.300 0.000 2.488 167 N HA 0.062 4.796 4.740 -0.011 0.000 0.274 167 N C -0.841 174.900 175.510 0.385 0.000 1.111 167 N CA -0.294 52.894 53.050 0.230 0.000 0.974 167 N CB 1.194 39.810 38.487 0.215 0.000 1.089 167 N HN 0.749 nan 8.380 nan 0.000 0.465 168 Q N 2.386 122.370 119.800 0.308 0.000 2.274 168 Q HA 0.190 4.523 4.340 -0.011 0.000 0.256 168 Q C -0.925 175.247 176.000 0.286 0.000 0.927 168 Q CA -0.209 55.827 55.803 0.389 0.000 0.939 168 Q CB 0.729 29.687 28.738 0.367 0.000 1.201 168 Q HN 0.277 nan 8.270 nan 0.000 0.426 169 K N 4.327 124.876 120.400 0.249 0.000 2.324 169 K HA 0.451 4.765 4.320 -0.011 0.000 0.253 169 K C -0.855 175.846 176.600 0.169 0.000 0.932 169 K CA -0.945 55.460 56.287 0.198 0.000 0.799 169 K CB 1.589 34.185 32.500 0.159 0.000 1.154 169 K HN 0.602 nan 8.250 nan 0.000 0.425 170 I N 2.218 122.881 120.570 0.155 0.000 2.312 170 I HA 0.169 4.333 4.170 -0.011 0.000 0.290 170 I C -0.087 176.093 176.117 0.104 0.000 1.008 170 I CA -0.714 60.648 61.300 0.103 0.000 1.226 170 I CB 0.853 38.895 38.000 0.071 0.000 1.371 170 I HN 0.527 nan 8.210 nan 0.000 0.468 171 C N 5.048 124.422 119.300 0.123 0.000 2.322 171 C HA 0.620 5.074 4.460 -0.011 0.000 0.324 171 C C 1.141 176.247 174.990 0.194 0.000 1.249 171 C CA 0.244 59.341 59.018 0.132 0.000 1.453 171 C CB -0.078 27.732 27.740 0.117 0.000 2.145 171 C HN 1.094 nan 8.230 nan 0.000 0.466 172 G N 3.857 112.742 108.800 0.141 0.000 2.225 172 G HA2 0.055 4.008 3.960 -0.011 0.000 0.267 172 G HA3 0.055 4.008 3.960 -0.011 0.000 0.267 172 G C 1.164 176.093 174.900 0.049 0.000 1.024 172 G CA 1.114 46.311 45.100 0.162 0.000 0.784 172 G HN 2.517 nan 8.290 nan 0.000 0.507 173 G N -2.959 105.810 108.800 -0.050 0.000 2.179 173 G HA2 -0.284 3.669 3.960 -0.011 0.000 0.260 173 G HA3 -0.284 3.669 3.960 -0.011 0.000 0.260 173 G C 0.353 175.015 174.900 -0.397 0.000 0.977 173 G CA 0.658 45.603 45.100 -0.258 0.000 0.641 173 G HN 1.196 nan 8.290 nan 0.000 0.533 174 W N 0.722 121.973 121.300 -0.082 0.000 2.516 174 W HA 0.666 5.320 4.660 -0.010 0.000 0.343 174 W C 0.619 177.088 176.519 -0.084 0.000 1.094 174 W CA -0.850 56.439 57.345 -0.093 0.000 1.250 174 W CB 0.822 30.245 29.460 -0.062 0.000 1.308 174 W HN 0.262 nan 8.180 nan 0.000 0.588 175 Q N 2.802 122.705 119.800 0.171 0.000 2.314 175 Q HA 0.316 4.649 4.340 -0.011 0.000 0.258 175 Q C -0.685 175.377 176.000 0.103 0.000 0.954 175 Q CA 0.011 55.881 55.803 0.112 0.000 0.890 175 Q CB 0.638 29.433 28.738 0.095 0.000 1.210 175 Q HN 0.311 nan 8.270 nan 0.000 0.410 176 M N 3.080 122.737 119.600 0.095 0.000 2.393 176 M HA 0.384 4.858 4.480 -0.011 0.000 0.316 176 M C -1.188 175.128 176.300 0.027 0.000 1.087 176 M CA -0.661 54.663 55.300 0.040 0.000 0.937 176 M CB 1.813 34.451 32.600 0.062 0.000 1.668 176 M HN 0.647 nan 8.290 nan 0.000 0.438 177 E N 1.479 121.619 120.200 -0.099 0.000 2.191 177 E HA 0.502 4.845 4.350 -0.011 0.000 0.278 177 E C -0.764 175.830 176.600 -0.010 0.000 0.972 177 E CA -0.490 55.811 56.400 -0.166 0.000 0.804 177 E CB 1.830 31.165 29.700 -0.607 0.000 1.110 177 E HN 0.524 nan 8.360 nan 0.000 0.394 178 E N 1.677 121.956 120.200 0.132 0.000 2.292 178 E HA 0.602 4.946 4.350 -0.011 0.000 0.272 178 E C -1.269 175.427 176.600 0.160 0.000 0.881 178 E CA -1.163 55.306 56.400 0.114 0.000 0.754 178 E CB 1.237 31.018 29.700 0.134 0.000 1.201 178 E HN 0.576 nan 8.360 nan 0.000 0.425 179 A N 3.390 126.258 122.820 0.080 0.000 2.565 179 A HA 0.033 4.347 4.320 -0.011 0.000 0.237 179 A C 0.043 177.790 177.584 0.272 0.000 1.053 179 A CA 0.515 52.602 52.037 0.082 0.000 0.755 179 A CB 0.083 18.992 19.000 -0.151 0.000 0.980 179 A HN 0.692 nan 8.150 nan 0.000 0.506 180 D N 1.646 122.286 120.400 0.399 0.000 2.524 180 D HA 0.190 4.823 4.640 -0.011 0.000 0.222 180 D C -0.496 176.168 176.300 0.608 0.000 1.142 180 D CA -0.256 53.997 54.000 0.422 0.000 0.973 180 D CB 0.292 41.270 40.800 0.297 0.000 1.025 180 D HN 0.365 nan 8.370 nan 0.000 0.519 181 D N 3.552 124.274 120.400 0.538 0.000 2.688 181 D HA -0.029 4.605 4.640 -0.011 0.000 0.228 181 D C 1.131 177.602 176.300 0.286 0.000 1.116 181 D CA -0.545 53.683 54.000 0.379 0.000 1.023 181 D CB -0.172 40.850 40.800 0.370 0.000 1.100 181 D HN 0.559 nan 8.370 nan 0.000 0.487 182 W N 2.121 123.478 121.300 0.095 0.000 2.525 182 W HA -0.034 4.620 4.660 -0.011 0.000 0.259 182 W C 0.129 176.717 176.519 0.116 0.000 1.253 182 W CA 0.076 57.493 57.345 0.120 0.000 1.262 182 W CB -0.741 28.788 29.460 0.117 0.000 1.122 182 W HN 0.191 nan 8.180 nan 0.000 0.607 183 L N 0.863 121.758 121.223 -0.547 0.000 2.607 183 L HA 0.188 4.521 4.340 -0.011 0.000 0.228 183 L C 2.709 179.444 176.870 -0.226 0.000 1.123 183 L CA -0.028 54.460 54.840 -0.586 0.000 0.890 183 L CB -0.629 40.954 42.059 -0.792 0.000 1.103 183 L HN -0.126 nan 8.230 nan 0.000 0.468 184 R N 0.763 121.204 120.500 -0.097 0.000 2.133 184 R HA -0.247 4.087 4.340 -0.011 0.000 0.245 184 R C 1.466 177.654 176.300 -0.187 0.000 1.137 184 R CA 2.249 58.270 56.100 -0.133 0.000 0.947 184 R CB -0.304 29.919 30.300 -0.128 0.000 0.865 184 R HN 0.317 nan 8.270 nan 0.000 0.437 185 Y N -0.477 119.862 120.300 0.066 0.000 2.466 185 Y HA 0.323 4.867 4.550 -0.010 0.000 0.272 185 Y C 0.737 176.690 175.900 0.088 0.000 1.169 185 Y CA 0.291 58.476 58.100 0.141 0.000 1.285 185 Y CB 0.874 39.529 38.460 0.325 0.000 1.078 185 Y HN 0.448 nan 8.280 nan 0.000 0.523 186 G N 1.363 110.226 108.800 0.105 0.000 2.675 186 G HA2 -0.213 3.740 3.960 -0.011 0.000 0.686 186 G HA3 -0.213 3.740 3.960 -0.011 0.000 0.686 186 G C -1.374 173.566 174.900 0.066 0.000 1.215 186 G CA -0.937 44.151 45.100 -0.020 0.000 0.777 186 G HN 0.229 nan 8.290 nan 0.000 0.638 187 N N 1.830 120.503 118.700 -0.044 0.000 2.564 187 N HA 0.583 5.317 4.740 -0.011 0.000 0.248 187 N C -0.632 174.841 175.510 -0.061 0.000 0.986 187 N CA -2.152 50.908 53.050 0.017 0.000 0.921 187 N CB 1.937 40.374 38.487 -0.083 0.000 1.136 187 N HN 0.220 nan 8.380 nan 0.000 0.509 188 P HA 0.001 nan 4.420 nan 0.000 0.230 188 P C 0.443 177.417 177.300 -0.543 0.000 1.158 188 P CA 0.815 63.580 63.100 -0.558 0.000 0.769 188 P CB 0.019 31.157 31.700 -0.936 0.000 0.807 189 W N 1.637 122.960 121.300 0.039 0.000 3.139 189 W HA 0.099 4.753 4.660 -0.010 0.000 0.260 189 W C 1.041 177.603 176.519 0.071 0.000 1.312 189 W CA -0.511 56.852 57.345 0.031 0.000 1.606 189 W CB -0.081 29.409 29.460 0.050 0.000 1.118 189 W HN 0.036 nan 8.180 nan 0.000 0.675 190 E N 1.459 121.819 120.200 0.266 0.000 2.222 190 E HA 0.445 4.788 4.350 -0.011 0.000 0.272 190 E C -0.695 176.063 176.600 0.264 0.000 0.982 190 E CA -1.030 55.543 56.400 0.289 0.000 0.842 190 E CB 1.612 31.491 29.700 0.298 0.000 1.144 190 E HN -0.297 nan 8.360 nan 0.000 0.397 191 K N 1.749 122.324 120.400 0.290 0.000 2.559 191 K HA 0.429 4.743 4.320 -0.011 0.000 0.249 191 K C -1.206 175.414 176.600 0.034 0.000 0.958 191 K CA -0.442 55.952 56.287 0.177 0.000 0.901 191 K CB 1.400 34.027 32.500 0.211 0.000 1.124 191 K HN 0.673 nan 8.250 nan 0.000 0.437 192 A N 4.383 127.135 122.820 -0.114 0.000 2.462 192 A HA 0.389 4.703 4.320 -0.011 0.000 0.243 192 A C -0.342 177.076 177.584 -0.277 0.000 1.076 192 A CA -0.136 51.597 52.037 -0.506 0.000 0.773 192 A CB 0.228 18.905 19.000 -0.538 0.000 1.010 192 A HN 0.744 nan 8.150 nan 0.000 0.493 193 R N 2.847 123.184 120.500 -0.272 0.000 2.629 193 R HA 0.205 4.538 4.340 -0.011 0.000 0.277 193 R C -2.575 173.665 176.300 -0.101 0.000 1.637 193 R CA -1.344 54.687 56.100 -0.115 0.000 1.663 193 R CB 1.080 31.408 30.300 0.047 0.000 1.228 193 R HN 0.467 nan 8.270 nan 0.000 0.632 194 P HA -0.152 nan 4.420 nan 0.000 0.231 194 P C 0.965 178.196 177.300 -0.114 0.000 1.158 194 P CA 0.938 63.985 63.100 -0.088 0.000 0.763 194 P CB 0.276 31.927 31.700 -0.082 0.000 0.805 195 E N -0.780 119.270 120.200 -0.250 0.000 2.481 195 E HA -0.063 4.281 4.350 -0.011 0.000 0.195 195 E C 0.452 176.718 176.600 -0.558 0.000 1.047 195 E CA 0.539 56.676 56.400 -0.438 0.000 0.867 195 E CB -0.633 28.682 29.700 -0.642 0.000 0.858 195 E HN 0.336 nan 8.360 nan 0.000 0.513 196 F N 1.497 121.466 119.950 0.032 0.000 2.805 196 F HA 0.234 4.754 4.527 -0.011 0.000 0.317 196 F C 0.337 176.237 175.800 0.167 0.000 1.146 196 F CA -0.671 57.382 58.000 0.088 0.000 1.265 196 F CB 1.010 40.061 39.000 0.085 0.000 0.992 196 F HN -0.271 nan 8.300 nan 0.000 0.511 197 T N 3.042 117.731 114.554 0.225 0.000 2.888 197 T HA 0.246 4.590 4.350 -0.011 0.000 0.301 197 T C -0.268 174.533 174.700 0.169 0.000 1.001 197 T CA 0.401 62.631 62.100 0.216 0.000 1.147 197 T CB 0.604 69.548 68.868 0.127 0.000 0.931 197 T HN -0.115 nan 8.240 nan 0.000 0.541 198 L N 6.205 127.502 121.223 0.123 0.000 2.354 198 L HA 0.601 4.935 4.340 -0.011 0.000 0.264 198 L C -2.232 174.599 176.870 -0.066 0.000 1.008 198 L CA -2.655 52.183 54.840 -0.004 0.000 0.819 198 L CB 1.888 43.871 42.059 -0.127 0.000 1.339 198 L HN 0.377 nan 8.230 nan 0.000 0.420 199 P HA 0.399 nan 4.420 nan 0.000 0.288 199 P C -1.205 175.963 177.300 -0.220 0.000 1.267 199 P CA -0.438 62.581 63.100 -0.136 0.000 0.815 199 P CB 1.800 33.420 31.700 -0.133 0.000 0.989 200 V N 4.081 123.852 119.914 -0.239 0.000 2.540 200 V HA 0.336 4.450 4.120 -0.011 0.000 0.302 200 V C 0.159 176.037 176.094 -0.359 0.000 1.035 200 V CA -0.602 61.547 62.300 -0.251 0.000 0.873 200 V CB 1.469 33.213 31.823 -0.132 0.000 0.992 200 V HN 0.608 nan 8.190 nan 0.000 0.428 201 H N 3.773 122.678 119.070 -0.275 0.000 2.479 201 H HA 0.642 5.191 4.556 -0.011 0.000 0.335 201 H C -1.332 173.665 175.328 -0.551 0.000 1.142 201 H CA -0.199 55.605 56.048 -0.408 0.000 1.234 201 H CB 2.014 31.304 29.762 -0.786 0.000 1.503 201 H HN 0.473 nan 8.280 nan 0.000 0.510 202 F N -0.130 119.855 119.950 0.057 0.000 2.613 202 F HA 0.198 4.718 4.527 -0.011 0.000 0.310 202 F C -0.302 175.595 175.800 0.161 0.000 1.085 202 F CA -0.558 57.477 58.000 0.059 0.000 0.945 202 F CB 1.077 40.030 39.000 -0.078 0.000 1.298 202 F HN 0.571 nan 8.300 nan 0.000 0.455 203 Y N 0.272 120.841 120.300 0.449 0.000 2.896 203 Y HA -0.031 4.513 4.550 -0.011 0.000 0.466 203 Y C 1.414 177.549 175.900 0.391 0.000 1.197 203 Y CA 0.716 59.006 58.100 0.317 0.000 2.513 203 Y CB -1.929 36.641 38.460 0.183 0.000 1.232 203 Y HN 1.311 nan 8.280 nan 0.000 0.632 204 G N 0.755 109.807 108.800 0.420 0.000 2.598 204 G HA2 0.083 4.037 3.960 -0.011 0.000 0.244 204 G HA3 0.083 4.037 3.960 -0.011 0.000 0.244 204 G C -0.491 174.613 174.900 0.340 0.000 1.302 204 G CA 1.027 46.295 45.100 0.281 0.000 0.903 204 G HN 1.370 nan 8.290 nan 0.000 0.575 205 R N -2.604 118.095 120.500 0.332 0.000 2.766 205 R HA 0.708 5.042 4.340 -0.011 0.000 0.270 205 R C -1.504 174.935 176.300 0.231 0.000 1.035 205 R CA -0.878 55.363 56.100 0.236 0.000 0.911 205 R CB 1.247 31.628 30.300 0.135 0.000 1.243 205 R HN 0.951 nan 8.270 nan 0.000 0.460 206 V N 0.904 120.865 119.914 0.079 0.000 2.398 206 V HA 0.364 4.478 4.120 -0.011 0.000 0.286 206 V C -0.281 175.753 176.094 -0.100 0.000 1.026 206 V CA -0.582 61.694 62.300 -0.039 0.000 0.868 206 V CB 1.346 33.073 31.823 -0.161 0.000 0.982 206 V HN 0.681 nan 8.190 nan 0.000 0.443 207 E N 3.115 123.239 120.200 -0.127 0.000 2.151 207 E HA 0.388 4.731 4.350 -0.011 0.000 0.275 207 E C -0.974 175.500 176.600 -0.209 0.000 0.936 207 E CA -0.688 55.654 56.400 -0.096 0.000 0.777 207 E CB 0.899 30.586 29.700 -0.021 0.000 1.108 207 E HN 0.662 nan 8.360 nan 0.000 0.401 208 H N 2.582 121.664 119.070 0.021 0.000 2.641 208 H HA 0.188 4.738 4.556 -0.011 0.000 0.295 208 H C -0.302 175.034 175.328 0.013 0.000 1.070 208 H CA -0.191 55.864 56.048 0.013 0.000 1.257 208 H CB 0.864 30.630 29.762 0.005 0.000 1.393 208 H HN 0.443 nan 8.280 nan 0.000 0.464 209 T N -0.045 114.564 114.554 0.091 0.000 2.861 209 T HA 0.253 4.597 4.350 -0.011 0.000 0.287 209 T C 1.257 175.990 174.700 0.055 0.000 1.003 209 T CA -0.225 61.912 62.100 0.063 0.000 0.977 209 T CB 1.849 70.739 68.868 0.036 0.000 0.996 209 T HN 0.518 nan 8.240 nan 0.000 0.448 210 S N 2.499 118.225 115.700 0.045 0.000 2.547 210 S HA -0.365 4.098 4.470 -0.011 0.000 0.428 210 S C 1.012 175.633 174.600 0.036 0.000 1.180 210 S CA 1.902 60.123 58.200 0.035 0.000 2.217 210 S CB -1.359 61.857 63.200 0.026 0.000 1.761 210 S HN 0.832 nan 8.310 nan 0.000 0.498 211 Q N 2.956 122.776 119.800 0.033 0.000 3.008 211 Q HA 0.574 4.908 4.340 -0.011 0.000 0.307 211 Q C 0.451 176.472 176.000 0.036 0.000 1.273 211 Q CA 0.792 56.614 55.803 0.032 0.000 1.091 211 Q CB 0.182 28.935 28.738 0.025 0.000 1.393 211 Q HN 0.938 nan 8.270 nan 0.000 0.521 212 G N -0.072 108.760 108.800 0.052 0.000 2.603 212 G HA2 0.150 4.104 3.960 -0.011 0.000 0.686 212 G HA3 0.150 4.104 3.960 -0.011 0.000 0.686 212 G C -0.925 174.007 174.900 0.053 0.000 1.286 212 G CA -0.676 44.459 45.100 0.059 0.000 0.871 212 G HN 0.583 nan 8.290 nan 0.000 0.568 213 A N 0.112 122.948 122.820 0.027 0.000 2.302 213 A HA 0.820 5.134 4.320 -0.011 0.000 0.285 213 A C 0.359 177.890 177.584 -0.088 0.000 1.105 213 A CA 0.095 52.066 52.037 -0.109 0.000 0.816 213 A CB 0.923 19.821 19.000 -0.169 0.000 1.067 213 A HN 0.796 nan 8.150 nan 0.000 0.489 214 K N 0.547 120.879 120.400 -0.112 0.000 2.443 214 K HA 0.225 4.539 4.320 -0.011 0.000 0.252 214 K C -1.889 174.741 176.600 0.050 0.000 0.933 214 K CA -0.385 55.888 56.287 -0.023 0.000 0.792 214 K CB 2.011 34.501 32.500 -0.016 0.000 1.185 214 K HN 0.724 nan 8.250 nan 0.000 0.425 215 W N 5.661 126.874 121.300 -0.146 0.000 2.311 215 W HA 0.337 4.991 4.660 -0.011 0.000 0.317 215 W C -0.714 175.735 176.519 -0.116 0.000 1.065 215 W CA -0.835 56.428 57.345 -0.136 0.000 1.364 215 W CB 0.139 29.505 29.460 -0.158 0.000 1.233 215 W HN 0.293 nan 8.180 nan 0.000 0.409 216 V N 2.822 122.793 119.914 0.095 0.000 3.113 216 V HA 0.611 4.725 4.120 -0.011 0.000 0.316 216 V C -0.132 175.932 176.094 -0.050 0.000 1.125 216 V CA -0.930 61.344 62.300 -0.044 0.000 1.026 216 V CB 1.913 33.738 31.823 0.003 0.000 1.080 216 V HN 0.458 nan 8.190 nan 0.000 0.444 217 D N 0.278 120.644 120.400 -0.057 0.000 2.723 217 D HA -0.138 4.495 4.640 -0.011 0.000 0.236 217 D C 0.516 176.786 176.300 -0.050 0.000 1.138 217 D CA 1.481 55.458 54.000 -0.037 0.000 0.676 217 D CB -1.731 39.071 40.800 0.003 0.000 1.069 217 D HN 1.300 nan 8.370 nan 0.000 0.430 218 T N -3.039 111.441 114.554 -0.125 0.000 2.874 218 T HA 0.394 4.738 4.350 -0.011 0.000 0.281 218 T C 0.271 174.973 174.700 0.004 0.000 0.994 218 T CA -0.873 61.160 62.100 -0.112 0.000 1.015 218 T CB 2.608 71.248 68.868 -0.381 0.000 1.028 218 T HN 0.194 nan 8.240 nan 0.000 0.523 219 Q N 1.122 120.990 119.800 0.112 0.000 2.257 219 Q HA 0.499 4.832 4.340 -0.011 0.000 0.255 219 Q C -1.448 174.619 176.000 0.112 0.000 0.920 219 Q CA -0.793 55.076 55.803 0.109 0.000 0.927 219 Q CB 1.249 30.120 28.738 0.223 0.000 1.229 219 Q HN 0.622 nan 8.270 nan 0.000 0.433 220 V N 4.431 124.359 119.914 0.023 0.000 2.427 220 V HA 0.428 4.542 4.120 -0.011 0.000 0.286 220 V C -0.337 175.794 176.094 0.061 0.000 1.034 220 V CA -0.578 61.685 62.300 -0.061 0.000 0.893 220 V CB 1.677 33.415 31.823 -0.141 0.000 0.982 220 V HN 0.619 nan 8.190 nan 0.000 0.452 221 V N 6.021 126.006 119.914 0.118 0.000 2.656 221 V HA 0.489 4.602 4.120 -0.011 0.000 0.307 221 V C -0.218 175.988 176.094 0.186 0.000 1.051 221 V CA -0.611 61.806 62.300 0.194 0.000 0.893 221 V CB 1.960 33.977 31.823 0.324 0.000 0.999 221 V HN 0.637 nan 8.190 nan 0.000 0.426 222 L N 3.508 124.841 121.223 0.183 0.000 2.357 222 L HA 0.786 5.120 4.340 -0.011 0.000 0.273 222 L C 0.404 177.466 176.870 0.320 0.000 1.080 222 L CA -0.419 54.527 54.840 0.176 0.000 0.803 222 L CB 1.401 43.541 42.059 0.135 0.000 1.174 222 L HN 0.742 nan 8.230 nan 0.000 0.443 223 A N 4.664 127.609 122.820 0.209 0.000 2.267 223 A HA 0.608 4.922 4.320 -0.011 0.000 0.315 223 A C -0.539 177.305 177.584 0.432 0.000 1.297 223 A CA -0.466 51.722 52.037 0.252 0.000 0.865 223 A CB 1.006 19.713 19.000 -0.488 0.000 1.165 223 A HN 0.788 nan 8.150 nan 0.000 0.513 224 M N 6.030 125.944 119.600 0.524 0.000 2.129 224 M HA 0.485 4.959 4.480 -0.011 0.000 0.348 224 M C -2.624 173.932 176.300 0.428 0.000 1.116 224 M CA -2.123 53.425 55.300 0.413 0.000 1.022 224 M CB 2.130 34.892 32.600 0.271 0.000 1.599 224 M HN 0.367 nan 8.290 nan 0.000 0.449 225 P HA 0.253 nan 4.420 nan 0.000 0.286 225 P C -1.955 175.271 177.300 -0.123 0.000 1.261 225 P CA -0.049 62.968 63.100 -0.139 0.000 0.821 225 P CB 0.596 31.999 31.700 -0.495 0.000 1.013 226 Y N 0.597 120.840 120.300 -0.094 0.000 2.326 226 Y HA 0.300 4.844 4.550 -0.011 0.000 0.329 226 Y C 0.165 176.055 175.900 -0.016 0.000 0.973 226 Y CA -0.282 57.817 58.100 -0.002 0.000 1.162 226 Y CB 1.348 39.837 38.460 0.049 0.000 1.147 226 Y HN 0.216 nan 8.280 nan 0.000 0.456 227 D N 2.054 122.554 120.400 0.166 0.000 2.177 227 D HA 0.397 5.031 4.640 -0.011 0.000 0.247 227 D C -0.559 175.962 176.300 0.369 0.000 1.063 227 D CA -0.161 53.977 54.000 0.230 0.000 0.867 227 D CB 1.777 42.734 40.800 0.261 0.000 1.168 227 D HN 0.363 nan 8.370 nan 0.000 0.445 228 T N 3.137 117.826 114.554 0.224 0.000 2.824 228 T HA 0.446 4.790 4.350 -0.011 0.000 0.282 228 T C -2.526 172.046 174.700 -0.214 0.000 0.993 228 T CA -1.446 60.698 62.100 0.072 0.000 0.967 228 T CB 2.068 70.968 68.868 0.053 0.000 0.960 228 T HN 0.167 nan 8.240 nan 0.000 0.441 229 P HA 0.299 nan 4.420 nan 0.000 0.275 229 P C -0.974 176.010 177.300 -0.526 0.000 1.227 229 P CA -0.370 62.088 63.100 -1.070 0.000 0.781 229 P CB 0.801 31.632 31.700 -1.448 0.000 0.906 230 V N 5.130 124.788 119.914 -0.426 0.000 2.305 230 V HA 0.257 4.370 4.120 -0.011 0.000 0.275 230 V C -2.128 173.833 176.094 -0.222 0.000 1.020 230 V CA -1.900 60.245 62.300 -0.260 0.000 0.811 230 V CB 1.345 33.063 31.823 -0.175 0.000 1.031 230 V HN 0.538 nan 8.190 nan 0.000 0.439 231 P HA 0.281 nan 4.420 nan 0.000 0.280 231 P C 0.375 177.625 177.300 -0.084 0.000 1.244 231 P CA 0.312 63.322 63.100 -0.150 0.000 0.784 231 P CB 1.519 33.127 31.700 -0.153 0.000 0.913 232 G N 2.188 110.956 108.800 -0.054 0.000 2.599 232 G HA2 0.176 4.129 3.960 -0.011 0.000 0.264 232 G HA3 0.176 4.129 3.960 -0.011 0.000 0.264 232 G C -1.234 173.679 174.900 0.023 0.000 1.200 232 G CA -0.588 44.511 45.100 -0.003 0.000 0.896 232 G HN 0.508 nan 8.290 nan 0.000 0.536 233 Y N 1.030 121.294 120.300 -0.060 0.000 2.531 233 Y HA 0.241 4.784 4.550 -0.011 0.000 0.347 233 Y C 1.431 177.295 175.900 -0.060 0.000 1.024 233 Y CA -0.285 57.775 58.100 -0.067 0.000 1.306 233 Y CB 0.085 38.505 38.460 -0.067 0.000 1.149 233 Y HN 0.714 nan 8.280 nan 0.000 0.527 234 R N 3.328 123.488 120.500 -0.566 0.000 3.484 234 R HA -0.332 4.002 4.340 -0.011 0.000 0.260 234 R C 0.004 176.151 176.300 -0.255 0.000 1.053 234 R CA 1.372 57.175 56.100 -0.495 0.000 0.703 234 R CB -2.089 27.729 30.300 -0.804 0.000 1.089 234 R HN 0.947 nan 8.270 nan 0.000 0.459 235 N N -0.907 117.702 118.700 -0.152 0.000 2.170 235 N HA 0.044 4.778 4.740 -0.011 0.000 0.222 235 N C -0.068 175.394 175.510 -0.080 0.000 1.218 235 N CA -0.494 52.503 53.050 -0.089 0.000 0.889 235 N CB 0.528 38.990 38.487 -0.042 0.000 1.083 235 N HN 0.085 nan 8.380 nan 0.000 0.520 236 N N -0.336 118.311 118.700 -0.089 0.000 2.800 236 N HA -0.132 4.602 4.740 -0.011 0.000 0.250 236 N C -0.998 174.468 175.510 -0.072 0.000 1.078 236 N CA 0.625 53.630 53.050 -0.075 0.000 0.804 236 N CB -1.309 37.135 38.487 -0.072 0.000 1.135 236 N HN 0.194 nan 8.380 nan 0.000 0.565 237 V N 1.038 120.913 119.914 -0.064 0.000 2.509 237 V HA 0.506 4.620 4.120 -0.011 0.000 0.284 237 V C 0.609 176.667 176.094 -0.060 0.000 1.047 237 V CA -0.487 61.781 62.300 -0.054 0.000 0.952 237 V CB 2.240 34.059 31.823 -0.007 0.000 0.988 237 V HN -0.044 nan 8.190 nan 0.000 0.469 238 V N 5.026 124.904 119.914 -0.060 0.000 2.462 238 V HA 0.430 4.544 4.120 -0.011 0.000 0.288 238 V C -0.225 175.837 176.094 -0.053 0.000 1.020 238 V CA -0.816 61.414 62.300 -0.117 0.000 0.857 238 V CB 1.580 33.304 31.823 -0.165 0.000 1.013 238 V HN 0.859 nan 8.190 nan 0.000 0.431 239 N N 1.896 120.546 118.700 -0.084 0.000 2.476 239 N HA 0.615 5.349 4.740 -0.011 0.000 0.287 239 N C -0.102 175.379 175.510 -0.049 0.000 1.262 239 N CA -0.318 52.708 53.050 -0.040 0.000 0.980 239 N CB 1.357 39.793 38.487 -0.085 0.000 1.163 239 N HN 0.588 nan 8.380 nan 0.000 0.592 240 T N 0.668 115.194 114.554 -0.047 0.000 2.863 240 T HA 0.434 4.777 4.350 -0.011 0.000 0.285 240 T C -0.338 174.317 174.700 -0.075 0.000 1.009 240 T CA -0.530 61.606 62.100 0.060 0.000 0.989 240 T CB 1.227 70.244 68.868 0.249 0.000 1.004 240 T HN 0.317 nan 8.240 nan 0.000 0.455 241 M N 3.460 122.997 119.600 -0.106 0.000 2.072 241 M HA 0.570 5.044 4.480 -0.011 0.000 0.331 241 M C -0.723 175.438 176.300 -0.231 0.000 1.004 241 M CA -0.823 54.327 55.300 -0.251 0.000 0.952 241 M CB 0.743 33.147 32.600 -0.326 0.000 1.511 241 M HN 0.457 nan 8.290 nan 0.000 0.422 242 R N 4.534 124.803 120.500 -0.385 0.000 2.229 242 R HA 0.558 4.891 4.340 -0.011 0.000 0.332 242 R C -2.002 174.051 176.300 -0.412 0.000 0.989 242 R CA -0.367 55.466 56.100 -0.445 0.000 0.842 242 R CB 0.766 30.627 30.300 -0.733 0.000 1.119 242 R HN 0.651 nan 8.270 nan 0.000 0.456 243 L N 5.680 126.752 121.223 -0.253 0.000 2.313 243 L HA 0.483 4.817 4.340 -0.011 0.000 0.283 243 L C -0.941 175.901 176.870 -0.046 0.000 1.013 243 L CA -0.667 54.122 54.840 -0.085 0.000 0.816 243 L CB 1.058 43.150 42.059 0.055 0.000 1.236 243 L HN 0.644 nan 8.230 nan 0.000 0.419 244 W N 2.229 123.661 121.300 0.218 0.000 2.316 244 W HA 0.588 5.242 4.660 -0.011 0.000 0.321 244 W C 0.588 177.341 176.519 0.389 0.000 1.203 244 W CA -0.234 57.256 57.345 0.242 0.000 1.214 244 W CB 1.358 30.814 29.460 -0.006 0.000 1.169 244 W HN 0.445 nan 8.180 nan 0.000 0.561 245 S N 1.713 117.840 115.700 0.712 0.000 2.500 245 S HA 0.758 5.222 4.470 -0.011 0.000 0.301 245 S C -0.520 174.445 174.600 0.608 0.000 1.092 245 S CA -0.743 57.784 58.200 0.545 0.000 1.030 245 S CB 0.667 64.134 63.200 0.446 0.000 1.031 245 S HN 0.540 nan 8.310 nan 0.000 0.483 246 A N 4.771 127.791 122.820 0.333 0.000 2.366 246 A HA 0.647 4.961 4.320 -0.011 0.000 0.272 246 A C -0.104 177.585 177.584 0.174 0.000 1.135 246 A CA -0.188 51.946 52.037 0.163 0.000 0.804 246 A CB 0.297 19.121 19.000 -0.293 0.000 1.064 246 A HN 0.612 nan 8.150 nan 0.000 0.499 247 K N 1.117 121.639 120.400 0.203 0.000 2.427 247 K HA 0.621 4.935 4.320 -0.011 0.000 0.252 247 K C -0.579 176.093 176.600 0.120 0.000 0.931 247 K CA -0.377 56.001 56.287 0.151 0.000 0.793 247 K CB 2.154 34.756 32.500 0.170 0.000 1.211 247 K HN 0.831 nan 8.250 nan 0.000 0.426 248 A N 4.267 127.139 122.820 0.086 0.000 2.354 248 A HA 0.555 4.869 4.320 -0.011 0.000 0.269 248 A C -2.239 175.391 177.584 0.076 0.000 1.109 248 A CA -1.216 50.865 52.037 0.075 0.000 0.800 248 A CB -0.120 18.912 19.000 0.054 0.000 1.045 248 A HN 0.321 nan 8.150 nan 0.000 0.489 249 P HA 0.129 nan 4.420 nan 0.000 0.271 249 P C -0.008 177.336 177.300 0.074 0.000 1.218 249 P CA -0.346 62.801 63.100 0.078 0.000 0.780 249 P CB 0.518 32.273 31.700 0.091 0.000 0.901 250 N N 1.249 119.984 118.700 0.059 0.000 2.461 250 N HA -0.068 4.666 4.740 -0.011 0.000 0.188 250 N C 0.796 176.336 175.510 0.051 0.000 1.134 250 N CA 0.397 53.478 53.050 0.051 0.000 0.878 250 N CB 0.013 38.525 38.487 0.042 0.000 0.972 250 N HN 0.593 nan 8.380 nan 0.000 0.456 251 D N 0.929 121.359 120.400 0.051 0.000 2.099 251 D HA -0.096 4.538 4.640 -0.011 0.000 0.278 251 D C 1.623 177.953 176.300 0.050 0.000 1.140 251 D CA 0.019 54.026 54.000 0.012 0.000 0.894 251 D CB -0.916 39.862 40.800 -0.037 0.000 0.945 251 D HN 0.015 nan 8.370 nan 0.000 0.338 252 F N 1.012 120.976 119.950 0.023 0.000 2.063 252 F HA -0.254 4.267 4.527 -0.011 0.000 0.298 252 F C 1.899 177.709 175.800 0.017 0.000 1.105 252 F CA 1.584 59.597 58.000 0.020 0.000 1.215 252 F CB -0.521 38.490 39.000 0.019 0.000 0.972 252 F HN 0.058 nan 8.300 nan 0.000 0.483 253 N N 1.050 119.900 118.700 0.250 0.000 2.818 253 N HA -0.012 4.722 4.740 -0.011 0.000 0.248 253 N C -0.753 174.813 175.510 0.092 0.000 1.481 253 N CA 0.012 53.139 53.050 0.129 0.000 0.973 253 N CB -0.173 38.367 38.487 0.088 0.000 1.334 253 N HN 0.025 nan 8.380 nan 0.000 0.535 261 G N -0.694 108.138 108.800 0.054 0.000 3.367 261 G HA2 0.108 4.062 3.960 -0.011 0.000 0.686 261 G HA3 0.108 4.062 3.960 -0.011 0.000 0.686 261 G C 0.026 174.977 174.900 0.086 0.000 1.146 261 G CA 0.241 45.382 45.100 0.069 0.000 0.913 261 G HN 1.280 nan 8.290 nan 0.000 0.554 262 Y N 3.573 123.880 120.300 0.013 0.000 2.145 262 Y HA -0.081 4.463 4.550 -0.011 0.000 0.286 262 Y C 2.530 178.438 175.900 0.014 0.000 1.145 262 Y CA 2.242 60.350 58.100 0.014 0.000 1.148 262 Y CB -0.012 38.454 38.460 0.010 0.000 0.981 262 Y HN 0.517 nan 8.280 nan 0.000 0.507 263 I N 0.473 120.977 120.570 -0.111 0.000 2.163 263 I HA -0.305 3.858 4.170 -0.011 0.000 0.243 263 I C 2.388 178.398 176.117 -0.179 0.000 1.085 263 I CA 1.466 62.650 61.300 -0.194 0.000 1.347 263 I CB -1.383 36.611 38.000 -0.010 0.000 1.044 263 I HN 0.354 nan 8.210 nan 0.000 0.408 264 Q N 0.704 120.451 119.800 -0.089 0.000 2.061 264 Q HA -0.159 4.175 4.340 -0.011 0.000 0.204 264 Q C 2.397 178.346 176.000 -0.084 0.000 0.984 264 Q CA 2.123 57.889 55.803 -0.063 0.000 0.846 264 Q CB -0.532 28.191 28.738 -0.025 0.000 0.902 264 Q HN 0.545 nan 8.270 nan 0.000 0.421 265 A N -0.146 122.614 122.820 -0.099 0.000 1.917 265 A HA -0.171 4.143 4.320 -0.011 0.000 0.219 265 A C 2.420 179.930 177.584 -0.122 0.000 1.182 265 A CA 1.918 53.904 52.037 -0.085 0.000 0.633 265 A CB -0.745 18.218 19.000 -0.061 0.000 0.819 265 A HN 0.246 nan 8.150 nan 0.000 0.448 266 V N 0.005 119.778 119.914 -0.234 0.000 2.379 266 V HA -0.205 3.909 4.120 -0.011 0.000 0.245 266 V C 2.513 178.540 176.094 -0.112 0.000 1.044 266 V CA 1.766 63.945 62.300 -0.202 0.000 1.036 266 V CB -0.677 30.950 31.823 -0.326 0.000 0.664 266 V HN 0.572 nan 8.190 nan 0.000 0.453 267 L N -0.227 120.933 121.223 -0.104 0.000 2.131 267 L HA -0.159 4.175 4.340 -0.011 0.000 0.210 267 L C 2.015 178.863 176.870 -0.037 0.000 1.092 267 L CA 1.257 56.063 54.840 -0.057 0.000 0.759 267 L CB -0.671 41.359 42.059 -0.048 0.000 0.903 267 L HN 0.324 nan 8.230 nan 0.000 0.435 268 D N 0.027 120.403 120.400 -0.040 0.000 2.371 268 D HA -0.080 4.554 4.640 -0.011 0.000 0.221 268 D C 2.140 178.432 176.300 -0.014 0.000 0.986 268 D CA 0.473 54.459 54.000 -0.024 0.000 0.899 268 D CB 0.028 40.815 40.800 -0.023 0.000 0.902 268 D HN 0.255 nan 8.370 nan 0.000 0.530 269 R N 0.316 120.808 120.500 -0.014 0.000 2.152 269 R HA -0.018 4.316 4.340 -0.011 0.000 0.232 269 R C 1.329 177.633 176.300 0.007 0.000 1.117 269 R CA 0.583 56.684 56.100 0.002 0.000 0.981 269 R CB -0.180 30.123 30.300 0.004 0.000 0.870 269 R HN 0.129 nan 8.270 nan 0.000 0.451 270 N N 0.684 119.387 118.700 0.005 0.000 2.609 270 N HA -0.094 4.640 4.740 -0.011 0.000 0.190 270 N C 1.196 176.709 175.510 0.006 0.000 1.157 270 N CA 0.743 53.800 53.050 0.012 0.000 0.918 270 N CB 0.126 38.622 38.487 0.016 0.000 0.978 270 N HN 0.127 nan 8.380 nan 0.000 0.448 271 L N 0.388 121.609 121.223 -0.003 0.000 2.162 271 L HA 0.102 4.436 4.340 -0.011 0.000 0.205 271 L C 2.249 179.104 176.870 -0.026 0.000 1.086 271 L CA 0.889 55.722 54.840 -0.011 0.000 0.778 271 L CB -0.730 41.321 42.059 -0.014 0.000 0.928 271 L HN 0.034 nan 8.230 nan 0.000 0.446 272 A N -0.897 121.910 122.820 -0.021 0.000 1.930 272 A HA -0.108 4.205 4.320 -0.011 0.000 0.215 272 A C 2.041 179.590 177.584 -0.058 0.000 1.176 272 A CA 0.973 52.987 52.037 -0.038 0.000 0.632 272 A CB -0.345 18.657 19.000 0.004 0.000 0.819 272 A HN 0.463 nan 8.150 nan 0.000 0.445 273 E N 0.241 120.429 120.200 -0.020 0.000 2.482 273 E HA -0.064 4.280 4.350 -0.011 0.000 0.196 273 E C 0.835 177.427 176.600 -0.013 0.000 1.047 273 E CA 0.101 56.494 56.400 -0.012 0.000 0.869 273 E CB -0.110 29.608 29.700 0.029 0.000 0.836 273 E HN 0.431 nan 8.360 nan 0.000 0.520 274 N N 0.867 119.557 118.700 -0.016 0.000 2.459 274 N HA -0.038 4.695 4.740 -0.011 0.000 0.181 274 N C 1.552 177.062 175.510 -0.000 0.000 1.046 274 N CA 0.468 53.526 53.050 0.014 0.000 0.904 274 N CB 0.045 38.540 38.487 0.012 0.000 0.964 274 N HN 0.254 nan 8.380 nan 0.000 0.444 275 I N 0.321 120.832 120.570 -0.099 0.000 2.194 275 I HA -0.255 3.909 4.170 -0.011 0.000 0.246 275 I C 1.401 177.481 176.117 -0.061 0.000 1.093 275 I CA 1.269 62.475 61.300 -0.158 0.000 1.355 275 I CB -0.174 37.556 38.000 -0.449 0.000 1.046 275 I HN 0.128 nan 8.210 nan 0.000 0.413 276 S N -0.511 115.152 115.700 -0.061 0.000 2.583 276 S HA 0.179 4.642 4.470 -0.011 0.000 0.239 276 S C 1.469 176.201 174.600 0.221 0.000 0.966 276 S CA -0.533 57.715 58.200 0.081 0.000 0.973 276 S CB 0.236 63.473 63.200 0.062 0.000 0.794 276 S HN 0.214 nan 8.310 nan 0.000 0.463 277 R N 1.248 121.882 120.500 0.224 0.000 2.073 277 R HA 0.262 4.595 4.340 -0.011 0.000 0.229 277 R C 0.438 176.995 176.300 0.429 0.000 1.120 277 R CA 1.158 57.435 56.100 0.296 0.000 0.967 277 R CB -0.209 30.233 30.300 0.237 0.000 0.862 277 R HN 0.401 nan 8.270 nan 0.000 0.436 278 V N 0.218 120.344 119.914 0.354 0.000 3.012 278 V HA 0.375 4.489 4.120 -0.011 0.000 0.307 278 V C -1.587 174.498 176.094 -0.015 0.000 1.166 278 V CA -1.383 61.057 62.300 0.233 0.000 0.974 278 V CB 1.811 33.689 31.823 0.091 0.000 1.040 278 V HN 0.157 nan 8.190 nan 0.000 0.428 279 L N 6.298 127.296 121.223 -0.376 0.000 2.367 279 L HA 0.500 4.833 4.340 -0.011 0.000 0.275 279 L C -0.909 175.808 176.870 -0.255 0.000 1.129 279 L CA 0.384 54.785 54.840 -0.733 0.000 0.839 279 L CB 0.648 42.178 42.059 -0.880 0.000 1.133 279 L HN 0.693 nan 8.230 nan 0.000 0.453 280 Y N 6.672 126.886 120.300 -0.143 0.000 2.496 280 Y HA 0.212 4.756 4.550 -0.011 0.000 0.334 280 Y C -1.374 174.519 175.900 -0.011 0.000 1.080 280 Y CA -1.283 56.804 58.100 -0.022 0.000 1.355 280 Y CB 0.453 38.923 38.460 0.016 0.000 1.193 280 Y HN 0.572 nan 8.280 nan 0.000 0.523 281 P HA -0.012 nan 4.420 nan 0.000 0.259 281 P C -0.866 176.562 177.300 0.213 0.000 1.480 281 P CA 0.231 63.437 63.100 0.178 0.000 0.842 281 P CB 0.026 31.913 31.700 0.311 0.000 1.513 282 N N 1.266 120.102 118.700 0.226 0.000 2.426 282 N HA 0.180 4.914 4.740 -0.011 0.000 0.275 282 N C -0.713 174.951 175.510 0.257 0.000 1.019 282 N CA 0.072 53.280 53.050 0.264 0.000 0.941 282 N CB 1.141 39.825 38.487 0.328 0.000 1.123 282 N HN 0.063 nan 8.380 nan 0.000 0.486 283 D N 0.864 121.452 120.400 0.313 0.000 2.344 283 D HA 0.232 4.865 4.640 -0.011 0.000 0.239 283 D C -0.312 176.311 176.300 0.538 0.000 1.064 283 D CA -0.354 53.864 54.000 0.362 0.000 0.829 283 D CB 0.335 41.353 40.800 0.362 0.000 1.129 283 D HN 0.301 nan 8.370 nan 0.000 0.506 284 N N 2.958 121.884 118.700 0.377 0.000 2.725 284 N HA -0.253 4.481 4.740 -0.011 0.000 0.251 284 N C -1.364 174.403 175.510 0.429 0.000 1.031 284 N CA 0.760 53.995 53.050 0.308 0.000 0.720 284 N CB -0.763 37.811 38.487 0.144 0.000 0.930 284 N HN 0.373 nan 8.380 nan 0.000 0.543 285 F N 0.605 120.676 119.950 0.202 0.000 2.623 285 F HA 0.410 4.931 4.527 -0.011 0.000 0.323 285 F C -1.235 174.650 175.800 0.141 0.000 1.158 285 F CA -1.074 57.012 58.000 0.143 0.000 1.030 285 F CB 0.888 39.934 39.000 0.076 0.000 1.280 285 F HN -0.018 nan 8.300 nan 0.000 0.474 286 F N 5.773 125.259 119.950 -0.774 0.000 2.404 286 F HA 0.506 5.026 4.527 -0.011 0.000 0.345 286 F C -0.390 174.960 175.800 -0.751 0.000 1.110 286 F CA -0.046 57.580 58.000 -0.624 0.000 1.130 286 F CB 0.747 39.433 39.000 -0.524 0.000 1.129 286 F HN 0.518 nan 8.300 nan 0.000 0.500 287 E N 3.909 123.403 120.200 -1.177 0.000 2.220 287 E HA 0.237 4.580 4.350 -0.011 0.000 0.256 287 E C -0.329 175.474 176.600 -1.329 0.000 0.881 287 E CA -0.656 55.187 56.400 -0.930 0.000 0.766 287 E CB 1.513 31.040 29.700 -0.288 0.000 1.187 287 E HN 0.921 nan 8.360 nan 0.000 0.419 288 G N 4.624 112.590 108.800 -1.390 0.000 3.213 288 G HA2 0.028 3.982 3.960 -0.011 0.000 0.263 288 G HA3 0.028 3.982 3.960 -0.011 0.000 0.263 288 G C 0.066 174.897 174.900 -0.115 0.000 0.829 288 G CA -0.153 44.365 45.100 -0.969 0.000 1.983 288 G HN 0.121 nan 8.290 nan 0.000 0.616 289 K N 0.545 120.931 120.400 -0.023 0.000 2.130 289 K HA 0.199 4.512 4.320 -0.011 0.000 0.268 289 K C 0.966 177.696 176.600 0.217 0.000 0.983 289 K CA -0.748 55.609 56.287 0.116 0.000 0.893 289 K CB 2.274 34.839 32.500 0.108 0.000 1.066 289 K HN 0.449 nan 8.250 nan 0.000 0.450 290 E N 1.659 121.952 120.200 0.154 0.000 2.085 290 E HA -0.216 4.127 4.350 -0.011 0.000 0.194 290 E C 1.473 178.096 176.600 0.038 0.000 0.994 290 E CA 1.028 57.468 56.400 0.066 0.000 0.801 290 E CB 0.158 29.898 29.700 0.067 0.000 0.743 290 E HN 0.401 nan 8.360 nan 0.000 0.453 291 L N 1.416 122.707 121.223 0.114 0.000 2.079 291 L HA -0.180 4.153 4.340 -0.011 0.000 0.210 291 L C 2.470 179.443 176.870 0.171 0.000 1.081 291 L CA 1.880 56.807 54.840 0.145 0.000 0.752 291 L CB -0.595 41.613 42.059 0.248 0.000 0.896 291 L HN 0.031 nan 8.230 nan 0.000 0.433 292 R N -0.643 119.922 120.500 0.109 0.000 2.092 292 R HA -0.155 4.179 4.340 -0.011 0.000 0.231 292 R C 2.095 178.446 176.300 0.084 0.000 1.119 292 R CA 1.808 57.900 56.100 -0.014 0.000 0.970 292 R CB -1.006 29.049 30.300 -0.408 0.000 0.864 292 R HN 0.407 nan 8.270 nan 0.000 0.440 293 L N 0.834 122.018 121.223 -0.066 0.000 2.093 293 L HA -0.042 4.292 4.340 -0.011 0.000 0.208 293 L C 1.691 178.512 176.870 -0.081 0.000 1.085 293 L CA 1.871 56.481 54.840 -0.384 0.000 0.755 293 L CB -0.410 41.099 42.059 -0.917 0.000 0.904 293 L HN 0.156 nan 8.230 nan 0.000 0.435 294 K N -0.995 119.403 120.400 -0.003 0.000 2.057 294 K HA -0.188 4.126 4.320 -0.011 0.000 0.207 294 K C 2.089 178.850 176.600 0.269 0.000 1.049 294 K CA 1.726 58.086 56.287 0.122 0.000 0.931 294 K CB -0.157 32.241 32.500 -0.170 0.000 0.714 294 K HN 0.501 nan 8.250 nan 0.000 0.440 295 Q N 0.586 120.510 119.800 0.206 0.000 2.084 295 Q HA -0.187 4.147 4.340 -0.011 0.000 0.202 295 Q C 1.929 178.125 176.000 0.326 0.000 0.978 295 Q CA 1.424 57.402 55.803 0.291 0.000 0.844 295 Q CB 0.003 28.935 28.738 0.323 0.000 0.898 295 Q HN 0.377 nan 8.270 nan 0.000 0.426 296 E N -0.244 120.105 120.200 0.248 0.000 2.077 296 E HA -0.209 4.134 4.350 -0.011 0.000 0.193 296 E C 1.707 178.417 176.600 0.185 0.000 0.989 296 E CA 1.014 57.542 56.400 0.214 0.000 0.800 296 E CB -0.113 29.693 29.700 0.177 0.000 0.746 296 E HN 0.327 nan 8.360 nan 0.000 0.452 297 Y N 0.287 120.633 120.300 0.076 0.000 2.263 297 Y HA -0.182 4.361 4.550 -0.011 0.000 0.292 297 Y C 1.923 177.854 175.900 0.051 0.000 1.130 297 Y CA 0.857 58.950 58.100 -0.011 0.000 1.179 297 Y CB -0.320 38.093 38.460 -0.079 0.000 0.998 297 Y HN 0.004 nan 8.280 nan 0.000 0.532 298 F N -0.256 119.677 119.950 -0.028 0.000 2.065 298 F HA -0.252 4.268 4.527 -0.011 0.000 0.298 298 F C 2.502 178.147 175.800 -0.258 0.000 1.112 298 F CA 2.067 60.012 58.000 -0.091 0.000 1.212 298 F CB -1.107 37.985 39.000 0.155 0.000 0.975 298 F HN -0.067 nan 8.300 nan 0.000 0.476 299 V N -0.492 119.387 119.914 -0.059 0.000 2.427 299 V HA -0.197 3.916 4.120 -0.011 0.000 0.248 299 V C 2.167 178.107 176.094 -0.257 0.000 1.051 299 V CA 1.889 64.113 62.300 -0.126 0.000 1.048 299 V CB -0.357 31.594 31.823 0.214 0.000 0.666 299 V HN 0.265 nan 8.190 nan 0.000 0.456 300 V N 0.333 120.100 119.914 -0.245 0.000 2.323 300 V HA -0.139 3.974 4.120 -0.011 0.000 0.244 300 V C 2.796 178.621 176.094 -0.448 0.000 1.041 300 V CA 1.997 64.137 62.300 -0.267 0.000 1.025 300 V CB -1.005 30.722 31.823 -0.160 0.000 0.656 300 V HN 0.633 nan 8.190 nan 0.000 0.451 301 A N -0.070 122.314 122.820 -0.727 0.000 1.877 301 A HA -0.122 4.192 4.320 -0.011 0.000 0.216 301 A C 2.386 179.583 177.584 -0.645 0.000 1.186 301 A CA 2.182 53.779 52.037 -0.733 0.000 0.620 301 A CB -0.780 17.561 19.000 -1.099 0.000 0.822 301 A HN 0.562 nan 8.150 nan 0.000 0.443 302 A N -1.200 121.069 122.820 -0.919 0.000 1.897 302 A HA -0.023 4.290 4.320 -0.011 0.000 0.215 302 A C 2.303 179.347 177.584 -0.901 0.000 1.181 302 A CA 2.161 53.460 52.037 -1.231 0.000 0.620 302 A CB -1.179 16.406 19.000 -2.358 0.000 0.821 302 A HN 0.424 nan 8.150 nan 0.000 0.443 303 T N 0.727 114.887 114.554 -0.656 0.000 2.708 303 T HA -0.084 4.260 4.350 -0.011 0.000 0.266 303 T C 1.797 176.217 174.700 -0.466 0.000 1.037 303 T CA 1.487 63.329 62.100 -0.429 0.000 1.146 303 T CB -0.404 68.207 68.868 -0.428 0.000 0.865 303 T HN 0.358 nan 8.240 nan 0.000 0.435 304 L N 0.726 121.725 121.223 -0.373 0.000 2.131 304 L HA -0.122 4.212 4.340 -0.011 0.000 0.210 304 L C 2.859 179.608 176.870 -0.202 0.000 1.092 304 L CA 1.249 55.925 54.840 -0.273 0.000 0.759 304 L CB -0.623 41.318 42.059 -0.197 0.000 0.903 304 L HN 0.346 nan 8.230 nan 0.000 0.435 305 Q N -0.234 119.440 119.800 -0.209 0.000 2.079 305 Q HA -0.238 4.096 4.340 -0.011 0.000 0.200 305 Q C 1.802 177.763 176.000 -0.065 0.000 0.974 305 Q CA 1.715 57.448 55.803 -0.117 0.000 0.840 305 Q CB -0.084 28.575 28.738 -0.133 0.000 0.898 305 Q HN 0.370 nan 8.270 nan 0.000 0.430 306 D N 0.455 120.809 120.400 -0.078 0.000 2.144 306 D HA -0.108 4.525 4.640 -0.011 0.000 0.199 306 D C 1.619 177.858 176.300 -0.102 0.000 0.984 306 D CA 0.872 54.871 54.000 -0.002 0.000 0.834 306 D CB 0.006 40.919 40.800 0.189 0.000 0.955 306 D HN 0.171 nan 8.370 nan 0.000 0.465 307 I N -0.028 120.386 120.570 -0.260 0.000 2.202 307 I HA -0.206 3.958 4.170 -0.011 0.000 0.242 307 I C 2.266 178.388 176.117 0.008 0.000 1.091 307 I CA 0.683 61.773 61.300 -0.351 0.000 1.368 307 I CB -0.074 37.572 38.000 -0.590 0.000 1.058 307 I HN 0.039 nan 8.210 nan 0.000 0.410 308 I N 0.315 120.944 120.570 0.099 0.000 2.315 308 I HA -0.269 3.894 4.170 -0.011 0.000 0.248 308 I C 2.769 179.048 176.117 0.270 0.000 1.117 308 I CA 1.004 62.481 61.300 0.295 0.000 1.404 308 I CB -0.384 37.745 38.000 0.216 0.000 1.071 308 I HN 0.214 nan 8.210 nan 0.000 0.419 309 R N 1.382 121.967 120.500 0.141 0.000 2.073 309 R HA -0.222 4.112 4.340 -0.011 0.000 0.234 309 R C 2.463 178.829 176.300 0.109 0.000 1.134 309 R CA 1.712 57.881 56.100 0.114 0.000 0.952 309 R CB -0.299 30.049 30.300 0.080 0.000 0.850 309 R HN 0.214 nan 8.270 nan 0.000 0.433 310 R N -0.505 120.052 120.500 0.095 0.000 2.096 310 R HA -0.172 4.162 4.340 -0.011 0.000 0.235 310 R C 2.185 178.579 176.300 0.157 0.000 1.127 310 R CA 1.711 57.871 56.100 0.099 0.000 0.968 310 R CB -0.420 29.923 30.300 0.071 0.000 0.861 310 R HN 0.304 nan 8.270 nan 0.000 0.440 311 F N 1.724 121.712 119.950 0.064 0.000 2.134 311 F HA -0.125 4.395 4.527 -0.011 0.000 0.299 311 F C 1.602 177.415 175.800 0.022 0.000 1.097 311 F CA 1.539 59.575 58.000 0.060 0.000 1.264 311 F CB -0.016 39.081 39.000 0.162 0.000 1.001 311 F HN -0.119 nan 8.300 nan 0.000 0.479 312 K N -0.142 120.210 120.400 -0.080 0.000 2.362 312 K HA -0.074 4.239 4.320 -0.011 0.000 0.200 312 K C 2.117 178.619 176.600 -0.164 0.000 1.046 312 K CA 1.163 57.325 56.287 -0.209 0.000 0.952 312 K CB -0.183 32.310 32.500 -0.011 0.000 0.753 312 K HN 0.270 nan 8.250 nan 0.000 0.466 313 S N 0.511 116.171 115.700 -0.066 0.000 2.327 313 S HA -0.026 4.438 4.470 -0.011 0.000 0.213 313 S C 0.784 175.364 174.600 -0.033 0.000 1.032 313 S CA -0.057 58.149 58.200 0.010 0.000 0.960 313 S CB -0.032 63.237 63.200 0.115 0.000 0.900 313 S HN 0.244 nan 8.310 nan 0.000 0.469 325 N N 1.152 119.845 118.700 -0.012 0.000 2.469 325 N HA 0.391 5.125 4.740 -0.011 0.000 0.239 325 N C 0.211 175.791 175.510 0.117 0.000 1.053 325 N CA -0.550 52.552 53.050 0.087 0.000 0.937 325 N CB 0.361 38.892 38.487 0.072 0.000 1.163 325 N HN 0.382 nan 8.380 nan 0.000 0.509 326 F N 0.656 120.712 119.950 0.176 0.000 2.816 326 F HA -0.006 4.514 4.527 -0.011 0.000 0.302 326 F C 1.635 177.512 175.800 0.129 0.000 1.178 326 F CA 0.196 58.290 58.000 0.157 0.000 1.421 326 F CB 0.158 39.123 39.000 -0.059 0.000 1.114 326 F HN 0.538 nan 8.300 nan 0.000 0.573 327 D N 0.320 120.863 120.400 0.239 0.000 2.178 327 D HA -0.122 4.511 4.640 -0.011 0.000 0.202 327 D C 2.147 178.540 176.300 0.156 0.000 0.974 327 D CA 1.231 55.329 54.000 0.163 0.000 0.841 327 D CB 0.053 40.923 40.800 0.117 0.000 0.953 327 D HN 0.309 nan 8.370 nan 0.000 0.478 328 A N -0.270 122.667 122.820 0.195 0.000 2.307 328 A HA 0.074 4.387 4.320 -0.011 0.000 0.218 328 A C 1.588 179.279 177.584 0.179 0.000 1.228 328 A CA -0.361 51.782 52.037 0.178 0.000 0.857 328 A CB -0.669 18.441 19.000 0.184 0.000 0.897 328 A HN 0.130 nan 8.150 nan 0.000 0.495 329 F N 1.977 121.887 119.950 -0.066 0.000 2.065 329 F HA -0.138 4.383 4.527 -0.010 0.000 0.298 329 F C -0.743 174.935 175.800 -0.203 0.000 1.112 329 F CA 2.515 60.265 58.000 -0.417 0.000 1.212 329 F CB -0.473 38.312 39.000 -0.358 0.000 0.975 329 F HN 0.210 nan 8.300 nan 0.000 0.476 330 P HA -0.100 nan 4.420 nan 0.000 0.225 330 P C 0.684 177.920 177.300 -0.107 0.000 1.148 330 P CA 1.432 64.469 63.100 -0.107 0.000 0.779 330 P CB -0.072 31.613 31.700 -0.026 0.000 0.780 331 D N -0.867 119.495 120.400 -0.063 0.000 2.289 331 D HA -0.023 4.611 4.640 -0.011 0.000 0.207 331 D C 1.517 177.793 176.300 -0.041 0.000 0.966 331 D CA 0.892 54.875 54.000 -0.029 0.000 0.868 331 D CB 0.135 40.943 40.800 0.013 0.000 0.943 331 D HN 0.130 nan 8.370 nan 0.000 0.514 332 K N -0.080 120.270 120.400 -0.083 0.000 2.380 332 K HA 0.212 4.525 4.320 -0.011 0.000 0.198 332 K C -0.075 176.427 176.600 -0.164 0.000 1.070 332 K CA 0.066 56.318 56.287 -0.058 0.000 1.040 332 K CB 2.359 34.929 32.500 0.117 0.000 0.903 332 K HN -0.068 nan 8.250 nan 0.000 0.549 333 V N 0.998 120.710 119.914 -0.336 0.000 2.638 333 V HA 0.642 4.756 4.120 -0.011 0.000 0.306 333 V C -1.132 174.840 176.094 -0.203 0.000 1.052 333 V CA -1.218 60.876 62.300 -0.343 0.000 0.885 333 V CB 1.866 33.170 31.823 -0.866 0.000 0.999 333 V HN 0.118 nan 8.190 nan 0.000 0.424 334 A N 5.716 128.481 122.820 -0.091 0.000 2.359 334 A HA 0.909 5.223 4.320 -0.011 0.000 0.303 334 A C -1.056 176.536 177.584 0.014 0.000 1.066 334 A CA -0.414 51.601 52.037 -0.036 0.000 0.730 334 A CB 0.997 19.920 19.000 -0.129 0.000 1.211 334 A HN 0.755 nan 8.150 nan 0.000 0.439 335 I N 1.904 122.536 120.570 0.103 0.000 2.382 335 I HA 0.324 4.487 4.170 -0.011 0.000 0.286 335 I C -0.302 175.911 176.117 0.160 0.000 1.002 335 I CA -0.582 60.798 61.300 0.133 0.000 1.135 335 I CB 1.975 40.038 38.000 0.105 0.000 1.288 335 I HN 0.702 nan 8.210 nan 0.000 0.448 336 Q N 6.898 126.794 119.800 0.161 0.000 2.314 336 Q HA 0.507 4.841 4.340 -0.011 0.000 0.259 336 Q C -1.361 174.652 176.000 0.021 0.000 0.951 336 Q CA -0.275 55.659 55.803 0.218 0.000 0.909 336 Q CB 1.326 30.327 28.738 0.438 0.000 1.236 336 Q HN 0.576 nan 8.270 nan 0.000 0.444 337 L N 3.809 125.082 121.223 0.083 0.000 2.261 337 L HA 0.399 4.732 4.340 -0.011 0.000 0.289 337 L C 0.064 176.973 176.870 0.066 0.000 1.059 337 L CA -0.755 54.120 54.840 0.058 0.000 0.816 337 L CB 0.609 42.745 42.059 0.129 0.000 1.191 337 L HN 0.567 nan 8.230 nan 0.000 0.431 338 N N 4.500 123.154 118.700 -0.077 0.000 2.448 338 N HA 0.059 4.793 4.740 -0.011 0.000 0.250 338 N C -0.138 175.412 175.510 0.068 0.000 1.136 338 N CA 0.569 53.635 53.050 0.026 0.000 0.953 338 N CB -0.099 38.311 38.487 -0.128 0.000 1.251 338 N HN 0.640 nan 8.380 nan 0.000 0.502 339 D N -0.089 120.452 120.400 0.236 0.000 4.199 339 D HA -0.219 4.415 4.640 -0.011 0.000 0.291 339 D C 0.295 176.690 176.300 0.159 0.000 2.213 339 D CA 1.500 55.613 54.000 0.188 0.000 1.174 339 D CB -0.587 40.031 40.800 -0.302 0.000 1.012 339 D HN 0.496 nan 8.370 nan 0.000 1.213 340 T N -2.479 112.081 114.554 0.010 0.000 3.107 340 T HA 0.122 4.466 4.350 -0.011 0.000 0.249 340 T C 1.641 176.399 174.700 0.097 0.000 1.096 340 T CA 1.395 63.481 62.100 -0.023 0.000 1.012 340 T CB -0.487 68.337 68.868 -0.073 0.000 0.977 340 T HN 0.500 nan 8.240 nan 0.000 0.527 341 H N 2.666 121.819 119.070 0.138 0.000 2.353 341 H HA -0.023 4.527 4.556 -0.011 0.000 0.298 341 H C -0.870 174.544 175.328 0.143 0.000 1.103 341 H CA 1.148 57.295 56.048 0.165 0.000 1.293 341 H CB -0.854 29.006 29.762 0.164 0.000 1.372 341 H HN 0.444 nan 8.280 nan 0.000 0.501 342 P HA 0.077 nan 4.420 nan 0.000 0.259 342 P C 0.820 178.161 177.300 0.068 0.000 1.530 342 P CA 0.351 63.529 63.100 0.131 0.000 1.022 342 P CB 0.372 32.138 31.700 0.111 0.000 1.514 343 S N -0.138 115.594 115.700 0.053 0.000 2.440 343 S HA -0.133 4.330 4.470 -0.011 0.000 0.238 343 S C 1.709 176.306 174.600 -0.004 0.000 1.010 343 S CA 0.818 59.009 58.200 -0.016 0.000 0.972 343 S CB -1.502 61.661 63.200 -0.062 0.000 0.774 343 S HN 0.151 nan 8.310 nan 0.000 0.501 344 L N 0.917 122.153 121.223 0.021 0.000 2.549 344 L HA 0.042 4.376 4.340 -0.011 0.000 0.229 344 L C 2.878 179.776 176.870 0.046 0.000 1.158 344 L CA 0.586 55.439 54.840 0.022 0.000 0.842 344 L CB -0.709 41.361 42.059 0.017 0.000 0.952 344 L HN 0.488 nan 8.230 nan 0.000 0.452 345 A N 0.435 123.265 122.820 0.017 0.000 1.972 345 A HA -0.170 4.144 4.320 -0.011 0.000 0.219 345 A C 2.171 179.753 177.584 -0.003 0.000 1.169 345 A CA 1.333 53.368 52.037 -0.004 0.000 0.635 345 A CB -0.387 18.604 19.000 -0.016 0.000 0.810 345 A HN 0.354 nan 8.150 nan 0.000 0.446 346 I N 0.344 120.914 120.570 -0.001 0.000 2.113 346 I HA -0.144 4.019 4.170 -0.011 0.000 0.238 346 I C -0.369 175.768 176.117 0.033 0.000 1.070 346 I CA 1.581 62.879 61.300 -0.003 0.000 1.332 346 I CB -0.883 37.120 38.000 0.004 0.000 1.044 346 I HN 0.241 nan 8.210 nan 0.000 0.402 347 P HA -0.171 nan 4.420 nan 0.000 0.221 347 P C 1.265 178.594 177.300 0.049 0.000 1.150 347 P CA 1.480 64.620 63.100 0.068 0.000 0.800 347 P CB 0.030 31.789 31.700 0.098 0.000 0.787 348 E N 0.214 120.499 120.200 0.143 0.000 2.107 348 E HA -0.137 4.207 4.350 -0.011 0.000 0.191 348 E C 1.897 178.488 176.600 -0.016 0.000 0.982 348 E CA 0.587 57.088 56.400 0.169 0.000 0.809 348 E CB -1.190 28.646 29.700 0.228 0.000 0.756 348 E HN -0.007 nan 8.360 nan 0.000 0.459 349 L N -0.009 121.175 121.223 -0.064 0.000 2.083 349 L HA -0.070 4.264 4.340 -0.011 0.000 0.209 349 L C 2.021 178.759 176.870 -0.220 0.000 1.083 349 L CA 1.693 56.439 54.840 -0.156 0.000 0.752 349 L CB -0.510 41.462 42.059 -0.145 0.000 0.899 349 L HN 0.234 nan 8.230 nan 0.000 0.433 350 M N -0.860 118.626 119.600 -0.190 0.000 2.132 350 M HA -0.180 4.294 4.480 -0.011 0.000 0.263 350 M C 2.419 178.560 176.300 -0.265 0.000 1.065 350 M CA 1.460 56.594 55.300 -0.277 0.000 1.122 350 M CB -1.135 31.291 32.600 -0.290 0.000 1.365 350 M HN 0.323 nan 8.290 nan 0.000 0.411 351 R N 0.069 120.440 120.500 -0.215 0.000 2.080 351 R HA -0.141 4.192 4.340 -0.011 0.000 0.236 351 R C 2.076 178.274 176.300 -0.171 0.000 1.137 351 R CA 1.746 57.719 56.100 -0.211 0.000 0.943 351 R CB -0.237 29.893 30.300 -0.283 0.000 0.846 351 R HN 0.193 nan 8.270 nan 0.000 0.431 352 V N 1.392 121.205 119.914 -0.168 0.000 2.295 352 V HA -0.256 3.857 4.120 -0.011 0.000 0.246 352 V C 2.412 178.345 176.094 -0.268 0.000 1.049 352 V CA 1.771 63.963 62.300 -0.180 0.000 1.024 352 V CB -0.392 31.323 31.823 -0.180 0.000 0.648 352 V HN 0.353 nan 8.190 nan 0.000 0.447 353 L N -0.712 120.293 121.223 -0.364 0.000 2.093 353 L HA -0.124 4.209 4.340 -0.011 0.000 0.208 353 L C 2.357 179.043 176.870 -0.307 0.000 1.085 353 L CA 1.080 55.642 54.840 -0.464 0.000 0.755 353 L CB -0.501 41.245 42.059 -0.522 0.000 0.904 353 L HN 0.210 nan 8.230 nan 0.000 0.435 354 V N -0.794 118.979 119.914 -0.235 0.000 2.426 354 V HA -0.160 3.954 4.120 -0.011 0.000 0.242 354 V C 1.919 177.967 176.094 -0.077 0.000 1.036 354 V CA 1.527 63.747 62.300 -0.134 0.000 1.044 354 V CB -0.274 31.488 31.823 -0.101 0.000 0.688 354 V HN 0.329 nan 8.190 nan 0.000 0.462 355 D N 0.060 120.409 120.400 -0.085 0.000 2.137 355 D HA -0.008 4.626 4.640 -0.011 0.000 0.202 355 D C 2.062 178.331 176.300 -0.052 0.000 0.970 355 D CA 1.208 55.175 54.000 -0.054 0.000 0.837 355 D CB 0.035 40.800 40.800 -0.058 0.000 0.981 355 D HN 0.314 nan 8.370 nan 0.000 0.475 356 L N 0.258 121.435 121.223 -0.077 0.000 2.262 356 L HA 0.104 4.438 4.340 -0.011 0.000 0.197 356 L C 1.846 178.678 176.870 -0.064 0.000 1.073 356 L CA 0.536 55.340 54.840 -0.060 0.000 0.800 356 L CB -0.162 41.861 42.059 -0.059 0.000 0.987 356 L HN -0.180 nan 8.230 nan 0.000 0.470 357 E N 0.831 120.955 120.200 -0.127 0.000 2.481 357 E HA -0.008 4.336 4.350 -0.011 0.000 0.195 357 E C 0.155 176.708 176.600 -0.079 0.000 1.047 357 E CA -0.015 56.313 56.400 -0.121 0.000 0.867 357 E CB 0.140 29.637 29.700 -0.339 0.000 0.858 357 E HN 0.262 nan 8.360 nan 0.000 0.513 358 R N -0.116 120.340 120.500 -0.075 0.000 3.641 358 R HA -0.204 4.129 4.340 -0.011 0.000 0.286 358 R C -0.281 176.000 176.300 -0.031 0.000 1.153 358 R CA 0.303 56.382 56.100 -0.035 0.000 0.775 358 R CB -2.545 27.754 30.300 -0.003 0.000 1.215 358 R HN 0.070 nan 8.270 nan 0.000 0.474 359 L N 1.942 123.118 121.223 -0.079 0.000 2.439 359 L HA 0.128 4.462 4.340 -0.011 0.000 0.261 359 L C 1.320 178.180 176.870 -0.017 0.000 1.153 359 L CA 0.248 55.054 54.840 -0.057 0.000 0.808 359 L CB 0.416 42.395 42.059 -0.133 0.000 1.126 359 L HN 0.119 nan 8.230 nan 0.000 0.460 360 D N 0.706 121.121 120.400 0.026 0.000 2.362 360 D HA -0.122 4.511 4.640 -0.011 0.000 0.242 360 D C 0.955 177.321 176.300 0.109 0.000 1.132 360 D CA -0.535 53.516 54.000 0.084 0.000 0.907 360 D CB 0.733 41.589 40.800 0.093 0.000 1.195 360 D HN 0.606 nan 8.370 nan 0.000 0.429 361 W N 2.694 123.999 121.300 0.008 0.000 2.289 361 W HA -0.271 4.382 4.660 -0.011 0.000 0.331 361 W C 1.191 177.756 176.519 0.078 0.000 1.283 361 W CA 2.117 59.474 57.345 0.021 0.000 1.252 361 W CB -0.375 29.079 29.460 -0.010 0.000 1.153 361 W HN 0.524 nan 8.180 nan 0.000 0.467 362 D N 0.016 120.629 120.400 0.355 0.000 2.158 362 D HA -0.214 4.419 4.640 -0.011 0.000 0.197 362 D C 2.051 178.452 176.300 0.168 0.000 0.995 362 D CA 1.408 55.583 54.000 0.293 0.000 0.846 362 D CB -0.405 40.543 40.800 0.246 0.000 0.941 362 D HN 0.149 nan 8.370 nan 0.000 0.456 363 K N 0.945 121.402 120.400 0.093 0.000 2.103 363 K HA -0.009 4.305 4.320 -0.011 0.000 0.204 363 K C 2.025 178.616 176.600 -0.015 0.000 1.052 363 K CA 0.757 57.073 56.287 0.048 0.000 0.945 363 K CB -0.144 32.380 32.500 0.040 0.000 0.722 363 K HN 0.011 nan 8.250 nan 0.000 0.443 364 A N 0.861 123.628 122.820 -0.089 0.000 1.902 364 A HA -0.190 4.123 4.320 -0.011 0.000 0.217 364 A C 2.084 179.574 177.584 -0.158 0.000 1.181 364 A CA 1.233 53.150 52.037 -0.201 0.000 0.623 364 A CB -1.022 17.783 19.000 -0.325 0.000 0.818 364 A HN 0.637 nan 8.150 nan 0.000 0.443 365 W N 0.668 121.761 121.300 -0.345 0.000 2.388 365 W HA -0.141 4.513 4.660 -0.010 0.000 0.294 365 W C 1.971 178.441 176.519 -0.082 0.000 1.212 365 W CA 1.753 58.954 57.345 -0.240 0.000 1.271 365 W CB -0.073 29.288 29.460 -0.165 0.000 1.126 365 W HN 0.592 nan 8.180 nan 0.000 0.535 366 E N 0.142 120.342 120.200 -0.001 0.000 2.051 366 E HA -0.218 4.125 4.350 -0.011 0.000 0.192 366 E C 2.040 178.569 176.600 -0.118 0.000 0.991 366 E CA 1.914 58.281 56.400 -0.055 0.000 0.799 366 E CB -0.284 29.437 29.700 0.034 0.000 0.748 366 E HN 0.066 nan 8.360 nan 0.000 0.449 367 V N 0.782 120.643 119.914 -0.087 0.000 2.295 367 V HA -0.270 3.844 4.120 -0.011 0.000 0.246 367 V C 2.446 178.486 176.094 -0.091 0.000 1.049 367 V CA 2.218 64.487 62.300 -0.051 0.000 1.024 367 V CB -0.899 30.892 31.823 -0.053 0.000 0.648 367 V HN 0.354 nan 8.190 nan 0.000 0.447 368 T N 0.186 114.613 114.554 -0.212 0.000 2.652 368 T HA -0.192 4.151 4.350 -0.011 0.000 0.267 368 T C 1.956 176.482 174.700 -0.290 0.000 1.039 368 T CA 1.862 63.809 62.100 -0.255 0.000 1.153 368 T CB -0.341 68.308 68.868 -0.365 0.000 0.863 368 T HN 0.275 nan 8.240 nan 0.000 0.428 369 V N 1.312 120.931 119.914 -0.493 0.000 2.332 369 V HA -0.180 3.933 4.120 -0.011 0.000 0.248 369 V C 2.388 178.440 176.094 -0.071 0.000 1.055 369 V CA 1.641 63.718 62.300 -0.372 0.000 1.038 369 V CB -0.500 31.034 31.823 -0.482 0.000 0.651 369 V HN 0.450 nan 8.190 nan 0.000 0.450 370 K N -0.259 120.080 120.400 -0.102 0.000 2.283 370 K HA -0.117 4.197 4.320 -0.011 0.000 0.202 370 K C 2.189 178.747 176.600 -0.069 0.000 1.048 370 K CA 1.595 57.802 56.287 -0.133 0.000 0.948 370 K CB -0.172 32.252 32.500 -0.127 0.000 0.742 370 K HN 0.655 nan 8.250 nan 0.000 0.458 371 T N -1.855 112.728 114.554 0.048 0.000 3.037 371 T HA 0.075 4.419 4.350 -0.011 0.000 0.252 371 T C 0.704 175.515 174.700 0.184 0.000 1.073 371 T CA -0.248 61.912 62.100 0.099 0.000 1.091 371 T CB -0.017 68.912 68.868 0.101 0.000 0.935 371 T HN 0.018 nan 8.240 nan 0.000 0.488 372 C N 2.645 122.042 119.300 0.161 0.000 2.401 372 C HA 0.910 5.363 4.460 -0.011 0.000 0.365 372 C C 0.574 175.625 174.990 0.101 0.000 1.250 372 C CA -0.768 58.321 59.018 0.118 0.000 2.131 372 C CB 0.142 27.888 27.740 0.010 0.000 2.445 372 C HN 0.747 nan 8.230 nan 0.000 0.550 373 A N 2.436 125.308 122.820 0.087 0.000 2.486 373 A HA 0.732 5.046 4.320 -0.011 0.000 0.300 373 A C -1.493 176.168 177.584 0.128 0.000 1.048 373 A CA -0.412 51.625 52.037 -0.000 0.000 0.696 373 A CB 0.969 19.993 19.000 0.041 0.000 1.278 373 A HN 0.938 nan 8.150 nan 0.000 0.405 374 Y N 1.257 121.508 120.300 -0.082 0.000 2.409 374 Y HA 0.669 5.213 4.550 -0.010 0.000 0.343 374 Y C -0.474 175.409 175.900 -0.028 0.000 0.973 374 Y CA -0.359 57.707 58.100 -0.056 0.000 1.064 374 Y CB 2.075 40.459 38.460 -0.127 0.000 1.207 374 Y HN 0.564 nan 8.280 nan 0.000 0.452 375 T N 6.414 120.772 114.554 -0.327 0.000 2.770 375 T HA 0.194 4.537 4.350 -0.011 0.000 0.283 375 T C -0.841 173.403 174.700 -0.761 0.000 0.988 375 T CA -0.828 61.001 62.100 -0.451 0.000 0.957 375 T CB 0.499 69.337 68.868 -0.051 0.000 0.930 375 T HN 0.645 nan 8.240 nan 0.000 0.443 376 N N 1.651 119.901 118.700 -0.749 0.000 2.473 376 N HA 0.150 4.883 4.740 -0.011 0.000 0.291 376 N C 0.007 175.384 175.510 -0.222 0.000 1.083 376 N CA -0.336 52.506 53.050 -0.345 0.000 0.951 376 N CB 0.822 39.273 38.487 -0.061 0.000 1.164 376 N HN 0.675 nan 8.380 nan 0.000 0.480 377 H N 0.824 119.923 119.070 0.048 0.000 3.058 377 H HA 0.174 4.724 4.556 -0.011 0.000 0.266 377 H C -0.203 175.031 175.328 -0.156 0.000 1.135 377 H CA -0.026 55.992 56.048 -0.049 0.000 1.174 377 H CB 1.183 30.928 29.762 -0.028 0.000 1.581 377 H HN 0.533 nan 8.280 nan 0.000 0.553 378 T N 0.155 114.725 114.554 0.027 0.000 2.827 378 T HA 0.234 4.578 4.350 -0.011 0.000 0.328 378 T C 0.231 174.951 174.700 0.033 0.000 1.598 378 T CA -0.286 61.778 62.100 -0.059 0.000 1.043 378 T CB 1.251 70.083 68.868 -0.061 0.000 1.447 378 T HN -0.050 nan 8.240 nan 0.000 0.491 379 V N 1.305 121.199 119.914 -0.034 0.000 3.477 379 V HA 0.506 4.620 4.120 -0.011 0.000 0.297 379 V C 0.929 176.986 176.094 -0.062 0.000 1.433 379 V CA -0.106 62.171 62.300 -0.040 0.000 1.052 379 V CB -0.628 31.172 31.823 -0.039 0.000 0.895 379 V HN 0.802 nan 8.190 nan 0.000 0.438 380 I N -0.012 120.508 120.570 -0.082 0.000 2.618 380 I HA 0.281 4.445 4.170 -0.011 0.000 0.284 380 I C -0.725 175.386 176.117 -0.009 0.000 1.146 380 I CA -1.534 59.742 61.300 -0.039 0.000 1.425 380 I CB 0.489 38.462 38.000 -0.045 0.000 1.383 380 I HN -0.018 nan 8.210 nan 0.000 0.562 381 P HA -0.223 nan 4.420 nan 0.000 0.216 381 P C 1.090 178.386 177.300 -0.006 0.000 1.150 381 P CA 1.496 64.593 63.100 -0.005 0.000 0.837 381 P CB -0.092 31.610 31.700 0.002 0.000 0.786 382 E N 0.306 120.530 120.200 0.039 0.000 2.472 382 E HA -0.049 4.294 4.350 -0.011 0.000 0.200 382 E C 1.513 178.089 176.600 -0.040 0.000 1.046 382 E CA 1.037 57.453 56.400 0.027 0.000 0.871 382 E CB -0.655 29.162 29.700 0.194 0.000 0.806 382 E HN 0.220 nan 8.360 nan 0.000 0.533 383 A N 0.973 123.800 122.820 0.012 0.000 2.220 383 A HA 0.220 4.534 4.320 -0.011 0.000 0.211 383 A C 1.117 178.685 177.584 -0.028 0.000 1.176 383 A CA -0.347 51.709 52.037 0.033 0.000 0.834 383 A CB 0.177 19.222 19.000 0.074 0.000 0.868 383 A HN 0.130 nan 8.150 nan 0.000 0.488 384 L N 1.837 123.001 121.223 -0.098 0.000 2.410 384 L HA 0.130 4.463 4.340 -0.011 0.000 0.273 384 L C -0.068 176.482 176.870 -0.534 0.000 1.152 384 L CA 0.454 55.178 54.840 -0.193 0.000 0.855 384 L CB 0.373 42.349 42.059 -0.139 0.000 1.129 384 L HN 0.408 nan 8.230 nan 0.000 0.463 385 E N 4.536 124.340 120.200 -0.661 0.000 2.129 385 E HA 0.206 4.549 4.350 -0.011 0.000 0.283 385 E C -0.439 175.539 176.600 -1.036 0.000 1.080 385 E CA -0.198 55.387 56.400 -1.360 0.000 0.867 385 E CB 0.747 30.003 29.700 -0.740 0.000 1.056 385 E HN 0.332 nan 8.360 nan 0.000 0.404 386 R N 3.475 123.213 120.500 -1.270 0.000 2.472 386 R HA 0.200 4.534 4.340 -0.011 0.000 0.294 386 R C -1.336 174.764 176.300 -0.334 0.000 1.243 386 R CA -0.474 55.310 56.100 -0.527 0.000 1.023 386 R CB 0.822 30.941 30.300 -0.302 0.000 1.157 386 R HN 0.450 nan 8.270 nan 0.000 0.530 387 W N 4.954 126.191 121.300 -0.106 0.000 2.311 387 W HA 0.289 4.942 4.660 -0.011 0.000 0.310 387 W C -1.867 174.631 176.519 -0.035 0.000 1.274 387 W CA -2.142 55.213 57.345 0.017 0.000 1.215 387 W CB 0.871 30.319 29.460 -0.020 0.000 1.227 387 W HN 0.286 nan 8.180 nan 0.000 0.523 388 P HA -0.081 nan 4.420 nan 0.000 0.265 388 P C 0.744 178.005 177.300 -0.064 0.000 1.193 388 P CA 0.173 63.285 63.100 0.020 0.000 0.765 388 P CB 0.823 32.420 31.700 -0.171 0.000 0.823 389 V N 3.100 123.025 119.914 0.019 0.000 2.407 389 V HA -0.271 3.843 4.120 -0.011 0.000 0.248 389 V C 2.113 178.215 176.094 0.013 0.000 1.055 389 V CA 2.452 64.770 62.300 0.030 0.000 1.049 389 V CB -1.710 30.188 31.823 0.126 0.000 0.662 389 V HN 0.762 nan 8.190 nan 0.000 0.455 390 H N -1.632 117.491 119.070 0.089 0.000 2.456 390 H HA -0.113 4.436 4.556 -0.011 0.000 0.296 390 H C 1.895 177.265 175.328 0.070 0.000 1.079 390 H CA 1.454 57.549 56.048 0.078 0.000 1.322 390 H CB -0.381 29.429 29.762 0.080 0.000 1.388 390 H HN 0.326 nan 8.280 nan 0.000 0.538 391 L N 0.386 121.397 121.223 -0.354 0.000 2.044 391 L HA 0.019 4.353 4.340 -0.011 0.000 0.205 391 L C 2.276 179.071 176.870 -0.126 0.000 1.075 391 L CA 1.233 55.970 54.840 -0.172 0.000 0.747 391 L CB -0.606 41.345 42.059 -0.181 0.000 0.903 391 L HN 0.383 nan 8.230 nan 0.000 0.435 392 L N -1.057 120.073 121.223 -0.155 0.000 2.201 392 L HA -0.192 4.142 4.340 -0.011 0.000 0.212 392 L C 2.449 179.241 176.870 -0.130 0.000 1.105 392 L CA 0.971 55.698 54.840 -0.188 0.000 0.775 392 L CB -0.346 41.595 42.059 -0.196 0.000 0.913 392 L HN 0.378 nan 8.230 nan 0.000 0.440 393 E N -0.500 119.669 120.200 -0.052 0.000 2.072 393 E HA -0.185 4.159 4.350 -0.011 0.000 0.191 393 E C 1.921 178.546 176.600 0.043 0.000 0.985 393 E CA 1.699 58.102 56.400 0.006 0.000 0.801 393 E CB 0.189 29.933 29.700 0.073 0.000 0.750 393 E HN 0.408 nan 8.360 nan 0.000 0.452 394 T N 0.847 115.447 114.554 0.076 0.000 2.809 394 T HA -0.080 4.263 4.350 -0.011 0.000 0.260 394 T C 1.725 176.524 174.700 0.166 0.000 1.039 394 T CA 0.620 62.817 62.100 0.160 0.000 1.141 394 T CB -0.098 68.896 68.868 0.209 0.000 0.869 394 T HN 0.055 nan 8.240 nan 0.000 0.437 395 L N 0.046 121.260 121.223 -0.014 0.000 2.127 395 L HA 0.341 4.675 4.340 -0.011 0.000 0.203 395 L C 0.291 177.082 176.870 -0.132 0.000 1.080 395 L CA 1.562 56.267 54.840 -0.224 0.000 0.768 395 L CB 0.030 41.920 42.059 -0.283 0.000 0.924 395 L HN 0.170 nan 8.230 nan 0.000 0.444 396 L N 0.653 121.761 121.223 -0.192 0.000 2.502 396 L HA 0.303 4.637 4.340 -0.011 0.000 0.249 396 L C -1.704 174.974 176.870 -0.319 0.000 1.446 396 L CA -1.014 53.630 54.840 -0.327 0.000 0.887 396 L CB 0.956 42.678 42.059 -0.561 0.000 1.126 396 L HN -0.077 nan 8.230 nan 0.000 0.509 397 P HA -0.207 nan 4.420 nan 0.000 0.215 397 P C 1.493 178.583 177.300 -0.351 0.000 1.153 397 P CA 1.238 64.201 63.100 -0.227 0.000 0.853 397 P CB 0.376 32.019 31.700 -0.095 0.000 0.788 398 R N -0.434 119.664 120.500 -0.669 0.000 2.092 398 R HA -0.135 4.198 4.340 -0.011 0.000 0.231 398 R C 2.341 178.311 176.300 -0.551 0.000 1.119 398 R CA 1.501 57.219 56.100 -0.636 0.000 0.970 398 R CB -1.314 28.436 30.300 -0.915 0.000 0.864 398 R HN 0.219 nan 8.270 nan 0.000 0.440 399 H N -0.268 118.477 119.070 -0.542 0.000 2.387 399 H HA -0.054 4.495 4.556 -0.011 0.000 0.299 399 H C 1.775 176.919 175.328 -0.305 0.000 1.090 399 H CA 1.628 57.445 56.048 -0.384 0.000 1.332 399 H CB -0.045 29.453 29.762 -0.439 0.000 1.386 399 H HN 0.104 nan 8.280 nan 0.000 0.516 400 L N 0.489 121.573 121.223 -0.231 0.000 2.046 400 L HA -0.242 4.091 4.340 -0.011 0.000 0.208 400 L C 1.828 178.489 176.870 -0.348 0.000 1.077 400 L CA 1.618 56.257 54.840 -0.335 0.000 0.747 400 L CB -0.283 41.603 42.059 -0.288 0.000 0.896 400 L HN 0.446 nan 8.230 nan 0.000 0.432 401 Q N -0.348 119.361 119.800 -0.151 0.000 2.084 401 Q HA -0.225 4.109 4.340 -0.011 0.000 0.202 401 Q C 2.163 178.176 176.000 0.022 0.000 0.978 401 Q CA 1.568 57.379 55.803 0.013 0.000 0.844 401 Q CB -0.070 28.680 28.738 0.020 0.000 0.898 401 Q HN 0.538 nan 8.270 nan 0.000 0.426 402 I N 0.355 120.913 120.570 -0.020 0.000 2.315 402 I HA -0.260 3.904 4.170 -0.011 0.000 0.248 402 I C 2.066 178.248 176.117 0.107 0.000 1.117 402 I CA 0.992 62.360 61.300 0.114 0.000 1.404 402 I CB -0.068 37.952 38.000 0.034 0.000 1.071 402 I HN 0.197 nan 8.210 nan 0.000 0.419 403 I N -0.671 119.881 120.570 -0.030 0.000 2.315 403 I HA -0.298 3.865 4.170 -0.011 0.000 0.248 403 I C 2.296 178.419 176.117 0.011 0.000 1.117 403 I CA 1.260 62.532 61.300 -0.046 0.000 1.404 403 I CB -0.321 37.580 38.000 -0.165 0.000 1.071 403 I HN 0.166 nan 8.210 nan 0.000 0.419 404 Y N 0.893 121.193 120.300 0.001 0.000 2.200 404 Y HA -0.255 4.289 4.550 -0.011 0.000 0.290 404 Y C 2.601 178.464 175.900 -0.061 0.000 1.137 404 Y CA 1.487 59.575 58.100 -0.021 0.000 1.163 404 Y CB -0.728 37.713 38.460 -0.032 0.000 0.988 404 Y HN 0.197 nan 8.280 nan 0.000 0.518 405 E N 0.389 120.628 120.200 0.064 0.000 2.106 405 E HA -0.132 4.211 4.350 -0.011 0.000 0.192 405 E C 2.020 178.529 176.600 -0.153 0.000 0.984 405 E CA 1.233 57.532 56.400 -0.168 0.000 0.806 405 E CB -0.541 28.909 29.700 -0.417 0.000 0.750 405 E HN 0.477 nan 8.360 nan 0.000 0.458 406 I N 0.616 121.191 120.570 0.010 0.000 2.179 406 I HA -0.260 3.904 4.170 -0.011 0.000 0.242 406 I C 2.283 178.393 176.117 -0.012 0.000 1.088 406 I CA 1.318 62.579 61.300 -0.065 0.000 1.357 406 I CB -0.407 37.565 38.000 -0.046 0.000 1.051 406 I HN 0.213 nan 8.210 nan 0.000 0.409 407 N N 0.795 119.540 118.700 0.074 0.000 2.069 407 N HA -0.261 4.473 4.740 -0.011 0.000 0.191 407 N C 1.858 177.452 175.510 0.140 0.000 1.031 407 N CA 1.628 54.775 53.050 0.161 0.000 0.852 407 N CB -0.125 38.475 38.487 0.188 0.000 1.018 407 N HN 0.271 nan 8.380 nan 0.000 0.423 408 Q N -0.131 119.696 119.800 0.046 0.000 2.014 408 Q HA -0.147 4.187 4.340 -0.011 0.000 0.207 408 Q C 2.089 178.072 176.000 -0.029 0.000 0.993 408 Q CA 1.824 57.617 55.803 -0.018 0.000 0.850 408 Q CB -0.032 28.649 28.738 -0.095 0.000 0.916 408 Q HN 0.414 nan 8.270 nan 0.000 0.417 409 R N -0.772 119.684 120.500 -0.074 0.000 2.120 409 R HA -0.142 4.192 4.340 -0.011 0.000 0.234 409 R C 2.168 178.489 176.300 0.035 0.000 1.123 409 R CA 1.196 57.252 56.100 -0.073 0.000 0.975 409 R CB -0.406 29.795 30.300 -0.164 0.000 0.866 409 R HN 0.278 nan 8.270 nan 0.000 0.446 410 F N 1.668 121.589 119.950 -0.048 0.000 2.113 410 F HA -0.069 4.451 4.527 -0.011 0.000 0.297 410 F C 1.942 177.766 175.800 0.040 0.000 1.103 410 F CA 1.237 59.258 58.000 0.035 0.000 1.248 410 F CB -0.235 38.819 39.000 0.089 0.000 0.999 410 F HN -0.141 nan 8.300 nan 0.000 0.475 411 L N 0.089 121.324 121.223 0.020 0.000 2.191 411 L HA -0.235 4.098 4.340 -0.011 0.000 0.212 411 L C 1.931 178.732 176.870 -0.116 0.000 1.103 411 L CA 1.488 56.275 54.840 -0.088 0.000 0.769 411 L CB -0.857 41.220 42.059 0.030 0.000 0.908 411 L HN 0.280 nan 8.230 nan 0.000 0.438 412 N N -0.316 118.334 118.700 -0.083 0.000 2.188 412 N HA -0.154 4.579 4.740 -0.011 0.000 0.184 412 N C 1.937 177.387 175.510 -0.101 0.000 1.018 412 N CA 0.604 53.608 53.050 -0.077 0.000 0.858 412 N CB 0.040 38.489 38.487 -0.063 0.000 0.989 412 N HN 0.225 nan 8.380 nan 0.000 0.426 413 R N 0.575 120.993 120.500 -0.137 0.000 2.075 413 R HA -0.051 4.283 4.340 -0.011 0.000 0.232 413 R C 2.100 178.285 176.300 -0.192 0.000 1.126 413 R CA 0.876 56.887 56.100 -0.147 0.000 0.963 413 R CB -0.167 30.045 30.300 -0.146 0.000 0.858 413 R HN 0.051 nan 8.270 nan 0.000 0.435 414 V N 0.588 120.338 119.914 -0.275 0.000 2.295 414 V HA -0.228 3.886 4.120 -0.011 0.000 0.246 414 V C 2.351 178.434 176.094 -0.019 0.000 1.049 414 V CA 1.934 64.145 62.300 -0.148 0.000 1.024 414 V CB -0.733 30.948 31.823 -0.237 0.000 0.648 414 V HN 0.445 nan 8.190 nan 0.000 0.447 415 A N 0.092 122.877 122.820 -0.058 0.000 1.940 415 A HA -0.141 4.172 4.320 -0.011 0.000 0.219 415 A C 2.399 179.956 177.584 -0.046 0.000 1.176 415 A CA 2.192 54.213 52.037 -0.027 0.000 0.631 415 A CB -0.725 18.251 19.000 -0.040 0.000 0.814 415 A HN 0.584 nan 8.150 nan 0.000 0.446 416 A N -0.476 122.294 122.820 -0.083 0.000 1.930 416 A HA 0.260 4.573 4.320 -0.011 0.000 0.217 416 A C 2.429 179.913 177.584 -0.166 0.000 1.175 416 A CA 1.810 53.787 52.037 -0.101 0.000 0.627 416 A CB -0.776 18.168 19.000 -0.093 0.000 0.815 416 A HN 0.992 nan 8.150 nan 0.000 0.443 417 A N -1.476 121.186 122.820 -0.263 0.000 1.970 417 A HA 0.317 4.631 4.320 -0.011 0.000 0.216 417 A C 0.502 177.619 177.584 -0.777 0.000 1.170 417 A CA 0.624 52.319 52.037 -0.570 0.000 0.645 417 A CB -0.234 18.293 19.000 -0.787 0.000 0.816 417 A HN 0.447 nan 8.150 nan 0.000 0.447 418 F N -0.082 119.820 119.950 -0.080 0.000 2.584 418 F HA 0.347 4.868 4.527 -0.011 0.000 0.328 418 F C -2.755 173.008 175.800 -0.062 0.000 1.407 418 F CA -2.943 55.015 58.000 -0.069 0.000 1.145 418 F CB 0.609 39.560 39.000 -0.081 0.000 1.440 418 F HN -0.080 nan 8.300 nan 0.000 0.580 419 P HA 0.137 nan 4.420 nan 0.000 0.262 419 P C 1.055 178.376 177.300 0.034 0.000 1.182 419 P CA 1.232 64.345 63.100 0.021 0.000 0.761 419 P CB 0.752 32.447 31.700 -0.009 0.000 0.795 420 G N 2.789 111.602 108.800 0.020 0.000 2.234 420 G HA2 -0.258 3.695 3.960 -0.011 0.000 0.260 420 G HA3 -0.258 3.695 3.960 -0.011 0.000 0.260 420 G C 0.440 175.348 174.900 0.014 0.000 0.987 420 G CA 0.081 45.189 45.100 0.013 0.000 0.625 420 G HN 0.595 nan 8.290 nan 0.000 0.532 421 D N 1.109 121.526 120.400 0.028 0.000 2.600 421 D HA 0.356 4.989 4.640 -0.011 0.000 0.226 421 D C 1.679 177.968 176.300 -0.018 0.000 1.119 421 D CA 0.483 54.483 54.000 -0.000 0.000 1.051 421 D CB 0.438 41.232 40.800 -0.010 0.000 1.106 421 D HN 0.170 nan 8.370 nan 0.000 0.491 422 V N 2.589 122.495 119.914 -0.014 0.000 2.469 422 V HA -0.245 3.869 4.120 -0.011 0.000 0.251 422 V C 1.688 177.770 176.094 -0.021 0.000 1.064 422 V CA 2.136 64.427 62.300 -0.014 0.000 1.066 422 V CB -0.055 31.762 31.823 -0.009 0.000 0.667 422 V HN 0.374 nan 8.190 nan 0.000 0.461 423 D N -0.694 119.688 120.400 -0.029 0.000 2.183 423 D HA -0.166 4.467 4.640 -0.011 0.000 0.203 423 D C 2.351 178.620 176.300 -0.050 0.000 0.969 423 D CA 1.085 55.067 54.000 -0.030 0.000 0.842 423 D CB -0.203 40.579 40.800 -0.030 0.000 0.957 423 D HN 0.398 nan 8.370 nan 0.000 0.484 424 R N -0.279 120.167 120.500 -0.091 0.000 2.096 424 R HA -0.117 4.217 4.340 -0.011 0.000 0.235 424 R C 1.841 178.073 176.300 -0.114 0.000 1.127 424 R CA 0.696 56.705 56.100 -0.152 0.000 0.968 424 R CB -0.227 29.914 30.300 -0.266 0.000 0.861 424 R HN 0.166 nan 8.270 nan 0.000 0.440 425 L N 1.513 122.696 121.223 -0.067 0.000 1.989 425 L HA -0.206 4.128 4.340 -0.011 0.000 0.211 425 L C 2.556 179.431 176.870 0.008 0.000 1.071 425 L CA 2.180 57.000 54.840 -0.033 0.000 0.749 425 L CB -0.723 41.326 42.059 -0.017 0.000 0.890 425 L HN 0.295 nan 8.230 nan 0.000 0.431 426 R N -1.265 119.245 120.500 0.017 0.000 2.115 426 R HA -0.064 4.270 4.340 -0.011 0.000 0.226 426 R C 2.176 178.529 176.300 0.087 0.000 1.100 426 R CA 0.997 57.130 56.100 0.054 0.000 0.980 426 R CB -0.596 29.729 30.300 0.042 0.000 0.875 426 R HN 0.197 nan 8.270 nan 0.000 0.445 427 R N 0.340 120.872 120.500 0.054 0.000 2.092 427 R HA 0.088 4.421 4.340 -0.011 0.000 0.231 427 R C 2.005 178.386 176.300 0.136 0.000 1.119 427 R CA 1.707 57.862 56.100 0.092 0.000 0.970 427 R CB -0.178 30.135 30.300 0.021 0.000 0.864 427 R HN 0.318 nan 8.270 nan 0.000 0.440 428 M N 0.192 119.797 119.600 0.007 0.000 2.556 428 M HA 0.039 4.512 4.480 -0.011 0.000 0.245 428 M C 0.783 177.249 176.300 0.276 0.000 1.128 428 M CA 0.025 55.281 55.300 -0.074 0.000 1.069 428 M CB 0.476 32.884 32.600 -0.320 0.000 1.469 428 M HN -0.089 nan 8.290 nan 0.000 0.494 429 S N 1.028 116.902 115.700 0.290 0.000 2.558 429 S HA 0.087 4.551 4.470 -0.011 0.000 0.288 429 S C 1.101 175.968 174.600 0.444 0.000 1.318 429 S CA -0.276 58.120 58.200 0.327 0.000 1.056 429 S CB 0.559 63.889 63.200 0.216 0.000 0.853 429 S HN 0.378 nan 8.310 nan 0.000 0.505 430 L N 4.167 125.597 121.223 0.344 0.000 2.395 430 L HA 0.124 4.457 4.340 -0.011 0.000 0.218 430 L C 0.125 177.093 176.870 0.163 0.000 1.130 430 L CA 0.235 55.228 54.840 0.255 0.000 0.826 430 L CB -0.347 41.803 42.059 0.152 0.000 0.941 430 L HN 0.388 nan 8.230 nan 0.000 0.451 431 V N 0.657 120.685 119.914 0.190 0.000 2.347 431 V HA 0.195 4.308 4.120 -0.011 0.000 0.280 431 V C 0.018 176.195 176.094 0.139 0.000 1.021 431 V CA -0.625 61.773 62.300 0.164 0.000 0.847 431 V CB 1.509 33.467 31.823 0.225 0.000 0.990 431 V HN 0.154 nan 8.190 nan 0.000 0.444 432 E N 3.280 123.541 120.200 0.101 0.000 2.146 432 E HA 0.367 4.710 4.350 -0.011 0.000 0.282 432 E C -0.512 176.137 176.600 0.082 0.000 0.989 432 E CA -0.438 56.013 56.400 0.084 0.000 0.799 432 E CB 1.743 31.472 29.700 0.048 0.000 1.088 432 E HN 0.622 nan 8.360 nan 0.000 0.397 433 E N 1.039 121.285 120.200 0.076 0.000 2.351 433 E HA 0.586 4.930 4.350 -0.011 0.000 0.255 433 E C 0.321 176.956 176.600 0.058 0.000 1.188 433 E CA 0.585 57.025 56.400 0.066 0.000 0.940 433 E CB 1.202 30.935 29.700 0.055 0.000 1.094 433 E HN 0.635 nan 8.360 nan 0.000 0.474 434 G N -0.593 108.238 108.800 0.053 0.000 2.250 434 G HA2 0.163 4.117 3.960 -0.011 0.000 0.252 434 G HA3 0.163 4.117 3.960 -0.011 0.000 0.252 434 G C 0.547 175.476 174.900 0.049 0.000 1.325 434 G CA 0.324 45.452 45.100 0.047 0.000 1.091 434 G HN 0.664 nan 8.290 nan 0.000 0.476 435 A N -0.754 122.094 122.820 0.047 0.000 1.863 435 A HA 0.287 4.601 4.320 -0.011 0.000 0.218 435 A C 1.831 179.452 177.584 0.062 0.000 1.233 435 A CA 4.503 56.568 52.037 0.047 0.000 0.655 435 A CB -1.211 17.816 19.000 0.046 0.000 0.839 435 A HN 2.428 nan 8.150 nan 0.000 0.454 436 V N -2.594 117.369 119.914 0.082 0.000 2.604 436 V HA 0.553 4.667 4.120 -0.011 0.000 0.305 436 V C -0.528 175.636 176.094 0.116 0.000 1.043 436 V CA -1.351 61.019 62.300 0.117 0.000 0.888 436 V CB 1.602 33.526 31.823 0.168 0.000 0.995 436 V HN 0.396 nan 8.190 nan 0.000 0.429 437 K N 4.171 124.648 120.400 0.128 0.000 2.414 437 K HA 0.462 4.776 4.320 -0.011 0.000 0.272 437 K C -0.399 176.272 176.600 0.119 0.000 0.993 437 K CA -0.106 56.253 56.287 0.121 0.000 0.964 437 K CB 0.749 33.334 32.500 0.141 0.000 0.925 437 K HN 0.754 nan 8.250 nan 0.000 0.487 438 R N 1.128 121.685 120.500 0.095 0.000 2.774 438 R HA 0.456 4.790 4.340 -0.011 0.000 0.272 438 R C -0.792 175.542 176.300 0.056 0.000 1.000 438 R CA -0.944 55.201 56.100 0.074 0.000 0.906 438 R CB 1.327 31.652 30.300 0.042 0.000 1.227 438 R HN 0.377 nan 8.270 nan 0.000 0.468 439 I N 1.922 122.520 120.570 0.046 0.000 2.354 439 I HA 0.175 4.338 4.170 -0.011 0.000 0.292 439 I C -0.186 175.906 176.117 -0.042 0.000 0.989 439 I CA -0.706 60.605 61.300 0.019 0.000 1.188 439 I CB 1.245 39.254 38.000 0.015 0.000 1.342 439 I HN 0.510 nan 8.210 nan 0.000 0.457 440 N N 7.158 125.799 118.700 -0.100 0.000 2.439 440 N HA 0.085 4.819 4.740 -0.011 0.000 0.243 440 N C 0.834 176.229 175.510 -0.193 0.000 1.088 440 N CA -0.346 52.559 53.050 -0.240 0.000 0.940 440 N CB 0.945 39.126 38.487 -0.510 0.000 1.180 440 N HN 0.377 nan 8.380 nan 0.000 0.505 441 M N 2.417 121.914 119.600 -0.172 0.000 2.279 441 M HA -0.082 4.392 4.480 -0.011 0.000 0.264 441 M C 1.899 178.053 176.300 -0.243 0.000 1.062 441 M CA 0.735 55.950 55.300 -0.141 0.000 1.099 441 M CB -1.539 31.020 32.600 -0.068 0.000 1.394 441 M HN 0.604 nan 8.290 nan 0.000 0.426 442 A N -0.580 122.093 122.820 -0.245 0.000 1.898 442 A HA -0.156 4.157 4.320 -0.011 0.000 0.216 442 A C 1.980 179.344 177.584 -0.366 0.000 1.181 442 A CA 1.342 53.201 52.037 -0.298 0.000 0.620 442 A CB -1.078 17.942 19.000 0.034 0.000 0.819 442 A HN 0.594 nan 8.150 nan 0.000 0.442 443 H N -1.015 117.839 119.070 -0.359 0.000 2.389 443 H HA -0.019 4.531 4.556 -0.011 0.000 0.299 443 H C 2.106 177.210 175.328 -0.373 0.000 1.081 443 H CA 0.887 56.680 56.048 -0.425 0.000 1.345 443 H CB -0.036 29.699 29.762 -0.045 0.000 1.393 443 H HN 0.368 nan 8.280 nan 0.000 0.520 444 L N 0.358 121.497 121.223 -0.141 0.000 2.017 444 L HA -0.226 4.107 4.340 -0.011 0.000 0.208 444 L C 2.243 178.980 176.870 -0.221 0.000 1.073 444 L CA 1.302 56.060 54.840 -0.137 0.000 0.745 444 L CB -0.388 41.613 42.059 -0.098 0.000 0.894 444 L HN 0.441 nan 8.230 nan 0.000 0.432 445 C N -0.028 119.039 119.300 -0.388 0.000 2.425 445 C HA -0.165 4.289 4.460 -0.011 0.000 0.277 445 C C 2.655 177.406 174.990 -0.398 0.000 1.280 445 C CA 0.577 59.288 59.018 -0.511 0.000 1.744 445 C CB -0.756 26.286 27.740 -1.163 0.000 1.989 445 C HN 0.511 nan 8.230 nan 0.000 0.491 446 I N 1.332 121.624 120.570 -0.463 0.000 2.202 446 I HA -0.168 3.995 4.170 -0.011 0.000 0.242 446 I C 2.730 178.709 176.117 -0.230 0.000 1.091 446 I CA 1.599 62.664 61.300 -0.392 0.000 1.368 446 I CB -0.509 37.095 38.000 -0.660 0.000 1.058 446 I HN 0.248 nan 8.210 nan 0.000 0.410 447 A N 0.460 123.117 122.820 -0.271 0.000 1.933 447 A HA -0.081 4.232 4.320 -0.011 0.000 0.218 447 A C 2.199 179.846 177.584 0.105 0.000 1.175 447 A CA 1.828 53.754 52.037 -0.184 0.000 0.628 447 A CB -1.108 17.575 19.000 -0.529 0.000 0.814 447 A HN 0.475 nan 8.150 nan 0.000 0.444 448 G N -1.146 107.648 108.800 -0.009 0.000 3.337 448 G HA2 0.421 4.374 3.960 -0.011 0.000 0.246 448 G HA3 0.421 4.374 3.960 -0.011 0.000 0.246 448 G C 0.079 174.825 174.900 -0.257 0.000 1.131 448 G CA 0.464 45.435 45.100 -0.215 0.000 0.773 448 G HN 0.344 nan 8.290 nan 0.000 0.544 449 S N -0.336 115.270 115.700 -0.156 0.000 2.566 449 S HA 0.334 4.797 4.470 -0.011 0.000 0.298 449 S C 0.671 175.229 174.600 -0.071 0.000 1.083 449 S CA -0.717 57.416 58.200 -0.111 0.000 0.978 449 S CB 1.281 64.419 63.200 -0.104 0.000 1.073 449 S HN 0.498 nan 8.310 nan 0.000 0.491 450 H N -0.271 118.768 119.070 -0.052 0.000 2.548 450 H HA 0.535 5.084 4.556 -0.011 0.000 0.265 450 H C 0.075 175.396 175.328 -0.012 0.000 0.969 450 H CA 0.181 56.224 56.048 -0.008 0.000 1.155 450 H CB 0.137 29.907 29.762 0.013 0.000 1.394 450 H HN 0.522 nan 8.280 nan 0.000 0.570 451 A N 0.872 123.405 122.820 -0.477 0.000 2.520 451 A HA 0.564 4.877 4.320 -0.011 0.000 0.298 451 A C -1.472 175.915 177.584 -0.329 0.000 1.051 451 A CA -0.563 51.239 52.037 -0.391 0.000 0.690 451 A CB 2.201 20.931 19.000 -0.451 0.000 1.281 451 A HN 0.095 nan 8.150 nan 0.000 0.402 452 V N 3.862 123.546 119.914 -0.383 0.000 2.577 452 V HA 0.563 4.677 4.120 -0.011 0.000 0.303 452 V C -0.823 175.073 176.094 -0.330 0.000 1.042 452 V CA -0.776 61.283 62.300 -0.403 0.000 0.872 452 V CB 1.884 33.312 31.823 -0.657 0.000 0.998 452 V HN 1.037 nan 8.190 nan 0.000 0.423 453 N N 2.883 121.408 118.700 -0.292 0.000 2.262 453 N HA 0.624 5.358 4.740 -0.011 0.000 0.295 453 N C -0.295 175.108 175.510 -0.178 0.000 1.161 453 N CA -0.358 52.567 53.050 -0.209 0.000 0.767 453 N CB 2.892 41.236 38.487 -0.238 0.000 1.499 453 N HN 0.662 nan 8.380 nan 0.000 0.476 454 G N -0.812 107.921 108.800 -0.112 0.000 2.511 454 G HA2 0.425 4.379 3.960 -0.011 0.000 0.316 454 G HA3 0.425 4.379 3.960 -0.011 0.000 0.316 454 G C 0.765 175.725 174.900 0.099 0.000 1.210 454 G CA -0.503 44.582 45.100 -0.025 0.000 0.969 454 G HN 0.630 nan 8.290 nan 0.000 0.492 455 V N -3.581 116.511 119.914 0.296 0.000 3.483 455 V HA 0.689 4.802 4.120 -0.011 0.000 0.301 455 V C 0.576 176.752 176.094 0.137 0.000 1.389 455 V CA 0.351 62.737 62.300 0.143 0.000 1.101 455 V CB -0.791 31.072 31.823 0.066 0.000 0.971 455 V HN 1.309 nan 8.190 nan 0.000 0.434 456 A N -0.181 122.729 122.820 0.150 0.000 2.594 456 A HA 0.628 4.941 4.320 -0.011 0.000 0.296 456 A C 0.698 178.330 177.584 0.080 0.000 1.061 456 A CA -0.173 51.930 52.037 0.110 0.000 0.689 456 A CB 1.231 20.288 19.000 0.095 0.000 1.280 456 A HN 0.014 nan 8.150 nan 0.000 0.406 457 R N 0.881 121.408 120.500 0.045 0.000 2.113 457 R HA -0.179 4.154 4.340 -0.011 0.000 0.244 457 R C 1.699 177.997 176.300 -0.004 0.000 1.142 457 R CA 2.357 58.461 56.100 0.008 0.000 0.953 457 R CB -0.235 30.065 30.300 0.001 0.000 0.860 457 R HN 0.832 nan 8.270 nan 0.000 0.438 458 I N 0.104 120.681 120.570 0.012 0.000 2.286 458 I HA -0.294 3.869 4.170 -0.011 0.000 0.248 458 I C 2.345 178.471 176.117 0.014 0.000 1.115 458 I CA 1.864 63.164 61.300 -0.000 0.000 1.392 458 I CB -0.232 37.768 38.000 -0.000 0.000 1.065 458 I HN 0.333 nan 8.210 nan 0.000 0.418 459 H N 0.270 119.312 119.070 -0.046 0.000 2.357 459 H HA -0.114 4.436 4.556 -0.011 0.000 0.301 459 H C 2.256 177.550 175.328 -0.056 0.000 1.082 459 H CA 2.167 58.183 56.048 -0.054 0.000 1.342 459 H CB -0.273 29.463 29.762 -0.044 0.000 1.389 459 H HN 0.236 nan 8.280 nan 0.000 0.511 460 S N 0.196 115.773 115.700 -0.205 0.000 2.399 460 S HA -0.116 4.348 4.470 -0.011 0.000 0.231 460 S C 1.882 176.361 174.600 -0.202 0.000 1.022 460 S CA 1.184 59.243 58.200 -0.235 0.000 0.983 460 S CB -0.062 63.072 63.200 -0.110 0.000 0.803 460 S HN 0.475 nan 8.310 nan 0.000 0.480 461 E N 1.118 121.223 120.200 -0.159 0.000 2.072 461 E HA 0.043 4.387 4.350 -0.011 0.000 0.190 461 E C 1.987 178.474 176.600 -0.188 0.000 0.982 461 E CA 0.582 56.880 56.400 -0.169 0.000 0.803 461 E CB -0.347 29.284 29.700 -0.116 0.000 0.755 461 E HN 0.496 nan 8.360 nan 0.000 0.453 462 I N 0.919 121.392 120.570 -0.162 0.000 2.361 462 I HA -0.256 3.907 4.170 -0.011 0.000 0.251 462 I C 2.305 178.297 176.117 -0.208 0.000 1.133 462 I CA 0.678 61.887 61.300 -0.152 0.000 1.413 462 I CB -0.135 37.808 38.000 -0.095 0.000 1.073 462 I HN 0.062 nan 8.210 nan 0.000 0.424 463 L N 0.238 121.301 121.223 -0.267 0.000 2.056 463 L HA -0.217 4.116 4.340 -0.011 0.000 0.207 463 L C 2.482 179.234 176.870 -0.196 0.000 1.078 463 L CA 1.519 56.208 54.840 -0.252 0.000 0.749 463 L CB -0.515 41.458 42.059 -0.143 0.000 0.901 463 L HN 0.187 nan 8.230 nan 0.000 0.433 464 K N -0.067 120.151 120.400 -0.302 0.000 2.155 464 K HA -0.118 4.196 4.320 -0.011 0.000 0.203 464 K C 2.082 178.477 176.600 -0.341 0.000 1.052 464 K CA 0.963 56.932 56.287 -0.530 0.000 0.948 464 K CB 0.074 32.024 32.500 -0.916 0.000 0.728 464 K HN 0.220 nan 8.250 nan 0.000 0.448 465 K N -0.081 120.173 120.400 -0.244 0.000 2.243 465 K HA -0.046 4.268 4.320 -0.011 0.000 0.201 465 K C 1.898 178.436 176.600 -0.102 0.000 1.051 465 K CA 1.470 57.667 56.287 -0.149 0.000 0.970 465 K CB 0.391 32.815 32.500 -0.127 0.000 0.755 465 K HN 0.291 nan 8.250 nan 0.000 0.465 466 T N -1.779 112.703 114.554 -0.119 0.000 3.364 466 T HA 0.062 4.406 4.350 -0.011 0.000 0.179 466 T C 1.671 176.313 174.700 -0.096 0.000 0.939 466 T CA -0.322 61.722 62.100 -0.094 0.000 1.094 466 T CB -0.709 68.100 68.868 -0.098 0.000 1.532 466 T HN -0.065 nan 8.240 nan 0.000 0.346 467 I N 0.963 121.410 120.570 -0.204 0.000 2.181 467 I HA -0.052 4.111 4.170 -0.011 0.000 0.247 467 I C 1.028 177.037 176.117 -0.180 0.000 1.081 467 I CA 1.799 62.901 61.300 -0.331 0.000 1.340 467 I CB -0.175 37.397 38.000 -0.713 0.000 1.036 467 I HN 0.503 nan 8.210 nan 0.000 0.417 468 F N -0.691 119.330 119.950 0.119 0.000 2.791 468 F HA 0.218 4.738 4.527 -0.011 0.000 0.308 468 F C 1.744 177.637 175.800 0.154 0.000 1.138 468 F CA -0.506 57.644 58.000 0.250 0.000 1.294 468 F CB -0.072 39.096 39.000 0.279 0.000 0.975 468 F HN -0.143 nan 8.300 nan 0.000 0.512 469 K N 1.023 121.530 120.400 0.179 0.000 2.044 469 K HA -0.220 4.094 4.320 -0.011 0.000 0.210 469 K C 1.274 177.925 176.600 0.085 0.000 1.049 469 K CA 2.150 58.484 56.287 0.079 0.000 0.927 469 K CB -0.022 32.490 32.500 0.019 0.000 0.713 469 K HN 0.218 nan 8.250 nan 0.000 0.443 470 D N -0.254 120.171 120.400 0.042 0.000 2.144 470 D HA -0.157 4.477 4.640 -0.011 0.000 0.199 470 D C 1.811 178.023 176.300 -0.147 0.000 0.984 470 D CA 1.186 55.086 54.000 -0.167 0.000 0.834 470 D CB -0.260 40.342 40.800 -0.331 0.000 0.955 470 D HN 0.234 nan 8.370 nan 0.000 0.465 471 F N -0.206 119.827 119.950 0.137 0.000 2.163 471 F HA -0.121 4.400 4.527 -0.011 0.000 0.297 471 F C 2.331 178.271 175.800 0.234 0.000 1.094 471 F CA 0.440 58.599 58.000 0.265 0.000 1.290 471 F CB -0.672 38.560 39.000 0.387 0.000 1.017 471 F HN -0.048 nan 8.300 nan 0.000 0.483 472 Y N 1.364 121.628 120.300 -0.061 0.000 2.224 472 Y HA -0.193 4.350 4.550 -0.011 0.000 0.289 472 Y C 2.084 177.959 175.900 -0.041 0.000 1.146 472 Y CA 1.603 59.463 58.100 -0.400 0.000 1.182 472 Y CB -0.587 37.445 38.460 -0.714 0.000 0.983 472 Y HN 0.141 nan 8.280 nan 0.000 0.524 473 E N -0.160 119.993 120.200 -0.078 0.000 2.106 473 E HA -0.181 4.163 4.350 -0.011 0.000 0.192 473 E C 2.245 178.908 176.600 0.105 0.000 0.984 473 E CA 0.955 57.323 56.400 -0.053 0.000 0.806 473 E CB -0.195 29.519 29.700 0.023 0.000 0.750 473 E HN 0.442 nan 8.360 nan 0.000 0.458 474 L N 0.797 122.130 121.223 0.183 0.000 2.044 474 L HA -0.082 4.252 4.340 -0.011 0.000 0.205 474 L C 0.157 177.110 176.870 0.139 0.000 1.075 474 L CA 1.483 56.458 54.840 0.225 0.000 0.747 474 L CB 0.118 42.316 42.059 0.231 0.000 0.903 474 L HN 0.074 nan 8.230 nan 0.000 0.435 475 E N -0.067 120.213 120.200 0.134 0.000 3.132 475 E HA 0.163 4.507 4.350 -0.011 0.000 0.241 475 E C -1.967 174.577 176.600 -0.094 0.000 1.196 475 E CA -1.399 54.989 56.400 -0.019 0.000 0.869 475 E CB 0.986 30.654 29.700 -0.053 0.000 1.387 475 E HN 0.185 nan 8.360 nan 0.000 0.393 476 P HA -0.254 nan 4.420 nan 0.000 0.218 476 P C 1.205 178.596 177.300 0.151 0.000 1.148 476 P CA 1.418 64.407 63.100 -0.184 0.000 0.822 476 P CB -0.082 31.385 31.700 -0.388 0.000 0.784 477 H N 0.281 119.452 119.070 0.168 0.000 2.489 477 H HA 0.049 4.599 4.556 -0.011 0.000 0.293 477 H C 1.442 176.865 175.328 0.158 0.000 1.066 477 H CA 0.821 56.960 56.048 0.152 0.000 1.305 477 H CB -0.668 29.154 29.762 0.100 0.000 1.386 477 H HN 0.170 nan 8.280 nan 0.000 0.551 478 K N 0.486 120.790 120.400 -0.159 0.000 2.155 478 K HA 0.037 4.351 4.320 -0.011 0.000 0.203 478 K C 0.029 176.505 176.600 -0.206 0.000 1.052 478 K CA 0.309 56.485 56.287 -0.185 0.000 0.948 478 K CB 0.052 32.324 32.500 -0.381 0.000 0.728 478 K HN 0.127 nan 8.250 nan 0.000 0.448 479 F N 2.089 122.076 119.950 0.061 0.000 2.467 479 F HA 0.115 4.636 4.527 -0.011 0.000 0.362 479 F C 0.617 176.425 175.800 0.013 0.000 1.090 479 F CA -0.180 57.857 58.000 0.060 0.000 1.202 479 F CB 0.679 39.762 39.000 0.137 0.000 1.113 479 F HN -0.051 nan 8.300 nan 0.000 0.541 480 Q N 1.849 121.675 119.800 0.045 0.000 2.683 480 Q HA 0.396 4.729 4.340 -0.011 0.000 0.302 480 Q C -1.280 174.675 176.000 -0.074 0.000 1.042 480 Q CA -1.324 54.461 55.803 -0.030 0.000 0.773 480 Q CB 2.976 31.644 28.738 -0.117 0.000 1.508 480 Q HN 0.651 nan 8.270 nan 0.000 0.459 481 N N 0.313 118.949 118.700 -0.107 0.000 2.229 481 N HA 0.302 5.035 4.740 -0.011 0.000 0.298 481 N C -1.587 173.819 175.510 -0.173 0.000 1.114 481 N CA -0.429 52.556 53.050 -0.109 0.000 0.776 481 N CB 1.365 39.813 38.487 -0.065 0.000 1.501 481 N HN 0.305 nan 8.380 nan 0.000 0.474 482 K N 2.542 122.845 120.400 -0.161 0.000 2.764 482 K HA 0.177 4.490 4.320 -0.011 0.000 0.239 482 K C -1.056 175.550 176.600 0.010 0.000 1.048 482 K CA -0.462 55.703 56.287 -0.203 0.000 1.057 482 K CB 1.194 33.336 32.500 -0.597 0.000 1.251 482 K HN 0.566 nan 8.250 nan 0.000 0.524 483 T N 2.005 116.583 114.554 0.040 0.000 2.908 483 T HA 0.048 4.391 4.350 -0.011 0.000 0.301 483 T C 0.843 175.670 174.700 0.211 0.000 1.019 483 T CA 0.410 62.585 62.100 0.125 0.000 1.152 483 T CB 0.324 69.266 68.868 0.122 0.000 0.966 483 T HN 0.350 nan 8.240 nan 0.000 0.540 484 N N 0.479 119.327 118.700 0.247 0.000 2.260 484 N HA 0.427 5.160 4.740 -0.011 0.000 0.230 484 N C 0.470 176.170 175.510 0.316 0.000 1.323 484 N CA -0.171 53.060 53.050 0.302 0.000 0.897 484 N CB 0.375 38.983 38.487 0.201 0.000 1.146 484 N HN 0.769 nan 8.380 nan 0.000 0.460 485 G N -0.778 108.215 108.800 0.322 0.000 2.608 485 G HA2 0.564 4.518 3.960 -0.011 0.000 0.291 485 G HA3 0.564 4.518 3.960 -0.011 0.000 0.291 485 G C -1.467 173.573 174.900 0.234 0.000 1.425 485 G CA -0.746 44.530 45.100 0.293 0.000 0.787 485 G HN 0.595 nan 8.290 nan 0.000 0.484 486 I N -2.320 118.371 120.570 0.202 0.000 2.892 486 I HA 0.783 4.947 4.170 -0.011 0.000 0.306 486 I C -0.227 176.054 176.117 0.272 0.000 1.078 486 I CA -0.979 60.434 61.300 0.188 0.000 1.032 486 I CB 2.437 40.434 38.000 -0.004 0.000 1.229 486 I HN 0.508 nan 8.210 nan 0.000 0.435 487 T N 3.634 118.409 114.554 0.368 0.000 2.794 487 T HA 0.381 4.724 4.350 -0.011 0.000 0.296 487 T C -1.486 173.341 174.700 0.211 0.000 0.949 487 T CA -1.709 60.529 62.100 0.230 0.000 1.101 487 T CB 0.868 69.819 68.868 0.138 0.000 0.905 487 T HN 0.623 nan 8.240 nan 0.000 0.516 488 P HA 0.047 nan 4.420 nan 0.000 0.233 488 P C 1.121 178.396 177.300 -0.041 0.000 1.167 488 P CA 0.369 63.513 63.100 0.073 0.000 0.770 488 P CB 0.346 32.076 31.700 0.050 0.000 0.837 489 R N 0.360 120.784 120.500 -0.126 0.000 2.056 489 R HA 0.010 4.344 4.340 -0.011 0.000 0.227 489 R C 2.692 178.871 176.300 -0.200 0.000 1.149 489 R CA 1.546 57.523 56.100 -0.205 0.000 0.937 489 R CB -1.152 29.025 30.300 -0.204 0.000 0.835 489 R HN 0.048 nan 8.270 nan 0.000 0.430 490 R N -0.792 119.532 120.500 -0.293 0.000 2.075 490 R HA -0.107 4.226 4.340 -0.011 0.000 0.232 490 R C 1.129 177.075 176.300 -0.590 0.000 1.126 490 R CA 1.528 57.305 56.100 -0.540 0.000 0.963 490 R CB -0.183 29.607 30.300 -0.849 0.000 0.858 490 R HN 0.292 nan 8.270 nan 0.000 0.435 491 W N 0.012 121.270 121.300 -0.069 0.000 3.377 491 W HA 0.119 4.772 4.660 -0.012 0.000 0.277 491 W C 0.993 177.483 176.519 -0.048 0.000 1.311 491 W CA -0.640 56.663 57.345 -0.069 0.000 1.703 491 W CB 0.363 29.788 29.460 -0.059 0.000 1.095 491 W HN 0.242 nan 8.180 nan 0.000 0.715 492 L N -2.381 118.894 121.223 0.088 0.000 2.604 492 L HA 0.162 4.496 4.340 -0.011 0.000 0.150 492 L C 1.763 178.649 176.870 0.028 0.000 1.292 492 L CA 0.731 55.621 54.840 0.083 0.000 0.977 492 L CB -0.852 41.284 42.059 0.128 0.000 1.943 492 L HN -0.260 nan 8.230 nan 0.000 0.508 493 V N 1.174 121.082 119.914 -0.010 0.000 2.332 493 V HA -0.265 3.849 4.120 -0.011 0.000 0.248 493 V C 2.437 178.502 176.094 -0.048 0.000 1.055 493 V CA 2.453 64.736 62.300 -0.029 0.000 1.038 493 V CB -0.707 31.066 31.823 -0.083 0.000 0.651 493 V HN 0.503 nan 8.190 nan 0.000 0.450 494 L N 0.513 121.678 121.223 -0.097 0.000 2.007 494 L HA -0.183 4.151 4.340 -0.011 0.000 0.205 494 L C 2.535 179.341 176.870 -0.106 0.000 1.073 494 L CA 2.402 57.169 54.840 -0.121 0.000 0.744 494 L CB -0.305 41.630 42.059 -0.205 0.000 0.898 494 L HN 0.643 nan 8.230 nan 0.000 0.435 495 C N -1.704 117.525 119.300 -0.118 0.000 2.514 495 C HA 0.174 4.628 4.460 -0.011 0.000 0.271 495 C C 1.200 176.173 174.990 -0.029 0.000 1.399 495 C CA -0.264 58.706 59.018 -0.081 0.000 1.765 495 C CB -1.095 26.596 27.740 -0.082 0.000 1.893 495 C HN 0.590 nan 8.230 nan 0.000 0.531 496 N N 1.116 119.810 118.700 -0.009 0.000 2.703 496 N HA 0.283 5.016 4.740 -0.011 0.000 0.283 496 N C -1.793 173.729 175.510 0.018 0.000 1.851 496 N CA -1.556 51.500 53.050 0.010 0.000 0.826 496 N CB 0.784 39.286 38.487 0.025 0.000 1.239 496 N HN 0.248 nan 8.380 nan 0.000 0.495 497 P HA -0.032 nan 4.420 nan 0.000 0.218 497 P C 1.388 178.703 177.300 0.026 0.000 1.149 497 P CA 0.868 63.979 63.100 0.018 0.000 0.817 497 P CB 0.275 31.979 31.700 0.007 0.000 0.785 498 G N 0.790 109.599 108.800 0.016 0.000 2.421 498 G HA2 -0.248 3.706 3.960 -0.011 0.000 0.216 498 G HA3 -0.248 3.706 3.960 -0.011 0.000 0.216 498 G C 1.519 176.425 174.900 0.010 0.000 1.171 498 G CA 0.747 45.853 45.100 0.010 0.000 0.775 498 G HN 0.264 nan 8.290 nan 0.000 0.543 499 L N 1.306 122.536 121.223 0.011 0.000 2.093 499 L HA 0.242 4.575 4.340 -0.011 0.000 0.208 499 L C 3.008 179.902 176.870 0.041 0.000 1.085 499 L CA 2.051 56.895 54.840 0.005 0.000 0.755 499 L CB -0.688 41.376 42.059 0.008 0.000 0.904 499 L HN 0.224 nan 8.230 nan 0.000 0.435 500 A N -0.737 122.130 122.820 0.079 0.000 1.933 500 A HA -0.234 4.079 4.320 -0.011 0.000 0.218 500 A C 2.233 179.912 177.584 0.158 0.000 1.175 500 A CA 1.690 53.825 52.037 0.164 0.000 0.628 500 A CB -0.652 18.443 19.000 0.158 0.000 0.814 500 A HN 0.552 nan 8.150 nan 0.000 0.444 501 E N 0.792 121.046 120.200 0.091 0.000 2.047 501 E HA -0.168 4.176 4.350 -0.011 0.000 0.191 501 E C 1.826 178.467 176.600 0.069 0.000 0.987 501 E CA 1.652 58.097 56.400 0.074 0.000 0.799 501 E CB -0.533 29.192 29.700 0.042 0.000 0.752 501 E HN 0.744 nan 8.360 nan 0.000 0.449 502 I N -1.854 118.747 120.570 0.053 0.000 2.493 502 I HA -0.103 4.061 4.170 -0.011 0.000 0.254 502 I C 2.118 178.315 176.117 0.133 0.000 1.160 502 I CA 1.016 62.358 61.300 0.070 0.000 1.445 502 I CB -0.281 37.727 38.000 0.013 0.000 1.086 502 I HN 0.025 nan 8.210 nan 0.000 0.433 503 I N 1.896 122.521 120.570 0.091 0.000 2.233 503 I HA -0.161 4.003 4.170 -0.011 0.000 0.243 503 I C 2.997 179.093 176.117 -0.037 0.000 1.093 503 I CA 1.285 62.586 61.300 0.002 0.000 1.380 503 I CB -0.446 37.431 38.000 -0.205 0.000 1.067 503 I HN 0.292 nan 8.210 nan 0.000 0.413 504 A N 0.234 123.117 122.820 0.106 0.000 1.972 504 A HA -0.239 4.075 4.320 -0.011 0.000 0.219 504 A C 2.169 179.794 177.584 0.067 0.000 1.169 504 A CA 1.621 53.766 52.037 0.180 0.000 0.635 504 A CB -0.612 18.525 19.000 0.228 0.000 0.810 504 A HN 0.426 nan 8.150 nan 0.000 0.446 505 E N -0.758 119.464 120.200 0.036 0.000 2.160 505 E HA -0.204 4.139 4.350 -0.011 0.000 0.195 505 E C 2.230 178.803 176.600 -0.044 0.000 0.991 505 E CA 1.222 57.627 56.400 0.008 0.000 0.810 505 E CB 0.010 29.721 29.700 0.018 0.000 0.742 505 E HN 0.541 nan 8.360 nan 0.000 0.466 506 R N -0.237 120.185 120.500 -0.131 0.000 2.103 506 R HA 0.096 4.429 4.340 -0.011 0.000 0.212 506 R C 2.316 178.525 176.300 -0.153 0.000 1.107 506 R CA 0.805 56.745 56.100 -0.267 0.000 1.025 506 R CB -0.171 29.656 30.300 -0.787 0.000 0.929 506 R HN 0.278 nan 8.270 nan 0.000 0.456 507 I N -2.361 118.138 120.570 -0.118 0.000 4.018 507 I HA 0.434 4.598 4.170 -0.011 0.000 0.337 507 I C 0.478 176.637 176.117 0.069 0.000 1.327 507 I CA 0.089 61.379 61.300 -0.016 0.000 1.100 507 I CB 0.795 38.772 38.000 -0.039 0.000 1.025 507 I HN 0.194 nan 8.210 nan 0.000 0.396 508 G N 1.893 110.747 108.800 0.090 0.000 2.610 508 G HA2 -0.193 3.761 3.960 -0.011 0.000 0.304 508 G HA3 -0.193 3.761 3.960 -0.011 0.000 0.304 508 G C -0.114 174.916 174.900 0.216 0.000 1.309 508 G CA 0.082 45.255 45.100 0.121 0.000 0.906 508 G HN 0.386 nan 8.290 nan 0.000 0.521 509 E N -0.543 119.728 120.200 0.119 0.000 2.460 509 E HA 0.089 4.432 4.350 -0.011 0.000 0.200 509 E C 1.862 178.397 176.600 -0.109 0.000 1.011 509 E CA -0.031 56.369 56.400 0.001 0.000 0.912 509 E CB 0.250 29.946 29.700 -0.006 0.000 0.953 509 E HN 0.456 nan 8.360 nan 0.000 0.494 510 E N 0.583 120.796 120.200 0.022 0.000 2.273 510 E HA -0.204 4.139 4.350 -0.011 0.000 0.198 510 E C 1.689 178.288 176.600 -0.001 0.000 1.002 510 E CA 0.982 57.392 56.400 0.018 0.000 0.828 510 E CB -0.043 29.692 29.700 0.057 0.000 0.747 510 E HN 0.530 nan 8.360 nan 0.000 0.491 511 Y N -1.179 119.130 120.300 0.015 0.000 2.352 511 Y HA -0.038 4.506 4.550 -0.009 0.000 0.292 511 Y C 1.995 177.880 175.900 -0.026 0.000 1.136 511 Y CA 0.585 58.686 58.100 0.001 0.000 1.227 511 Y CB -0.763 37.701 38.460 0.005 0.000 0.991 511 Y HN -0.095 nan 8.280 nan 0.000 0.545 512 I N 1.050 121.154 120.570 -0.776 0.000 2.423 512 I HA -0.253 3.911 4.170 -0.011 0.000 0.254 512 I C 1.495 177.387 176.117 -0.374 0.000 1.151 512 I CA 1.852 62.763 61.300 -0.649 0.000 1.421 512 I CB -0.385 37.138 38.000 -0.795 0.000 1.079 512 I HN 0.480 nan 8.210 nan 0.000 0.431 513 S N -2.122 113.461 115.700 -0.195 0.000 2.749 513 S HA 0.209 4.672 4.470 -0.011 0.000 0.246 513 S C 0.104 174.697 174.600 -0.011 0.000 1.023 513 S CA -0.513 57.641 58.200 -0.076 0.000 1.012 513 S CB 0.386 63.610 63.200 0.039 0.000 0.942 513 S HN 0.278 nan 8.310 nan 0.000 0.531 514 D N 0.685 121.088 120.400 0.004 0.000 3.118 514 D HA 0.223 4.856 4.640 -0.011 0.000 0.259 514 D C 0.444 176.794 176.300 0.083 0.000 1.292 514 D CA -0.346 53.678 54.000 0.040 0.000 0.784 514 D CB 0.220 41.047 40.800 0.044 0.000 1.413 514 D HN 0.084 nan 8.370 nan 0.000 0.583 515 L N 0.963 122.236 121.223 0.084 0.000 2.263 515 L HA -0.085 4.249 4.340 -0.011 0.000 0.216 515 L C 1.509 178.432 176.870 0.089 0.000 1.111 515 L CA 1.623 56.539 54.840 0.127 0.000 0.773 515 L CB -0.106 42.018 42.059 0.108 0.000 0.906 515 L HN 0.280 nan 8.230 nan 0.000 0.439 516 D N -0.855 119.574 120.400 0.049 0.000 2.221 516 D HA -0.211 4.423 4.640 -0.011 0.000 0.204 516 D C 1.960 178.281 176.300 0.035 0.000 0.982 516 D CA 0.841 54.855 54.000 0.023 0.000 0.857 516 D CB 0.014 40.816 40.800 0.003 0.000 0.934 516 D HN 0.546 nan 8.370 nan 0.000 0.475 517 Q N -0.180 119.658 119.800 0.063 0.000 2.439 517 Q HA -0.120 4.214 4.340 -0.011 0.000 0.211 517 Q C 1.800 177.820 176.000 0.033 0.000 0.978 517 Q CA 0.193 56.034 55.803 0.063 0.000 0.897 517 Q CB 0.026 28.831 28.738 0.112 0.000 0.956 517 Q HN 0.202 nan 8.270 nan 0.000 0.483 518 L N 0.725 121.960 121.223 0.021 0.000 2.265 518 L HA -0.159 4.175 4.340 -0.011 0.000 0.215 518 L C 2.075 178.941 176.870 -0.007 0.000 1.117 518 L CA 1.463 56.282 54.840 -0.036 0.000 0.782 518 L CB -0.412 41.636 42.059 -0.017 0.000 0.914 518 L HN 0.123 nan 8.230 nan 0.000 0.441 519 R N -0.508 119.998 120.500 0.010 0.000 2.127 519 R HA -0.170 4.164 4.340 -0.011 0.000 0.238 519 R C 1.959 178.267 176.300 0.012 0.000 1.134 519 R CA 1.003 57.111 56.100 0.012 0.000 0.975 519 R CB -0.216 30.088 30.300 0.007 0.000 0.865 519 R HN 0.417 nan 8.270 nan 0.000 0.447 520 K N 0.617 121.025 120.400 0.013 0.000 2.360 520 K HA -0.103 4.210 4.320 -0.011 0.000 0.201 520 K C 1.849 178.492 176.600 0.072 0.000 1.046 520 K CA 0.798 57.103 56.287 0.029 0.000 0.940 520 K CB -0.075 32.449 32.500 0.041 0.000 0.748 520 K HN 0.246 nan 8.250 nan 0.000 0.465 521 L N 0.572 121.820 121.223 0.042 0.000 2.465 521 L HA -0.121 4.213 4.340 -0.011 0.000 0.224 521 L C 1.901 178.830 176.870 0.099 0.000 1.145 521 L CA 0.037 54.911 54.840 0.057 0.000 0.834 521 L CB -0.240 41.817 42.059 -0.004 0.000 0.944 521 L HN 0.135 nan 8.230 nan 0.000 0.451 522 L N 0.202 121.455 121.223 0.049 0.000 2.127 522 L HA -0.189 4.145 4.340 -0.011 0.000 0.211 522 L C 2.624 179.479 176.870 -0.026 0.000 1.089 522 L CA 1.938 56.792 54.840 0.024 0.000 0.757 522 L CB -0.849 41.212 42.059 0.003 0.000 0.899 522 L HN 0.338 nan 8.230 nan 0.000 0.434 523 S N -2.747 112.887 115.700 -0.110 0.000 2.720 523 S HA -0.040 4.424 4.470 -0.011 0.000 0.222 523 S C 1.000 175.304 174.600 -0.494 0.000 0.958 523 S CA 0.108 58.138 58.200 -0.284 0.000 0.943 523 S CB -0.543 62.438 63.200 -0.365 0.000 0.779 523 S HN 0.456 nan 8.310 nan 0.000 0.526 524 Y N -0.807 119.415 120.300 -0.131 0.000 2.588 524 Y HA 0.405 4.953 4.550 -0.003 0.000 0.247 524 Y C 1.844 177.764 175.900 0.033 0.000 1.157 524 Y CA -0.612 57.399 58.100 -0.149 0.000 1.215 524 Y CB 0.249 38.383 38.460 -0.543 0.000 1.245 524 Y HN 0.276 nan 8.280 nan 0.000 0.534 525 V N 0.487 120.482 119.914 0.135 0.000 2.688 525 V HA -0.221 3.893 4.120 -0.011 0.000 0.256 525 V C 0.879 177.041 176.094 0.113 0.000 1.084 525 V CA 2.340 64.726 62.300 0.144 0.000 1.103 525 V CB -0.005 31.864 31.823 0.076 0.000 0.688 525 V HN 0.338 nan 8.190 nan 0.000 0.480 526 D N -0.885 119.560 120.400 0.075 0.000 2.433 526 D HA 0.124 4.757 4.640 -0.011 0.000 0.211 526 D C 0.407 176.753 176.300 0.076 0.000 1.114 526 D CA -0.045 53.989 54.000 0.057 0.000 0.837 526 D CB 0.085 40.895 40.800 0.016 0.000 0.984 526 D HN 0.455 nan 8.370 nan 0.000 0.505 527 D N 1.613 122.092 120.400 0.131 0.000 2.358 527 D HA -0.044 4.590 4.640 -0.011 0.000 0.258 527 D C 1.168 177.569 176.300 0.169 0.000 1.223 527 D CA 0.046 54.145 54.000 0.166 0.000 0.886 527 D CB 1.543 42.515 40.800 0.287 0.000 1.120 527 D HN -0.222 nan 8.370 nan 0.000 0.482 528 E N 3.345 123.612 120.200 0.112 0.000 2.153 528 E HA -0.130 4.214 4.350 -0.011 0.000 0.194 528 E C 1.633 178.289 176.600 0.094 0.000 0.988 528 E CA 1.166 57.617 56.400 0.086 0.000 0.811 528 E CB -0.112 29.622 29.700 0.056 0.000 0.746 528 E HN 0.608 nan 8.360 nan 0.000 0.466 529 A N -0.334 122.559 122.820 0.121 0.000 1.854 529 A HA -0.112 4.202 4.320 -0.011 0.000 0.214 529 A C 2.278 179.952 177.584 0.150 0.000 1.192 529 A CA 1.187 53.293 52.037 0.116 0.000 0.611 529 A CB -1.027 18.045 19.000 0.120 0.000 0.832 529 A HN 0.380 nan 8.150 nan 0.000 0.442 530 F N 0.483 120.455 119.950 0.037 0.000 2.095 530 F HA -0.204 4.317 4.527 -0.009 0.000 0.298 530 F C 2.095 177.906 175.800 0.019 0.000 1.104 530 F CA 1.791 59.799 58.000 0.014 0.000 1.232 530 F CB -0.143 38.883 39.000 0.042 0.000 0.987 530 F HN 0.169 nan 8.300 nan 0.000 0.475 531 I N 0.051 120.677 120.570 0.094 0.000 2.194 531 I HA -0.364 3.800 4.170 -0.011 0.000 0.246 531 I C 2.543 178.622 176.117 -0.063 0.000 1.093 531 I CA 1.664 62.962 61.300 -0.004 0.000 1.355 531 I CB -0.459 37.577 38.000 0.061 0.000 1.046 531 I HN 0.109 nan 8.210 nan 0.000 0.413 532 R N 0.652 121.133 120.500 -0.031 0.000 2.090 532 R HA -0.160 4.174 4.340 -0.011 0.000 0.228 532 R C 1.833 178.086 176.300 -0.078 0.000 1.110 532 R CA 1.544 57.620 56.100 -0.040 0.000 0.973 532 R CB -0.039 30.255 30.300 -0.010 0.000 0.869 532 R HN 0.273 nan 8.270 nan 0.000 0.440 533 D N -0.383 119.947 120.400 -0.117 0.000 2.091 533 D HA -0.116 4.517 4.640 -0.011 0.000 0.199 533 D C 1.916 178.086 176.300 -0.217 0.000 0.980 533 D CA 1.258 55.169 54.000 -0.148 0.000 0.831 533 D CB -0.239 40.473 40.800 -0.147 0.000 0.987 533 D HN 0.030 nan 8.370 nan 0.000 0.460 534 V N 1.506 121.194 119.914 -0.377 0.000 2.324 534 V HA -0.276 3.837 4.120 -0.011 0.000 0.250 534 V C 2.494 178.495 176.094 -0.155 0.000 1.060 534 V CA 1.990 64.086 62.300 -0.339 0.000 1.042 534 V CB -0.858 30.700 31.823 -0.442 0.000 0.650 534 V HN 0.199 nan 8.190 nan 0.000 0.450 535 A N -0.845 121.906 122.820 -0.116 0.000 1.969 535 A HA -0.227 4.087 4.320 -0.011 0.000 0.218 535 A C 2.365 179.914 177.584 -0.059 0.000 1.169 535 A CA 1.965 53.967 52.037 -0.057 0.000 0.635 535 A CB -0.436 18.536 19.000 -0.047 0.000 0.810 535 A HN 0.507 nan 8.150 nan 0.000 0.445 536 K N 0.086 120.444 120.400 -0.069 0.000 2.025 536 K HA -0.119 4.195 4.320 -0.011 0.000 0.207 536 K C 2.022 178.595 176.600 -0.044 0.000 1.049 536 K CA 1.796 58.051 56.287 -0.053 0.000 0.933 536 K CB -0.373 32.097 32.500 -0.049 0.000 0.714 536 K HN 0.448 nan 8.250 nan 0.000 0.438 537 V N -0.189 119.694 119.914 -0.053 0.000 2.490 537 V HA -0.187 3.926 4.120 -0.011 0.000 0.250 537 V C 2.183 178.265 176.094 -0.021 0.000 1.061 537 V CA 1.980 64.260 62.300 -0.034 0.000 1.064 537 V CB -0.577 31.221 31.823 -0.041 0.000 0.670 537 V HN 0.177 nan 8.190 nan 0.000 0.461 538 K N 0.677 121.062 120.400 -0.025 0.000 2.057 538 K HA -0.169 4.145 4.320 -0.011 0.000 0.206 538 K C 2.280 178.860 176.600 -0.034 0.000 1.050 538 K CA 2.024 58.304 56.287 -0.011 0.000 0.935 538 K CB -0.633 31.874 32.500 0.011 0.000 0.715 538 K HN 0.532 nan 8.250 nan 0.000 0.439 539 Q N 0.982 120.754 119.800 -0.047 0.000 2.119 539 Q HA -0.073 4.261 4.340 -0.011 0.000 0.201 539 Q C 1.592 177.574 176.000 -0.029 0.000 0.972 539 Q CA 1.786 57.552 55.803 -0.062 0.000 0.847 539 Q CB -0.023 28.680 28.738 -0.058 0.000 0.903 539 Q HN 0.509 nan 8.270 nan 0.000 0.433 540 E N -0.636 119.558 120.200 -0.010 0.000 2.072 540 E HA -0.120 4.224 4.350 -0.011 0.000 0.191 540 E C 1.673 178.298 176.600 0.042 0.000 0.985 540 E CA 0.880 57.288 56.400 0.014 0.000 0.801 540 E CB 0.022 29.727 29.700 0.010 0.000 0.750 540 E HN 0.373 nan 8.360 nan 0.000 0.452 541 N N 0.925 119.649 118.700 0.039 0.000 2.120 541 N HA -0.139 4.594 4.740 -0.011 0.000 0.188 541 N C 1.453 177.048 175.510 0.141 0.000 1.024 541 N CA 1.083 54.177 53.050 0.074 0.000 0.852 541 N CB -0.063 38.452 38.487 0.047 0.000 1.003 541 N HN 0.119 nan 8.380 nan 0.000 0.424 542 K N 0.484 120.937 120.400 0.088 0.000 2.097 542 K HA 0.029 4.342 4.320 -0.011 0.000 0.205 542 K C 2.090 178.822 176.600 0.220 0.000 1.050 542 K CA 0.586 56.956 56.287 0.138 0.000 0.938 542 K CB -0.132 32.192 32.500 -0.294 0.000 0.718 542 K HN 0.102 nan 8.250 nan 0.000 0.442 543 L N 1.153 122.442 121.223 0.110 0.000 2.046 543 L HA -0.175 4.158 4.340 -0.011 0.000 0.208 543 L C 2.618 179.577 176.870 0.148 0.000 1.077 543 L CA 1.176 56.083 54.840 0.112 0.000 0.747 543 L CB -0.265 41.831 42.059 0.062 0.000 0.896 543 L HN 0.111 nan 8.230 nan 0.000 0.432 544 K N -0.363 120.131 120.400 0.158 0.000 2.057 544 K HA -0.201 4.113 4.320 -0.011 0.000 0.207 544 K C 2.195 178.937 176.600 0.238 0.000 1.049 544 K CA 1.562 57.949 56.287 0.168 0.000 0.931 544 K CB -0.250 32.337 32.500 0.144 0.000 0.714 544 K HN 0.110 nan 8.250 nan 0.000 0.440 545 F N 1.495 121.533 119.950 0.148 0.000 2.146 545 F HA -0.127 4.394 4.527 -0.011 0.000 0.298 545 F C 2.114 178.047 175.800 0.222 0.000 1.096 545 F CA 1.306 59.407 58.000 0.168 0.000 1.275 545 F CB -0.525 38.571 39.000 0.159 0.000 1.008 545 F HN 0.033 nan 8.300 nan 0.000 0.480 546 A N 0.173 123.122 122.820 0.215 0.000 1.978 546 A HA -0.096 4.218 4.320 -0.011 0.000 0.220 546 A C 2.395 179.983 177.584 0.008 0.000 1.170 546 A CA 1.888 53.975 52.037 0.085 0.000 0.636 546 A CB -1.472 17.641 19.000 0.188 0.000 0.810 546 A HN 0.479 nan 8.150 nan 0.000 0.448 547 A N -1.464 121.394 122.820 0.063 0.000 1.897 547 A HA -0.024 4.290 4.320 -0.011 0.000 0.215 547 A C 2.117 179.717 177.584 0.026 0.000 1.181 547 A CA 1.468 53.537 52.037 0.053 0.000 0.620 547 A CB -0.837 18.210 19.000 0.079 0.000 0.821 547 A HN 0.780 nan 8.150 nan 0.000 0.443 548 Y N 0.124 120.368 120.300 -0.094 0.000 2.207 548 Y HA -0.195 4.349 4.550 -0.010 0.000 0.287 548 Y C 1.826 177.641 175.900 -0.141 0.000 1.156 548 Y CA 1.630 59.664 58.100 -0.111 0.000 1.182 548 Y CB -0.286 38.110 38.460 -0.106 0.000 0.979 548 Y HN 0.186 nan 8.280 nan 0.000 0.521 549 L N 0.844 121.981 121.223 -0.144 0.000 2.083 549 L HA -0.185 4.148 4.340 -0.011 0.000 0.209 549 L C 2.329 179.147 176.870 -0.086 0.000 1.083 549 L CA 1.905 56.656 54.840 -0.148 0.000 0.752 549 L CB -0.968 40.947 42.059 -0.240 0.000 0.899 549 L HN 0.348 nan 8.230 nan 0.000 0.433 550 E N -1.577 118.575 120.200 -0.079 0.000 2.170 550 E HA -0.113 4.231 4.350 -0.011 0.000 0.191 550 E C 2.296 178.845 176.600 -0.086 0.000 0.981 550 E CA 0.217 56.597 56.400 -0.033 0.000 0.830 550 E CB 0.154 29.871 29.700 0.028 0.000 0.775 550 E HN 0.356 nan 8.360 nan 0.000 0.470 551 R N 0.608 121.019 120.500 -0.148 0.000 2.070 551 R HA -0.130 4.203 4.340 -0.011 0.000 0.232 551 R C 1.706 177.833 176.300 -0.288 0.000 1.138 551 R CA 1.423 57.413 56.100 -0.183 0.000 0.936 551 R CB 0.040 30.235 30.300 -0.176 0.000 0.839 551 R HN -0.032 nan 8.270 nan 0.000 0.429 552 E N -1.799 118.091 120.200 -0.516 0.000 2.452 552 E HA -0.004 4.339 4.350 -0.011 0.000 0.197 552 E C 0.172 176.235 176.600 -0.894 0.000 1.022 552 E CA 0.499 56.457 56.400 -0.738 0.000 0.890 552 E CB 0.578 29.642 29.700 -1.060 0.000 0.918 552 E HN 0.346 nan 8.360 nan 0.000 0.496 553 Y N -0.059 120.107 120.300 -0.224 0.000 2.540 553 Y HA 0.259 4.803 4.550 -0.011 0.000 0.257 553 Y C -0.479 175.378 175.900 -0.072 0.000 1.090 553 Y CA -0.653 57.375 58.100 -0.120 0.000 1.242 553 Y CB 0.679 39.073 38.460 -0.110 0.000 1.325 553 Y HN -0.314 nan 8.280 nan 0.000 0.544 554 K N 1.141 121.558 120.400 0.027 0.000 5.530 554 K HA -0.141 4.173 4.320 -0.011 0.000 0.493 554 K C 0.405 177.044 176.600 0.065 0.000 1.192 554 K CA 0.998 57.305 56.287 0.032 0.000 1.270 554 K CB -1.182 31.328 32.500 0.017 0.000 1.888 554 K HN 0.439 nan 8.250 nan 0.000 0.326 555 V N -1.951 118.004 119.914 0.069 0.000 3.339 555 V HA 0.134 4.247 4.120 -0.011 0.000 0.201 555 V C 0.076 176.247 176.094 0.129 0.000 1.489 555 V CA 1.071 63.417 62.300 0.076 0.000 1.228 555 V CB -0.037 31.808 31.823 0.036 0.000 1.152 555 V HN 1.013 nan 8.190 nan 0.000 0.519 556 H N 1.198 120.268 119.070 -0.001 0.000 4.445 556 H HA 0.001 4.550 4.556 -0.011 0.000 0.289 556 H C -0.875 174.455 175.328 0.003 0.000 0.656 556 H CA 0.422 56.473 56.048 0.006 0.000 0.800 556 H CB -0.739 29.031 29.762 0.013 0.000 1.122 556 H HN 1.173 nan 8.280 nan 0.000 0.319 557 I N 1.117 121.315 120.570 -0.620 0.000 2.894 557 I HA 0.452 4.616 4.170 -0.011 0.000 0.302 557 I C -0.528 175.377 176.117 -0.353 0.000 1.188 557 I CA -1.266 59.833 61.300 -0.335 0.000 1.014 557 I CB 2.129 40.025 38.000 -0.173 0.000 1.242 557 I HN 0.632 nan 8.210 nan 0.000 0.430 558 N N 4.796 123.441 118.700 -0.090 0.000 2.406 558 N HA 0.421 5.155 4.740 -0.011 0.000 0.251 558 N C -2.024 173.563 175.510 0.127 0.000 1.069 558 N CA -2.410 50.648 53.050 0.013 0.000 0.947 558 N CB 1.020 39.537 38.487 0.050 0.000 1.111 558 N HN 0.388 nan 8.380 nan 0.000 0.497 559 P HA 0.032 nan 4.420 nan 0.000 0.239 559 P C -0.088 177.156 177.300 -0.093 0.000 1.184 559 P CA 0.951 64.080 63.100 0.049 0.000 0.760 559 P CB 0.163 31.889 31.700 0.043 0.000 0.884 560 N N -1.143 117.547 118.700 -0.018 0.000 2.373 560 N HA -0.004 4.730 4.740 -0.011 0.000 0.181 560 N C 0.615 176.126 175.510 0.001 0.000 1.082 560 N CA -0.077 52.959 53.050 -0.023 0.000 0.885 560 N CB 0.077 38.572 38.487 0.013 0.000 0.977 560 N HN 0.139 nan 8.380 nan 0.000 0.462 561 S N 0.254 115.962 115.700 0.013 0.000 2.634 561 S HA 0.177 4.641 4.470 -0.011 0.000 0.261 561 S C 0.037 174.575 174.600 -0.104 0.000 1.271 561 S CA -0.847 57.355 58.200 0.005 0.000 0.985 561 S CB 0.904 64.140 63.200 0.060 0.000 0.968 561 S HN 0.172 nan 8.310 nan 0.000 0.568 562 L N 1.480 122.523 121.223 -0.300 0.000 2.319 562 L HA 0.410 4.743 4.340 -0.011 0.000 0.280 562 L C -0.934 175.900 176.870 -0.060 0.000 1.099 562 L CA -0.637 53.834 54.840 -0.615 0.000 0.828 562 L CB -0.047 41.374 42.059 -1.062 0.000 1.150 562 L HN 0.714 nan 8.230 nan 0.000 0.442 563 F N 4.171 123.975 119.950 -0.244 0.000 2.423 563 F HA 0.106 4.627 4.527 -0.010 0.000 0.356 563 F C 0.390 176.109 175.800 -0.135 0.000 1.170 563 F CA -0.832 57.092 58.000 -0.127 0.000 1.163 563 F CB 0.561 39.532 39.000 -0.048 0.000 1.318 563 F HN 0.522 nan 8.300 nan 0.000 0.569 564 D N 4.772 125.167 120.400 -0.008 0.000 2.396 564 D HA 0.229 4.862 4.640 -0.011 0.000 0.225 564 D C -1.009 175.224 176.300 -0.112 0.000 1.121 564 D CA 0.025 53.974 54.000 -0.085 0.000 0.853 564 D CB 1.365 42.102 40.800 -0.105 0.000 1.043 564 D HN 0.263 nan 8.370 nan 0.000 0.500 565 V N 3.101 122.931 119.914 -0.141 0.000 2.656 565 V HA 0.566 4.680 4.120 -0.011 0.000 0.307 565 V C -1.455 174.490 176.094 -0.249 0.000 1.051 565 V CA -0.674 61.527 62.300 -0.165 0.000 0.893 565 V CB 1.936 33.712 31.823 -0.079 0.000 0.999 565 V HN 0.528 nan 8.190 nan 0.000 0.426 566 Q N 4.602 124.271 119.800 -0.219 0.000 2.397 566 Q HA 0.657 4.990 4.340 -0.011 0.000 0.260 566 Q C -1.555 174.283 176.000 -0.270 0.000 1.002 566 Q CA -0.626 55.036 55.803 -0.235 0.000 0.716 566 Q CB 1.866 30.492 28.738 -0.188 0.000 1.258 566 Q HN 1.133 nan 8.270 nan 0.000 0.477 567 V N 2.028 121.767 119.914 -0.291 0.000 2.487 567 V HA 0.861 4.975 4.120 -0.011 0.000 0.298 567 V C -0.820 174.980 176.094 -0.490 0.000 1.028 567 V CA -0.554 61.383 62.300 -0.605 0.000 0.860 567 V CB 1.311 32.525 31.823 -1.014 0.000 0.991 567 V HN 0.808 nan 8.190 nan 0.000 0.427 568 K N 2.607 122.771 120.400 -0.394 0.000 3.138 568 K HA 0.379 4.693 4.320 -0.011 0.000 0.309 568 K C -1.331 175.269 176.600 -0.000 0.000 1.090 568 K CA -1.047 55.197 56.287 -0.072 0.000 0.816 568 K CB 0.901 33.363 32.500 -0.064 0.000 1.476 568 K HN 0.491 nan 8.250 nan 0.000 0.380 569 R N 0.864 121.424 120.500 0.101 0.000 2.623 569 R HA 0.190 4.524 4.340 -0.011 0.000 0.271 569 R C 0.402 176.730 176.300 0.047 0.000 1.043 569 R CA -0.372 55.801 56.100 0.121 0.000 1.083 569 R CB -0.161 30.260 30.300 0.202 0.000 0.974 569 R HN 0.452 nan 8.270 nan 0.000 0.436 570 I N 4.375 124.952 120.570 0.011 0.000 2.517 570 I HA 0.075 4.239 4.170 -0.011 0.000 0.285 570 I C 0.701 176.722 176.117 -0.160 0.000 1.106 570 I CA 0.676 61.927 61.300 -0.082 0.000 1.402 570 I CB -0.324 37.614 38.000 -0.103 0.000 1.399 570 I HN 0.272 nan 8.210 nan 0.000 0.535 571 H N 4.555 123.519 119.070 -0.176 0.000 3.038 571 H HA 0.210 4.759 4.556 -0.011 0.000 0.362 571 H C 0.491 175.695 175.328 -0.207 0.000 1.167 571 H CA -0.428 55.555 56.048 -0.109 0.000 1.197 571 H CB 2.008 31.641 29.762 -0.215 0.000 1.840 571 H HN 0.549 nan 8.280 nan 0.000 0.540 572 E N 1.738 122.013 120.200 0.125 0.000 2.110 572 E HA -0.224 4.119 4.350 -0.011 0.000 0.193 572 E C 1.378 177.723 176.600 -0.424 0.000 0.988 572 E CA 1.601 58.006 56.400 0.007 0.000 0.804 572 E CB 0.013 29.928 29.700 0.359 0.000 0.745 572 E HN 0.564 nan 8.360 nan 0.000 0.458 573 Y N 0.845 120.612 120.300 -0.889 0.000 2.421 573 Y HA -0.038 4.505 4.550 -0.011 0.000 0.292 573 Y C 1.463 177.060 175.900 -0.505 0.000 1.136 573 Y CA 0.767 58.117 58.100 -1.250 0.000 1.255 573 Y CB 0.003 37.799 38.460 -1.107 0.000 0.991 573 Y HN -0.195 nan 8.280 nan 0.000 0.552 574 K N 1.240 121.159 120.400 -0.801 0.000 2.418 574 K HA 0.059 4.373 4.320 -0.011 0.000 0.195 574 K C 0.051 176.467 176.600 -0.306 0.000 1.035 574 K CA 0.571 56.516 56.287 -0.571 0.000 1.003 574 K CB -0.129 32.044 32.500 -0.545 0.000 0.793 574 K HN 0.461 nan 8.250 nan 0.000 0.494 575 R N 1.145 121.491 120.500 -0.257 0.000 3.146 575 R HA -0.199 4.134 4.340 -0.011 0.000 0.250 575 R C 0.271 176.488 176.300 -0.138 0.000 0.912 575 R CA 0.210 56.217 56.100 -0.154 0.000 0.633 575 R CB -1.996 28.233 30.300 -0.120 0.000 1.180 575 R HN 0.237 nan 8.270 nan 0.000 0.464 576 Q N 0.575 120.295 119.800 -0.134 0.000 2.291 576 Q HA 0.024 4.358 4.340 -0.011 0.000 0.206 576 Q C 2.037 177.987 176.000 -0.083 0.000 0.976 576 Q CA 1.215 56.952 55.803 -0.109 0.000 0.875 576 Q CB 0.090 28.768 28.738 -0.100 0.000 0.927 576 Q HN 0.614 nan 8.270 nan 0.000 0.450 577 L N -0.590 120.587 121.223 -0.076 0.000 2.083 577 L HA -0.178 4.156 4.340 -0.011 0.000 0.209 577 L C 1.953 178.824 176.870 0.002 0.000 1.083 577 L CA 0.560 55.370 54.840 -0.049 0.000 0.752 577 L CB -0.302 41.739 42.059 -0.031 0.000 0.899 577 L HN 0.318 nan 8.230 nan 0.000 0.433 578 L N -0.001 121.215 121.223 -0.013 0.000 2.046 578 L HA -0.237 4.096 4.340 -0.011 0.000 0.208 578 L C 2.007 178.927 176.870 0.083 0.000 1.077 578 L CA 1.919 56.764 54.840 0.009 0.000 0.747 578 L CB -0.803 41.156 42.059 -0.167 0.000 0.896 578 L HN 0.280 nan 8.230 nan 0.000 0.432 579 N N -1.737 116.980 118.700 0.028 0.000 2.120 579 N HA -0.231 4.503 4.740 -0.011 0.000 0.188 579 N C 1.957 177.553 175.510 0.144 0.000 1.024 579 N CA 1.578 54.722 53.050 0.156 0.000 0.852 579 N CB -0.140 38.369 38.487 0.038 0.000 1.003 579 N HN 0.489 nan 8.380 nan 0.000 0.424 580 C N 0.556 119.876 119.300 0.033 0.000 2.413 580 C HA -0.088 4.365 4.460 -0.011 0.000 0.276 580 C C 2.587 177.577 174.990 0.001 0.000 1.248 580 C CA 0.422 59.415 59.018 -0.042 0.000 1.742 580 C CB -1.266 26.397 27.740 -0.129 0.000 2.017 580 C HN 0.513 nan 8.230 nan 0.000 0.481 581 L N -0.365 120.918 121.223 0.099 0.000 2.046 581 L HA -0.205 4.128 4.340 -0.011 0.000 0.208 581 L C 2.774 179.797 176.870 0.254 0.000 1.077 581 L CA 1.848 56.792 54.840 0.175 0.000 0.747 581 L CB -1.048 41.181 42.059 0.283 0.000 0.896 581 L HN 0.594 nan 8.230 nan 0.000 0.432 582 H N -0.080 119.105 119.070 0.191 0.000 2.321 582 H HA -0.134 4.415 4.556 -0.011 0.000 0.300 582 H C 2.237 177.563 175.328 -0.003 0.000 1.087 582 H CA 1.903 57.982 56.048 0.052 0.000 1.319 582 H CB 0.297 30.021 29.762 -0.064 0.000 1.379 582 H HN 0.095 nan 8.280 nan 0.000 0.501 583 V N 1.526 121.382 119.914 -0.097 0.000 2.332 583 V HA -0.272 3.841 4.120 -0.011 0.000 0.248 583 V C 2.820 178.858 176.094 -0.094 0.000 1.055 583 V CA 1.899 64.103 62.300 -0.159 0.000 1.038 583 V CB -0.499 31.271 31.823 -0.088 0.000 0.651 583 V HN 0.387 nan 8.190 nan 0.000 0.450 584 I N -0.372 120.177 120.570 -0.035 0.000 2.315 584 I HA -0.194 3.969 4.170 -0.011 0.000 0.248 584 I C 2.484 178.663 176.117 0.104 0.000 1.117 584 I CA 1.551 62.900 61.300 0.082 0.000 1.404 584 I CB -0.601 37.428 38.000 0.049 0.000 1.071 584 I HN 0.309 nan 8.210 nan 0.000 0.419 585 T N 1.198 115.765 114.554 0.022 0.000 2.708 585 T HA -0.148 4.196 4.350 -0.011 0.000 0.266 585 T C 1.878 176.531 174.700 -0.080 0.000 1.037 585 T CA 1.231 63.332 62.100 0.002 0.000 1.146 585 T CB -0.238 68.647 68.868 0.027 0.000 0.865 585 T HN 0.073 nan 8.240 nan 0.000 0.435 586 L N 0.163 121.270 121.223 -0.193 0.000 2.012 586 L HA -0.046 4.287 4.340 -0.011 0.000 0.210 586 L C 2.117 178.946 176.870 -0.068 0.000 1.073 586 L CA 1.656 56.378 54.840 -0.196 0.000 0.748 586 L CB -1.056 40.821 42.059 -0.305 0.000 0.891 586 L HN 0.370 nan 8.230 nan 0.000 0.431 587 Y N 0.165 120.405 120.300 -0.101 0.000 2.165 587 Y HA -0.311 4.233 4.550 -0.011 0.000 0.286 587 Y C 2.427 178.312 175.900 -0.026 0.000 1.155 587 Y CA 1.879 59.960 58.100 -0.032 0.000 1.164 587 Y CB -0.098 38.391 38.460 0.048 0.000 0.978 587 Y HN 0.285 nan 8.280 nan 0.000 0.513 588 N N 0.411 119.044 118.700 -0.111 0.000 2.188 588 N HA -0.126 4.608 4.740 -0.011 0.000 0.184 588 N C 1.787 177.176 175.510 -0.200 0.000 1.018 588 N CA 1.446 54.371 53.050 -0.208 0.000 0.858 588 N CB -0.326 38.113 38.487 -0.081 0.000 0.989 588 N HN 0.442 nan 8.380 nan 0.000 0.426 589 R N 0.233 120.645 120.500 -0.146 0.000 2.115 589 R HA 0.099 4.433 4.340 -0.011 0.000 0.230 589 R C 2.133 178.347 176.300 -0.143 0.000 1.111 589 R CA 0.661 56.685 56.100 -0.126 0.000 0.976 589 R CB -0.174 30.063 30.300 -0.105 0.000 0.870 589 R HN 0.234 nan 8.270 nan 0.000 0.445 590 I N 0.871 121.335 120.570 -0.176 0.000 2.252 590 I HA -0.246 3.917 4.170 -0.011 0.000 0.245 590 I C 2.022 178.025 176.117 -0.190 0.000 1.102 590 I CA 1.158 62.359 61.300 -0.166 0.000 1.385 590 I CB -0.089 37.817 38.000 -0.157 0.000 1.064 590 I HN 0.014 nan 8.210 nan 0.000 0.414 591 K N 0.680 120.902 120.400 -0.297 0.000 2.211 591 K HA -0.189 4.124 4.320 -0.011 0.000 0.203 591 K C 2.009 178.509 176.600 -0.167 0.000 1.050 591 K CA 0.962 57.088 56.287 -0.270 0.000 0.945 591 K CB -0.228 32.025 32.500 -0.413 0.000 0.732 591 K HN 0.112 nan 8.250 nan 0.000 0.451 592 K N 1.954 122.262 120.400 -0.153 0.000 2.031 592 K HA -0.079 4.235 4.320 -0.011 0.000 0.205 592 K C 0.151 176.704 176.600 -0.079 0.000 1.049 592 K CA 1.286 57.510 56.287 -0.106 0.000 0.939 592 K CB 0.273 32.714 32.500 -0.098 0.000 0.717 592 K HN 0.108 nan 8.250 nan 0.000 0.438 593 E N 0.621 120.774 120.200 -0.078 0.000 3.037 593 E HA 0.178 4.522 4.350 -0.011 0.000 0.220 593 E C -2.315 174.252 176.600 -0.054 0.000 1.142 593 E CA -1.743 54.624 56.400 -0.054 0.000 0.888 593 E CB 1.494 31.169 29.700 -0.042 0.000 1.329 593 E HN 0.084 nan 8.360 nan 0.000 0.409 594 P HA -0.176 nan 4.420 nan 0.000 0.216 594 P C 0.321 177.606 177.300 -0.025 0.000 1.150 594 P CA 1.313 64.385 63.100 -0.046 0.000 0.843 594 P CB 0.146 31.823 31.700 -0.038 0.000 0.787 595 N N -1.186 117.508 118.700 -0.010 0.000 2.313 595 N HA 0.020 4.754 4.740 -0.011 0.000 0.207 595 N C 0.463 175.991 175.510 0.029 0.000 1.141 595 N CA -0.018 53.039 53.050 0.011 0.000 0.830 595 N CB -0.017 38.477 38.487 0.011 0.000 1.008 595 N HN 0.076 nan 8.380 nan 0.000 0.481 596 K N 1.004 121.415 120.400 0.018 0.000 2.143 596 K HA 0.167 4.480 4.320 -0.011 0.000 0.272 596 K C -0.868 175.776 176.600 0.072 0.000 1.001 596 K CA -0.576 55.738 56.287 0.044 0.000 0.915 596 K CB 0.728 33.235 32.500 0.011 0.000 1.047 596 K HN -0.041 nan 8.250 nan 0.000 0.458 597 F N 4.038 123.976 119.950 -0.021 0.000 2.418 597 F HA 0.296 4.816 4.527 -0.011 0.000 0.341 597 F C -0.482 175.304 175.800 -0.022 0.000 1.120 597 F CA -0.101 57.888 58.000 -0.019 0.000 1.232 597 F CB 0.792 39.783 39.000 -0.014 0.000 1.175 597 F HN 0.203 nan 8.300 nan 0.000 0.569 598 V N 3.371 122.679 119.914 -1.011 0.000 3.012 598 V HA 0.491 4.605 4.120 -0.011 0.000 0.307 598 V C -1.012 174.481 176.094 -1.002 0.000 1.166 598 V CA -1.245 60.630 62.300 -0.708 0.000 0.974 598 V CB 0.855 32.465 31.823 -0.355 0.000 1.040 598 V HN 0.626 nan 8.190 nan 0.000 0.428 599 V N 4.400 124.011 119.914 -0.505 0.000 2.485 599 V HA 0.216 4.329 4.120 -0.011 0.000 0.287 599 V C -1.816 174.117 176.094 -0.269 0.000 1.022 599 V CA -0.465 61.665 62.300 -0.283 0.000 1.067 599 V CB 0.366 32.144 31.823 -0.075 0.000 0.967 599 V HN 0.910 nan 8.190 nan 0.000 0.479 600 P HA 0.316 nan 4.420 nan 0.000 0.268 600 P C -0.314 176.899 177.300 -0.145 0.000 1.205 600 P CA -0.058 62.949 63.100 -0.155 0.000 0.771 600 P CB 0.582 32.233 31.700 -0.081 0.000 0.858 601 R N 0.955 121.382 120.500 -0.122 0.000 2.725 601 R HA 0.579 4.913 4.340 -0.011 0.000 0.277 601 R C -0.891 175.373 176.300 -0.060 0.000 0.987 601 R CA -0.605 55.426 56.100 -0.115 0.000 0.901 601 R CB 2.130 32.348 30.300 -0.138 0.000 1.207 601 R HN 0.303 nan 8.270 nan 0.000 0.463 602 T N 1.844 116.382 114.554 -0.027 0.000 2.912 602 T HA 0.149 4.493 4.350 -0.011 0.000 0.326 602 T C -0.733 173.894 174.700 -0.122 0.000 1.080 602 T CA -0.450 61.606 62.100 -0.073 0.000 1.000 602 T CB 0.999 69.807 68.868 -0.101 0.000 1.008 602 T HN 0.332 nan 8.240 nan 0.000 0.473 603 V N 5.797 125.642 119.914 -0.115 0.000 2.406 603 V HA 0.661 4.774 4.120 -0.011 0.000 0.272 603 V C -0.496 175.516 176.094 -0.136 0.000 1.043 603 V CA -0.521 61.711 62.300 -0.114 0.000 0.915 603 V CB 0.498 32.273 31.823 -0.079 0.000 0.988 603 V HN 0.836 nan 8.190 nan 0.000 0.466 604 M N 7.768 127.271 119.600 -0.161 0.000 2.227 604 M HA 0.602 5.076 4.480 -0.011 0.000 0.335 604 M C -0.907 175.273 176.300 -0.200 0.000 1.053 604 M CA -0.233 54.958 55.300 -0.180 0.000 0.973 604 M CB 1.965 34.451 32.600 -0.191 0.000 1.623 604 M HN 0.487 nan 8.290 nan 0.000 0.434 605 I N 1.699 122.130 120.570 -0.230 0.000 2.509 605 I HA 0.863 5.027 4.170 -0.011 0.000 0.293 605 I C 0.117 175.902 176.117 -0.552 0.000 1.020 605 I CA -0.658 60.481 61.300 -0.269 0.000 1.088 605 I CB 2.330 40.261 38.000 -0.115 0.000 1.267 605 I HN 0.819 nan 8.210 nan 0.000 0.430 606 G N 2.806 111.262 108.800 -0.573 0.000 2.718 606 G HA2 0.807 4.760 3.960 -0.011 0.000 0.295 606 G HA3 0.807 4.760 3.960 -0.011 0.000 0.295 606 G C -1.063 173.560 174.900 -0.462 0.000 1.421 606 G CA -0.700 43.934 45.100 -0.778 0.000 0.902 606 G HN 0.998 nan 8.290 nan 0.000 0.501 607 G N -0.330 108.353 108.800 -0.195 0.000 2.352 607 G HA2 0.421 4.374 3.960 -0.011 0.000 0.305 607 G HA3 0.421 4.374 3.960 -0.011 0.000 0.305 607 G C -1.337 173.692 174.900 0.215 0.000 1.537 607 G CA -1.029 44.108 45.100 0.061 0.000 0.959 607 G HN 0.603 nan 8.290 nan 0.000 0.668 608 K N -0.157 120.362 120.400 0.200 0.000 2.110 608 K HA 0.764 5.077 4.320 -0.011 0.000 0.263 608 K C 0.228 176.952 176.600 0.206 0.000 0.975 608 K CA -0.202 56.217 56.287 0.220 0.000 0.895 608 K CB 2.024 34.557 32.500 0.054 0.000 1.060 608 K HN 0.878 nan 8.250 nan 0.000 0.448 609 A N 1.461 124.435 122.820 0.256 0.000 2.317 609 A HA 0.648 4.962 4.320 -0.011 0.000 0.327 609 A C -0.483 177.252 177.584 0.251 0.000 1.178 609 A CA -0.737 51.381 52.037 0.136 0.000 0.817 609 A CB 1.042 20.047 19.000 0.008 0.000 1.189 609 A HN 0.775 nan 8.150 nan 0.000 0.489 610 A N 3.726 126.673 122.820 0.212 0.000 2.511 610 A HA 0.474 4.787 4.320 -0.011 0.000 0.242 610 A C -1.341 176.310 177.584 0.111 0.000 1.069 610 A CA -0.795 51.375 52.037 0.221 0.000 0.763 610 A CB -0.352 18.747 19.000 0.166 0.000 1.001 610 A HN 0.603 nan 8.150 nan 0.000 0.498 611 P HA -0.161 nan 4.420 nan 0.000 0.217 611 P C 1.329 178.616 177.300 -0.022 0.000 1.151 611 P CA 2.079 65.116 63.100 -0.105 0.000 0.849 611 P CB 0.171 31.756 31.700 -0.192 0.000 0.787 612 G N -3.117 105.691 108.800 0.013 0.000 3.042 612 G HA2 -0.092 3.861 3.960 -0.011 0.000 0.212 612 G HA3 -0.092 3.861 3.960 -0.011 0.000 0.212 612 G C -0.107 174.824 174.900 0.051 0.000 1.166 612 G CA -0.156 44.955 45.100 0.020 0.000 0.767 612 G HN 0.306 nan 8.290 nan 0.000 0.546 613 Y N 1.577 121.812 120.300 -0.108 0.000 2.636 613 Y HA 0.192 4.736 4.550 -0.011 0.000 0.341 613 Y C 1.772 177.651 175.900 -0.035 0.000 1.169 613 Y CA -1.073 56.945 58.100 -0.136 0.000 1.498 613 Y CB 0.236 38.574 38.460 -0.204 0.000 1.362 613 Y HN 0.333 nan 8.280 nan 0.000 0.494 614 H N 3.379 122.566 119.070 0.196 0.000 2.289 614 H HA -0.273 4.277 4.556 -0.011 0.000 0.296 614 H C 2.004 177.367 175.328 0.059 0.000 1.091 614 H CA 2.807 58.918 56.048 0.104 0.000 1.274 614 H CB 0.193 30.009 29.762 0.090 0.000 1.364 614 H HN 0.704 nan 8.280 nan 0.000 0.490 615 M N 0.376 119.965 119.600 -0.018 0.000 2.108 615 M HA -0.074 4.400 4.480 -0.011 0.000 0.261 615 M C 2.379 178.453 176.300 -0.377 0.000 1.066 615 M CA 1.901 57.106 55.300 -0.158 0.000 1.107 615 M CB -0.876 31.767 32.600 0.072 0.000 1.356 615 M HN 0.408 nan 8.290 nan 0.000 0.406 616 A N -0.502 121.868 122.820 -0.750 0.000 1.933 616 A HA -0.188 4.125 4.320 -0.011 0.000 0.218 616 A C 2.188 179.563 177.584 -0.348 0.000 1.175 616 A CA 1.833 53.436 52.037 -0.723 0.000 0.628 616 A CB -0.629 17.697 19.000 -1.124 0.000 0.814 616 A HN 0.594 nan 8.150 nan 0.000 0.444 617 K N -1.151 119.099 120.400 -0.250 0.000 2.155 617 K HA -0.002 4.311 4.320 -0.011 0.000 0.203 617 K C 1.843 178.394 176.600 -0.082 0.000 1.052 617 K CA 1.068 57.296 56.287 -0.098 0.000 0.948 617 K CB -0.182 32.321 32.500 0.004 0.000 0.728 617 K HN 0.332 nan 8.250 nan 0.000 0.448 618 M N 0.505 120.006 119.600 -0.166 0.000 2.254 618 M HA -0.051 4.422 4.480 -0.011 0.000 0.265 618 M C 2.045 178.283 176.300 -0.104 0.000 1.066 618 M CA 1.339 56.586 55.300 -0.087 0.000 1.123 618 M CB -0.486 32.032 32.600 -0.137 0.000 1.388 618 M HN 0.121 nan 8.290 nan 0.000 0.425 619 I N -0.435 120.033 120.570 -0.171 0.000 2.353 619 I HA -0.265 3.899 4.170 -0.011 0.000 0.248 619 I C 2.225 178.208 176.117 -0.224 0.000 1.119 619 I CA 0.858 62.046 61.300 -0.188 0.000 1.417 619 I CB -0.201 37.689 38.000 -0.184 0.000 1.078 619 I HN 0.154 nan 8.210 nan 0.000 0.421 620 I N 0.695 121.113 120.570 -0.252 0.000 2.226 620 I HA -0.291 3.873 4.170 -0.011 0.000 0.245 620 I C 2.559 178.384 176.117 -0.486 0.000 1.100 620 I CA 1.188 62.242 61.300 -0.409 0.000 1.374 620 I CB -0.220 37.519 38.000 -0.434 0.000 1.057 620 I HN 0.128 nan 8.210 nan 0.000 0.413 621 K N 1.419 121.552 120.400 -0.444 0.000 2.097 621 K HA -0.138 4.176 4.320 -0.011 0.000 0.206 621 K C 2.002 178.425 176.600 -0.296 0.000 1.049 621 K CA 1.414 57.355 56.287 -0.577 0.000 0.933 621 K CB -0.492 31.390 32.500 -1.030 0.000 0.717 621 K HN 0.235 nan 8.250 nan 0.000 0.442 622 L N 0.321 121.389 121.223 -0.260 0.000 2.017 622 L HA -0.153 4.180 4.340 -0.011 0.000 0.208 622 L C 2.151 178.776 176.870 -0.408 0.000 1.073 622 L CA 1.684 56.214 54.840 -0.516 0.000 0.745 622 L CB -0.287 41.410 42.059 -0.605 0.000 0.894 622 L HN 0.247 nan 8.230 nan 0.000 0.432 623 I N -0.121 120.263 120.570 -0.309 0.000 2.163 623 I HA -0.336 3.827 4.170 -0.011 0.000 0.243 623 I C 2.607 178.613 176.117 -0.184 0.000 1.085 623 I CA 1.946 63.119 61.300 -0.211 0.000 1.347 623 I CB -0.597 37.363 38.000 -0.066 0.000 1.044 623 I HN 0.438 nan 8.210 nan 0.000 0.408 624 T N -0.955 113.459 114.554 -0.233 0.000 2.867 624 T HA -0.031 4.312 4.350 -0.011 0.000 0.268 624 T C 1.975 176.602 174.700 -0.122 0.000 1.057 624 T CA 0.873 62.870 62.100 -0.172 0.000 1.136 624 T CB -0.426 68.296 68.868 -0.243 0.000 0.874 624 T HN 0.340 nan 8.240 nan 0.000 0.466 625 A N 1.406 124.148 122.820 -0.130 0.000 1.930 625 A HA 0.174 4.488 4.320 -0.011 0.000 0.217 625 A C 2.349 179.929 177.584 -0.007 0.000 1.175 625 A CA 1.116 53.144 52.037 -0.015 0.000 0.627 625 A CB -0.790 18.290 19.000 0.132 0.000 0.815 625 A HN 0.574 nan 8.150 nan 0.000 0.443 626 I N -0.317 120.137 120.570 -0.194 0.000 2.252 626 I HA -0.183 3.981 4.170 -0.011 0.000 0.245 626 I C 2.670 178.722 176.117 -0.107 0.000 1.102 626 I CA 1.126 62.274 61.300 -0.254 0.000 1.385 626 I CB -0.489 37.256 38.000 -0.426 0.000 1.064 626 I HN 0.389 nan 8.210 nan 0.000 0.414 627 G N 0.214 108.950 108.800 -0.107 0.000 2.432 627 G HA2 -0.234 3.720 3.960 -0.011 0.000 0.219 627 G HA3 -0.234 3.720 3.960 -0.011 0.000 0.219 627 G C 1.245 176.102 174.900 -0.072 0.000 1.135 627 G CA 0.801 45.844 45.100 -0.095 0.000 0.767 627 G HN 0.277 nan 8.290 nan 0.000 0.550 628 D N 0.143 120.549 120.400 0.010 0.000 2.144 628 D HA -0.080 4.553 4.640 -0.011 0.000 0.199 628 D C 2.720 179.111 176.300 0.151 0.000 0.984 628 D CA 0.681 54.759 54.000 0.130 0.000 0.834 628 D CB -0.179 40.679 40.800 0.096 0.000 0.955 628 D HN 0.251 nan 8.370 nan 0.000 0.465 629 V N 0.314 120.250 119.914 0.036 0.000 2.273 629 V HA -0.147 3.967 4.120 -0.011 0.000 0.242 629 V C 2.646 178.665 176.094 -0.125 0.000 1.035 629 V CA 0.811 63.077 62.300 -0.055 0.000 1.013 629 V CB -0.454 31.301 31.823 -0.114 0.000 0.652 629 V HN 0.020 nan 8.190 nan 0.000 0.452 630 V N 0.997 120.772 119.914 -0.232 0.000 2.287 630 V HA -0.240 3.873 4.120 -0.011 0.000 0.248 630 V C 2.208 178.231 176.094 -0.119 0.000 1.053 630 V CA 2.190 64.351 62.300 -0.232 0.000 1.027 630 V CB -0.956 30.735 31.823 -0.219 0.000 0.646 630 V HN 0.559 nan 8.190 nan 0.000 0.447 631 N N -0.348 118.215 118.700 -0.229 0.000 2.453 631 N HA -0.100 4.633 4.740 -0.011 0.000 0.183 631 N C 1.253 176.465 175.510 -0.497 0.000 1.041 631 N CA 1.014 53.840 53.050 -0.374 0.000 0.900 631 N CB -0.313 37.867 38.487 -0.512 0.000 0.961 631 N HN 0.711 nan 8.380 nan 0.000 0.443 632 H N -1.596 117.478 119.070 0.008 0.000 2.674 632 H HA 0.209 4.759 4.556 -0.010 0.000 0.274 632 H C -0.517 174.830 175.328 0.032 0.000 1.121 632 H CA -0.495 55.562 56.048 0.014 0.000 1.132 632 H CB 0.639 30.399 29.762 -0.003 0.000 1.606 632 H HN -0.019 nan 8.280 nan 0.000 0.558 633 D N 1.788 122.257 120.400 0.115 0.000 2.316 633 D HA 0.036 4.670 4.640 -0.011 0.000 0.245 633 D C -1.611 174.752 176.300 0.106 0.000 1.171 633 D CA -1.985 52.102 54.000 0.145 0.000 0.856 633 D CB 1.713 42.674 40.800 0.269 0.000 1.090 633 D HN 0.115 nan 8.370 nan 0.000 0.476 634 P HA -0.126 nan 4.420 nan 0.000 0.217 634 P C 1.638 178.967 177.300 0.048 0.000 1.150 634 P CA 0.376 63.511 63.100 0.059 0.000 0.832 634 P CB 0.388 32.117 31.700 0.048 0.000 0.787 635 V N -0.459 119.483 119.914 0.047 0.000 2.490 635 V HA -0.180 3.934 4.120 -0.011 0.000 0.250 635 V C 2.452 178.558 176.094 0.020 0.000 1.061 635 V CA 1.555 63.869 62.300 0.024 0.000 1.064 635 V CB -1.040 30.787 31.823 0.007 0.000 0.670 635 V HN -0.017 nan 8.190 nan 0.000 0.461 636 V N -0.357 119.587 119.914 0.049 0.000 2.453 636 V HA 0.089 4.202 4.120 -0.011 0.000 0.247 636 V C 1.794 177.903 176.094 0.024 0.000 1.048 636 V CA 1.448 63.775 62.300 0.046 0.000 1.049 636 V CB -1.074 30.822 31.823 0.121 0.000 0.672 636 V HN 0.748 nan 8.190 nan 0.000 0.457 637 G N 1.502 110.322 108.800 0.032 0.000 2.574 637 G HA2 -0.405 3.548 3.960 -0.011 0.000 0.286 637 G HA3 -0.405 3.548 3.960 -0.011 0.000 0.286 637 G C 0.249 175.162 174.900 0.022 0.000 1.212 637 G CA 0.599 45.715 45.100 0.027 0.000 0.979 637 G HN 0.739 nan 8.290 nan 0.000 0.557 638 D N -0.153 120.260 120.400 0.021 0.000 2.427 638 D HA 0.362 4.996 4.640 -0.011 0.000 0.224 638 D C 1.790 178.086 176.300 -0.006 0.000 1.157 638 D CA 0.101 54.113 54.000 0.021 0.000 0.828 638 D CB 0.195 41.023 40.800 0.048 0.000 0.974 638 D HN 0.544 nan 8.370 nan 0.000 0.498 639 R N -0.701 119.783 120.500 -0.026 0.000 2.200 639 R HA 0.291 4.625 4.340 -0.011 0.000 0.208 639 R C -0.188 176.071 176.300 -0.070 0.000 1.033 639 R CA 0.299 56.358 56.100 -0.069 0.000 1.000 639 R CB 0.225 30.465 30.300 -0.101 0.000 0.906 639 R HN 0.169 nan 8.270 nan 0.000 0.462 640 L N 0.532 121.732 121.223 -0.039 0.000 2.516 640 L HA 0.418 4.751 4.340 -0.011 0.000 0.267 640 L C -1.612 175.233 176.870 -0.041 0.000 0.957 640 L CA -0.537 54.278 54.840 -0.042 0.000 0.860 640 L CB 1.768 43.817 42.059 -0.017 0.000 1.265 640 L HN -0.145 nan 8.230 nan 0.000 0.403 641 R N 4.000 124.463 120.500 -0.061 0.000 2.575 641 R HA 0.707 5.040 4.340 -0.011 0.000 0.293 641 R C -1.592 174.652 176.300 -0.093 0.000 0.983 641 R CA -0.756 55.296 56.100 -0.080 0.000 0.887 641 R CB 2.359 32.611 30.300 -0.079 0.000 1.184 641 R HN 0.403 nan 8.270 nan 0.000 0.445 642 V N 5.338 125.193 119.914 -0.100 0.000 2.334 642 V HA 0.447 4.560 4.120 -0.011 0.000 0.281 642 V C -0.165 175.880 176.094 -0.081 0.000 1.016 642 V CA -0.636 61.607 62.300 -0.095 0.000 0.832 642 V CB 1.430 33.192 31.823 -0.101 0.000 0.999 642 V HN 0.538 nan 8.190 nan 0.000 0.439 643 I N 5.059 125.579 120.570 -0.083 0.000 2.465 643 I HA 0.440 4.604 4.170 -0.011 0.000 0.291 643 I C -0.652 175.436 176.117 -0.048 0.000 1.014 643 I CA -0.348 60.912 61.300 -0.066 0.000 1.093 643 I CB 1.863 39.799 38.000 -0.107 0.000 1.267 643 I HN 0.549 nan 8.210 nan 0.000 0.431 644 F N 7.439 127.319 119.950 -0.117 0.000 2.405 644 F HA 0.472 4.992 4.527 -0.010 0.000 0.355 644 F C -0.634 175.096 175.800 -0.117 0.000 1.121 644 F CA -0.699 57.233 58.000 -0.113 0.000 1.112 644 F CB 0.667 39.604 39.000 -0.104 0.000 1.126 644 F HN 0.148 nan 8.300 nan 0.000 0.481 645 L N 6.095 126.860 121.223 -0.763 0.000 2.407 645 L HA 0.157 4.490 4.340 -0.011 0.000 0.282 645 L C 0.277 176.866 176.870 -0.469 0.000 1.110 645 L CA 0.127 54.671 54.840 -0.494 0.000 0.863 645 L CB -0.031 41.828 42.059 -0.333 0.000 1.207 645 L HN 0.621 nan 8.230 nan 0.000 0.454 646 E N 3.223 123.288 120.200 -0.226 0.000 2.384 646 E HA -0.045 4.298 4.350 -0.011 0.000 0.266 646 E C 0.536 177.193 176.600 0.094 0.000 1.012 646 E CA -0.089 56.327 56.400 0.027 0.000 0.901 646 E CB 0.258 29.966 29.700 0.012 0.000 0.967 646 E HN 0.519 nan 8.360 nan 0.000 0.435 647 N N 2.578 121.391 118.700 0.189 0.000 2.725 647 N HA -0.284 4.449 4.740 -0.011 0.000 0.251 647 N C -1.577 174.022 175.510 0.149 0.000 1.031 647 N CA 0.528 53.684 53.050 0.175 0.000 0.720 647 N CB -1.441 37.165 38.487 0.199 0.000 0.930 647 N HN 0.462 nan 8.380 nan 0.000 0.543 648 Y N 1.515 121.819 120.300 0.006 0.000 2.632 648 Y HA 0.185 4.729 4.550 -0.011 0.000 0.329 648 Y C 1.154 177.066 175.900 0.021 0.000 1.174 648 Y CA 0.507 58.598 58.100 -0.015 0.000 1.469 648 Y CB 0.328 38.749 38.460 -0.064 0.000 1.242 648 Y HN 0.369 nan 8.280 nan 0.000 0.540 649 R N 2.437 122.598 120.500 -0.564 0.000 2.762 649 R HA 0.441 4.775 4.340 -0.011 0.000 0.271 649 R C -0.353 175.597 176.300 -0.583 0.000 1.038 649 R CA -0.587 55.252 56.100 -0.434 0.000 0.906 649 R CB 0.317 30.548 30.300 -0.114 0.000 1.259 649 R HN 0.362 nan 8.270 nan 0.000 0.457 650 V N 1.125 120.727 119.914 -0.520 0.000 2.282 650 V HA -0.298 3.815 4.120 -0.011 0.000 0.249 650 V C 2.579 178.535 176.094 -0.230 0.000 1.057 650 V CA 2.875 64.938 62.300 -0.396 0.000 1.032 650 V CB -0.849 30.715 31.823 -0.432 0.000 0.645 650 V HN 0.928 nan 8.190 nan 0.000 0.447 651 S N 0.001 115.591 115.700 -0.184 0.000 2.399 651 S HA -0.161 4.302 4.470 -0.011 0.000 0.231 651 S C 1.897 176.438 174.600 -0.098 0.000 1.022 651 S CA 1.608 59.732 58.200 -0.128 0.000 0.983 651 S CB -0.474 62.681 63.200 -0.074 0.000 0.803 651 S HN 0.403 nan 8.310 nan 0.000 0.480 652 L N 1.851 123.016 121.223 -0.097 0.000 2.131 652 L HA 0.380 4.714 4.340 -0.011 0.000 0.206 652 L C 2.619 179.480 176.870 -0.014 0.000 1.087 652 L CA 1.297 56.120 54.840 -0.027 0.000 0.767 652 L CB -1.285 40.811 42.059 0.061 0.000 0.917 652 L HN 0.328 nan 8.230 nan 0.000 0.441 653 A N -0.608 122.174 122.820 -0.063 0.000 1.902 653 A HA -0.233 4.081 4.320 -0.011 0.000 0.217 653 A C 2.129 179.758 177.584 0.075 0.000 1.181 653 A CA 1.803 53.886 52.037 0.076 0.000 0.623 653 A CB -0.622 18.405 19.000 0.045 0.000 0.818 653 A HN 0.586 nan 8.150 nan 0.000 0.443 654 E N -0.450 119.780 120.200 0.050 0.000 2.265 654 E HA -0.167 4.177 4.350 -0.011 0.000 0.196 654 E C 1.888 178.453 176.600 -0.060 0.000 0.996 654 E CA 1.166 57.559 56.400 -0.010 0.000 0.832 654 E CB -0.040 29.563 29.700 -0.163 0.000 0.756 654 E HN 0.614 nan 8.360 nan 0.000 0.491 655 K N -0.081 120.265 120.400 -0.090 0.000 2.141 655 K HA -0.022 4.291 4.320 -0.011 0.000 0.202 655 K C 2.214 178.628 176.600 -0.310 0.000 1.045 655 K CA 0.951 57.168 56.287 -0.116 0.000 0.971 655 K CB 0.259 32.694 32.500 -0.109 0.000 0.795 655 K HN -0.003 nan 8.250 nan 0.000 0.459 656 V N 1.269 120.897 119.914 -0.476 0.000 2.323 656 V HA -0.194 3.920 4.120 -0.011 0.000 0.244 656 V C 2.253 178.089 176.094 -0.430 0.000 1.041 656 V CA 1.347 63.152 62.300 -0.825 0.000 1.025 656 V CB -0.763 30.726 31.823 -0.556 0.000 0.656 656 V HN 0.203 nan 8.190 nan 0.000 0.451 657 I N 0.908 121.278 120.570 -0.332 0.000 2.118 657 I HA -0.181 3.982 4.170 -0.011 0.000 0.241 657 I C -0.051 175.947 176.117 -0.198 0.000 1.070 657 I CA 2.014 63.055 61.300 -0.432 0.000 1.327 657 I CB -1.659 35.985 38.000 -0.594 0.000 1.034 657 I HN 0.366 nan 8.210 nan 0.000 0.405 658 P HA -0.103 nan 4.420 nan 0.000 0.225 658 P C 0.855 178.153 177.300 -0.004 0.000 1.148 658 P CA 1.236 64.312 63.100 -0.040 0.000 0.779 658 P CB 0.022 31.708 31.700 -0.024 0.000 0.780 659 A N -1.302 121.499 122.820 -0.031 0.000 2.308 659 A HA 0.515 4.829 4.320 -0.011 0.000 0.217 659 A C 1.133 178.833 177.584 0.193 0.000 1.216 659 A CA 0.039 52.121 52.037 0.075 0.000 0.864 659 A CB -0.564 18.492 19.000 0.095 0.000 0.902 659 A HN 0.194 nan 8.150 nan 0.000 0.499 660 A N -0.252 122.665 122.820 0.162 0.000 2.340 660 A HA 0.497 4.811 4.320 -0.011 0.000 0.268 660 A C 0.352 178.078 177.584 0.237 0.000 1.100 660 A CA -0.162 52.030 52.037 0.259 0.000 0.803 660 A CB 0.395 19.637 19.000 0.402 0.000 1.043 660 A HN 0.250 nan 8.150 nan 0.000 0.488 661 D N 0.197 120.730 120.400 0.222 0.000 2.525 661 D HA 0.137 4.770 4.640 -0.011 0.000 0.248 661 D C -0.022 176.461 176.300 0.306 0.000 1.000 661 D CA 0.658 54.826 54.000 0.280 0.000 0.923 661 D CB 0.301 41.176 40.800 0.124 0.000 1.101 661 D HN 0.359 nan 8.370 nan 0.000 0.493 662 L N 1.283 122.578 121.223 0.119 0.000 2.356 662 L HA 0.306 4.640 4.340 -0.011 0.000 0.277 662 L C -0.788 175.951 176.870 -0.220 0.000 0.996 662 L CA -0.289 54.545 54.840 -0.009 0.000 0.822 662 L CB 1.973 44.002 42.059 -0.051 0.000 1.256 662 L HN -0.158 nan 8.230 nan 0.000 0.413 663 S N 4.574 120.051 115.700 -0.372 0.000 2.429 663 S HA 0.342 4.806 4.470 -0.011 0.000 0.302 663 S C -0.403 173.905 174.600 -0.488 0.000 1.115 663 S CA -0.694 57.031 58.200 -0.792 0.000 1.095 663 S CB 0.785 63.379 63.200 -1.009 0.000 0.987 663 S HN 0.585 nan 8.310 nan 0.000 0.474 664 E N 4.186 124.122 120.200 -0.440 0.000 2.089 664 E HA 0.198 4.541 4.350 -0.011 0.000 0.284 664 E C -0.526 175.956 176.600 -0.195 0.000 1.023 664 E CA -0.404 55.862 56.400 -0.223 0.000 0.819 664 E CB 0.918 30.520 29.700 -0.162 0.000 1.076 664 E HN 0.615 nan 8.360 nan 0.000 0.396 665 Q N 2.864 122.601 119.800 -0.105 0.000 2.907 665 Q HA 0.265 4.599 4.340 -0.011 0.000 0.262 665 Q C 0.575 176.552 176.000 -0.038 0.000 0.997 665 Q CA -0.143 55.611 55.803 -0.081 0.000 0.797 665 Q CB 0.284 28.988 28.738 -0.056 0.000 1.228 665 Q HN 0.617 nan 8.270 nan 0.000 0.466 666 I N -1.426 119.108 120.570 -0.061 0.000 3.637 666 I HA 0.282 4.446 4.170 -0.011 0.000 0.342 666 I C 0.299 176.348 176.117 -0.113 0.000 1.545 666 I CA -0.638 60.628 61.300 -0.056 0.000 1.126 666 I CB 0.272 38.245 38.000 -0.044 0.000 1.375 666 I HN -0.007 nan 8.210 nan 0.000 0.467 667 S N 0.366 116.001 115.700 -0.108 0.000 2.584 667 S HA 0.240 4.704 4.470 -0.011 0.000 0.270 667 S C 0.542 175.109 174.600 -0.056 0.000 1.346 667 S CA -0.332 57.820 58.200 -0.081 0.000 1.018 667 S CB 0.587 63.788 63.200 0.002 0.000 0.899 667 S HN 0.405 nan 8.310 nan 0.000 0.542 668 T N 2.538 117.091 114.554 -0.002 0.000 2.853 668 T HA 0.409 4.753 4.350 -0.011 0.000 0.298 668 T C 0.721 175.425 174.700 0.006 0.000 0.978 668 T CA 0.174 62.286 62.100 0.019 0.000 1.152 668 T CB 0.043 68.995 68.868 0.140 0.000 0.914 668 T HN 0.993 nan 8.240 nan 0.000 0.539 669 A N 2.820 125.614 122.820 -0.042 0.000 2.591 669 A HA 0.424 4.737 4.320 -0.011 0.000 0.244 669 A C 1.667 179.242 177.584 -0.014 0.000 1.031 669 A CA 0.374 52.384 52.037 -0.045 0.000 0.767 669 A CB -0.949 18.014 19.000 -0.062 0.000 0.942 669 A HN 1.713 nan 8.150 nan 0.000 0.514 670 G N 1.437 110.228 108.800 -0.015 0.000 2.175 670 G HA2 -0.255 3.699 3.960 -0.011 0.000 0.244 670 G HA3 -0.255 3.699 3.960 -0.011 0.000 0.244 670 G C 0.942 175.832 174.900 -0.017 0.000 0.982 670 G CA 1.150 46.244 45.100 -0.010 0.000 0.641 670 G HN 2.042 nan 8.290 nan 0.000 0.527 671 T N -2.401 112.143 114.554 -0.017 0.000 3.034 671 T HA 0.398 4.742 4.350 -0.011 0.000 0.248 671 T C 0.777 175.343 174.700 -0.224 0.000 1.040 671 T CA 1.127 63.159 62.100 -0.113 0.000 1.107 671 T CB 0.526 69.376 68.868 -0.031 0.000 0.932 671 T HN 0.293 nan 8.240 nan 0.000 0.474 672 E N 1.439 121.632 120.200 -0.012 0.000 2.044 672 E HA 0.667 5.011 4.350 -0.011 0.000 0.282 672 E C 1.186 177.743 176.600 -0.072 0.000 1.031 672 E CA 0.054 56.487 56.400 0.055 0.000 0.824 672 E CB 0.754 30.534 29.700 0.134 0.000 1.076 672 E HN 0.328 nan 8.360 nan 0.000 0.395 673 A N 3.457 126.157 122.820 -0.201 0.000 1.915 673 A HA -0.261 4.052 4.320 -0.011 0.000 0.220 673 A C 1.971 179.444 177.584 -0.185 0.000 1.198 673 A CA 2.480 54.268 52.037 -0.414 0.000 0.647 673 A CB -0.333 18.211 19.000 -0.760 0.000 0.825 673 A HN 0.627 nan 8.150 nan 0.000 0.456 674 S N -4.227 111.418 115.700 -0.091 0.000 4.193 674 S HA 0.452 4.916 4.470 -0.011 0.000 0.211 674 S C 0.674 175.267 174.600 -0.011 0.000 1.162 674 S CA 1.359 59.548 58.200 -0.018 0.000 1.039 674 S CB -0.130 63.083 63.200 0.022 0.000 1.371 674 S HN 2.365 nan 8.310 nan 0.000 0.550 675 G N 0.238 109.037 108.800 -0.001 0.000 2.692 675 G HA2 0.007 3.961 3.960 -0.011 0.000 0.686 675 G HA3 0.007 3.961 3.960 -0.011 0.000 0.686 675 G C 0.226 175.112 174.900 -0.023 0.000 1.243 675 G CA 0.442 45.538 45.100 -0.006 0.000 0.782 675 G HN 1.397 nan 8.290 nan 0.000 0.625 676 T N -2.137 112.390 114.554 -0.045 0.000 3.029 676 T HA 0.378 4.721 4.350 -0.011 0.000 0.256 676 T C 2.351 176.958 174.700 -0.156 0.000 0.914 676 T CA 1.251 63.296 62.100 -0.091 0.000 0.880 676 T CB 0.317 69.122 68.868 -0.104 0.000 1.246 676 T HN 1.895 nan 8.240 nan 0.000 0.523 677 G N 3.136 111.871 108.800 -0.107 0.000 2.442 677 G HA2 -0.255 3.698 3.960 -0.011 0.000 0.219 677 G HA3 -0.255 3.698 3.960 -0.011 0.000 0.219 677 G C 1.464 176.418 174.900 0.089 0.000 1.141 677 G CA 1.159 46.213 45.100 -0.077 0.000 0.763 677 G HN 0.823 nan 8.290 nan 0.000 0.554 678 N N 0.249 118.983 118.700 0.055 0.000 2.104 678 N HA -0.160 4.574 4.740 -0.011 0.000 0.190 678 N C 2.212 177.730 175.510 0.015 0.000 1.024 678 N CA 1.411 54.495 53.050 0.057 0.000 0.853 678 N CB -0.376 38.095 38.487 -0.026 0.000 1.008 678 N HN 0.351 nan 8.380 nan 0.000 0.424 679 M N 0.751 120.294 119.600 -0.095 0.000 2.229 679 M HA -0.013 4.461 4.480 -0.011 0.000 0.264 679 M C 1.973 178.230 176.300 -0.071 0.000 1.063 679 M CA 1.367 56.594 55.300 -0.121 0.000 1.114 679 M CB -0.082 32.455 32.600 -0.105 0.000 1.387 679 M HN 0.102 nan 8.290 nan 0.000 0.420 680 K N 0.142 120.431 120.400 -0.184 0.000 2.057 680 K HA -0.101 4.213 4.320 -0.011 0.000 0.207 680 K C 1.701 178.194 176.600 -0.179 0.000 1.049 680 K CA 1.380 57.487 56.287 -0.299 0.000 0.931 680 K CB -0.265 31.826 32.500 -0.681 0.000 0.714 680 K HN 0.160 nan 8.250 nan 0.000 0.440 681 F N 1.062 120.942 119.950 -0.116 0.000 2.186 681 F HA -0.100 4.420 4.527 -0.011 0.000 0.299 681 F C 2.532 178.307 175.800 -0.042 0.000 1.090 681 F CA 1.114 59.071 58.000 -0.073 0.000 1.307 681 F CB -0.261 38.685 39.000 -0.090 0.000 1.019 681 F HN -0.005 nan 8.300 nan 0.000 0.489 682 M N -0.503 119.186 119.600 0.148 0.000 2.159 682 M HA -0.187 4.286 4.480 -0.011 0.000 0.263 682 M C 2.068 178.426 176.300 0.096 0.000 1.063 682 M CA 1.526 56.885 55.300 0.099 0.000 1.110 682 M CB -0.207 32.446 32.600 0.087 0.000 1.374 682 M HN 0.259 nan 8.290 nan 0.000 0.411 683 L N 0.761 122.038 121.223 0.090 0.000 2.291 683 L HA -0.071 4.262 4.340 -0.011 0.000 0.214 683 L C 1.276 178.192 176.870 0.077 0.000 1.120 683 L CA 1.556 56.453 54.840 0.096 0.000 0.799 683 L CB -0.550 41.575 42.059 0.110 0.000 0.925 683 L HN 0.334 nan 8.230 nan 0.000 0.446 684 N N -0.164 118.574 118.700 0.063 0.000 2.251 684 N HA 0.166 4.899 4.740 -0.011 0.000 0.217 684 N C 0.791 176.339 175.510 0.064 0.000 1.124 684 N CA 0.768 53.849 53.050 0.052 0.000 0.843 684 N CB 0.488 38.985 38.487 0.017 0.000 1.024 684 N HN 0.390 nan 8.380 nan 0.000 0.501 685 G N 0.597 109.440 108.800 0.070 0.000 2.171 685 G HA2 -0.203 3.751 3.960 -0.011 0.000 0.238 685 G HA3 -0.203 3.751 3.960 -0.011 0.000 0.238 685 G C -0.038 174.931 174.900 0.115 0.000 1.039 685 G CA 0.186 45.330 45.100 0.072 0.000 0.759 685 G HN 0.524 nan 8.290 nan 0.000 0.501 686 A N -0.565 122.330 122.820 0.125 0.000 2.337 686 A HA 0.896 5.209 4.320 -0.011 0.000 0.331 686 A C -0.176 177.414 177.584 0.010 0.000 1.137 686 A CA -0.704 51.422 52.037 0.149 0.000 0.807 686 A CB 1.416 20.559 19.000 0.237 0.000 1.250 686 A HN 0.730 nan 8.150 nan 0.000 0.468 687 L N 0.777 121.972 121.223 -0.046 0.000 2.379 687 L HA 0.565 4.899 4.340 -0.011 0.000 0.269 687 L C 0.549 177.286 176.870 -0.221 0.000 1.084 687 L CA 0.449 55.159 54.840 -0.217 0.000 0.802 687 L CB 1.516 43.356 42.059 -0.366 0.000 1.175 687 L HN 0.745 nan 8.230 nan 0.000 0.448 688 T N 3.899 118.196 114.554 -0.428 0.000 2.797 688 T HA 0.536 4.880 4.350 -0.011 0.000 0.279 688 T C -0.316 174.236 174.700 -0.246 0.000 0.991 688 T CA -0.203 61.624 62.100 -0.455 0.000 0.979 688 T CB 1.055 69.470 68.868 -0.755 0.000 0.943 688 T HN 0.451 nan 8.240 nan 0.000 0.444 689 I N 2.823 123.345 120.570 -0.080 0.000 2.355 689 I HA 0.733 4.897 4.170 -0.011 0.000 0.288 689 I C 0.019 176.276 176.117 0.233 0.000 0.999 689 I CA 0.039 61.412 61.300 0.122 0.000 1.163 689 I CB 0.338 38.340 38.000 0.003 0.000 1.316 689 I HN 0.789 nan 8.210 nan 0.000 0.454 690 G N 3.979 112.994 108.800 0.357 0.000 2.550 690 G HA2 0.464 4.417 3.960 -0.011 0.000 0.293 690 G HA3 0.464 4.417 3.960 -0.011 0.000 0.293 690 G C -0.945 173.886 174.900 -0.114 0.000 1.402 690 G CA -0.332 44.892 45.100 0.207 0.000 0.784 690 G HN 0.582 nan 8.290 nan 0.000 0.482 691 T N -1.634 112.725 114.554 -0.324 0.000 2.881 691 T HA 0.524 4.867 4.350 -0.011 0.000 0.278 691 T C 0.683 175.269 174.700 -0.189 0.000 0.982 691 T CA -0.709 61.125 62.100 -0.443 0.000 0.989 691 T CB 1.195 69.803 68.868 -0.434 0.000 1.058 691 T HN 0.248 nan 8.240 nan 0.000 0.529 692 M N 2.803 122.302 119.600 -0.168 0.000 3.442 692 M HA 0.330 4.804 4.480 -0.011 0.000 0.232 692 M C -0.433 175.815 176.300 -0.087 0.000 1.508 692 M CA -0.130 55.106 55.300 -0.106 0.000 1.647 692 M CB -1.896 30.650 32.600 -0.090 0.000 1.126 692 M HN 0.722 nan 8.290 nan 0.000 0.557 693 D N -0.233 120.121 120.400 -0.077 0.000 2.527 693 D HA 0.677 5.310 4.640 -0.011 0.000 0.233 693 D C 0.805 177.084 176.300 -0.036 0.000 1.063 693 D CA 0.688 54.657 54.000 -0.052 0.000 0.880 693 D CB 1.713 42.483 40.800 -0.050 0.000 1.457 693 D HN 0.572 nan 8.370 nan 0.000 0.475 694 G N 1.716 110.505 108.800 -0.019 0.000 2.652 694 G HA2 -0.289 3.665 3.960 -0.011 0.000 0.318 694 G HA3 -0.289 3.665 3.960 -0.011 0.000 0.318 694 G C 1.089 175.982 174.900 -0.011 0.000 1.295 694 G CA 1.297 46.392 45.100 -0.009 0.000 0.999 694 G HN 1.043 nan 8.290 nan 0.000 0.548 695 A N -0.461 122.348 122.820 -0.018 0.000 2.119 695 A HA 0.061 4.375 4.320 -0.011 0.000 0.217 695 A C 2.141 179.658 177.584 -0.111 0.000 1.153 695 A CA 1.936 53.954 52.037 -0.033 0.000 0.692 695 A CB -0.467 18.502 19.000 -0.053 0.000 0.799 695 A HN 0.631 nan 8.150 nan 0.000 0.458 696 N N 0.515 119.158 118.700 -0.094 0.000 2.094 696 N HA -0.161 4.573 4.740 -0.011 0.000 0.191 696 N C 1.590 176.972 175.510 -0.212 0.000 1.023 696 N CA 1.631 54.619 53.050 -0.103 0.000 0.857 696 N CB -0.621 37.855 38.487 -0.019 0.000 1.013 696 N HN 0.285 nan 8.380 nan 0.000 0.426 697 V N 1.165 120.997 119.914 -0.137 0.000 2.287 697 V HA -0.213 3.901 4.120 -0.011 0.000 0.248 697 V C 1.935 177.950 176.094 -0.133 0.000 1.053 697 V CA 1.706 63.924 62.300 -0.136 0.000 1.027 697 V CB -0.467 31.313 31.823 -0.073 0.000 0.646 697 V HN 0.368 nan 8.190 nan 0.000 0.447 698 E N -0.737 119.435 120.200 -0.046 0.000 2.216 698 E HA -0.107 4.237 4.350 -0.011 0.000 0.192 698 E C 2.189 178.874 176.600 0.142 0.000 0.988 698 E CA 0.900 57.345 56.400 0.075 0.000 0.834 698 E CB -0.143 29.688 29.700 0.218 0.000 0.772 698 E HN 0.552 nan 8.360 nan 0.000 0.479 699 M N 0.355 119.901 119.600 -0.090 0.000 2.099 699 M HA -0.102 4.371 4.480 -0.011 0.000 0.262 699 M C 2.465 178.509 176.300 -0.426 0.000 1.067 699 M CA 1.445 56.623 55.300 -0.204 0.000 1.124 699 M CB -0.111 32.250 32.600 -0.398 0.000 1.353 699 M HN 0.125 nan 8.290 nan 0.000 0.410 700 A N -0.085 122.192 122.820 -0.905 0.000 1.972 700 A HA -0.210 4.104 4.320 -0.011 0.000 0.219 700 A C 1.968 179.345 177.584 -0.346 0.000 1.169 700 A CA 1.910 53.373 52.037 -0.957 0.000 0.635 700 A CB -0.774 17.686 19.000 -0.900 0.000 0.810 700 A HN 0.593 nan 8.150 nan 0.000 0.446 701 E N -0.379 119.691 120.200 -0.217 0.000 2.106 701 E HA -0.201 4.142 4.350 -0.011 0.000 0.192 701 E C 1.700 178.270 176.600 -0.050 0.000 0.984 701 E CA 1.210 57.550 56.400 -0.100 0.000 0.806 701 E CB -0.050 29.613 29.700 -0.062 0.000 0.750 701 E HN 0.537 nan 8.360 nan 0.000 0.458 702 E N 0.057 120.254 120.200 -0.005 0.000 2.072 702 E HA -0.089 4.254 4.350 -0.011 0.000 0.190 702 E C 1.811 178.433 176.600 0.037 0.000 0.982 702 E CA 1.095 57.517 56.400 0.038 0.000 0.803 702 E CB -0.070 29.713 29.700 0.138 0.000 0.755 702 E HN 0.368 nan 8.360 nan 0.000 0.453 703 A N 0.329 123.171 122.820 0.037 0.000 2.081 703 A HA 0.367 4.680 4.320 -0.011 0.000 0.214 703 A C 1.026 178.626 177.584 0.026 0.000 1.158 703 A CA 1.039 53.114 52.037 0.064 0.000 0.724 703 A CB 0.105 19.202 19.000 0.162 0.000 0.826 703 A HN 0.233 nan 8.150 nan 0.000 0.463 704 G N -0.522 108.266 108.800 -0.019 0.000 3.225 704 G HA2 -0.083 3.871 3.960 -0.011 0.000 0.686 704 G HA3 -0.083 3.871 3.960 -0.011 0.000 0.686 704 G C -0.073 174.811 174.900 -0.028 0.000 1.105 704 G CA 0.007 45.090 45.100 -0.028 0.000 0.831 704 G HN 0.232 nan 8.290 nan 0.000 0.578 705 E N 0.734 120.905 120.200 -0.049 0.000 2.267 705 E HA -0.151 4.193 4.350 -0.011 0.000 0.197 705 E C 2.032 178.618 176.600 -0.023 0.000 0.998 705 E CA 1.745 58.125 56.400 -0.032 0.000 0.830 705 E CB 0.088 29.765 29.700 -0.040 0.000 0.751 705 E HN 0.770 nan 8.360 nan 0.000 0.491 706 E N 0.410 120.583 120.200 -0.046 0.000 2.274 706 E HA -0.074 4.269 4.350 -0.011 0.000 0.194 706 E C 0.930 177.439 176.600 -0.151 0.000 0.996 706 E CA 0.613 56.961 56.400 -0.086 0.000 0.840 706 E CB 0.058 29.721 29.700 -0.063 0.000 0.772 706 E HN 0.160 nan 8.360 nan 0.000 0.491 707 N N -0.287 118.359 118.700 -0.090 0.000 2.251 707 N HA 0.129 4.863 4.740 -0.011 0.000 0.217 707 N C -0.888 174.553 175.510 -0.114 0.000 1.124 707 N CA 0.130 53.104 53.050 -0.127 0.000 0.843 707 N CB 0.397 38.866 38.487 -0.030 0.000 1.024 707 N HN 0.043 nan 8.380 nan 0.000 0.501 708 F N -0.436 119.306 119.950 -0.348 0.000 2.588 708 F HA 0.418 4.938 4.527 -0.012 0.000 0.314 708 F C -0.724 174.850 175.800 -0.376 0.000 1.069 708 F CA -1.137 56.698 58.000 -0.275 0.000 0.931 708 F CB 1.346 40.274 39.000 -0.121 0.000 1.260 708 F HN -0.226 nan 8.300 nan 0.000 0.465 709 F N 5.030 124.972 119.950 -0.014 0.000 2.318 709 F HA 0.382 4.902 4.527 -0.010 0.000 0.356 709 F C -0.261 175.663 175.800 0.206 0.000 1.109 709 F CA -0.568 57.465 58.000 0.056 0.000 1.234 709 F CB -0.031 38.945 39.000 -0.039 0.000 1.545 709 F HN -0.007 nan 8.300 nan 0.000 0.534 710 I N 3.426 124.204 120.570 0.347 0.000 2.532 710 I HA 0.385 4.549 4.170 -0.011 0.000 0.292 710 I C -0.028 176.288 176.117 0.331 0.000 1.014 710 I CA -0.565 60.906 61.300 0.285 0.000 1.340 710 I CB 0.843 38.932 38.000 0.149 0.000 1.422 710 I HN 0.368 nan 8.210 nan 0.000 0.528 711 F N 1.831 121.846 119.950 0.108 0.000 2.831 711 F HA 0.804 5.324 4.527 -0.011 0.000 0.318 711 F C -0.039 175.802 175.800 0.067 0.000 1.174 711 F CA -0.405 57.649 58.000 0.091 0.000 0.918 711 F CB 0.899 39.967 39.000 0.112 0.000 1.364 711 F HN 0.816 nan 8.300 nan 0.000 0.475 712 G N 0.890 109.759 108.800 0.116 0.000 2.828 712 G HA2 -0.087 3.866 3.960 -0.011 0.000 0.463 712 G HA3 -0.087 3.866 3.960 -0.011 0.000 0.463 712 G C -0.803 174.066 174.900 -0.051 0.000 1.394 712 G CA -0.502 44.587 45.100 -0.018 0.000 0.862 712 G HN 0.957 nan 8.290 nan 0.000 0.540 713 M N 0.678 120.259 119.600 -0.031 0.000 2.248 713 M HA 0.322 4.796 4.480 -0.011 0.000 0.337 713 M C 1.121 177.388 176.300 -0.056 0.000 1.121 713 M CA -0.015 55.275 55.300 -0.017 0.000 1.155 713 M CB 0.346 32.947 32.600 0.001 0.000 1.514 713 M HN 0.539 nan 8.290 nan 0.000 0.452 714 R N 1.270 121.750 120.500 -0.033 0.000 2.608 714 R HA 0.333 4.666 4.340 -0.011 0.000 0.255 714 R C 1.203 177.485 176.300 -0.031 0.000 1.086 714 R CA -0.750 55.325 56.100 -0.042 0.000 1.125 714 R CB -0.037 30.245 30.300 -0.029 0.000 1.193 714 R HN 0.569 nan 8.270 nan 0.000 0.553 715 V N 1.519 121.413 119.914 -0.032 0.000 2.324 715 V HA -0.287 3.826 4.120 -0.011 0.000 0.250 715 V C 1.856 177.940 176.094 -0.017 0.000 1.060 715 V CA 2.102 64.386 62.300 -0.025 0.000 1.042 715 V CB -0.417 31.389 31.823 -0.028 0.000 0.650 715 V HN 0.636 nan 8.190 nan 0.000 0.450 716 E N -0.059 120.133 120.200 -0.014 0.000 2.110 716 E HA -0.192 4.152 4.350 -0.011 0.000 0.193 716 E C 1.961 178.565 176.600 0.007 0.000 0.988 716 E CA 1.419 57.816 56.400 -0.005 0.000 0.804 716 E CB -0.312 29.386 29.700 -0.004 0.000 0.745 716 E HN 0.634 nan 8.360 nan 0.000 0.458 717 D N -0.201 120.205 120.400 0.010 0.000 2.178 717 D HA -0.094 4.539 4.640 -0.011 0.000 0.202 717 D C 1.942 178.260 176.300 0.030 0.000 0.974 717 D CA 0.761 54.777 54.000 0.028 0.000 0.841 717 D CB 0.001 40.821 40.800 0.034 0.000 0.953 717 D HN 0.074 nan 8.370 nan 0.000 0.478 718 V N 1.732 121.652 119.914 0.009 0.000 2.358 718 V HA -0.205 3.909 4.120 -0.011 0.000 0.246 718 V C 1.961 178.059 176.094 0.006 0.000 1.047 718 V CA 1.624 63.923 62.300 -0.002 0.000 1.035 718 V CB -0.388 31.423 31.823 -0.020 0.000 0.658 718 V HN 0.006 nan 8.190 nan 0.000 0.452 719 D N -0.101 120.302 120.400 0.005 0.000 2.097 719 D HA -0.156 4.478 4.640 -0.011 0.000 0.195 719 D C 2.392 178.706 176.300 0.023 0.000 0.989 719 D CA 1.260 55.265 54.000 0.007 0.000 0.827 719 D CB -0.272 40.528 40.800 0.001 0.000 0.966 719 D HN 0.281 nan 8.370 nan 0.000 0.456 720 R N 0.033 120.551 120.500 0.030 0.000 2.091 720 R HA -0.055 4.279 4.340 -0.011 0.000 0.238 720 R C 2.450 178.788 176.300 0.062 0.000 1.136 720 R CA 0.648 56.774 56.100 0.042 0.000 0.959 720 R CB -0.375 29.952 30.300 0.044 0.000 0.856 720 R HN 0.201 nan 8.270 nan 0.000 0.437 721 L N 0.444 121.715 121.223 0.079 0.000 2.093 721 L HA -0.207 4.126 4.340 -0.011 0.000 0.208 721 L C 1.395 178.335 176.870 0.116 0.000 1.085 721 L CA 1.373 56.287 54.840 0.125 0.000 0.755 721 L CB -0.270 41.881 42.059 0.153 0.000 0.904 721 L HN 0.274 nan 8.230 nan 0.000 0.435 722 D N -0.803 119.639 120.400 0.071 0.000 2.149 722 D HA -0.161 4.473 4.640 -0.011 0.000 0.201 722 D C 2.283 178.616 176.300 0.054 0.000 0.972 722 D CA 0.813 54.847 54.000 0.058 0.000 0.835 722 D CB 0.043 40.857 40.800 0.023 0.000 0.966 722 D HN 0.380 nan 8.370 nan 0.000 0.476 723 Q N 0.474 120.301 119.800 0.045 0.000 2.050 723 Q HA -0.105 4.229 4.340 -0.011 0.000 0.202 723 Q C 2.257 178.284 176.000 0.046 0.000 0.980 723 Q CA 0.786 56.612 55.803 0.038 0.000 0.840 723 Q CB -0.306 28.450 28.738 0.031 0.000 0.898 723 Q HN 0.303 nan 8.270 nan 0.000 0.424 724 R N 0.217 120.752 120.500 0.059 0.000 2.066 724 R HA -0.024 4.310 4.340 -0.011 0.000 0.232 724 R C 0.182 176.524 176.300 0.070 0.000 1.131 724 R CA 1.199 57.337 56.100 0.062 0.000 0.955 724 R CB 0.000 30.346 30.300 0.076 0.000 0.851 724 R HN 0.391 nan 8.270 nan 0.000 0.432 725 G N -0.157 108.701 108.800 0.097 0.000 3.438 725 G HA2 -0.223 3.731 3.960 -0.011 0.000 0.684 725 G HA3 -0.223 3.731 3.960 -0.011 0.000 0.684 725 G C -1.380 173.617 174.900 0.161 0.000 1.192 725 G CA -0.541 44.624 45.100 0.108 0.000 1.013 725 G HN 0.294 nan 8.290 nan 0.000 0.530 726 Y N 3.806 124.144 120.300 0.063 0.000 2.480 726 Y HA 0.538 5.081 4.550 -0.011 0.000 0.341 726 Y C 0.410 176.371 175.900 0.101 0.000 1.031 726 Y CA -0.721 57.436 58.100 0.095 0.000 1.295 726 Y CB 0.870 39.368 38.460 0.063 0.000 1.162 726 Y HN 0.548 nan 8.280 nan 0.000 0.523 727 N N 5.271 123.745 118.700 -0.377 0.000 2.626 727 N HA 0.276 5.010 4.740 -0.011 0.000 0.249 727 N C 0.225 175.499 175.510 -0.392 0.000 1.021 727 N CA 0.315 53.168 53.050 -0.329 0.000 0.886 727 N CB 1.461 39.879 38.487 -0.115 0.000 1.149 727 N HN 0.892 nan 8.380 nan 0.000 0.517 728 A N 3.007 125.510 122.820 -0.528 0.000 1.978 728 A HA -0.232 4.081 4.320 -0.011 0.000 0.220 728 A C 1.950 179.672 177.584 0.230 0.000 1.170 728 A CA 1.490 53.457 52.037 -0.117 0.000 0.636 728 A CB -0.373 18.486 19.000 -0.234 0.000 0.810 728 A HN 0.755 nan 8.150 nan 0.000 0.448 729 Q N 0.083 119.911 119.800 0.046 0.000 2.152 729 Q HA -0.240 4.094 4.340 -0.011 0.000 0.206 729 Q C 1.885 177.964 176.000 0.131 0.000 0.985 729 Q CA 2.271 58.120 55.803 0.077 0.000 0.863 729 Q CB -0.338 28.398 28.738 -0.002 0.000 0.904 729 Q HN 0.778 nan 8.270 nan 0.000 0.422 730 E N -1.319 118.899 120.200 0.031 0.000 2.049 730 E HA -0.244 4.100 4.350 -0.011 0.000 0.198 730 E C 1.630 178.164 176.600 -0.109 0.000 1.007 730 E CA 1.593 57.936 56.400 -0.096 0.000 0.809 730 E CB -0.229 29.309 29.700 -0.270 0.000 0.749 730 E HN 0.587 nan 8.360 nan 0.000 0.450 731 Y N -1.179 119.181 120.300 0.099 0.000 2.242 731 Y HA -0.222 4.322 4.550 -0.011 0.000 0.291 731 Y C 2.189 178.074 175.900 -0.025 0.000 1.137 731 Y CA 1.521 59.663 58.100 0.070 0.000 1.181 731 Y CB -0.550 38.000 38.460 0.150 0.000 0.989 731 Y HN 0.263 nan 8.280 nan 0.000 0.527 732 Y N 1.081 121.398 120.300 0.029 0.000 2.224 732 Y HA -0.228 4.315 4.550 -0.011 0.000 0.289 732 Y C 1.773 177.634 175.900 -0.065 0.000 1.146 732 Y CA 1.658 59.700 58.100 -0.098 0.000 1.182 732 Y CB -0.285 38.175 38.460 -0.001 0.000 0.983 732 Y HN 0.062 nan 8.280 nan 0.000 0.524 733 D N -0.270 120.210 120.400 0.133 0.000 2.183 733 D HA -0.080 4.554 4.640 -0.011 0.000 0.203 733 D C 1.809 178.078 176.300 -0.051 0.000 0.969 733 D CA 1.042 55.065 54.000 0.039 0.000 0.842 733 D CB -0.039 40.806 40.800 0.074 0.000 0.957 733 D HN 0.475 nan 8.370 nan 0.000 0.484 734 R N 0.006 120.476 120.500 -0.051 0.000 2.312 734 R HA 0.246 4.579 4.340 -0.011 0.000 0.205 734 R C 0.453 176.727 176.300 -0.043 0.000 0.904 734 R CA 0.101 56.172 56.100 -0.049 0.000 1.052 734 R CB 0.917 31.187 30.300 -0.049 0.000 1.014 734 R HN 0.160 nan 8.270 nan 0.000 0.503 735 I N 2.458 122.983 120.570 -0.074 0.000 2.464 735 I HA 0.220 4.384 4.170 -0.011 0.000 0.277 735 I C -1.883 174.144 176.117 -0.150 0.000 1.040 735 I CA -2.368 58.896 61.300 -0.060 0.000 1.153 735 I CB 2.082 40.088 38.000 0.009 0.000 1.274 735 I HN -0.293 nan 8.210 nan 0.000 0.469 736 P HA -0.206 nan 4.420 nan 0.000 0.216 736 P C 1.218 178.429 177.300 -0.149 0.000 1.154 736 P CA 1.485 64.497 63.100 -0.147 0.000 0.865 736 P CB 0.283 31.928 31.700 -0.092 0.000 0.789 737 E N -1.170 118.982 120.200 -0.081 0.000 2.110 737 E HA -0.165 4.179 4.350 -0.011 0.000 0.193 737 E C 1.872 178.388 176.600 -0.140 0.000 0.988 737 E CA 0.720 57.090 56.400 -0.049 0.000 0.804 737 E CB -0.582 29.161 29.700 0.072 0.000 0.745 737 E HN 0.129 nan 8.360 nan 0.000 0.458 738 L N 1.413 122.469 121.223 -0.278 0.000 2.027 738 L HA -0.133 4.201 4.340 -0.011 0.000 0.206 738 L C 2.415 179.022 176.870 -0.438 0.000 1.074 738 L CA 1.699 56.200 54.840 -0.566 0.000 0.745 738 L CB -0.434 41.160 42.059 -0.776 0.000 0.898 738 L HN -0.088 nan 8.230 nan 0.000 0.433 739 R N -0.758 119.453 120.500 -0.483 0.000 2.105 739 R HA -0.239 4.094 4.340 -0.011 0.000 0.239 739 R C 2.349 178.481 176.300 -0.281 0.000 1.135 739 R CA 1.911 57.638 56.100 -0.622 0.000 0.967 739 R CB -0.374 29.421 30.300 -0.843 0.000 0.861 739 R HN 0.652 nan 8.270 nan 0.000 0.442 740 Q N 0.466 120.138 119.800 -0.213 0.000 2.124 740 Q HA -0.159 4.174 4.340 -0.011 0.000 0.202 740 Q C 2.055 178.004 176.000 -0.084 0.000 0.977 740 Q CA 1.710 57.434 55.803 -0.132 0.000 0.850 740 Q CB -0.058 28.605 28.738 -0.125 0.000 0.901 740 Q HN 0.494 nan 8.270 nan 0.000 0.429 741 I N 0.196 120.717 120.570 -0.082 0.000 2.163 741 I HA -0.285 3.878 4.170 -0.011 0.000 0.240 741 I C 2.112 178.261 176.117 0.053 0.000 1.081 741 I CA 0.857 62.152 61.300 -0.008 0.000 1.353 741 I CB -0.184 37.788 38.000 -0.046 0.000 1.054 741 I HN 0.226 nan 8.210 nan 0.000 0.407 742 I N 0.758 121.357 120.570 0.048 0.000 2.264 742 I HA -0.282 3.881 4.170 -0.011 0.000 0.248 742 I C 2.377 178.597 176.117 0.171 0.000 1.111 742 I CA 1.621 63.016 61.300 0.158 0.000 1.382 742 I CB -0.395 37.781 38.000 0.294 0.000 1.060 742 I HN 0.217 nan 8.210 nan 0.000 0.418 743 E N -0.378 119.901 120.200 0.132 0.000 2.274 743 E HA -0.213 4.131 4.350 -0.011 0.000 0.194 743 E C 2.080 178.741 176.600 0.102 0.000 0.996 743 E CA 0.597 57.067 56.400 0.117 0.000 0.840 743 E CB -0.116 29.627 29.700 0.072 0.000 0.772 743 E HN 0.604 nan 8.360 nan 0.000 0.491 744 Q N 0.469 120.320 119.800 0.085 0.000 2.123 744 Q HA -0.044 4.290 4.340 -0.011 0.000 0.199 744 Q C 2.256 178.435 176.000 0.299 0.000 0.966 744 Q CA 0.727 56.588 55.803 0.097 0.000 0.845 744 Q CB 0.149 28.884 28.738 -0.004 0.000 0.907 744 Q HN 0.278 nan 8.270 nan 0.000 0.439 745 L N -0.325 121.082 121.223 0.308 0.000 2.056 745 L HA -0.148 4.185 4.340 -0.011 0.000 0.207 745 L C 2.322 179.377 176.870 0.308 0.000 1.078 745 L CA 0.912 55.959 54.840 0.345 0.000 0.749 745 L CB -0.259 41.929 42.059 0.214 0.000 0.901 745 L HN 0.141 nan 8.230 nan 0.000 0.433 746 S N -0.320 115.515 115.700 0.224 0.000 2.383 746 S HA -0.132 4.331 4.470 -0.011 0.000 0.227 746 S C 2.061 176.759 174.600 0.164 0.000 1.026 746 S CA 1.401 59.711 58.200 0.183 0.000 0.981 746 S CB -0.179 63.108 63.200 0.145 0.000 0.818 746 S HN 0.583 nan 8.310 nan 0.000 0.472 747 S N 0.551 116.350 115.700 0.165 0.000 2.561 747 S HA 0.311 4.775 4.470 -0.011 0.000 0.225 747 S C 1.471 176.161 174.600 0.150 0.000 0.977 747 S CA 0.704 58.988 58.200 0.139 0.000 0.926 747 S CB -0.148 63.126 63.200 0.123 0.000 0.769 747 S HN 0.803 nan 8.310 nan 0.000 0.533 748 G N 0.619 109.539 108.800 0.201 0.000 2.141 748 G HA2 -0.298 3.656 3.960 -0.011 0.000 0.231 748 G HA3 -0.298 3.656 3.960 -0.011 0.000 0.231 748 G C 0.225 175.220 174.900 0.159 0.000 0.984 748 G CA 0.123 45.331 45.100 0.179 0.000 0.660 748 G HN 0.564 nan 8.290 nan 0.000 0.525 749 F N 0.233 120.190 119.950 0.012 0.000 2.250 749 F HA 0.182 4.702 4.527 -0.011 0.000 0.301 749 F C 1.772 177.384 175.800 -0.313 0.000 1.077 749 F CA 1.923 59.816 58.000 -0.179 0.000 1.348 749 F CB -0.041 38.781 39.000 -0.298 0.000 1.040 749 F HN 0.169 nan 8.300 nan 0.000 0.509 750 F N -0.353 119.711 119.950 0.191 0.000 2.695 750 F HA 0.220 4.740 4.527 -0.011 0.000 0.303 750 F C 0.561 176.455 175.800 0.158 0.000 1.091 750 F CA 0.167 58.235 58.000 0.113 0.000 1.300 750 F CB -0.006 39.094 39.000 0.166 0.000 1.071 750 F HN -0.037 nan 8.300 nan 0.000 0.578 751 S N -1.745 114.095 115.700 0.233 0.000 2.564 751 S HA 0.314 4.777 4.470 -0.011 0.000 0.141 751 S C -2.494 172.126 174.600 0.034 0.000 1.474 751 S CA -1.043 57.226 58.200 0.115 0.000 1.236 751 S CB 1.011 64.233 63.200 0.036 0.000 1.481 751 S HN -0.193 nan 8.310 nan 0.000 0.397 752 P HA -0.120 nan 4.420 nan 0.000 0.214 752 P C 1.203 178.497 177.300 -0.011 0.000 1.163 752 P CA 1.449 64.532 63.100 -0.029 0.000 0.889 752 P CB 0.082 31.744 31.700 -0.064 0.000 0.790 753 K N -1.082 119.312 120.400 -0.011 0.000 2.211 753 K HA -0.089 4.225 4.320 -0.011 0.000 0.203 753 K C 0.644 177.242 176.600 -0.002 0.000 1.050 753 K CA 1.022 57.306 56.287 -0.005 0.000 0.945 753 K CB -0.180 32.319 32.500 -0.002 0.000 0.732 753 K HN 0.324 nan 8.250 nan 0.000 0.451 754 Q N -0.546 119.250 119.800 -0.008 0.000 3.064 754 Q HA 0.153 4.487 4.340 -0.011 0.000 0.258 754 Q C -2.328 173.661 176.000 -0.017 0.000 0.972 754 Q CA -1.573 54.220 55.803 -0.016 0.000 0.761 754 Q CB 1.551 30.271 28.738 -0.030 0.000 1.281 754 Q HN -0.094 nan 8.270 nan 0.000 0.455 755 P HA -0.245 nan 4.420 nan 0.000 0.217 755 P C 0.608 177.943 177.300 0.058 0.000 1.148 755 P CA 1.522 64.649 63.100 0.046 0.000 0.834 755 P CB 0.212 31.940 31.700 0.046 0.000 0.783 756 D N -1.325 119.092 120.400 0.030 0.000 2.388 756 D HA -0.003 4.631 4.640 -0.011 0.000 0.221 756 D C 1.571 177.870 176.300 -0.001 0.000 1.133 756 D CA -0.271 53.754 54.000 0.042 0.000 0.831 756 D CB -0.523 40.304 40.800 0.044 0.000 0.962 756 D HN 0.026 nan 8.370 nan 0.000 0.502 757 L N 0.020 121.177 121.223 -0.111 0.000 2.043 757 L HA -0.072 4.262 4.340 -0.011 0.000 0.212 757 L C 1.186 177.855 176.870 -0.335 0.000 1.075 757 L CA 1.710 56.371 54.840 -0.298 0.000 0.752 757 L CB -0.622 41.072 42.059 -0.608 0.000 0.891 757 L HN -0.009 nan 8.230 nan 0.000 0.432 758 F N -0.580 119.431 119.950 0.102 0.000 2.660 758 F HA 0.128 4.649 4.527 -0.010 0.000 0.297 758 F C 1.848 177.703 175.800 0.092 0.000 1.132 758 F CA -0.121 57.929 58.000 0.084 0.000 1.372 758 F CB -0.303 38.737 39.000 0.066 0.000 1.003 758 F HN 0.117 nan 8.300 nan 0.000 0.524 759 K N -0.433 120.090 120.400 0.204 0.000 2.152 759 K HA -0.189 4.124 4.320 -0.011 0.000 0.206 759 K C 0.999 177.704 176.600 0.174 0.000 1.048 759 K CA 1.961 58.350 56.287 0.169 0.000 0.933 759 K CB -0.241 32.334 32.500 0.124 0.000 0.721 759 K HN 0.054 nan 8.250 nan 0.000 0.447 760 D N 1.222 121.739 120.400 0.194 0.000 2.117 760 D HA -0.085 4.549 4.640 -0.011 0.000 0.197 760 D C 1.992 178.404 176.300 0.187 0.000 0.987 760 D CA 1.158 55.282 54.000 0.207 0.000 0.829 760 D CB -0.132 40.823 40.800 0.259 0.000 0.961 760 D HN 0.288 nan 8.370 nan 0.000 0.460 761 I N 0.237 120.917 120.570 0.183 0.000 2.202 761 I HA -0.214 3.950 4.170 -0.011 0.000 0.242 761 I C 2.400 178.568 176.117 0.085 0.000 1.091 761 I CA 0.555 61.929 61.300 0.123 0.000 1.368 761 I CB -0.149 37.912 38.000 0.101 0.000 1.058 761 I HN -0.116 nan 8.210 nan 0.000 0.410 762 V N 0.950 120.929 119.914 0.110 0.000 2.343 762 V HA -0.317 3.797 4.120 -0.011 0.000 0.247 762 V C 2.142 178.235 176.094 -0.001 0.000 1.051 762 V CA 2.427 64.771 62.300 0.073 0.000 1.036 762 V CB -0.970 30.921 31.823 0.112 0.000 0.654 762 V HN 0.477 nan 8.190 nan 0.000 0.451 763 N N -0.495 118.239 118.700 0.056 0.000 2.084 763 N HA -0.214 4.520 4.740 -0.011 0.000 0.190 763 N C 1.924 177.386 175.510 -0.081 0.000 1.030 763 N CA 1.671 54.757 53.050 0.061 0.000 0.849 763 N CB -0.183 38.420 38.487 0.193 0.000 1.012 763 N HN 0.326 nan 8.380 nan 0.000 0.423 764 M N 0.046 119.665 119.600 0.031 0.000 2.086 764 M HA -0.123 4.350 4.480 -0.011 0.000 0.261 764 M C 1.490 177.706 176.300 -0.139 0.000 1.067 764 M CA 1.326 56.657 55.300 0.052 0.000 1.116 764 M CB -0.561 32.141 32.600 0.169 0.000 1.348 764 M HN 0.222 nan 8.290 nan 0.000 0.407 765 L N 0.839 121.957 121.223 -0.175 0.000 2.042 765 L HA -0.233 4.101 4.340 -0.011 0.000 0.210 765 L C 2.450 178.979 176.870 -0.567 0.000 1.076 765 L CA 1.739 56.349 54.840 -0.383 0.000 0.749 765 L CB -1.146 40.721 42.059 -0.320 0.000 0.893 765 L HN 0.371 nan 8.230 nan 0.000 0.432 766 M N -1.990 117.312 119.600 -0.496 0.000 2.334 766 M HA -0.058 4.416 4.480 -0.011 0.000 0.266 766 M C 1.874 177.710 176.300 -0.773 0.000 1.082 766 M CA 1.331 56.244 55.300 -0.645 0.000 1.141 766 M CB -0.793 31.318 32.600 -0.815 0.000 1.380 766 M HN 0.341 nan 8.290 nan 0.000 0.440 767 H N -1.807 117.032 119.070 -0.384 0.000 2.927 767 H HA 0.214 4.764 4.556 -0.011 0.000 0.255 767 H C 0.082 175.161 175.328 -0.415 0.000 0.974 767 H CA 0.561 56.338 56.048 -0.452 0.000 1.199 767 H CB 0.244 29.672 29.762 -0.556 0.000 1.447 767 H HN 0.542 nan 8.280 nan 0.000 0.467 768 H N -0.205 118.915 119.070 0.084 0.000 2.616 768 H HA 0.222 4.772 4.556 -0.011 0.000 0.229 768 H C -0.952 174.389 175.328 0.022 0.000 1.418 768 H CA -0.504 55.582 56.048 0.062 0.000 1.248 768 H CB 0.493 30.296 29.762 0.068 0.000 1.822 768 H HN -0.069 nan 8.280 nan 0.000 0.522 769 D N 1.495 121.934 120.400 0.065 0.000 2.441 769 D HA 0.109 4.742 4.640 -0.011 0.000 0.221 769 D C 0.913 177.151 176.300 -0.103 0.000 1.156 769 D CA -0.391 53.615 54.000 0.009 0.000 0.896 769 D CB 0.592 41.381 40.800 -0.017 0.000 1.028 769 D HN 0.416 nan 8.370 nan 0.000 0.509 770 R N 2.176 122.512 120.500 -0.273 0.000 2.237 770 R HA -0.057 4.277 4.340 -0.011 0.000 0.219 770 R C 0.619 176.425 176.300 -0.824 0.000 1.080 770 R CA 0.872 56.612 56.100 -0.599 0.000 0.995 770 R CB 0.069 29.820 30.300 -0.915 0.000 0.875 770 R HN 0.380 nan 8.270 nan 0.000 0.462 771 F N 0.709 120.616 119.950 -0.071 0.000 2.639 771 F HA 0.256 4.776 4.527 -0.011 0.000 0.302 771 F C 0.026 175.694 175.800 -0.220 0.000 1.097 771 F CA -0.762 57.177 58.000 -0.103 0.000 1.294 771 F CB 0.072 39.067 39.000 -0.008 0.000 1.027 771 F HN -0.231 nan 8.300 nan 0.000 0.550 772 K N -0.448 119.741 120.400 -0.352 0.000 3.490 772 K HA -0.189 4.125 4.320 -0.011 0.000 0.273 772 K C 0.984 177.458 176.600 -0.209 0.000 0.916 772 K CA 0.202 56.093 56.287 -0.660 0.000 0.718 772 K CB -1.903 30.084 32.500 -0.854 0.000 1.477 772 K HN 0.225 nan 8.250 nan 0.000 0.452 773 V N 0.156 120.034 119.914 -0.061 0.000 2.287 773 V HA -0.286 3.827 4.120 -0.011 0.000 0.248 773 V C 2.010 178.239 176.094 0.226 0.000 1.053 773 V CA 2.277 64.619 62.300 0.071 0.000 1.027 773 V CB -0.514 31.353 31.823 0.072 0.000 0.646 773 V HN 0.532 nan 8.190 nan 0.000 0.447 774 F N 0.264 120.219 119.950 0.008 0.000 2.161 774 F HA -0.231 4.290 4.527 -0.011 0.000 0.300 774 F C 2.535 178.129 175.800 -0.343 0.000 1.089 774 F CA 0.727 58.676 58.000 -0.085 0.000 1.282 774 F CB -0.407 38.554 39.000 -0.065 0.000 1.010 774 F HN 0.207 nan 8.300 nan 0.000 0.485 775 A N -0.529 122.128 122.820 -0.270 0.000 2.024 775 A HA -0.209 4.105 4.320 -0.011 0.000 0.220 775 A C 1.477 179.060 177.584 -0.002 0.000 1.164 775 A CA 1.985 53.789 52.037 -0.388 0.000 0.643 775 A CB -0.466 18.452 19.000 -0.136 0.000 0.806 775 A HN 0.253 nan 8.150 nan 0.000 0.451 776 D N -2.974 117.484 120.400 0.096 0.000 2.369 776 D HA 0.091 4.724 4.640 -0.011 0.000 0.211 776 D C 1.180 177.651 176.300 0.285 0.000 1.077 776 D CA -0.053 54.076 54.000 0.215 0.000 0.842 776 D CB -0.139 40.792 40.800 0.218 0.000 0.947 776 D HN 0.582 nan 8.370 nan 0.000 0.509 777 Y N 2.207 122.594 120.300 0.145 0.000 2.053 777 Y HA -0.259 4.285 4.550 -0.010 0.000 0.277 777 Y C 2.120 178.109 175.900 0.148 0.000 1.159 777 Y CA 1.970 60.165 58.100 0.159 0.000 1.125 777 Y CB 0.150 38.670 38.460 0.100 0.000 0.969 777 Y HN -0.108 nan 8.280 nan 0.000 0.492 778 E N -0.040 120.217 120.200 0.095 0.000 2.049 778 E HA -0.278 4.065 4.350 -0.011 0.000 0.198 778 E C 2.211 178.775 176.600 -0.061 0.000 1.007 778 E CA 1.715 58.095 56.400 -0.033 0.000 0.809 778 E CB -0.233 29.556 29.700 0.149 0.000 0.749 778 E HN 0.637 nan 8.360 nan 0.000 0.450 779 E N -0.365 119.881 120.200 0.076 0.000 2.153 779 E HA -0.194 4.150 4.350 -0.011 0.000 0.194 779 E C 1.900 178.490 176.600 -0.015 0.000 0.988 779 E CA 0.654 57.122 56.400 0.113 0.000 0.811 779 E CB -0.080 29.784 29.700 0.273 0.000 0.746 779 E HN 0.257 nan 8.360 nan 0.000 0.466 780 Y N 0.959 121.063 120.300 -0.328 0.000 2.133 780 Y HA -0.208 4.335 4.550 -0.011 0.000 0.287 780 Y C 2.100 177.606 175.900 -0.656 0.000 1.134 780 Y CA 1.009 58.577 58.100 -0.888 0.000 1.133 780 Y CB -0.539 37.494 38.460 -0.712 0.000 0.987 780 Y HN -0.203 nan 8.280 nan 0.000 0.502 781 V N 0.945 120.511 119.914 -0.581 0.000 2.287 781 V HA -0.337 3.777 4.120 -0.011 0.000 0.248 781 V C 2.353 178.223 176.094 -0.374 0.000 1.053 781 V CA 2.385 64.370 62.300 -0.526 0.000 1.027 781 V CB -0.624 30.912 31.823 -0.478 0.000 0.646 781 V HN 0.335 nan 8.190 nan 0.000 0.447 782 K N -0.921 119.320 120.400 -0.266 0.000 2.026 782 K HA -0.231 4.082 4.320 -0.011 0.000 0.208 782 K C 2.311 178.813 176.600 -0.163 0.000 1.048 782 K CA 1.789 57.983 56.287 -0.155 0.000 0.929 782 K CB -0.659 31.798 32.500 -0.073 0.000 0.713 782 K HN 0.528 nan 8.250 nan 0.000 0.439 783 C N 1.620 120.796 119.300 -0.207 0.000 2.413 783 C HA -0.116 4.338 4.460 -0.011 0.000 0.276 783 C C 2.687 177.489 174.990 -0.313 0.000 1.248 783 C CA 0.907 59.825 59.018 -0.165 0.000 1.742 783 C CB -0.704 26.942 27.740 -0.158 0.000 2.017 783 C HN 0.429 nan 8.230 nan 0.000 0.481 784 Q N 0.256 119.737 119.800 -0.532 0.000 2.170 784 Q HA -0.176 4.158 4.340 -0.011 0.000 0.203 784 Q C 1.974 177.780 176.000 -0.323 0.000 0.976 784 Q CA 1.571 57.023 55.803 -0.585 0.000 0.858 784 Q CB -0.376 27.797 28.738 -0.941 0.000 0.907 784 Q HN 0.756 nan 8.270 nan 0.000 0.433 785 E N 0.162 120.231 120.200 -0.220 0.000 2.106 785 E HA -0.131 4.212 4.350 -0.011 0.000 0.192 785 E C 2.054 178.614 176.600 -0.068 0.000 0.984 785 E CA 0.605 56.937 56.400 -0.113 0.000 0.806 785 E CB 0.076 29.728 29.700 -0.080 0.000 0.750 785 E HN 0.260 nan 8.360 nan 0.000 0.458 786 R N 0.241 120.707 120.500 -0.056 0.000 2.115 786 R HA -0.069 4.265 4.340 -0.011 0.000 0.230 786 R C 2.356 178.677 176.300 0.036 0.000 1.111 786 R CA 0.865 57.002 56.100 0.062 0.000 0.976 786 R CB -0.303 30.108 30.300 0.184 0.000 0.870 786 R HN 0.084 nan 8.270 nan 0.000 0.445 787 V N 0.634 120.369 119.914 -0.299 0.000 2.358 787 V HA -0.208 3.905 4.120 -0.011 0.000 0.246 787 V C 2.228 178.328 176.094 0.011 0.000 1.047 787 V CA 1.814 63.833 62.300 -0.469 0.000 1.035 787 V CB -0.321 31.069 31.823 -0.722 0.000 0.658 787 V HN 0.265 nan 8.190 nan 0.000 0.452 788 S N -0.162 115.502 115.700 -0.059 0.000 2.399 788 S HA -0.147 4.316 4.470 -0.011 0.000 0.231 788 S C 2.166 176.829 174.600 0.106 0.000 1.022 788 S CA 1.366 59.564 58.200 -0.005 0.000 0.983 788 S CB -0.355 62.813 63.200 -0.054 0.000 0.803 788 S HN 0.648 nan 8.310 nan 0.000 0.480 789 A N 1.112 124.000 122.820 0.114 0.000 1.898 789 A HA 0.068 4.382 4.320 -0.011 0.000 0.216 789 A C 2.075 179.782 177.584 0.206 0.000 1.181 789 A CA 0.896 53.018 52.037 0.142 0.000 0.620 789 A CB -0.635 18.436 19.000 0.118 0.000 0.819 789 A HN 0.465 nan 8.150 nan 0.000 0.442 790 L N -1.880 119.532 121.223 0.315 0.000 2.093 790 L HA -0.163 4.170 4.340 -0.011 0.000 0.208 790 L C 2.473 179.651 176.870 0.513 0.000 1.085 790 L CA 1.822 56.926 54.840 0.440 0.000 0.755 790 L CB -0.451 41.971 42.059 0.603 0.000 0.904 790 L HN 0.589 nan 8.230 nan 0.000 0.435 791 Y N 0.965 121.433 120.300 0.281 0.000 2.333 791 Y HA -0.287 4.258 4.550 -0.009 0.000 0.290 791 Y C 2.451 178.278 175.900 -0.121 0.000 1.144 791 Y CA 1.659 59.609 58.100 -0.249 0.000 1.228 791 Y CB -0.079 37.998 38.460 -0.639 0.000 0.985 791 Y HN 0.055 nan 8.280 nan 0.000 0.542 792 K N -0.001 120.431 120.400 0.054 0.000 2.442 792 K HA -0.124 4.189 4.320 -0.011 0.000 0.198 792 K C 0.320 176.901 176.600 -0.032 0.000 1.042 792 K CA 0.694 56.994 56.287 0.022 0.000 0.958 792 K CB -0.089 32.471 32.500 0.100 0.000 0.766 792 K HN 0.057 nan 8.250 nan 0.000 0.474 793 N N 0.243 118.943 118.700 0.000 0.000 2.976 793 N HA 0.135 4.869 4.740 -0.011 0.000 0.255 793 N C -2.450 173.067 175.510 0.011 0.000 1.312 793 N CA -2.131 50.928 53.050 0.014 0.000 0.897 793 N CB 1.106 39.636 38.487 0.071 0.000 1.184 793 N HN -0.183 nan 8.380 nan 0.000 0.497 794 P HA -0.228 nan 4.420 nan 0.000 0.219 794 P C 1.427 178.744 177.300 0.028 0.000 1.158 794 P CA 1.348 64.383 63.100 -0.108 0.000 0.895 794 P CB 0.364 31.973 31.700 -0.153 0.000 0.792 795 R N -0.403 120.111 120.500 0.023 0.000 2.073 795 R HA -0.162 4.171 4.340 -0.011 0.000 0.234 795 R C 2.067 178.412 176.300 0.074 0.000 1.134 795 R CA 1.421 57.546 56.100 0.042 0.000 0.952 795 R CB -0.337 29.979 30.300 0.026 0.000 0.850 795 R HN 0.128 nan 8.270 nan 0.000 0.433 796 E N -0.271 119.983 120.200 0.090 0.000 2.152 796 E HA -0.206 4.137 4.350 -0.011 0.000 0.192 796 E C 1.549 178.227 176.600 0.130 0.000 0.983 796 E CA 0.574 57.030 56.400 0.093 0.000 0.818 796 E CB -0.395 29.358 29.700 0.089 0.000 0.758 796 E HN 0.499 nan 8.360 nan 0.000 0.467 797 W N 2.141 123.443 121.300 0.003 0.000 2.354 797 W HA -0.183 4.469 4.660 -0.012 0.000 0.315 797 W C 1.606 178.138 176.519 0.022 0.000 1.206 797 W CA 2.140 59.504 57.345 0.031 0.000 1.290 797 W CB -0.472 28.981 29.460 -0.012 0.000 1.152 797 W HN 0.031 nan 8.180 nan 0.000 0.489 798 T N 1.341 116.047 114.554 0.254 0.000 2.833 798 T HA -0.186 4.158 4.350 -0.011 0.000 0.269 798 T C 1.821 176.544 174.700 0.039 0.000 1.054 798 T CA 1.737 63.917 62.100 0.134 0.000 1.135 798 T CB -0.305 68.622 68.868 0.098 0.000 0.869 798 T HN 0.202 nan 8.240 nan 0.000 0.466 799 R N 0.327 120.851 120.500 0.039 0.000 2.115 799 R HA 0.149 4.483 4.340 -0.011 0.000 0.230 799 R C 2.476 178.772 176.300 -0.007 0.000 1.111 799 R CA 1.009 57.128 56.100 0.033 0.000 0.976 799 R CB -0.320 30.003 30.300 0.038 0.000 0.870 799 R HN 0.372 nan 8.270 nan 0.000 0.445 800 M N 0.509 120.067 119.600 -0.071 0.000 2.200 800 M HA -0.121 4.353 4.480 -0.011 0.000 0.265 800 M C 1.959 178.180 176.300 -0.132 0.000 1.066 800 M CA 1.309 56.531 55.300 -0.130 0.000 1.127 800 M CB 0.179 32.638 32.600 -0.237 0.000 1.379 800 M HN -0.040 nan 8.290 nan 0.000 0.420 801 V N 0.946 120.764 119.914 -0.160 0.000 2.287 801 V HA -0.322 3.791 4.120 -0.011 0.000 0.248 801 V C 2.218 178.303 176.094 -0.014 0.000 1.053 801 V CA 2.090 64.328 62.300 -0.104 0.000 1.027 801 V CB -0.603 31.186 31.823 -0.056 0.000 0.646 801 V HN 0.513 nan 8.190 nan 0.000 0.447 802 I N -0.493 120.090 120.570 0.022 0.000 2.264 802 I HA -0.272 3.891 4.170 -0.011 0.000 0.248 802 I C 2.588 178.760 176.117 0.091 0.000 1.111 802 I CA 1.600 62.959 61.300 0.098 0.000 1.382 802 I CB -0.353 37.753 38.000 0.176 0.000 1.060 802 I HN 0.239 nan 8.210 nan 0.000 0.418 803 R N 0.166 120.696 120.500 0.050 0.000 2.235 803 R HA -0.031 4.302 4.340 -0.011 0.000 0.213 803 R C 1.901 178.235 176.300 0.057 0.000 1.059 803 R CA 0.692 56.819 56.100 0.045 0.000 0.997 803 R CB -0.276 30.035 30.300 0.018 0.000 0.884 803 R HN 0.503 nan 8.270 nan 0.000 0.462 804 N N 0.633 119.364 118.700 0.050 0.000 2.258 804 N HA 0.004 4.738 4.740 -0.011 0.000 0.183 804 N C 1.868 177.438 175.510 0.100 0.000 1.029 804 N CA 0.833 53.934 53.050 0.085 0.000 0.857 804 N CB 0.110 38.621 38.487 0.040 0.000 1.008 804 N HN 0.061 nan 8.380 nan 0.000 0.433 805 I N 1.804 122.421 120.570 0.079 0.000 2.194 805 I HA -0.264 3.899 4.170 -0.011 0.000 0.246 805 I C 2.401 178.568 176.117 0.083 0.000 1.093 805 I CA 1.051 62.401 61.300 0.083 0.000 1.355 805 I CB -0.305 37.738 38.000 0.072 0.000 1.046 805 I HN 0.109 nan 8.210 nan 0.000 0.413 806 A N 0.185 123.054 122.820 0.082 0.000 2.067 806 A HA -0.155 4.159 4.320 -0.011 0.000 0.219 806 A C 2.053 179.675 177.584 0.062 0.000 1.158 806 A CA 1.998 54.074 52.037 0.065 0.000 0.661 806 A CB -0.811 18.230 19.000 0.069 0.000 0.801 806 A HN 0.548 nan 8.150 nan 0.000 0.452 807 T N -3.062 111.544 114.554 0.087 0.000 3.129 807 T HA 0.170 4.514 4.350 -0.011 0.000 0.267 807 T C 1.205 175.996 174.700 0.153 0.000 1.018 807 T CA 0.632 62.788 62.100 0.092 0.000 0.903 807 T CB -0.163 68.759 68.868 0.090 0.000 1.067 807 T HN 0.475 nan 8.240 nan 0.000 0.549 808 S N 0.364 116.173 115.700 0.181 0.000 2.562 808 S HA 0.221 4.685 4.470 -0.011 0.000 0.221 808 S C 2.262 176.988 174.600 0.209 0.000 0.975 808 S CA 0.338 58.722 58.200 0.307 0.000 0.918 808 S CB -0.754 62.598 63.200 0.253 0.000 0.772 808 S HN 0.530 nan 8.310 nan 0.000 0.531 809 G N 2.771 111.621 108.800 0.083 0.000 2.503 809 G HA2 -0.328 3.625 3.960 -0.011 0.000 0.221 809 G HA3 -0.328 3.625 3.960 -0.011 0.000 0.221 809 G C 1.333 176.186 174.900 -0.078 0.000 1.131 809 G CA 1.141 46.255 45.100 0.024 0.000 0.756 809 G HN 0.599 nan 8.290 nan 0.000 0.572 810 K N -0.098 120.142 120.400 -0.266 0.000 2.280 810 K HA 0.000 4.314 4.320 -0.011 0.000 0.202 810 K C 1.094 177.337 176.600 -0.596 0.000 1.047 810 K CA 0.511 56.501 56.287 -0.495 0.000 0.942 810 K CB -0.238 31.821 32.500 -0.735 0.000 0.739 810 K HN 0.419 nan 8.250 nan 0.000 0.457 811 F N 1.020 121.000 119.950 0.050 0.000 2.663 811 F HA 0.118 4.638 4.527 -0.011 0.000 0.299 811 F C 0.799 176.645 175.800 0.078 0.000 1.143 811 F CA -0.554 57.482 58.000 0.061 0.000 1.387 811 F CB 0.414 39.447 39.000 0.054 0.000 1.019 811 F HN -0.120 nan 8.300 nan 0.000 0.523 812 S N 0.134 115.911 115.700 0.129 0.000 2.545 812 S HA 0.112 4.575 4.470 -0.011 0.000 0.275 812 S C 1.392 176.072 174.600 0.135 0.000 1.299 812 S CA -0.288 57.992 58.200 0.132 0.000 1.048 812 S CB 0.972 64.222 63.200 0.084 0.000 0.938 812 S HN 0.315 nan 8.310 nan 0.000 0.496 813 S N 3.129 118.935 115.700 0.177 0.000 2.507 813 S HA -0.074 4.390 4.470 -0.011 0.000 0.235 813 S C 0.896 175.547 174.600 0.085 0.000 0.988 813 S CA 0.701 59.025 58.200 0.206 0.000 0.944 813 S CB -0.367 63.030 63.200 0.328 0.000 0.762 813 S HN 0.788 nan 8.310 nan 0.000 0.526 814 D N 1.745 122.182 120.400 0.061 0.000 2.144 814 D HA -0.051 4.583 4.640 -0.011 0.000 0.200 814 D C 2.085 178.388 176.300 0.004 0.000 0.978 814 D CA 0.671 54.685 54.000 0.023 0.000 0.833 814 D CB -0.281 40.533 40.800 0.023 0.000 0.961 814 D HN 0.297 nan 8.370 nan 0.000 0.470 815 R N 0.730 121.235 120.500 0.009 0.000 2.066 815 R HA -0.073 4.261 4.340 -0.011 0.000 0.232 815 R C 1.836 178.126 176.300 -0.017 0.000 1.131 815 R CA 1.344 57.435 56.100 -0.015 0.000 0.955 815 R CB -0.691 29.588 30.300 -0.036 0.000 0.851 815 R HN 0.106 nan 8.270 nan 0.000 0.432 816 T N 2.336 116.902 114.554 0.020 0.000 2.652 816 T HA -0.130 4.214 4.350 -0.011 0.000 0.267 816 T C 1.952 176.650 174.700 -0.003 0.000 1.039 816 T CA 1.391 63.520 62.100 0.049 0.000 1.153 816 T CB -0.147 68.826 68.868 0.175 0.000 0.863 816 T HN 0.103 nan 8.240 nan 0.000 0.428 817 I N 1.757 122.244 120.570 -0.139 0.000 2.226 817 I HA -0.119 4.045 4.170 -0.011 0.000 0.245 817 I C 2.936 179.004 176.117 -0.083 0.000 1.100 817 I CA 1.092 62.272 61.300 -0.200 0.000 1.374 817 I CB -1.612 36.274 38.000 -0.189 0.000 1.057 817 I HN 0.209 nan 8.210 nan 0.000 0.413 818 A N -0.016 122.776 122.820 -0.047 0.000 1.972 818 A HA -0.231 4.083 4.320 -0.011 0.000 0.219 818 A C 2.249 179.792 177.584 -0.070 0.000 1.169 818 A CA 1.393 53.411 52.037 -0.032 0.000 0.635 818 A CB -0.506 18.482 19.000 -0.021 0.000 0.810 818 A HN 0.520 nan 8.150 nan 0.000 0.446 819 Q N -1.956 117.784 119.800 -0.100 0.000 2.083 819 Q HA -0.133 4.201 4.340 -0.011 0.000 0.198 819 Q C 1.895 177.731 176.000 -0.274 0.000 0.969 819 Q CA 1.476 57.182 55.803 -0.162 0.000 0.838 819 Q CB -0.256 28.376 28.738 -0.177 0.000 0.900 819 Q HN 0.824 nan 8.270 nan 0.000 0.436 820 Y N 0.592 120.602 120.300 -0.483 0.000 2.128 820 Y HA -0.284 4.259 4.550 -0.011 0.000 0.284 820 Y C 2.455 177.777 175.900 -0.964 0.000 1.154 820 Y CA 1.272 58.840 58.100 -0.887 0.000 1.149 820 Y CB -0.401 37.234 38.460 -1.374 0.000 0.976 820 Y HN 0.160 nan 8.280 nan 0.000 0.505 821 A N 0.404 122.976 122.820 -0.413 0.000 1.865 821 A HA -0.242 4.072 4.320 -0.011 0.000 0.217 821 A C 2.251 179.840 177.584 0.008 0.000 1.191 821 A CA 2.149 54.195 52.037 0.015 0.000 0.623 821 A CB -0.607 18.480 19.000 0.144 0.000 0.826 821 A HN 0.425 nan 8.150 nan 0.000 0.444 822 R N -0.713 119.758 120.500 -0.048 0.000 2.093 822 R HA -0.039 4.295 4.340 -0.011 0.000 0.224 822 R C 1.708 177.981 176.300 -0.045 0.000 1.101 822 R CA 1.476 57.559 56.100 -0.027 0.000 0.979 822 R CB -0.183 30.098 30.300 -0.032 0.000 0.877 822 R HN 0.665 nan 8.270 nan 0.000 0.441 823 E N -0.503 119.631 120.200 -0.110 0.000 2.452 823 E HA 0.117 4.461 4.350 -0.011 0.000 0.197 823 E C 1.334 177.882 176.600 -0.086 0.000 1.022 823 E CA 0.320 56.661 56.400 -0.098 0.000 0.890 823 E CB 0.587 30.206 29.700 -0.135 0.000 0.918 823 E HN 0.303 nan 8.360 nan 0.000 0.496 824 I N -1.352 119.133 120.570 -0.141 0.000 4.046 824 I HA 0.038 4.202 4.170 -0.011 0.000 0.285 824 I C 1.210 177.454 176.117 0.212 0.000 1.183 824 I CA -0.070 61.202 61.300 -0.048 0.000 1.337 824 I CB 0.247 38.076 38.000 -0.285 0.000 1.478 824 I HN 0.117 nan 8.210 nan 0.000 0.452 825 W N 1.640 123.031 121.300 0.153 0.000 2.737 825 W HA 0.339 4.992 4.660 -0.011 0.000 0.262 825 W C 1.510 178.065 176.519 0.060 0.000 1.282 825 W CA 0.818 58.234 57.345 0.119 0.000 1.386 825 W CB -0.987 28.529 29.460 0.094 0.000 1.099 825 W HN 0.312 nan 8.180 nan 0.000 0.621 826 G N 1.148 110.087 108.800 0.232 0.000 2.256 826 G HA2 -0.098 3.855 3.960 -0.011 0.000 0.272 826 G HA3 -0.098 3.855 3.960 -0.011 0.000 0.272 826 G C -0.331 174.640 174.900 0.118 0.000 1.076 826 G CA 0.214 45.392 45.100 0.131 0.000 0.882 826 G HN 0.422 nan 8.290 nan 0.000 0.497 827 V N -4.401 115.602 119.914 0.147 0.000 2.962 827 V HA 0.920 5.034 4.120 -0.011 0.000 0.313 827 V C -0.447 175.703 176.094 0.094 0.000 1.099 827 V CA -1.671 60.695 62.300 0.110 0.000 0.971 827 V CB 2.361 34.256 31.823 0.120 0.000 1.028 827 V HN 0.119 nan 8.190 nan 0.000 0.430 828 E N 3.617 123.855 120.200 0.064 0.000 2.134 828 E HA 0.539 4.882 4.350 -0.011 0.000 0.278 828 E C -2.510 174.124 176.600 0.056 0.000 0.959 828 E CA -1.763 54.668 56.400 0.052 0.000 0.783 828 E CB 1.861 31.584 29.700 0.038 0.000 1.095 828 E HN 0.760 nan 8.360 nan 0.000 0.399 829 P HA 0.103 nan 4.420 nan 0.000 0.272 829 P C -0.561 176.767 177.300 0.047 0.000 1.230 829 P CA -0.343 62.789 63.100 0.054 0.000 0.788 829 P CB 0.843 32.571 31.700 0.047 0.000 0.949 830 S N 0.815 116.545 115.700 0.050 0.000 2.572 830 S HA 0.341 4.804 4.470 -0.011 0.000 0.274 830 S C 0.097 174.723 174.600 0.043 0.000 1.150 830 S CA -0.862 57.366 58.200 0.047 0.000 0.944 830 S CB 1.215 64.450 63.200 0.058 0.000 1.071 830 S HN 0.288 nan 8.310 nan 0.000 0.479 831 R N 2.508 123.029 120.500 0.035 0.000 2.568 831 R HA 0.207 4.540 4.340 -0.011 0.000 0.288 831 R C -0.134 176.178 176.300 0.021 0.000 1.077 831 R CA -0.053 56.066 56.100 0.032 0.000 1.102 831 R CB 0.119 30.438 30.300 0.032 0.000 1.278 831 R HN 0.677 nan 8.270 nan 0.000 0.560 832 Q N 1.018 120.831 119.800 0.021 0.000 2.288 832 Q HA 0.163 4.496 4.340 -0.011 0.000 0.258 832 Q C -0.323 175.670 176.000 -0.012 0.000 0.957 832 Q CA -0.223 55.584 55.803 0.008 0.000 0.919 832 Q CB 1.228 29.976 28.738 0.017 0.000 1.185 832 Q HN -0.099 nan 8.270 nan 0.000 0.408 833 R N 1.671 122.155 120.500 -0.026 0.000 2.570 833 R HA 0.055 4.388 4.340 -0.011 0.000 0.277 833 R C -0.607 175.653 176.300 -0.066 0.000 1.039 833 R CA -0.113 55.959 56.100 -0.048 0.000 1.065 833 R CB 0.231 30.502 30.300 -0.050 0.000 0.964 833 R HN 0.403 nan 8.270 nan 0.000 0.428 834 L N 6.310 127.478 121.223 -0.091 0.000 2.395 834 L HA 0.282 4.616 4.340 -0.011 0.000 0.269 834 L C -1.735 175.069 176.870 -0.109 0.000 1.133 834 L CA -2.091 52.663 54.840 -0.144 0.000 0.812 834 L CB 0.844 42.797 42.059 -0.177 0.000 1.125 834 L HN 0.615 nan 8.230 nan 0.000 0.452 835 P HA -0.008 nan 4.420 nan 0.000 0.208 835 P C 0.063 177.331 177.300 -0.052 0.000 1.341 835 P CA 0.620 63.679 63.100 -0.070 0.000 1.235 835 P CB -0.678 30.984 31.700 -0.063 0.000 1.764 836 A N 3.371 126.163 122.820 -0.047 0.000 6.121 836 A HA -0.163 4.151 4.320 -0.011 0.000 0.424 836 A C -2.168 175.401 177.584 -0.025 0.000 2.043 836 A CA 0.060 52.078 52.037 -0.032 0.000 1.677 836 A CB -2.360 16.628 19.000 -0.020 0.000 1.203 836 A HN 0.406 nan 8.150 nan 0.000 0.561 837 P HA 0.000 nan 4.420 nan 0.000 0.216 837 P CA 0.000 63.104 63.100 0.007 0.000 0.800 837 P CB 0.000 31.717 31.700 0.029 0.000 0.726