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 2amv_1_A DATA FIRST_RESID 13 DATA SEQUENCE ISVRGLAGVE NVTELKKNFN RHLHFTLVKD RNVATPRDYY FALAHTVRDH DATA SEQUENCE LVGRWIRTQQ HYYEKDPKRI YYLSLEFYMG RTLQNTMVNL ALENACDEAT DATA SEQUENCE YQLGLDMEEL EEIEEDAGLG NGGLGRLAAC FLDSMATLGL AAYGYGIRYE DATA SEQUENCE FGIFNQKICG GWQMEEADDW LRYGNPWEKA RPEFTLPVHF YGRVEHTSQG DATA SEQUENCE AKWVDTQVVL AMPYDTPVPG YRNNVVNTMR LWSAKAPNDF NLKDFNVGGY DATA SEQUENCE IQAVLDRNLA ENISRVLYPN DNFFEGKELR LKQEYFVVAA TLQDIIRRFK DATA SEQUENCE SSKFGCRDPV RTNFDAFPDK VAIQLNDTHP SLAIPELMRV LVDLERLDWD DATA SEQUENCE KAWEVTVKTC AYTNHTVLPE ALERWPVHLL ETLLPRHLQI IYEINQRFLN DATA SEQUENCE RVAAAFPGDV DRLRRMSLVE EGAVKRINMA HLCIAGSHAV NGVARIHSEI DATA SEQUENCE LKKTIFKDFY ELEPHKFQNK TNGITPRRWL VLCNPGLAEI IAERIGEEYI DATA SEQUENCE SDLDQLRKLL SYVDDEAFIR DVAKVKQENK LKFAAYLERE YKVHINPNSL DATA SEQUENCE FDVQVKRIHE YKRQLLNCLH VITLYNRIKK EPNKFVVPRT VMIGGKAAPG DATA SEQUENCE YHMAKMIIKL ITAIGDVVNH DPVVGDRLRV IFLENYRVSL AEKVIPAADL DATA SEQUENCE SEQISTAGTE ASGTGNMKFM LNGALTIGTM DGANVEMAEE AGEENFFIFG DATA SEQUENCE MRVEDVDRLD QRGYNAQEYY DRIPELRQII EQLSSGFFSP KQPDLFKDIV DATA SEQUENCE NMLMHHDRFK VFADYEEYVK CQERVSALYK NPREWTRMVI RNIATSGKFS DATA SEQUENCE SDRTIAQYAR EIWGVEPSRQ RLPAPDEKI 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 0.000 176.125 176.117 0.013 0.000 1.063 13 I CA 0.000 61.308 61.300 0.013 0.000 1.566 13 I CB 0.000 38.010 38.000 0.017 0.000 1.214 14 S N 3.268 118.980 115.700 0.020 0.000 2.481 14 S HA -0.074 4.388 4.470 -0.015 0.000 0.231 14 S C 1.654 176.268 174.600 0.024 0.000 0.996 14 S CA 0.912 59.123 58.200 0.018 0.000 0.942 14 S CB -0.219 62.993 63.200 0.021 0.000 0.768 14 S HN 0.780 nan 8.310 nan 0.000 0.520 15 V N -0.520 119.415 119.914 0.035 0.000 3.141 15 V HA 0.185 4.296 4.120 -0.015 0.000 0.265 15 V C 2.002 178.119 176.094 0.039 0.000 1.126 15 V CA 0.753 63.078 62.300 0.042 0.000 1.141 15 V CB -1.018 30.836 31.823 0.051 0.000 0.743 15 V HN 0.393 nan 8.190 nan 0.000 0.492 16 R N 1.445 121.958 120.500 0.022 0.000 2.313 16 R HA 0.393 4.725 4.340 -0.015 0.000 0.199 16 R C 1.220 177.516 176.300 -0.006 0.000 0.958 16 R CA 0.604 56.710 56.100 0.009 0.000 1.047 16 R CB -0.229 30.072 30.300 0.002 0.000 0.955 16 R HN 0.769 nan 8.270 nan 0.000 0.481 17 G N 1.153 109.949 108.800 -0.008 0.000 2.760 17 G HA2 -0.266 3.686 3.960 -0.015 0.000 0.246 17 G HA3 -0.266 3.686 3.960 -0.015 0.000 0.246 17 G C -0.464 174.423 174.900 -0.021 0.000 1.359 17 G CA -0.907 44.178 45.100 -0.024 0.000 0.861 17 G HN 0.122 nan 8.290 nan 0.000 0.541 18 L N -0.036 121.172 121.223 -0.026 0.000 2.375 18 L HA 0.632 4.963 4.340 -0.015 0.000 0.271 18 L C 1.137 177.995 176.870 -0.019 0.000 1.107 18 L CA -0.084 54.745 54.840 -0.019 0.000 0.806 18 L CB 1.607 43.656 42.059 -0.017 0.000 1.146 18 L HN 1.224 nan 8.230 nan 0.000 0.447 19 A N 1.976 124.788 122.820 -0.013 0.000 3.219 19 A HA 0.521 4.832 4.320 -0.015 0.000 0.314 19 A C 0.570 178.153 177.584 -0.001 0.000 1.081 19 A CA -0.381 51.651 52.037 -0.009 0.000 0.995 19 A CB -0.400 18.593 19.000 -0.012 0.000 1.067 19 A HN 0.792 nan 8.150 nan 0.000 0.533 20 G N -0.280 108.520 108.800 0.001 0.000 2.391 20 G HA2 0.293 4.244 3.960 -0.015 0.000 0.234 20 G HA3 0.293 4.244 3.960 -0.015 0.000 0.234 20 G C 1.222 176.130 174.900 0.013 0.000 1.284 20 G CA 0.226 45.330 45.100 0.007 0.000 0.873 20 G HN 1.258 nan 8.290 nan 0.000 0.549 21 V N 0.207 120.129 119.914 0.013 0.000 2.392 21 V HA -0.156 3.955 4.120 -0.015 0.000 0.249 21 V C 1.992 178.099 176.094 0.023 0.000 1.059 21 V CA 2.386 64.697 62.300 0.017 0.000 1.051 21 V CB -0.677 31.155 31.823 0.015 0.000 0.658 21 V HN 0.779 nan 8.190 nan 0.000 0.455 22 E N 0.846 121.060 120.200 0.023 0.000 2.051 22 E HA -0.156 4.185 4.350 -0.015 0.000 0.189 22 E C 2.188 178.812 176.600 0.041 0.000 0.979 22 E CA 1.256 57.673 56.400 0.029 0.000 0.803 22 E CB -0.246 29.469 29.700 0.025 0.000 0.761 22 E HN 0.740 nan 8.360 nan 0.000 0.451 23 N N 0.177 118.902 118.700 0.042 0.000 2.205 23 N HA -0.159 4.572 4.740 -0.015 0.000 0.186 23 N C 1.662 177.210 175.510 0.064 0.000 1.015 23 N CA 0.886 53.972 53.050 0.060 0.000 0.862 23 N CB 0.191 38.705 38.487 0.045 0.000 0.986 23 N HN -0.081 nan 8.380 nan 0.000 0.429 24 V N -0.061 119.880 119.914 0.045 0.000 2.379 24 V HA -0.189 3.922 4.120 -0.015 0.000 0.245 24 V C 2.319 178.443 176.094 0.050 0.000 1.044 24 V CA 2.057 64.382 62.300 0.043 0.000 1.036 24 V CB -0.952 30.889 31.823 0.030 0.000 0.664 24 V HN 0.613 nan 8.190 nan 0.000 0.453 25 T N -1.142 113.440 114.554 0.046 0.000 2.821 25 T HA -0.214 4.127 4.350 -0.015 0.000 0.267 25 T C 1.735 176.473 174.700 0.064 0.000 1.046 25 T CA 1.520 63.647 62.100 0.046 0.000 1.139 25 T CB -0.257 68.632 68.868 0.036 0.000 0.871 25 T HN 0.469 nan 8.240 nan 0.000 0.454 26 E N 1.375 121.619 120.200 0.072 0.000 2.077 26 E HA -0.027 4.314 4.350 -0.015 0.000 0.193 26 E C 2.033 178.709 176.600 0.126 0.000 0.989 26 E CA 0.870 57.322 56.400 0.088 0.000 0.800 26 E CB -0.655 29.099 29.700 0.090 0.000 0.746 26 E HN 0.546 nan 8.360 nan 0.000 0.452 27 L N 0.350 121.658 121.223 0.143 0.000 2.017 27 L HA -0.175 4.157 4.340 -0.015 0.000 0.208 27 L C 2.547 179.536 176.870 0.198 0.000 1.073 27 L CA 1.485 56.438 54.840 0.188 0.000 0.745 27 L CB -0.372 41.777 42.059 0.150 0.000 0.894 27 L HN 0.084 nan 8.230 nan 0.000 0.432 28 K N -0.150 120.329 120.400 0.131 0.000 2.097 28 K HA -0.216 4.095 4.320 -0.015 0.000 0.206 28 K C 2.172 178.886 176.600 0.190 0.000 1.049 28 K CA 1.082 57.443 56.287 0.124 0.000 0.933 28 K CB -0.122 32.404 32.500 0.043 0.000 0.717 28 K HN 0.205 nan 8.250 nan 0.000 0.442 29 K N 1.133 121.619 120.400 0.143 0.000 2.002 29 K HA -0.142 4.169 4.320 -0.015 0.000 0.209 29 K C 1.679 178.374 176.600 0.157 0.000 1.048 29 K CA 1.383 57.745 56.287 0.125 0.000 0.930 29 K CB -0.013 32.537 32.500 0.084 0.000 0.714 29 K HN 0.078 nan 8.250 nan 0.000 0.438 30 N N 0.302 119.108 118.700 0.176 0.000 2.309 30 N HA -0.140 4.591 4.740 -0.015 0.000 0.182 30 N C 1.565 177.255 175.510 0.300 0.000 1.018 30 N CA 0.728 53.892 53.050 0.190 0.000 0.876 30 N CB -0.289 38.314 38.487 0.194 0.000 0.972 30 N HN 0.198 nan 8.380 nan 0.000 0.434 31 F N 2.293 122.354 119.950 0.184 0.000 2.084 31 F HA -0.055 4.463 4.527 -0.014 0.000 0.296 31 F C 1.921 177.836 175.800 0.193 0.000 1.111 31 F CA 1.211 59.330 58.000 0.199 0.000 1.224 31 F CB -0.274 38.807 39.000 0.135 0.000 0.991 31 F HN -0.071 nan 8.300 nan 0.000 0.471 32 N N 0.563 119.496 118.700 0.388 0.000 2.223 32 N HA -0.153 4.579 4.740 -0.015 0.000 0.185 32 N C 2.052 177.636 175.510 0.123 0.000 1.016 32 N CA 0.860 54.055 53.050 0.242 0.000 0.863 32 N CB -0.439 38.177 38.487 0.214 0.000 0.983 32 N HN 0.356 nan 8.380 nan 0.000 0.429 33 R N 0.096 120.676 120.500 0.133 0.000 2.070 33 R HA -0.083 4.248 4.340 -0.015 0.000 0.233 33 R C 1.850 178.233 176.300 0.139 0.000 1.137 33 R CA 1.397 57.597 56.100 0.168 0.000 0.945 33 R CB -0.407 29.925 30.300 0.054 0.000 0.845 33 R HN 0.432 nan 8.270 nan 0.000 0.430 34 H N -0.021 119.093 119.070 0.073 0.000 2.352 34 H HA -0.160 4.387 4.556 -0.015 0.000 0.299 34 H C 1.901 177.187 175.328 -0.069 0.000 1.097 34 H CA 1.659 57.699 56.048 -0.014 0.000 1.311 34 H CB -0.069 29.650 29.762 -0.071 0.000 1.377 34 H HN 0.065 nan 8.280 nan 0.000 0.504 35 L N 0.050 121.254 121.223 -0.032 0.000 2.043 35 L HA -0.230 4.101 4.340 -0.015 0.000 0.212 35 L C 2.223 179.077 176.870 -0.027 0.000 1.075 35 L CA 2.037 56.833 54.840 -0.073 0.000 0.752 35 L CB -0.640 41.374 42.059 -0.075 0.000 0.891 35 L HN 0.323 nan 8.230 nan 0.000 0.432 36 H N -1.518 117.471 119.070 -0.135 0.000 2.260 36 H HA -0.121 4.426 4.556 -0.015 0.000 0.304 36 H C 1.853 176.984 175.328 -0.330 0.000 1.059 36 H CA 2.495 58.367 56.048 -0.293 0.000 1.305 36 H CB -0.397 29.077 29.762 -0.480 0.000 1.388 36 H HN 0.308 nan 8.280 nan 0.000 0.496 37 F N -0.558 119.367 119.950 -0.042 0.000 2.259 37 F HA -0.028 4.490 4.527 -0.015 0.000 0.298 37 F C 2.599 178.315 175.800 -0.140 0.000 1.088 37 F CA 1.420 59.344 58.000 -0.127 0.000 1.358 37 F CB -0.370 38.586 39.000 -0.073 0.000 1.040 37 F HN 0.191 nan 8.300 nan 0.000 0.505 38 T N -0.722 113.868 114.554 0.060 0.000 3.044 38 T HA 0.129 4.470 4.350 -0.015 0.000 0.255 38 T C 1.725 176.377 174.700 -0.080 0.000 1.073 38 T CA 0.647 62.730 62.100 -0.029 0.000 1.125 38 T CB -0.020 68.834 68.868 -0.023 0.000 0.908 38 T HN 0.084 nan 8.240 nan 0.000 0.480 39 L N 0.685 121.861 121.223 -0.079 0.000 2.664 39 L HA 0.276 4.607 4.340 -0.015 0.000 0.233 39 L C 0.155 176.942 176.870 -0.138 0.000 1.113 39 L CA -0.010 54.762 54.840 -0.114 0.000 0.896 39 L CB 0.500 42.496 42.059 -0.105 0.000 1.163 39 L HN -0.091 nan 8.230 nan 0.000 0.497 40 V N 0.770 120.583 119.914 -0.169 0.000 5.915 40 V HA -0.298 3.813 4.120 -0.015 0.000 0.250 40 V C 0.006 175.991 176.094 -0.182 0.000 0.647 40 V CA 1.046 63.212 62.300 -0.223 0.000 0.573 40 V CB -2.103 29.616 31.823 -0.174 0.000 0.266 40 V HN 0.358 nan 8.190 nan 0.000 0.580 41 K N 1.185 121.487 120.400 -0.164 0.000 2.499 41 K HA 0.733 5.044 4.320 -0.015 0.000 0.277 41 K C -0.713 175.863 176.600 -0.040 0.000 1.025 41 K CA -0.390 55.836 56.287 -0.102 0.000 0.900 41 K CB 2.725 35.162 32.500 -0.104 0.000 1.494 41 K HN 0.573 nan 8.250 nan 0.000 0.442 42 D N -1.228 119.169 120.400 -0.004 0.000 2.570 42 D HA 0.196 4.827 4.640 -0.015 0.000 0.244 42 D C 0.639 176.985 176.300 0.076 0.000 1.178 42 D CA -0.590 53.441 54.000 0.051 0.000 0.881 42 D CB 1.402 42.226 40.800 0.041 0.000 1.453 42 D HN 0.477 nan 8.370 nan 0.000 0.447 43 R N 1.003 121.575 120.500 0.121 0.000 2.133 43 R HA -0.184 4.147 4.340 -0.015 0.000 0.247 43 R C 1.010 177.388 176.300 0.131 0.000 1.151 43 R CA 1.651 57.858 56.100 0.177 0.000 0.971 43 R CB -0.802 29.583 30.300 0.142 0.000 0.866 43 R HN 0.335 nan 8.270 nan 0.000 0.447 44 N N 0.025 118.769 118.700 0.072 0.000 2.364 44 N HA -0.095 4.636 4.740 -0.015 0.000 0.183 44 N C 0.946 176.472 175.510 0.028 0.000 1.022 44 N CA 1.537 54.615 53.050 0.047 0.000 0.883 44 N CB 0.355 38.858 38.487 0.027 0.000 0.965 44 N HN 0.211 nan 8.380 nan 0.000 0.438 45 V N -0.084 119.835 119.914 0.009 0.000 3.337 45 V HA 0.335 4.446 4.120 -0.015 0.000 0.307 45 V C 0.052 176.103 176.094 -0.072 0.000 1.505 45 V CA -0.183 62.103 62.300 -0.024 0.000 1.072 45 V CB 0.219 32.024 31.823 -0.029 0.000 0.929 45 V HN 0.116 nan 8.190 nan 0.000 0.455 46 A N 1.008 123.766 122.820 -0.104 0.000 2.386 46 A HA 0.597 4.909 4.320 -0.015 0.000 0.248 46 A C 0.664 178.039 177.584 -0.348 0.000 1.082 46 A CA 0.736 52.604 52.037 -0.282 0.000 0.789 46 A CB 0.248 18.969 19.000 -0.465 0.000 1.025 46 A HN 0.621 nan 8.150 nan 0.000 0.490 47 T N -0.756 113.581 114.554 -0.362 0.000 2.952 47 T HA 0.576 4.917 4.350 -0.015 0.000 0.286 47 T C -2.136 172.396 174.700 -0.281 0.000 1.024 47 T CA -1.778 60.181 62.100 -0.235 0.000 1.029 47 T CB 1.353 70.137 68.868 -0.139 0.000 1.094 47 T HN 0.263 nan 8.240 nan 0.000 0.515 48 P HA -0.120 nan 4.420 nan 0.000 0.216 48 P C 1.575 178.969 177.300 0.157 0.000 1.153 48 P CA 1.066 64.252 63.100 0.143 0.000 0.858 48 P CB 0.042 31.825 31.700 0.138 0.000 0.789 49 R N -0.299 120.255 120.500 0.089 0.000 2.120 49 R HA -0.144 4.187 4.340 -0.015 0.000 0.234 49 R C 1.693 178.176 176.300 0.305 0.000 1.123 49 R CA 1.559 57.790 56.100 0.218 0.000 0.975 49 R CB -0.576 29.765 30.300 0.068 0.000 0.866 49 R HN 0.105 nan 8.270 nan 0.000 0.446 50 D N -0.513 119.901 120.400 0.023 0.000 2.117 50 D HA -0.174 4.457 4.640 -0.015 0.000 0.198 50 D C 1.651 177.987 176.300 0.060 0.000 0.982 50 D CA 1.222 55.189 54.000 -0.055 0.000 0.828 50 D CB -0.252 40.378 40.800 -0.284 0.000 0.967 50 D HN 0.238 nan 8.370 nan 0.000 0.464 51 Y N 0.289 120.701 120.300 0.186 0.000 2.097 51 Y HA -0.235 4.307 4.550 -0.014 0.000 0.282 51 Y C 2.387 178.447 175.900 0.266 0.000 1.152 51 Y CA 0.503 58.770 58.100 0.277 0.000 1.136 51 Y CB -1.383 37.273 38.460 0.326 0.000 0.975 51 Y HN 0.101 nan 8.280 nan 0.000 0.498 52 Y N -0.446 120.043 120.300 0.315 0.000 2.165 52 Y HA -0.295 4.247 4.550 -0.015 0.000 0.286 52 Y C 2.033 177.944 175.900 0.018 0.000 1.155 52 Y CA 1.255 59.444 58.100 0.148 0.000 1.164 52 Y CB -1.162 37.315 38.460 0.029 0.000 0.978 52 Y HN 0.038 nan 8.280 nan 0.000 0.513 53 F N 0.180 119.847 119.950 -0.471 0.000 2.186 53 F HA -0.105 4.413 4.527 -0.014 0.000 0.299 53 F C 2.655 178.213 175.800 -0.405 0.000 1.090 53 F CA 1.481 59.116 58.000 -0.608 0.000 1.307 53 F CB -0.935 37.914 39.000 -0.252 0.000 1.019 53 F HN 0.186 nan 8.300 nan 0.000 0.489 54 A N -0.290 122.485 122.820 -0.076 0.000 1.902 54 A HA -0.169 4.143 4.320 -0.015 0.000 0.217 54 A C 2.066 179.529 177.584 -0.202 0.000 1.181 54 A CA 1.585 53.471 52.037 -0.251 0.000 0.623 54 A CB -0.978 17.564 19.000 -0.763 0.000 0.818 54 A HN 0.345 nan 8.150 nan 0.000 0.443 55 L N -0.251 120.983 121.223 0.018 0.000 2.027 55 L HA 0.044 4.376 4.340 -0.015 0.000 0.206 55 L C 2.644 179.490 176.870 -0.041 0.000 1.074 55 L CA 2.179 57.147 54.840 0.213 0.000 0.745 55 L CB -1.145 41.107 42.059 0.321 0.000 0.898 55 L HN 0.326 nan 8.230 nan 0.000 0.433 56 A N -1.124 121.482 122.820 -0.358 0.000 1.917 56 A HA -0.300 4.011 4.320 -0.015 0.000 0.219 56 A C 2.176 179.372 177.584 -0.646 0.000 1.182 56 A CA 2.132 53.822 52.037 -0.579 0.000 0.633 56 A CB -1.165 17.103 19.000 -1.222 0.000 0.819 56 A HN 0.714 nan 8.150 nan 0.000 0.448 57 H N -1.065 117.663 119.070 -0.570 0.000 2.353 57 H HA -0.072 4.476 4.556 -0.015 0.000 0.300 57 H C 2.402 177.430 175.328 -0.499 0.000 1.090 57 H CA 1.839 57.495 56.048 -0.652 0.000 1.327 57 H CB -0.109 29.060 29.762 -0.990 0.000 1.383 57 H HN 0.467 nan 8.280 nan 0.000 0.508 58 T N -0.071 114.354 114.554 -0.215 0.000 2.720 58 T HA -0.161 4.180 4.350 -0.015 0.000 0.268 58 T C 2.216 177.056 174.700 0.233 0.000 1.037 58 T CA 1.355 63.529 62.100 0.122 0.000 1.144 58 T CB -0.373 68.653 68.868 0.263 0.000 0.864 58 T HN 0.096 nan 8.240 nan 0.000 0.444 59 V N 1.438 121.471 119.914 0.198 0.000 2.379 59 V HA -0.116 3.995 4.120 -0.015 0.000 0.245 59 V C 2.560 178.862 176.094 0.345 0.000 1.044 59 V CA 1.779 64.263 62.300 0.307 0.000 1.036 59 V CB -0.588 31.420 31.823 0.307 0.000 0.664 59 V HN 0.372 nan 8.190 nan 0.000 0.453 60 R N 0.510 121.160 120.500 0.251 0.000 2.120 60 R HA -0.188 4.143 4.340 -0.015 0.000 0.234 60 R C 1.837 178.286 176.300 0.247 0.000 1.123 60 R CA 1.924 58.199 56.100 0.292 0.000 0.975 60 R CB -0.476 29.896 30.300 0.120 0.000 0.866 60 R HN 0.472 nan 8.270 nan 0.000 0.446 61 D N 0.031 120.543 120.400 0.186 0.000 2.149 61 D HA -0.175 4.456 4.640 -0.015 0.000 0.198 61 D C 1.526 177.876 176.300 0.082 0.000 0.990 61 D CA 1.476 55.548 54.000 0.120 0.000 0.839 61 D CB -0.358 40.479 40.800 0.063 0.000 0.948 61 D HN 0.527 nan 8.370 nan 0.000 0.460 62 H N -0.382 118.766 119.070 0.130 0.000 2.518 62 H HA 0.038 4.586 4.556 -0.014 0.000 0.289 62 H C 1.993 177.379 175.328 0.097 0.000 1.051 62 H CA 0.545 56.652 56.048 0.098 0.000 1.280 62 H CB 0.012 29.822 29.762 0.080 0.000 1.380 62 H HN 0.115 nan 8.280 nan 0.000 0.566 63 L N -1.030 120.334 121.223 0.235 0.000 2.249 63 L HA -0.056 4.276 4.340 -0.015 0.000 0.207 63 L C 2.110 179.143 176.870 0.272 0.000 1.090 63 L CA 0.127 55.081 54.840 0.190 0.000 0.802 63 L CB -0.062 42.079 42.059 0.136 0.000 0.947 63 L HN 0.110 nan 8.230 nan 0.000 0.453 64 V N 0.656 120.749 119.914 0.298 0.000 2.252 64 V HA -0.292 3.819 4.120 -0.015 0.000 0.249 64 V C 2.655 178.862 176.094 0.189 0.000 1.056 64 V CA 2.252 64.726 62.300 0.290 0.000 1.022 64 V CB -1.520 30.403 31.823 0.167 0.000 0.641 64 V HN 0.570 nan 8.190 nan 0.000 0.445 65 G N -0.202 108.669 108.800 0.119 0.000 2.514 65 G HA2 -0.302 3.650 3.960 -0.015 0.000 0.217 65 G HA3 -0.302 3.650 3.960 -0.015 0.000 0.217 65 G C 1.723 176.676 174.900 0.087 0.000 1.198 65 G CA 1.166 46.310 45.100 0.073 0.000 0.780 65 G HN 0.452 nan 8.290 nan 0.000 0.565 66 R N -1.376 119.184 120.500 0.100 0.000 2.096 66 R HA -0.070 4.261 4.340 -0.015 0.000 0.235 66 R C 2.236 178.620 176.300 0.140 0.000 1.127 66 R CA 1.212 57.357 56.100 0.074 0.000 0.968 66 R CB -0.445 29.881 30.300 0.042 0.000 0.861 66 R HN 0.512 nan 8.270 nan 0.000 0.440 67 W N 1.414 122.702 121.300 -0.019 0.000 2.318 67 W HA -0.141 4.510 4.660 -0.014 0.000 0.313 67 W C 1.635 178.138 176.519 -0.027 0.000 1.221 67 W CA 1.238 58.573 57.345 -0.017 0.000 1.266 67 W CB -0.574 28.895 29.460 0.014 0.000 1.150 67 W HN 0.029 nan 8.180 nan 0.000 0.496 68 I N -0.166 120.496 120.570 0.152 0.000 2.286 68 I HA -0.245 3.916 4.170 -0.015 0.000 0.245 68 I C 2.669 178.796 176.117 0.017 0.000 1.104 68 I CA 1.177 62.476 61.300 -0.001 0.000 1.397 68 I CB -0.544 37.428 38.000 -0.046 0.000 1.072 68 I HN -0.172 nan 8.210 nan 0.000 0.417 69 R N -0.017 120.497 120.500 0.024 0.000 2.115 69 R HA -0.101 4.230 4.340 -0.015 0.000 0.230 69 R C 2.285 178.562 176.300 -0.038 0.000 1.111 69 R CA 1.677 57.777 56.100 0.001 0.000 0.976 69 R CB -0.359 29.937 30.300 -0.007 0.000 0.870 69 R HN 0.333 nan 8.270 nan 0.000 0.445 70 T N 0.905 115.413 114.554 -0.076 0.000 2.674 70 T HA -0.140 4.201 4.350 -0.015 0.000 0.265 70 T C 1.737 176.172 174.700 -0.442 0.000 1.039 70 T CA 1.014 62.948 62.100 -0.275 0.000 1.150 70 T CB -0.094 68.651 68.868 -0.206 0.000 0.864 70 T HN 0.156 nan 8.240 nan 0.000 0.427 71 Q N 1.085 120.802 119.800 -0.139 0.000 2.170 71 Q HA -0.051 4.280 4.340 -0.015 0.000 0.203 71 Q C 2.350 178.399 176.000 0.080 0.000 0.976 71 Q CA 1.344 57.159 55.803 0.019 0.000 0.858 71 Q CB -0.372 28.447 28.738 0.136 0.000 0.907 71 Q HN 0.649 nan 8.270 nan 0.000 0.433 72 Q N -0.873 118.959 119.800 0.053 0.000 2.083 72 Q HA -0.171 4.161 4.340 -0.015 0.000 0.198 72 Q C 1.969 178.056 176.000 0.146 0.000 0.969 72 Q CA 1.199 57.077 55.803 0.125 0.000 0.838 72 Q CB -0.195 28.591 28.738 0.081 0.000 0.900 72 Q HN 0.483 nan 8.270 nan 0.000 0.436 73 H N -0.152 118.882 119.070 -0.060 0.000 2.319 73 H HA -0.201 4.346 4.556 -0.015 0.000 0.299 73 H C 1.374 176.742 175.328 0.067 0.000 1.092 73 H CA 1.961 57.974 56.048 -0.058 0.000 1.302 73 H CB -0.118 29.537 29.762 -0.177 0.000 1.373 73 H HN 0.247 nan 8.280 nan 0.000 0.497 74 Y N -1.131 119.199 120.300 0.049 0.000 2.242 74 Y HA -0.168 4.373 4.550 -0.015 0.000 0.291 74 Y C 2.457 178.373 175.900 0.025 0.000 1.137 74 Y CA 0.989 59.087 58.100 -0.003 0.000 1.181 74 Y CB -1.357 37.178 38.460 0.126 0.000 0.989 74 Y HN 0.351 nan 8.280 nan 0.000 0.527 75 Y N 1.068 121.456 120.300 0.146 0.000 2.163 75 Y HA -0.178 4.363 4.550 -0.015 0.000 0.288 75 Y C 2.206 178.118 175.900 0.019 0.000 1.136 75 Y CA 1.841 59.992 58.100 0.086 0.000 1.147 75 Y CB -0.274 38.234 38.460 0.081 0.000 0.987 75 Y HN 0.022 nan 8.280 nan 0.000 0.509 76 E N 0.358 120.501 120.200 -0.094 0.000 2.017 76 E HA -0.163 4.179 4.350 -0.015 0.000 0.193 76 E C 2.241 178.713 176.600 -0.213 0.000 0.997 76 E CA 1.360 57.653 56.400 -0.179 0.000 0.804 76 E CB -0.232 29.449 29.700 -0.031 0.000 0.757 76 E HN 0.136 nan 8.360 nan 0.000 0.448 77 K N 0.347 120.618 120.400 -0.215 0.000 2.148 77 K HA -0.134 4.177 4.320 -0.015 0.000 0.204 77 K C -0.061 176.442 176.600 -0.161 0.000 1.050 77 K CA 1.107 57.270 56.287 -0.207 0.000 0.942 77 K CB -0.113 32.186 32.500 -0.334 0.000 0.724 77 K HN 0.112 nan 8.250 nan 0.000 0.446 78 D N 0.266 120.577 120.400 -0.149 0.000 2.705 78 D HA -0.104 4.527 4.640 -0.015 0.000 0.240 78 D C -2.405 173.830 176.300 -0.108 0.000 1.137 78 D CA 0.167 54.086 54.000 -0.135 0.000 0.677 78 D CB -0.273 40.409 40.800 -0.197 0.000 1.049 78 D HN 0.220 nan 8.370 nan 0.000 0.427 79 P HA 0.141 nan 4.420 nan 0.000 0.276 79 P C 0.054 177.285 177.300 -0.114 0.000 1.252 79 P CA -0.551 62.492 63.100 -0.096 0.000 0.802 79 P CB 0.676 32.314 31.700 -0.103 0.000 1.035 80 K N 1.322 121.655 120.400 -0.112 0.000 2.414 80 K HA 0.051 4.363 4.320 -0.015 0.000 0.272 80 K C 0.048 176.527 176.600 -0.202 0.000 0.993 80 K CA -0.152 56.057 56.287 -0.130 0.000 0.964 80 K CB 0.379 32.820 32.500 -0.099 0.000 0.925 80 K HN 0.316 nan 8.250 nan 0.000 0.487 81 R N 3.977 124.323 120.500 -0.257 0.000 2.532 81 R HA 0.393 4.724 4.340 -0.015 0.000 0.295 81 R C -0.432 175.473 176.300 -0.659 0.000 0.968 81 R CA -0.810 55.040 56.100 -0.417 0.000 0.916 81 R CB 0.685 30.735 30.300 -0.417 0.000 1.124 81 R HN 0.552 nan 8.270 nan 0.000 0.463 82 I N 2.859 123.014 120.570 -0.691 0.000 2.336 82 I HA 0.235 4.396 4.170 -0.015 0.000 0.292 82 I C -0.708 175.026 176.117 -0.638 0.000 0.991 82 I CA -0.626 60.210 61.300 -0.772 0.000 1.227 82 I CB 0.721 38.131 38.000 -0.983 0.000 1.366 82 I HN 0.331 nan 8.210 nan 0.000 0.466 83 Y N 6.080 126.318 120.300 -0.103 0.000 2.402 83 Y HA 0.281 4.823 4.550 -0.014 0.000 0.332 83 Y C -0.573 175.428 175.900 0.169 0.000 0.960 83 Y CA -0.862 57.317 58.100 0.132 0.000 1.228 83 Y CB 0.691 39.231 38.460 0.134 0.000 1.120 83 Y HN 0.395 nan 8.280 nan 0.000 0.491 84 Y N 4.553 125.045 120.300 0.321 0.000 2.650 84 Y HA 0.398 4.940 4.550 -0.014 0.000 0.343 84 Y C -0.834 175.341 175.900 0.459 0.000 1.078 84 Y CA -0.855 57.448 58.100 0.339 0.000 1.356 84 Y CB 0.055 38.715 38.460 0.333 0.000 1.204 84 Y HN 0.536 nan 8.280 nan 0.000 0.508 85 L N 4.585 125.867 121.223 0.098 0.000 2.315 85 L HA 0.326 4.658 4.340 -0.015 0.000 0.283 85 L C 0.006 176.900 176.870 0.041 0.000 1.089 85 L CA 0.444 55.391 54.840 0.179 0.000 0.833 85 L CB 0.699 42.823 42.059 0.108 0.000 1.170 85 L HN 0.547 nan 8.230 nan 0.000 0.442 86 S N 3.126 118.942 115.700 0.193 0.000 2.556 86 S HA 0.462 4.923 4.470 -0.015 0.000 0.271 86 S C 0.223 174.928 174.600 0.175 0.000 1.135 86 S CA -0.716 57.508 58.200 0.040 0.000 0.858 86 S CB 1.128 64.173 63.200 -0.257 0.000 1.114 86 S HN 0.455 nan 8.310 nan 0.000 0.468 87 L N 2.304 123.659 121.223 0.221 0.000 2.591 87 L HA 0.435 4.767 4.340 -0.015 0.000 0.228 87 L C 0.239 177.309 176.870 0.332 0.000 1.133 87 L CA 1.055 56.084 54.840 0.316 0.000 0.880 87 L CB -0.955 41.302 42.059 0.330 0.000 1.033 87 L HN 0.724 nan 8.230 nan 0.000 0.450 88 E N -1.098 119.177 120.200 0.124 0.000 2.340 88 E HA 0.401 4.742 4.350 -0.015 0.000 0.273 88 E C -1.530 174.944 176.600 -0.210 0.000 0.891 88 E CA -0.525 55.929 56.400 0.090 0.000 0.757 88 E CB 2.291 32.010 29.700 0.030 0.000 1.231 88 E HN -0.185 nan 8.360 nan 0.000 0.439 89 F N 1.751 121.812 119.950 0.186 0.000 3.094 89 F HA 0.144 4.662 4.527 -0.015 0.000 0.385 89 F C -0.987 174.905 175.800 0.153 0.000 1.231 89 F CA -0.649 57.451 58.000 0.167 0.000 1.207 89 F CB 0.778 39.872 39.000 0.156 0.000 1.703 89 F HN 0.473 nan 8.300 nan 0.000 0.610 90 Y N 4.729 125.097 120.300 0.112 0.000 2.532 90 Y HA 0.153 4.695 4.550 -0.014 0.000 0.337 90 Y C 1.187 177.105 175.900 0.030 0.000 1.274 90 Y CA -0.628 57.492 58.100 0.033 0.000 1.817 90 Y CB 0.244 38.711 38.460 0.012 0.000 1.769 90 Y HN 0.472 nan 8.280 nan 0.000 0.447 91 M N 0.943 120.651 119.600 0.180 0.000 2.349 91 M HA 0.113 4.584 4.480 -0.015 0.000 0.266 91 M C 1.557 177.811 176.300 -0.077 0.000 1.076 91 M CA 0.992 56.314 55.300 0.037 0.000 1.126 91 M CB -1.216 31.392 32.600 0.013 0.000 1.392 91 M HN 0.637 nan 8.290 nan 0.000 0.440 92 G N 1.290 110.043 108.800 -0.078 0.000 2.601 92 G HA2 -0.270 3.681 3.960 -0.015 0.000 0.252 92 G HA3 -0.270 3.681 3.960 -0.015 0.000 0.252 92 G C -0.230 174.600 174.900 -0.116 0.000 1.294 92 G CA -0.314 44.703 45.100 -0.138 0.000 0.912 92 G HN 0.441 nan 8.290 nan 0.000 0.574 93 R N -1.117 119.305 120.500 -0.129 0.000 2.726 93 R HA 0.546 4.877 4.340 -0.015 0.000 0.272 93 R C 1.173 177.347 176.300 -0.210 0.000 1.097 93 R CA 0.449 56.486 56.100 -0.104 0.000 1.198 93 R CB 0.360 30.609 30.300 -0.086 0.000 1.114 93 R HN 0.558 nan 8.270 nan 0.000 0.550 94 T N 0.363 114.739 114.554 -0.296 0.000 2.964 94 T HA 0.002 4.343 4.350 -0.015 0.000 0.250 94 T C 1.390 175.693 174.700 -0.661 0.000 0.982 94 T CA -0.250 61.463 62.100 -0.644 0.000 0.959 94 T CB 0.103 68.188 68.868 -1.306 0.000 1.141 94 T HN 0.318 nan 8.240 nan 0.000 0.494 95 L N 2.226 123.288 121.223 -0.267 0.000 1.951 95 L HA -0.135 4.196 4.340 -0.015 0.000 0.222 95 L C 2.449 179.293 176.870 -0.043 0.000 1.078 95 L CA 2.171 57.044 54.840 0.056 0.000 0.778 95 L CB -0.833 41.478 42.059 0.419 0.000 0.893 95 L HN 0.214 nan 8.230 nan 0.000 0.436 96 Q N -0.761 119.015 119.800 -0.039 0.000 2.096 96 Q HA -0.277 4.055 4.340 -0.015 0.000 0.204 96 Q C 2.265 178.198 176.000 -0.112 0.000 0.982 96 Q CA 2.093 57.862 55.803 -0.056 0.000 0.850 96 Q CB -0.381 28.320 28.738 -0.062 0.000 0.901 96 Q HN 0.716 nan 8.270 nan 0.000 0.422 97 N N -1.136 117.454 118.700 -0.182 0.000 2.205 97 N HA -0.139 4.592 4.740 -0.015 0.000 0.186 97 N C 1.302 176.701 175.510 -0.185 0.000 1.015 97 N CA 1.691 54.622 53.050 -0.198 0.000 0.862 97 N CB 0.080 38.413 38.487 -0.257 0.000 0.986 97 N HN 0.248 nan 8.380 nan 0.000 0.429 98 T N 1.099 115.508 114.554 -0.242 0.000 2.812 98 T HA 0.000 4.342 4.350 -0.015 0.000 0.264 98 T C 2.057 176.697 174.700 -0.100 0.000 1.042 98 T CA 0.812 62.791 62.100 -0.201 0.000 1.140 98 T CB 0.018 68.729 68.868 -0.262 0.000 0.870 98 T HN 0.248 nan 8.240 nan 0.000 0.445 99 M N 0.616 120.176 119.600 -0.067 0.000 2.086 99 M HA -0.091 4.380 4.480 -0.015 0.000 0.261 99 M C 2.467 178.733 176.300 -0.056 0.000 1.067 99 M CA 1.306 56.578 55.300 -0.047 0.000 1.116 99 M CB -0.722 31.869 32.600 -0.014 0.000 1.348 99 M HN 0.101 nan 8.290 nan 0.000 0.407 100 V N 1.180 121.069 119.914 -0.040 0.000 2.255 100 V HA -0.291 3.821 4.120 -0.015 0.000 0.247 100 V C 1.724 177.826 176.094 0.013 0.000 1.051 100 V CA 2.095 64.400 62.300 0.009 0.000 1.018 100 V CB -1.006 30.831 31.823 0.024 0.000 0.641 100 V HN 0.483 nan 8.190 nan 0.000 0.445 101 N N -0.313 118.383 118.700 -0.007 0.000 2.573 101 N HA -0.001 4.730 4.740 -0.015 0.000 0.187 101 N C 1.283 176.676 175.510 -0.195 0.000 1.107 101 N CA 0.850 53.862 53.050 -0.063 0.000 0.918 101 N CB -0.107 38.369 38.487 -0.018 0.000 0.966 101 N HN 0.446 nan 8.380 nan 0.000 0.448 102 L N -1.276 119.854 121.223 -0.154 0.000 2.731 102 L HA 0.352 4.683 4.340 -0.015 0.000 0.240 102 L C 0.489 177.260 176.870 -0.166 0.000 1.120 102 L CA 0.002 54.751 54.840 -0.152 0.000 0.913 102 L CB 0.176 42.171 42.059 -0.107 0.000 1.213 102 L HN 0.014 nan 8.230 nan 0.000 0.515 103 A N 0.375 123.099 122.820 -0.159 0.000 3.061 103 A HA -0.189 4.123 4.320 -0.015 0.000 0.244 103 A C 0.824 178.344 177.584 -0.105 0.000 1.357 103 A CA 0.753 52.712 52.037 -0.130 0.000 0.889 103 A CB -2.140 16.772 19.000 -0.147 0.000 1.092 103 A HN 0.354 nan 8.150 nan 0.000 0.694 104 L N -1.077 120.080 121.223 -0.111 0.000 2.640 104 L HA 0.162 4.493 4.340 -0.015 0.000 0.230 104 L C 1.898 178.731 176.870 -0.061 0.000 1.123 104 L CA 0.751 55.522 54.840 -0.115 0.000 0.900 104 L CB 0.019 41.962 42.059 -0.193 0.000 1.146 104 L HN 0.623 nan 8.230 nan 0.000 0.484 105 E N 1.278 121.453 120.200 -0.041 0.000 2.058 105 E HA -0.254 4.087 4.350 -0.015 0.000 0.194 105 E C 1.702 178.294 176.600 -0.013 0.000 0.997 105 E CA 1.887 58.276 56.400 -0.018 0.000 0.801 105 E CB 0.105 29.798 29.700 -0.011 0.000 0.746 105 E HN 0.520 nan 8.360 nan 0.000 0.450 106 N N -0.722 117.967 118.700 -0.019 0.000 2.216 106 N HA -0.098 4.633 4.740 -0.015 0.000 0.183 106 N C 1.702 177.203 175.510 -0.016 0.000 1.017 106 N CA 0.656 53.696 53.050 -0.018 0.000 0.861 106 N CB -0.050 38.425 38.487 -0.020 0.000 0.986 106 N HN 0.172 nan 8.380 nan 0.000 0.428 107 A N 0.500 123.310 122.820 -0.018 0.000 1.877 107 A HA -0.155 4.156 4.320 -0.015 0.000 0.216 107 A C 2.390 179.976 177.584 0.002 0.000 1.186 107 A CA 1.075 53.107 52.037 -0.009 0.000 0.620 107 A CB -0.972 18.017 19.000 -0.018 0.000 0.822 107 A HN 0.455 nan 8.150 nan 0.000 0.443 108 C N -0.730 118.571 119.300 0.001 0.000 2.422 108 C HA -0.072 4.379 4.460 -0.015 0.000 0.279 108 C C 2.438 177.438 174.990 0.016 0.000 1.305 108 C CA 1.200 60.230 59.018 0.020 0.000 1.757 108 C CB -1.150 26.611 27.740 0.034 0.000 1.962 108 C HN 0.683 nan 8.230 nan 0.000 0.499 109 D N 0.504 120.911 120.400 0.011 0.000 2.144 109 D HA -0.119 4.512 4.640 -0.015 0.000 0.200 109 D C 2.130 178.445 176.300 0.025 0.000 0.978 109 D CA 1.299 55.307 54.000 0.014 0.000 0.833 109 D CB -0.185 40.614 40.800 -0.003 0.000 0.961 109 D HN 0.560 nan 8.370 nan 0.000 0.470 110 E N 0.137 120.346 120.200 0.015 0.000 2.046 110 E HA -0.025 4.317 4.350 -0.015 0.000 0.190 110 E C 1.919 178.561 176.600 0.071 0.000 0.982 110 E CA 1.478 57.901 56.400 0.038 0.000 0.800 110 E CB -0.441 29.268 29.700 0.014 0.000 0.756 110 E HN 0.156 nan 8.360 nan 0.000 0.449 111 A N 0.032 122.865 122.820 0.022 0.000 1.908 111 A HA -0.220 4.091 4.320 -0.015 0.000 0.218 111 A C 2.473 179.998 177.584 -0.098 0.000 1.181 111 A CA 2.706 54.733 52.037 -0.018 0.000 0.627 111 A CB -1.452 17.543 19.000 -0.009 0.000 0.818 111 A HN 0.519 nan 8.150 nan 0.000 0.445 112 T N -3.399 111.090 114.554 -0.108 0.000 2.915 112 T HA -0.169 4.172 4.350 -0.015 0.000 0.269 112 T C 1.785 176.407 174.700 -0.131 0.000 1.071 112 T CA 1.411 63.382 62.100 -0.214 0.000 1.132 112 T CB -0.490 68.291 68.868 -0.144 0.000 0.878 112 T HN 0.529 nan 8.240 nan 0.000 0.479 113 Y N 1.743 121.965 120.300 -0.129 0.000 2.220 113 Y HA 0.028 4.570 4.550 -0.014 0.000 0.291 113 Y C 2.633 178.473 175.900 -0.099 0.000 1.129 113 Y CA 1.108 59.150 58.100 -0.096 0.000 1.161 113 Y CB -0.360 38.065 38.460 -0.060 0.000 0.997 113 Y HN 0.149 nan 8.280 nan 0.000 0.522 114 Q N -0.636 119.124 119.800 -0.066 0.000 2.170 114 Q HA -0.138 4.194 4.340 -0.015 0.000 0.203 114 Q C 1.355 177.226 176.000 -0.215 0.000 0.976 114 Q CA 1.066 56.786 55.803 -0.139 0.000 0.858 114 Q CB -0.084 28.638 28.738 -0.025 0.000 0.907 114 Q HN 0.339 nan 8.270 nan 0.000 0.433 115 L N -0.525 120.554 121.223 -0.239 0.000 2.645 115 L HA 0.123 4.454 4.340 -0.015 0.000 0.235 115 L C 1.072 177.765 176.870 -0.295 0.000 1.150 115 L CA 1.224 55.898 54.840 -0.277 0.000 0.911 115 L CB -0.687 41.111 42.059 -0.435 0.000 1.077 115 L HN 0.337 nan 8.230 nan 0.000 0.438 116 G N -0.071 108.542 108.800 -0.312 0.000 2.198 116 G HA2 -0.279 3.672 3.960 -0.015 0.000 0.260 116 G HA3 -0.279 3.672 3.960 -0.015 0.000 0.260 116 G C 0.171 174.926 174.900 -0.242 0.000 1.025 116 G CA 0.448 45.377 45.100 -0.284 0.000 0.769 116 G HN 0.339 nan 8.290 nan 0.000 0.507 117 L N -0.390 120.687 121.223 -0.244 0.000 2.354 117 L HA 0.584 4.915 4.340 -0.015 0.000 0.269 117 L C -0.532 176.300 176.870 -0.063 0.000 1.005 117 L CA -1.188 53.542 54.840 -0.184 0.000 0.819 117 L CB 1.920 43.803 42.059 -0.293 0.000 1.311 117 L HN 0.085 nan 8.230 nan 0.000 0.423 118 D N 2.189 122.588 120.400 -0.003 0.000 2.396 118 D HA 0.165 4.797 4.640 -0.015 0.000 0.225 118 D C 0.694 177.029 176.300 0.058 0.000 1.121 118 D CA -0.261 53.767 54.000 0.048 0.000 0.853 118 D CB 1.425 42.259 40.800 0.057 0.000 1.043 118 D HN 0.518 nan 8.370 nan 0.000 0.500 119 M N 3.116 122.751 119.600 0.058 0.000 2.149 119 M HA -0.175 4.296 4.480 -0.015 0.000 0.261 119 M C 1.211 177.562 176.300 0.086 0.000 1.064 119 M CA 1.667 57.012 55.300 0.076 0.000 1.102 119 M CB 0.183 32.820 32.600 0.063 0.000 1.369 119 M HN 0.413 nan 8.290 nan 0.000 0.408 120 E N -0.263 119.978 120.200 0.068 0.000 2.208 120 E HA -0.180 4.161 4.350 -0.015 0.000 0.193 120 E C 1.799 178.439 176.600 0.066 0.000 0.988 120 E CA 1.157 57.594 56.400 0.062 0.000 0.828 120 E CB -0.033 29.699 29.700 0.053 0.000 0.763 120 E HN 0.654 nan 8.360 nan 0.000 0.478 121 E N 0.507 120.751 120.200 0.074 0.000 2.107 121 E HA -0.125 4.216 4.350 -0.015 0.000 0.191 121 E C 2.119 178.771 176.600 0.087 0.000 0.982 121 E CA 0.591 57.036 56.400 0.074 0.000 0.809 121 E CB 0.062 29.808 29.700 0.078 0.000 0.756 121 E HN 0.266 nan 8.360 nan 0.000 0.459 122 L N 0.662 121.961 121.223 0.127 0.000 2.093 122 L HA -0.153 4.178 4.340 -0.015 0.000 0.208 122 L C 2.207 179.143 176.870 0.110 0.000 1.085 122 L CA 1.092 56.047 54.840 0.192 0.000 0.755 122 L CB -0.357 41.874 42.059 0.287 0.000 0.904 122 L HN 0.099 nan 8.230 nan 0.000 0.435 123 E N -0.047 120.203 120.200 0.083 0.000 2.153 123 E HA -0.190 4.152 4.350 -0.015 0.000 0.194 123 E C 1.944 178.490 176.600 -0.092 0.000 0.988 123 E CA 0.749 57.156 56.400 0.010 0.000 0.811 123 E CB 0.135 29.858 29.700 0.039 0.000 0.746 123 E HN 0.325 nan 8.360 nan 0.000 0.466 124 E N 0.232 120.409 120.200 -0.039 0.000 2.418 124 E HA -0.107 4.235 4.350 -0.015 0.000 0.197 124 E C 1.736 178.286 176.600 -0.084 0.000 1.026 124 E CA 0.459 56.841 56.400 -0.031 0.000 0.862 124 E CB 0.127 29.843 29.700 0.027 0.000 0.799 124 E HN 0.375 nan 8.360 nan 0.000 0.518 125 I N 0.529 120.995 120.570 -0.173 0.000 2.617 125 I HA -0.054 4.107 4.170 -0.015 0.000 0.256 125 I C 1.280 177.169 176.117 -0.380 0.000 1.167 125 I CA 0.266 61.443 61.300 -0.205 0.000 1.469 125 I CB -0.633 37.286 38.000 -0.135 0.000 1.098 125 I HN 0.077 nan 8.210 nan 0.000 0.436 126 E N 2.607 122.393 120.200 -0.690 0.000 2.376 126 E HA -0.034 4.307 4.350 -0.015 0.000 0.266 126 E C -0.340 176.185 176.600 -0.125 0.000 1.009 126 E CA -0.050 55.995 56.400 -0.591 0.000 0.902 126 E CB 0.696 30.071 29.700 -0.541 0.000 0.972 126 E HN 0.151 nan 8.360 nan 0.000 0.439 127 E N 2.961 123.195 120.200 0.057 0.000 2.283 127 E HA 0.101 4.442 4.350 -0.015 0.000 0.278 127 E C -1.213 175.505 176.600 0.197 0.000 1.027 127 E CA -0.393 56.115 56.400 0.179 0.000 0.843 127 E CB 0.908 30.799 29.700 0.318 0.000 1.062 127 E HN 0.426 nan 8.360 nan 0.000 0.401 128 D N 1.665 122.133 120.400 0.114 0.000 2.455 128 D HA 0.142 4.773 4.640 -0.015 0.000 0.241 128 D C -0.649 175.625 176.300 -0.043 0.000 1.138 128 D CA 0.385 54.403 54.000 0.031 0.000 0.877 128 D CB 0.747 41.546 40.800 -0.002 0.000 1.187 128 D HN 0.417 nan 8.370 nan 0.000 0.451 129 A N 2.778 125.511 122.820 -0.145 0.000 3.004 129 A HA 0.441 4.753 4.320 -0.015 0.000 0.286 129 A C 1.042 178.399 177.584 -0.379 0.000 1.632 129 A CA -0.499 51.186 52.037 -0.586 0.000 1.339 129 A CB -0.313 18.497 19.000 -0.317 0.000 1.136 129 A HN 0.562 nan 8.150 nan 0.000 0.577 130 G N 1.458 110.033 108.800 -0.376 0.000 3.455 130 G HA2 0.388 4.339 3.960 -0.015 0.000 0.250 130 G HA3 0.388 4.339 3.960 -0.015 0.000 0.250 130 G C 0.355 175.107 174.900 -0.247 0.000 1.071 130 G CA -0.307 44.737 45.100 -0.094 0.000 1.812 130 G HN 0.702 nan 8.290 nan 0.000 0.643 131 L N 1.046 122.151 121.223 -0.197 0.000 2.939 131 L HA 0.424 4.755 4.340 -0.015 0.000 0.239 131 L C 0.989 177.772 176.870 -0.145 0.000 1.325 131 L CA -0.322 54.468 54.840 -0.084 0.000 1.170 131 L CB -0.405 41.763 42.059 0.181 0.000 1.538 131 L HN 0.245 nan 8.230 nan 0.000 0.452 132 G N -1.069 107.383 108.800 -0.580 0.000 2.692 132 G HA2 0.252 4.203 3.960 -0.015 0.000 0.291 132 G HA3 0.252 4.203 3.960 -0.015 0.000 0.291 132 G C -0.168 174.142 174.900 -0.984 0.000 1.423 132 G CA -0.464 44.202 45.100 -0.723 0.000 0.843 132 G HN -0.040 nan 8.290 nan 0.000 0.486 133 N N -0.687 117.721 118.700 -0.486 0.000 2.432 133 N HA 0.186 4.917 4.740 -0.015 0.000 0.174 133 N C 1.192 176.668 175.510 -0.058 0.000 1.037 133 N CA 1.237 54.135 53.050 -0.253 0.000 0.892 133 N CB 1.359 39.822 38.487 -0.040 0.000 1.049 133 N HN 0.793 nan 8.380 nan 0.000 0.442 134 G N -0.471 108.361 108.800 0.054 0.000 3.019 134 G HA2 0.164 4.115 3.960 -0.015 0.000 0.125 134 G HA3 0.164 4.115 3.960 -0.015 0.000 0.125 134 G C 0.782 175.820 174.900 0.230 0.000 1.193 134 G CA 0.248 45.514 45.100 0.276 0.000 1.432 134 G HN 0.187 nan 8.290 nan 0.000 0.687 135 G N 1.147 110.020 108.800 0.122 0.000 2.587 135 G HA2 -0.074 3.877 3.960 -0.015 0.000 0.217 135 G HA3 -0.074 3.877 3.960 -0.015 0.000 0.217 135 G C 1.888 176.782 174.900 -0.010 0.000 1.240 135 G CA 2.390 47.523 45.100 0.054 0.000 0.794 135 G HN 1.180 nan 8.290 nan 0.000 0.580 136 L N 0.278 121.434 121.223 -0.111 0.000 2.191 136 L HA 0.111 4.442 4.340 -0.015 0.000 0.212 136 L C 2.469 179.255 176.870 -0.140 0.000 1.103 136 L CA 2.438 57.114 54.840 -0.274 0.000 0.769 136 L CB -1.820 39.769 42.059 -0.785 0.000 0.908 136 L HN 0.248 nan 8.230 nan 0.000 0.438 137 G N 0.597 109.374 108.800 -0.039 0.000 2.402 137 G HA2 -0.303 3.648 3.960 -0.015 0.000 0.216 137 G HA3 -0.303 3.648 3.960 -0.015 0.000 0.216 137 G C 1.741 176.706 174.900 0.108 0.000 1.162 137 G CA 0.778 45.881 45.100 0.005 0.000 0.777 137 G HN 0.380 nan 8.290 nan 0.000 0.539 138 R N -0.077 120.542 120.500 0.198 0.000 2.148 138 R HA 0.171 4.502 4.340 -0.015 0.000 0.223 138 R C 2.253 178.570 176.300 0.027 0.000 1.088 138 R CA 0.614 56.814 56.100 0.167 0.000 0.985 138 R CB -0.731 29.647 30.300 0.130 0.000 0.880 138 R HN 0.339 nan 8.270 nan 0.000 0.451 139 L N 0.024 121.186 121.223 -0.103 0.000 2.056 139 L HA 0.054 4.385 4.340 -0.015 0.000 0.207 139 L C 2.041 178.591 176.870 -0.533 0.000 1.078 139 L CA 2.078 56.700 54.840 -0.364 0.000 0.749 139 L CB -0.803 41.005 42.059 -0.419 0.000 0.901 139 L HN 0.226 nan 8.230 nan 0.000 0.433 140 A N -0.455 122.187 122.820 -0.297 0.000 1.908 140 A HA -0.156 4.155 4.320 -0.015 0.000 0.218 140 A C 2.453 180.068 177.584 0.051 0.000 1.181 140 A CA 1.931 53.849 52.037 -0.197 0.000 0.627 140 A CB -1.197 17.658 19.000 -0.241 0.000 0.818 140 A HN 0.574 nan 8.150 nan 0.000 0.445 141 A N -0.914 121.981 122.820 0.124 0.000 1.858 141 A HA -0.193 4.119 4.320 -0.015 0.000 0.216 141 A C 2.334 179.998 177.584 0.134 0.000 1.190 141 A CA 1.729 53.879 52.037 0.187 0.000 0.617 141 A CB -1.378 17.720 19.000 0.163 0.000 0.827 141 A HN 0.613 nan 8.150 nan 0.000 0.443 142 C N -1.543 117.835 119.300 0.131 0.000 2.413 142 C HA -0.086 4.365 4.460 -0.015 0.000 0.277 142 C C 2.437 177.586 174.990 0.265 0.000 1.265 142 C CA 0.669 59.803 59.018 0.193 0.000 1.752 142 C CB -1.679 26.205 27.740 0.240 0.000 1.998 142 C HN 0.595 nan 8.230 nan 0.000 0.489 143 F N 0.426 120.358 119.950 -0.031 0.000 2.134 143 F HA -0.082 4.436 4.527 -0.015 0.000 0.299 143 F C 2.124 177.870 175.800 -0.089 0.000 1.097 143 F CA 1.082 59.011 58.000 -0.119 0.000 1.264 143 F CB -1.265 37.511 39.000 -0.373 0.000 1.001 143 F HN 0.098 nan 8.300 nan 0.000 0.479 144 L N 0.274 121.585 121.223 0.146 0.000 2.017 144 L HA -0.221 4.110 4.340 -0.015 0.000 0.208 144 L C 2.406 179.291 176.870 0.025 0.000 1.073 144 L CA 1.849 56.730 54.840 0.069 0.000 0.745 144 L CB -1.313 40.796 42.059 0.083 0.000 0.894 144 L HN 0.179 nan 8.230 nan 0.000 0.432 145 D N -1.268 119.154 120.400 0.037 0.000 2.149 145 D HA -0.162 4.469 4.640 -0.015 0.000 0.198 145 D C 1.826 178.141 176.300 0.025 0.000 0.990 145 D CA 1.478 55.484 54.000 0.009 0.000 0.839 145 D CB 0.485 41.287 40.800 0.004 0.000 0.948 145 D HN 0.310 nan 8.370 nan 0.000 0.460 146 S N -0.209 115.522 115.700 0.052 0.000 2.395 146 S HA -0.006 4.456 4.470 -0.015 0.000 0.225 146 S C 2.121 176.729 174.600 0.014 0.000 1.027 146 S CA 0.492 58.715 58.200 0.039 0.000 0.965 146 S CB -0.030 63.203 63.200 0.055 0.000 0.812 146 S HN 0.331 nan 8.310 nan 0.000 0.482 147 M N 1.131 120.730 119.600 -0.002 0.000 2.175 147 M HA -0.076 4.395 4.480 -0.015 0.000 0.264 147 M C 2.468 178.757 176.300 -0.018 0.000 1.063 147 M CA 1.342 56.632 55.300 -0.017 0.000 1.119 147 M CB -0.549 32.019 32.600 -0.053 0.000 1.377 147 M HN 0.401 nan 8.290 nan 0.000 0.415 148 A N -0.085 122.723 122.820 -0.019 0.000 1.855 148 A HA -0.129 4.182 4.320 -0.015 0.000 0.215 148 A C 2.165 179.755 177.584 0.010 0.000 1.191 148 A CA 2.104 54.133 52.037 -0.013 0.000 0.613 148 A CB -1.175 17.803 19.000 -0.038 0.000 0.829 148 A HN 0.398 nan 8.150 nan 0.000 0.442 149 T N 0.409 114.974 114.554 0.019 0.000 2.849 149 T HA -0.058 4.283 4.350 -0.015 0.000 0.270 149 T C 1.325 176.048 174.700 0.037 0.000 1.066 149 T CA 1.196 63.320 62.100 0.042 0.000 1.130 149 T CB -0.309 68.592 68.868 0.056 0.000 0.864 149 T HN 0.325 nan 8.240 nan 0.000 0.481 150 L N 0.444 121.684 121.223 0.029 0.000 2.629 150 L HA 0.265 4.596 4.340 -0.015 0.000 0.230 150 L C 1.582 178.473 176.870 0.036 0.000 1.151 150 L CA -0.027 54.833 54.840 0.032 0.000 0.924 150 L CB -0.614 41.465 42.059 0.033 0.000 1.137 150 L HN 0.392 nan 8.230 nan 0.000 0.457 151 G N 1.519 110.344 108.800 0.041 0.000 2.356 151 G HA2 -0.285 3.666 3.960 -0.015 0.000 0.296 151 G HA3 -0.285 3.666 3.960 -0.015 0.000 0.296 151 G C -0.006 174.930 174.900 0.060 0.000 1.022 151 G CA 0.169 45.311 45.100 0.070 0.000 0.961 151 G HN 0.300 nan 8.290 nan 0.000 0.510 152 L N -0.400 120.821 121.223 -0.003 0.000 2.322 152 L HA 0.667 4.998 4.340 -0.015 0.000 0.279 152 L C 1.057 177.749 176.870 -0.297 0.000 1.036 152 L CA -0.654 54.125 54.840 -0.102 0.000 0.807 152 L CB 1.897 43.907 42.059 -0.080 0.000 1.226 152 L HN 0.259 nan 8.230 nan 0.000 0.433 153 A N 2.879 125.365 122.820 -0.557 0.000 2.990 153 A HA 0.581 4.892 4.320 -0.015 0.000 0.282 153 A C 0.246 177.403 177.584 -0.712 0.000 1.688 153 A CA -0.169 51.187 52.037 -1.136 0.000 1.391 153 A CB -0.610 17.704 19.000 -1.144 0.000 1.112 153 A HN 0.680 nan 8.150 nan 0.000 0.588 154 A N 1.549 124.001 122.820 -0.613 0.000 2.337 154 A HA 0.795 5.106 4.320 -0.015 0.000 0.329 154 A C -1.139 176.172 177.584 -0.454 0.000 1.146 154 A CA -0.437 51.339 52.037 -0.434 0.000 0.800 154 A CB 0.761 19.582 19.000 -0.297 0.000 1.220 154 A HN 0.596 nan 8.150 nan 0.000 0.472 155 Y N 0.344 120.569 120.300 -0.125 0.000 2.373 155 Y HA 0.543 5.085 4.550 -0.014 0.000 0.336 155 Y C 0.786 176.706 175.900 0.034 0.000 0.979 155 Y CA -0.612 57.467 58.100 -0.034 0.000 1.080 155 Y CB 2.257 40.774 38.460 0.095 0.000 1.190 155 Y HN 0.840 nan 8.280 nan 0.000 0.446 156 G N 2.133 110.958 108.800 0.040 0.000 2.338 156 G HA2 0.465 4.416 3.960 -0.015 0.000 0.298 156 G HA3 0.465 4.416 3.960 -0.015 0.000 0.298 156 G C -1.766 173.071 174.900 -0.106 0.000 1.140 156 G CA -0.265 44.896 45.100 0.102 0.000 0.860 156 G HN 0.477 nan 8.290 nan 0.000 0.470 157 Y N 0.695 121.193 120.300 0.331 0.000 2.361 157 Y HA 0.656 5.197 4.550 -0.015 0.000 0.337 157 Y C 0.693 176.877 175.900 0.474 0.000 0.965 157 Y CA 0.001 58.269 58.100 0.279 0.000 1.091 157 Y CB 2.694 41.342 38.460 0.313 0.000 1.182 157 Y HN 0.909 nan 8.280 nan 0.000 0.450 158 G N 2.022 111.137 108.800 0.525 0.000 2.650 158 G HA2 0.565 4.516 3.960 -0.015 0.000 0.310 158 G HA3 0.565 4.516 3.960 -0.015 0.000 0.310 158 G C -1.813 173.309 174.900 0.369 0.000 1.270 158 G CA -0.868 44.562 45.100 0.549 0.000 0.810 158 G HN 0.437 nan 8.290 nan 0.000 0.493 159 I N 0.549 121.240 120.570 0.202 0.000 2.392 159 I HA 0.418 4.579 4.170 -0.015 0.000 0.295 159 I C 0.591 176.641 176.117 -0.112 0.000 0.985 159 I CA -0.655 60.660 61.300 0.024 0.000 1.221 159 I CB 1.972 39.772 38.000 -0.334 0.000 1.366 159 I HN 0.389 nan 8.210 nan 0.000 0.467 160 R N 6.276 126.806 120.500 0.050 0.000 2.870 160 R HA 0.212 4.543 4.340 -0.015 0.000 0.254 160 R C -1.174 175.202 176.300 0.126 0.000 1.392 160 R CA -0.473 55.683 56.100 0.094 0.000 1.322 160 R CB -0.125 30.181 30.300 0.010 0.000 1.205 160 R HN 0.388 nan 8.270 nan 0.000 0.597 161 Y N 1.258 121.735 120.300 0.296 0.000 2.610 161 Y HA -0.116 4.425 4.550 -0.015 0.000 0.332 161 Y C 1.589 177.668 175.900 0.299 0.000 1.201 161 Y CA 0.285 58.547 58.100 0.271 0.000 1.465 161 Y CB 0.691 39.296 38.460 0.242 0.000 1.283 161 Y HN 0.576 nan 8.280 nan 0.000 0.563 162 E N 1.999 122.377 120.200 0.297 0.000 2.107 162 E HA -0.043 4.298 4.350 -0.015 0.000 0.191 162 E C -0.721 175.784 176.600 -0.158 0.000 0.982 162 E CA 0.620 56.977 56.400 -0.071 0.000 0.809 162 E CB 0.188 29.720 29.700 -0.280 0.000 0.756 162 E HN 0.485 nan 8.360 nan 0.000 0.459 163 F N -0.160 119.996 119.950 0.343 0.000 2.460 163 F HA 0.428 4.946 4.527 -0.015 0.000 0.341 163 F C 0.796 176.684 175.800 0.146 0.000 1.130 163 F CA -0.846 57.317 58.000 0.271 0.000 0.962 163 F CB 1.765 40.853 39.000 0.147 0.000 1.171 163 F HN -0.100 nan 8.300 nan 0.000 0.436 164 G N 1.902 110.828 108.800 0.210 0.000 2.624 164 G HA2 0.291 4.242 3.960 -0.015 0.000 0.217 164 G HA3 0.291 4.242 3.960 -0.015 0.000 0.217 164 G C -0.502 174.357 174.900 -0.070 0.000 1.506 164 G CA -0.619 44.441 45.100 -0.066 0.000 1.072 164 G HN 0.567 nan 8.290 nan 0.000 0.568 165 I N 1.204 121.669 120.570 -0.174 0.000 2.598 165 I HA 0.253 4.414 4.170 -0.015 0.000 0.284 165 I C 0.545 176.577 176.117 -0.142 0.000 1.140 165 I CA -1.101 60.074 61.300 -0.208 0.000 1.420 165 I CB -0.354 37.440 38.000 -0.344 0.000 1.387 165 I HN 0.347 nan 8.210 nan 0.000 0.553 166 F N 5.387 125.350 119.950 0.022 0.000 2.646 166 F HA 0.068 4.586 4.527 -0.014 0.000 0.363 166 F C 0.190 176.042 175.800 0.087 0.000 1.143 166 F CA -0.365 57.668 58.000 0.054 0.000 1.356 166 F CB -0.572 38.447 39.000 0.031 0.000 1.055 166 F HN 0.542 nan 8.300 nan 0.000 0.606 167 N N 2.105 120.999 118.700 0.324 0.000 2.444 167 N HA 0.092 4.823 4.740 -0.015 0.000 0.271 167 N C -0.889 174.865 175.510 0.408 0.000 1.069 167 N CA -0.685 52.516 53.050 0.251 0.000 0.965 167 N CB 0.717 39.337 38.487 0.221 0.000 1.092 167 N HN 0.713 nan 8.380 nan 0.000 0.476 168 Q N 3.059 123.069 119.800 0.350 0.000 2.274 168 Q HA 0.178 4.509 4.340 -0.015 0.000 0.256 168 Q C -1.044 175.134 176.000 0.296 0.000 0.927 168 Q CA -0.493 55.561 55.803 0.418 0.000 0.939 168 Q CB 0.591 29.587 28.738 0.429 0.000 1.201 168 Q HN 0.335 nan 8.270 nan 0.000 0.426 169 K N 4.105 124.653 120.400 0.245 0.000 2.267 169 K HA 0.529 4.840 4.320 -0.015 0.000 0.246 169 K C -0.576 176.124 176.600 0.167 0.000 0.954 169 K CA -0.915 55.492 56.287 0.199 0.000 0.824 169 K CB 1.519 34.114 32.500 0.159 0.000 1.167 169 K HN 0.572 nan 8.250 nan 0.000 0.431 170 I N 1.409 122.067 120.570 0.146 0.000 2.362 170 I HA 0.183 4.344 4.170 -0.015 0.000 0.289 170 I C -0.357 175.818 176.117 0.097 0.000 0.994 170 I CA -0.789 60.568 61.300 0.095 0.000 1.158 170 I CB 1.252 39.283 38.000 0.053 0.000 1.315 170 I HN 0.585 nan 8.210 nan 0.000 0.451 171 C N 5.493 124.860 119.300 0.113 0.000 2.344 171 C HA 0.681 5.132 4.460 -0.015 0.000 0.326 171 C C 1.078 176.163 174.990 0.160 0.000 1.201 171 C CA 0.301 59.388 59.018 0.114 0.000 1.410 171 C CB -0.256 27.543 27.740 0.098 0.000 2.070 171 C HN 1.136 nan 8.230 nan 0.000 0.445 172 G N 4.092 112.961 108.800 0.115 0.000 2.221 172 G HA2 0.169 4.121 3.960 -0.015 0.000 0.265 172 G HA3 0.169 4.121 3.960 -0.015 0.000 0.265 172 G C 1.272 176.209 174.900 0.062 0.000 1.041 172 G CA 1.100 46.277 45.100 0.127 0.000 0.807 172 G HN 2.750 nan 8.290 nan 0.000 0.502 173 G N -2.785 105.994 108.800 -0.034 0.000 2.205 173 G HA2 -0.305 3.646 3.960 -0.015 0.000 0.261 173 G HA3 -0.305 3.646 3.960 -0.015 0.000 0.261 173 G C 0.477 175.186 174.900 -0.320 0.000 0.980 173 G CA 0.811 45.779 45.100 -0.221 0.000 0.632 173 G HN 1.243 nan 8.290 nan 0.000 0.533 174 W N 0.616 121.862 121.300 -0.091 0.000 2.509 174 W HA 0.677 5.328 4.660 -0.014 0.000 0.351 174 W C 0.654 177.115 176.519 -0.098 0.000 1.107 174 W CA -0.799 56.484 57.345 -0.104 0.000 1.264 174 W CB 0.710 30.128 29.460 -0.070 0.000 1.312 174 W HN 0.248 nan 8.180 nan 0.000 0.608 175 Q N 2.412 122.327 119.800 0.191 0.000 2.288 175 Q HA 0.345 4.676 4.340 -0.015 0.000 0.254 175 Q C -0.702 175.352 176.000 0.090 0.000 0.932 175 Q CA 0.003 55.872 55.803 0.111 0.000 0.902 175 Q CB 0.642 29.440 28.738 0.100 0.000 1.203 175 Q HN 0.335 nan 8.270 nan 0.000 0.415 176 M N 3.187 122.836 119.600 0.082 0.000 2.326 176 M HA 0.365 4.836 4.480 -0.015 0.000 0.306 176 M C -1.208 175.096 176.300 0.007 0.000 1.054 176 M CA -0.621 54.693 55.300 0.024 0.000 0.922 176 M CB 1.937 34.568 32.600 0.050 0.000 1.632 176 M HN 0.672 nan 8.290 nan 0.000 0.436 177 E N 1.498 121.618 120.200 -0.133 0.000 2.231 177 E HA 0.463 4.804 4.350 -0.015 0.000 0.277 177 E C -0.885 175.698 176.600 -0.028 0.000 0.999 177 E CA -0.301 55.970 56.400 -0.215 0.000 0.827 177 E CB 1.745 31.057 29.700 -0.646 0.000 1.101 177 E HN 0.402 nan 8.360 nan 0.000 0.393 178 E N 0.744 121.015 120.200 0.118 0.000 2.293 178 E HA 0.533 4.874 4.350 -0.015 0.000 0.270 178 E C -1.209 175.480 176.600 0.149 0.000 0.879 178 E CA -1.136 55.331 56.400 0.111 0.000 0.756 178 E CB 1.871 31.657 29.700 0.143 0.000 1.208 178 E HN 0.589 nan 8.360 nan 0.000 0.428 179 A N 2.283 125.147 122.820 0.073 0.000 2.520 179 A HA 0.015 4.326 4.320 -0.015 0.000 0.245 179 A C -0.030 177.719 177.584 0.275 0.000 1.072 179 A CA 0.151 52.234 52.037 0.075 0.000 0.761 179 A CB 0.036 18.943 19.000 -0.156 0.000 1.004 179 A HN 0.580 nan 8.150 nan 0.000 0.499 180 D N 1.916 122.542 120.400 0.377 0.000 2.494 180 D HA 0.159 4.790 4.640 -0.015 0.000 0.217 180 D C -0.515 176.099 176.300 0.522 0.000 1.153 180 D CA -0.180 54.044 54.000 0.373 0.000 0.954 180 D CB 0.318 41.274 40.800 0.259 0.000 1.034 180 D HN 0.344 nan 8.370 nan 0.000 0.518 181 D N 3.874 124.538 120.400 0.440 0.000 2.688 181 D HA -0.015 4.616 4.640 -0.015 0.000 0.228 181 D C 1.001 177.404 176.300 0.171 0.000 1.116 181 D CA -0.491 53.666 54.000 0.262 0.000 1.023 181 D CB -0.163 40.773 40.800 0.226 0.000 1.100 181 D HN 0.591 nan 8.370 nan 0.000 0.487 182 W N 1.901 123.207 121.300 0.009 0.000 2.699 182 W HA -0.014 4.637 4.660 -0.015 0.000 0.249 182 W C 0.169 176.698 176.519 0.016 0.000 1.280 182 W CA 0.027 57.395 57.345 0.038 0.000 1.345 182 W CB -0.742 28.763 29.460 0.074 0.000 1.128 182 W HN 0.164 nan 8.180 nan 0.000 0.642 183 L N 0.906 121.757 121.223 -0.620 0.000 2.607 183 L HA 0.178 4.509 4.340 -0.015 0.000 0.228 183 L C 2.693 179.347 176.870 -0.359 0.000 1.123 183 L CA -0.066 54.382 54.840 -0.654 0.000 0.890 183 L CB -0.627 40.957 42.059 -0.792 0.000 1.103 183 L HN -0.111 nan 8.230 nan 0.000 0.468 184 R N 1.020 121.310 120.500 -0.350 0.000 2.159 184 R HA -0.248 4.083 4.340 -0.015 0.000 0.249 184 R C 0.933 176.909 176.300 -0.540 0.000 1.136 184 R CA 2.314 58.110 56.100 -0.507 0.000 0.951 184 R CB -0.209 29.626 30.300 -0.775 0.000 0.876 184 R HN 0.321 nan 8.270 nan 0.000 0.440 185 Y N -0.508 119.824 120.300 0.054 0.000 2.658 185 Y HA 0.419 4.960 4.550 -0.015 0.000 0.276 185 Y C 0.729 176.666 175.900 0.061 0.000 1.167 185 Y CA 0.084 58.210 58.100 0.043 0.000 1.230 185 Y CB 0.656 39.196 38.460 0.133 0.000 1.144 185 Y HN 0.446 nan 8.280 nan 0.000 0.529 186 G N 1.431 110.285 108.800 0.090 0.000 2.712 186 G HA2 -0.251 3.701 3.960 -0.015 0.000 0.683 186 G HA3 -0.251 3.701 3.960 -0.015 0.000 0.683 186 G C -0.927 174.070 174.900 0.162 0.000 1.320 186 G CA -0.582 44.570 45.100 0.087 0.000 0.847 186 G HN 0.484 nan 8.290 nan 0.000 0.553 187 N N 0.814 119.562 118.700 0.081 0.000 2.549 187 N HA 0.535 5.266 4.740 -0.015 0.000 0.281 187 N C -1.318 174.206 175.510 0.023 0.000 1.084 187 N CA -1.734 51.350 53.050 0.057 0.000 0.862 187 N CB 2.058 40.511 38.487 -0.057 0.000 1.333 187 N HN 0.322 nan 8.380 nan 0.000 0.523 188 P HA -0.008 nan 4.420 nan 0.000 0.237 188 P C 0.147 177.160 177.300 -0.479 0.000 1.178 188 P CA 0.553 63.369 63.100 -0.473 0.000 0.766 188 P CB 0.028 31.040 31.700 -1.146 0.000 0.876 189 W N 1.607 122.945 121.300 0.065 0.000 2.630 189 W HA 0.094 4.745 4.660 -0.014 0.000 0.271 189 W C 1.306 177.920 176.519 0.159 0.000 1.244 189 W CA -0.353 57.042 57.345 0.084 0.000 1.353 189 W CB -0.251 29.242 29.460 0.056 0.000 1.080 189 W HN -0.044 nan 8.180 nan 0.000 0.594 190 E N 1.809 122.226 120.200 0.362 0.000 2.371 190 E HA 0.345 4.686 4.350 -0.015 0.000 0.257 190 E C -0.531 176.269 176.600 0.334 0.000 1.134 190 E CA -0.531 56.086 56.400 0.361 0.000 0.919 190 E CB 1.116 31.021 29.700 0.340 0.000 1.025 190 E HN -0.346 nan 8.360 nan 0.000 0.438 191 K N 0.849 121.443 120.400 0.322 0.000 2.652 191 K HA 0.401 4.712 4.320 -0.015 0.000 0.249 191 K C -1.401 175.206 176.600 0.011 0.000 0.986 191 K CA -0.335 56.045 56.287 0.155 0.000 0.867 191 K CB 1.615 34.172 32.500 0.095 0.000 1.201 191 K HN 0.689 nan 8.250 nan 0.000 0.450 192 A N 3.882 126.596 122.820 -0.177 0.000 2.445 192 A HA 0.514 4.826 4.320 -0.015 0.000 0.242 192 A C -0.391 177.011 177.584 -0.302 0.000 1.075 192 A CA -0.208 51.504 52.037 -0.541 0.000 0.777 192 A CB 0.288 18.765 19.000 -0.871 0.000 1.013 192 A HN 0.613 nan 8.150 nan 0.000 0.493 193 R N 2.592 122.937 120.500 -0.259 0.000 2.564 193 R HA 0.234 4.565 4.340 -0.015 0.000 0.282 193 R C -2.581 173.641 176.300 -0.130 0.000 1.573 193 R CA -1.741 54.252 56.100 -0.178 0.000 1.588 193 R CB 0.618 30.867 30.300 -0.086 0.000 1.154 193 R HN 0.432 nan 8.270 nan 0.000 0.606 194 P HA -0.245 nan 4.420 nan 0.000 0.217 194 P C 1.243 178.523 177.300 -0.034 0.000 1.151 194 P CA 1.300 64.358 63.100 -0.070 0.000 0.849 194 P CB 0.301 31.952 31.700 -0.081 0.000 0.787 195 E N -1.143 118.978 120.200 -0.132 0.000 2.333 195 E HA -0.172 4.169 4.350 -0.015 0.000 0.198 195 E C 0.735 177.320 176.600 -0.024 0.000 1.007 195 E CA 1.127 57.435 56.400 -0.153 0.000 0.845 195 E CB -0.846 28.659 29.700 -0.326 0.000 0.766 195 E HN 0.248 nan 8.360 nan 0.000 0.507 196 F N 1.780 121.756 119.950 0.045 0.000 2.639 196 F HA 0.257 4.775 4.527 -0.015 0.000 0.302 196 F C 0.460 176.386 175.800 0.209 0.000 1.097 196 F CA -0.739 57.328 58.000 0.111 0.000 1.294 196 F CB 0.014 39.073 39.000 0.098 0.000 1.027 196 F HN -0.267 nan 8.300 nan 0.000 0.550 197 T N 2.891 117.641 114.554 0.325 0.000 2.930 197 T HA 0.423 4.764 4.350 -0.015 0.000 0.306 197 T C 0.067 174.896 174.700 0.216 0.000 1.045 197 T CA 0.472 62.747 62.100 0.292 0.000 1.134 197 T CB 0.625 69.604 68.868 0.186 0.000 0.961 197 T HN -0.045 nan 8.240 nan 0.000 0.545 198 L N 4.690 125.997 121.223 0.140 0.000 2.393 198 L HA 0.540 4.872 4.340 -0.015 0.000 0.260 198 L C -2.397 174.439 176.870 -0.056 0.000 1.002 198 L CA -2.538 52.303 54.840 0.002 0.000 0.818 198 L CB 2.595 44.575 42.059 -0.131 0.000 1.369 198 L HN 0.390 nan 8.230 nan 0.000 0.412 199 P HA 0.259 nan 4.420 nan 0.000 0.292 199 P C -1.124 176.057 177.300 -0.197 0.000 1.287 199 P CA -0.379 62.643 63.100 -0.129 0.000 0.800 199 P CB 1.842 33.462 31.700 -0.133 0.000 0.945 200 V N 4.939 124.716 119.914 -0.228 0.000 2.417 200 V HA 0.275 4.387 4.120 -0.015 0.000 0.291 200 V C 0.396 176.222 176.094 -0.447 0.000 1.024 200 V CA -0.593 61.542 62.300 -0.276 0.000 0.861 200 V CB 0.862 32.583 31.823 -0.170 0.000 0.985 200 V HN 0.585 nan 8.190 nan 0.000 0.436 201 H N 4.640 123.483 119.070 -0.378 0.000 2.473 201 H HA 0.539 5.086 4.556 -0.015 0.000 0.327 201 H C -1.196 173.782 175.328 -0.585 0.000 1.105 201 H CA -0.098 55.648 56.048 -0.504 0.000 1.280 201 H CB 1.596 30.876 29.762 -0.802 0.000 1.450 201 H HN 0.436 nan 8.280 nan 0.000 0.492 202 F N 0.521 120.498 119.950 0.044 0.000 2.603 202 F HA 0.212 4.731 4.527 -0.015 0.000 0.317 202 F C -0.076 175.803 175.800 0.132 0.000 1.066 202 F CA -0.631 57.412 58.000 0.072 0.000 0.941 202 F CB 0.749 39.700 39.000 -0.082 0.000 1.291 202 F HN 0.564 nan 8.300 nan 0.000 0.472 203 Y N 0.150 120.731 120.300 0.469 0.000 2.896 203 Y HA 0.007 4.549 4.550 -0.015 0.000 0.466 203 Y C 1.375 177.496 175.900 0.368 0.000 1.196 203 Y CA 0.783 59.078 58.100 0.325 0.000 2.514 203 Y CB -1.847 36.726 38.460 0.188 0.000 1.231 203 Y HN 1.277 nan 8.280 nan 0.000 0.632 204 G N 0.471 109.520 108.800 0.414 0.000 2.584 204 G HA2 0.135 4.086 3.960 -0.015 0.000 0.229 204 G HA3 0.135 4.086 3.960 -0.015 0.000 0.229 204 G C -0.598 174.497 174.900 0.325 0.000 1.320 204 G CA 0.703 45.959 45.100 0.261 0.000 0.891 204 G HN 1.332 nan 8.290 nan 0.000 0.573 205 R N -2.472 118.217 120.500 0.315 0.000 2.766 205 R HA 0.762 5.093 4.340 -0.015 0.000 0.270 205 R C -1.498 174.963 176.300 0.267 0.000 1.035 205 R CA -0.889 55.359 56.100 0.247 0.000 0.911 205 R CB 1.349 31.737 30.300 0.148 0.000 1.243 205 R HN 0.982 nan 8.270 nan 0.000 0.460 206 V N 0.887 120.882 119.914 0.134 0.000 2.555 206 V HA 0.378 4.489 4.120 -0.015 0.000 0.302 206 V C -0.500 175.594 176.094 -0.000 0.000 1.038 206 V CA -0.611 61.711 62.300 0.037 0.000 0.887 206 V CB 1.519 33.296 31.823 -0.076 0.000 0.991 206 V HN 0.856 nan 8.190 nan 0.000 0.434 207 E N 4.208 124.370 120.200 -0.063 0.000 2.216 207 E HA 0.363 4.704 4.350 -0.015 0.000 0.260 207 E C -1.137 175.395 176.600 -0.114 0.000 0.880 207 E CA -0.764 55.620 56.400 -0.027 0.000 0.765 207 E CB 1.152 30.861 29.700 0.015 0.000 1.174 207 E HN 0.759 nan 8.360 nan 0.000 0.417 208 H N 4.537 123.621 119.070 0.023 0.000 2.969 208 H HA 0.089 4.636 4.556 -0.015 0.000 0.269 208 H C 0.680 176.016 175.328 0.013 0.000 1.223 208 H CA 0.247 56.303 56.048 0.014 0.000 1.400 208 H CB 0.866 30.631 29.762 0.005 0.000 1.500 208 H HN 0.727 nan 8.280 nan 0.000 0.486 209 T N -0.565 114.032 114.554 0.071 0.000 3.225 209 T HA 0.000 4.341 4.350 -0.015 0.000 0.347 209 T C 1.962 176.695 174.700 0.055 0.000 1.254 209 T CA 0.179 62.310 62.100 0.052 0.000 0.950 209 T CB 0.336 69.220 68.868 0.026 0.000 1.873 209 T HN 0.453 nan 8.240 nan 0.000 0.563 210 S N 0.379 116.101 115.700 0.037 0.000 2.406 210 S HA -0.135 4.326 4.470 -0.015 0.000 0.211 210 S C 1.131 175.753 174.600 0.036 0.000 1.045 210 S CA 1.122 59.341 58.200 0.032 0.000 1.058 210 S CB -0.985 62.230 63.200 0.024 0.000 1.044 210 S HN 0.772 nan 8.310 nan 0.000 0.413 211 Q N 1.738 121.557 119.800 0.032 0.000 2.441 211 Q HA 0.535 4.867 4.340 -0.015 0.000 0.234 211 Q C 0.171 176.194 176.000 0.038 0.000 1.078 211 Q CA 0.678 56.501 55.803 0.034 0.000 0.907 211 Q CB 0.112 28.866 28.738 0.026 0.000 1.269 211 Q HN 0.939 nan 8.270 nan 0.000 0.502 212 G N 1.845 110.680 108.800 0.058 0.000 2.685 212 G HA2 0.136 4.087 3.960 -0.015 0.000 0.387 212 G HA3 0.136 4.087 3.960 -0.015 0.000 0.387 212 G C -0.985 173.942 174.900 0.045 0.000 1.324 212 G CA -0.601 44.538 45.100 0.065 0.000 0.878 212 G HN 0.953 nan 8.290 nan 0.000 0.527 213 A N -0.179 122.628 122.820 -0.021 0.000 2.311 213 A HA 0.899 5.211 4.320 -0.015 0.000 0.334 213 A C 0.081 177.582 177.584 -0.139 0.000 1.139 213 A CA -0.252 51.650 52.037 -0.225 0.000 0.830 213 A CB 1.232 19.963 19.000 -0.448 0.000 1.234 213 A HN 0.904 nan 8.150 nan 0.000 0.483 214 K N 0.664 120.977 120.400 -0.146 0.000 2.482 214 K HA 0.210 4.521 4.320 -0.015 0.000 0.251 214 K C -1.951 174.670 176.600 0.037 0.000 0.936 214 K CA -0.339 55.923 56.287 -0.041 0.000 0.791 214 K CB 2.207 34.691 32.500 -0.027 0.000 1.213 214 K HN 0.687 nan 8.250 nan 0.000 0.428 215 W N 5.288 126.494 121.300 -0.157 0.000 2.357 215 W HA 0.330 4.981 4.660 -0.015 0.000 0.317 215 W C -0.533 175.922 176.519 -0.107 0.000 1.101 215 W CA -0.840 56.423 57.345 -0.138 0.000 1.380 215 W CB 0.175 29.536 29.460 -0.166 0.000 1.266 215 W HN 0.374 nan 8.180 nan 0.000 0.419 216 V N 2.774 122.715 119.914 0.045 0.000 3.158 216 V HA 0.624 4.735 4.120 -0.015 0.000 0.315 216 V C -0.129 175.910 176.094 -0.091 0.000 1.148 216 V CA -0.869 61.384 62.300 -0.078 0.000 1.042 216 V CB 1.983 33.798 31.823 -0.014 0.000 1.101 216 V HN 0.468 nan 8.190 nan 0.000 0.448 217 D N -0.192 120.148 120.400 -0.100 0.000 2.907 217 D HA -0.138 4.493 4.640 -0.015 0.000 0.226 217 D C 0.526 176.764 176.300 -0.102 0.000 1.141 217 D CA 1.526 55.479 54.000 -0.078 0.000 0.779 217 D CB -1.793 39.005 40.800 -0.003 0.000 1.095 217 D HN 1.337 nan 8.370 nan 0.000 0.430 218 T N -2.648 111.786 114.554 -0.200 0.000 2.899 218 T HA 0.501 4.842 4.350 -0.015 0.000 0.284 218 T C 0.394 175.023 174.700 -0.117 0.000 1.004 218 T CA -0.694 61.297 62.100 -0.183 0.000 1.043 218 T CB 1.883 70.490 68.868 -0.437 0.000 1.013 218 T HN 0.049 nan 8.240 nan 0.000 0.518 219 Q N 0.884 120.696 119.800 0.021 0.000 2.257 219 Q HA 0.589 4.920 4.340 -0.015 0.000 0.255 219 Q C -0.888 175.124 176.000 0.019 0.000 0.920 219 Q CA -0.960 54.866 55.803 0.038 0.000 0.927 219 Q CB 1.991 30.852 28.738 0.205 0.000 1.229 219 Q HN 0.524 nan 8.270 nan 0.000 0.433 220 V N 2.716 122.590 119.914 -0.068 0.000 2.547 220 V HA 0.492 4.603 4.120 -0.015 0.000 0.299 220 V C -0.230 175.879 176.094 0.025 0.000 1.040 220 V CA -0.693 61.526 62.300 -0.135 0.000 0.913 220 V CB 1.809 33.480 31.823 -0.253 0.000 0.992 220 V HN 0.503 nan 8.190 nan 0.000 0.449 221 V N 5.254 125.214 119.914 0.077 0.000 2.656 221 V HA 0.516 4.627 4.120 -0.015 0.000 0.307 221 V C -0.341 175.841 176.094 0.147 0.000 1.051 221 V CA -0.612 61.786 62.300 0.162 0.000 0.893 221 V CB 1.956 33.957 31.823 0.297 0.000 0.999 221 V HN 0.639 nan 8.190 nan 0.000 0.426 222 L N 3.105 124.426 121.223 0.163 0.000 2.343 222 L HA 0.834 5.165 4.340 -0.015 0.000 0.275 222 L C 0.336 177.403 176.870 0.328 0.000 1.056 222 L CA -0.520 54.422 54.840 0.170 0.000 0.804 222 L CB 1.625 43.765 42.059 0.134 0.000 1.203 222 L HN 0.768 nan 8.230 nan 0.000 0.440 223 A N 4.139 127.116 122.820 0.262 0.000 2.285 223 A HA 0.595 4.907 4.320 -0.015 0.000 0.310 223 A C -0.580 177.306 177.584 0.504 0.000 1.266 223 A CA -0.447 51.796 52.037 0.343 0.000 0.832 223 A CB 0.900 19.710 19.000 -0.316 0.000 1.163 223 A HN 0.765 nan 8.150 nan 0.000 0.499 224 M N 6.047 125.974 119.600 0.545 0.000 2.113 224 M HA 0.454 4.925 4.480 -0.015 0.000 0.352 224 M C -2.531 174.041 176.300 0.452 0.000 1.170 224 M CA -1.994 53.567 55.300 0.434 0.000 1.053 224 M CB 1.804 34.592 32.600 0.314 0.000 1.601 224 M HN 0.344 nan 8.290 nan 0.000 0.459 225 P HA 0.213 nan 4.420 nan 0.000 0.290 225 P C -1.945 175.315 177.300 -0.067 0.000 1.276 225 P CA 0.006 62.994 63.100 -0.186 0.000 0.808 225 P CB 0.431 31.788 31.700 -0.571 0.000 0.966 226 Y N 1.078 121.310 120.300 -0.112 0.000 2.328 226 Y HA 0.309 4.850 4.550 -0.015 0.000 0.336 226 Y C 0.425 176.326 175.900 0.002 0.000 0.960 226 Y CA -0.260 57.838 58.100 -0.004 0.000 1.134 226 Y CB 1.237 39.724 38.460 0.044 0.000 1.166 226 Y HN 0.244 nan 8.280 nan 0.000 0.464 227 D N 1.803 122.330 120.400 0.212 0.000 2.210 227 D HA 0.385 5.016 4.640 -0.015 0.000 0.249 227 D C -0.525 176.000 176.300 0.375 0.000 1.062 227 D CA -0.093 54.076 54.000 0.281 0.000 0.891 227 D CB 1.690 42.735 40.800 0.409 0.000 1.186 227 D HN 0.379 nan 8.370 nan 0.000 0.432 228 T N 2.859 117.533 114.554 0.201 0.000 2.848 228 T HA 0.446 4.787 4.350 -0.015 0.000 0.285 228 T C -2.580 171.956 174.700 -0.274 0.000 0.995 228 T CA -1.450 60.685 62.100 0.058 0.000 0.970 228 T CB 2.078 70.970 68.868 0.040 0.000 0.976 228 T HN 0.166 nan 8.240 nan 0.000 0.441 229 P HA 0.304 nan 4.420 nan 0.000 0.276 229 P C -0.958 176.027 177.300 -0.524 0.000 1.230 229 P CA -0.363 62.110 63.100 -1.044 0.000 0.776 229 P CB 0.780 31.662 31.700 -1.364 0.000 0.888 230 V N 5.794 125.449 119.914 -0.433 0.000 2.284 230 V HA 0.265 4.377 4.120 -0.015 0.000 0.274 230 V C -2.051 173.909 176.094 -0.225 0.000 1.023 230 V CA -1.895 60.245 62.300 -0.267 0.000 0.808 230 V CB 1.304 33.013 31.823 -0.190 0.000 1.035 230 V HN 0.538 nan 8.190 nan 0.000 0.445 231 P HA 0.287 nan 4.420 nan 0.000 0.287 231 P C 0.384 177.634 177.300 -0.084 0.000 1.281 231 P CA 0.264 63.278 63.100 -0.145 0.000 0.781 231 P CB 1.648 33.260 31.700 -0.146 0.000 0.903 232 G N 2.704 111.470 108.800 -0.057 0.000 2.634 232 G HA2 0.107 4.058 3.960 -0.015 0.000 0.255 232 G HA3 0.107 4.058 3.960 -0.015 0.000 0.255 232 G C -1.130 173.782 174.900 0.020 0.000 1.205 232 G CA -0.392 44.704 45.100 -0.007 0.000 0.884 232 G HN 0.461 nan 8.290 nan 0.000 0.549 233 Y N 0.950 121.212 120.300 -0.063 0.000 2.531 233 Y HA 0.216 4.757 4.550 -0.015 0.000 0.347 233 Y C 1.578 177.441 175.900 -0.062 0.000 1.024 233 Y CA -0.246 57.812 58.100 -0.069 0.000 1.306 233 Y CB 0.019 38.437 38.460 -0.070 0.000 1.149 233 Y HN 0.705 nan 8.280 nan 0.000 0.527 234 R N 3.133 123.306 120.500 -0.545 0.000 3.424 234 R HA -0.332 3.999 4.340 -0.015 0.000 0.247 234 R C -0.054 176.114 176.300 -0.219 0.000 1.000 234 R CA 1.370 57.203 56.100 -0.445 0.000 0.672 234 R CB -1.939 27.952 30.300 -0.682 0.000 1.042 234 R HN 0.919 nan 8.270 nan 0.000 0.470 235 N N -0.708 117.915 118.700 -0.129 0.000 2.235 235 N HA 0.060 4.791 4.740 -0.015 0.000 0.231 235 N C -0.307 175.162 175.510 -0.070 0.000 1.177 235 N CA -0.668 52.337 53.050 -0.075 0.000 0.874 235 N CB 0.516 38.983 38.487 -0.032 0.000 1.097 235 N HN 0.061 nan 8.380 nan 0.000 0.518 236 N N -0.157 118.496 118.700 -0.078 0.000 2.714 236 N HA -0.137 4.594 4.740 -0.015 0.000 0.250 236 N C -1.139 174.334 175.510 -0.063 0.000 1.117 236 N CA 0.605 53.617 53.050 -0.064 0.000 0.719 236 N CB -1.286 37.164 38.487 -0.062 0.000 1.081 236 N HN 0.235 nan 8.380 nan 0.000 0.557 237 V N 0.645 120.525 119.914 -0.057 0.000 2.483 237 V HA 0.584 4.695 4.120 -0.015 0.000 0.295 237 V C 0.412 176.471 176.094 -0.058 0.000 1.035 237 V CA -0.652 61.619 62.300 -0.048 0.000 0.896 237 V CB 2.459 34.275 31.823 -0.011 0.000 0.986 237 V HN -0.049 nan 8.190 nan 0.000 0.447 238 V N 4.755 124.631 119.914 -0.063 0.000 2.462 238 V HA 0.455 4.566 4.120 -0.015 0.000 0.288 238 V C -0.250 175.778 176.094 -0.110 0.000 1.020 238 V CA -0.834 61.389 62.300 -0.129 0.000 0.857 238 V CB 1.508 33.234 31.823 -0.161 0.000 1.013 238 V HN 0.838 nan 8.190 nan 0.000 0.431 239 N N 1.774 120.397 118.700 -0.128 0.000 2.495 239 N HA 0.609 5.340 4.740 -0.015 0.000 0.294 239 N C -0.073 175.348 175.510 -0.149 0.000 1.276 239 N CA -0.300 52.696 53.050 -0.090 0.000 0.973 239 N CB 1.190 39.610 38.487 -0.111 0.000 1.143 239 N HN 0.606 nan 8.380 nan 0.000 0.589 240 T N 0.710 115.209 114.554 -0.090 0.000 2.876 240 T HA 0.406 4.747 4.350 -0.015 0.000 0.289 240 T C -0.534 174.107 174.700 -0.098 0.000 1.014 240 T CA -0.500 61.590 62.100 -0.016 0.000 0.986 240 T CB 1.179 70.199 68.868 0.253 0.000 1.021 240 T HN 0.257 nan 8.240 nan 0.000 0.458 241 M N 3.510 123.027 119.600 -0.139 0.000 2.072 241 M HA 0.479 4.950 4.480 -0.015 0.000 0.331 241 M C -0.484 175.691 176.300 -0.209 0.000 1.004 241 M CA -0.753 54.390 55.300 -0.260 0.000 0.952 241 M CB 0.588 32.987 32.600 -0.334 0.000 1.511 241 M HN 0.453 nan 8.290 nan 0.000 0.422 242 R N 5.955 126.259 120.500 -0.327 0.000 2.215 242 R HA 0.538 4.869 4.340 -0.015 0.000 0.337 242 R C -1.762 174.328 176.300 -0.349 0.000 1.010 242 R CA -0.336 55.558 56.100 -0.344 0.000 0.871 242 R CB 0.584 30.578 30.300 -0.512 0.000 1.134 242 R HN 0.765 nan 8.270 nan 0.000 0.477 243 L N 5.084 126.172 121.223 -0.224 0.000 2.295 243 L HA 0.462 4.793 4.340 -0.015 0.000 0.285 243 L C -0.587 176.211 176.870 -0.119 0.000 1.035 243 L CA -0.911 53.866 54.840 -0.105 0.000 0.806 243 L CB 1.200 43.282 42.059 0.038 0.000 1.214 243 L HN 0.554 nan 8.230 nan 0.000 0.426 244 W N 1.942 123.337 121.300 0.158 0.000 2.316 244 W HA 0.415 5.066 4.660 -0.015 0.000 0.321 244 W C 0.571 177.275 176.519 0.308 0.000 1.203 244 W CA -0.125 57.307 57.345 0.145 0.000 1.214 244 W CB 1.283 30.613 29.460 -0.216 0.000 1.169 244 W HN 0.345 nan 8.180 nan 0.000 0.561 245 S N 1.807 117.894 115.700 0.644 0.000 2.482 245 S HA 0.779 5.240 4.470 -0.015 0.000 0.303 245 S C -0.516 174.466 174.600 0.637 0.000 1.091 245 S CA -0.709 57.801 58.200 0.517 0.000 1.057 245 S CB 0.601 64.054 63.200 0.422 0.000 1.031 245 S HN 0.522 nan 8.310 nan 0.000 0.485 246 A N 4.952 128.022 122.820 0.416 0.000 2.301 246 A HA 0.734 5.046 4.320 -0.015 0.000 0.298 246 A C -0.457 177.230 177.584 0.172 0.000 1.185 246 A CA -0.509 51.666 52.037 0.231 0.000 0.830 246 A CB 0.402 19.217 19.000 -0.308 0.000 1.112 246 A HN 0.669 nan 8.150 nan 0.000 0.508 247 K N 1.201 121.715 120.400 0.190 0.000 2.375 247 K HA 0.662 4.973 4.320 -0.015 0.000 0.249 247 K C -0.326 176.336 176.600 0.103 0.000 0.942 247 K CA -0.520 55.849 56.287 0.138 0.000 0.806 247 K CB 2.097 34.691 32.500 0.157 0.000 1.227 247 K HN 0.767 nan 8.250 nan 0.000 0.430 248 A N 3.335 126.199 122.820 0.073 0.000 2.425 248 A HA 0.362 4.673 4.320 -0.015 0.000 0.249 248 A C -2.028 175.595 177.584 0.065 0.000 1.084 248 A CA -1.039 51.034 52.037 0.059 0.000 0.781 248 A CB -0.543 18.481 19.000 0.040 0.000 1.019 248 A HN 0.386 nan 8.150 nan 0.000 0.490 249 P HA -0.011 nan 4.420 nan 0.000 0.263 249 P C 0.237 177.572 177.300 0.058 0.000 1.195 249 P CA 0.056 63.194 63.100 0.064 0.000 0.762 249 P CB 0.224 31.967 31.700 0.071 0.000 0.799 250 N N 3.191 121.922 118.700 0.051 0.000 2.104 250 N HA -0.191 4.540 4.740 -0.015 0.000 0.190 250 N C 0.837 176.364 175.510 0.028 0.000 1.024 250 N CA 0.810 53.883 53.050 0.038 0.000 0.853 250 N CB -0.384 38.124 38.487 0.035 0.000 1.008 250 N HN 0.471 nan 8.380 nan 0.000 0.424 251 D N 1.511 121.936 120.400 0.042 0.000 1.761 251 D HA -0.176 4.455 4.640 -0.015 0.000 0.299 251 D C 1.469 177.779 176.300 0.016 0.000 1.042 251 D CA 0.345 54.363 54.000 0.030 0.000 0.906 251 D CB -0.991 39.856 40.800 0.079 0.000 1.328 251 D HN 0.088 nan 8.370 nan 0.000 0.486 252 F N 1.778 121.696 119.950 -0.054 0.000 2.225 252 F HA -0.231 4.287 4.527 -0.015 0.000 0.302 252 F C 2.298 178.051 175.800 -0.078 0.000 1.068 252 F CA 1.187 59.141 58.000 -0.077 0.000 1.327 252 F CB -0.526 38.447 39.000 -0.044 0.000 1.043 252 F HN 0.160 nan 8.300 nan 0.000 0.506 253 N N 0.424 119.214 118.700 0.151 0.000 2.011 253 N HA -0.232 4.499 4.740 -0.015 0.000 0.199 253 N C 1.738 177.264 175.510 0.027 0.000 1.047 253 N CA 2.035 55.140 53.050 0.091 0.000 0.863 253 N CB -0.383 38.135 38.487 0.053 0.000 1.056 253 N HN 0.234 nan 8.380 nan 0.000 0.427 254 L N 1.057 122.265 121.223 -0.025 0.000 2.492 254 L HA 0.068 4.399 4.340 -0.015 0.000 0.223 254 L C 1.525 178.301 176.870 -0.157 0.000 1.132 254 L CA 0.830 55.639 54.840 -0.052 0.000 0.850 254 L CB -0.031 42.018 42.059 -0.016 0.000 0.966 254 L HN -0.035 nan 8.230 nan 0.000 0.454 255 K N -0.361 119.871 120.400 -0.280 0.000 2.520 255 K HA 0.028 4.339 4.320 -0.015 0.000 0.205 255 K C 0.517 176.548 176.600 -0.949 0.000 1.035 255 K CA 0.179 56.088 56.287 -0.631 0.000 1.188 255 K CB 0.046 32.151 32.500 -0.659 0.000 0.894 255 K HN 0.096 nan 8.250 nan 0.000 0.497 256 D N -0.030 120.133 120.400 -0.396 0.000 2.349 256 D HA -0.038 4.593 4.640 -0.015 0.000 0.224 256 D C -0.498 175.829 176.300 0.045 0.000 1.029 256 D CA -0.138 53.829 54.000 -0.054 0.000 0.879 256 D CB -0.221 40.675 40.800 0.160 0.000 0.906 256 D HN 0.062 nan 8.370 nan 0.000 0.528 257 F N -0.470 119.475 119.950 -0.008 0.000 3.074 257 F HA -0.278 4.240 4.527 -0.015 0.000 0.287 257 F C 0.558 176.374 175.800 0.028 0.000 0.932 257 F CA 0.211 58.213 58.000 0.003 0.000 0.995 257 F CB -2.358 36.643 39.000 0.003 0.000 0.966 257 F HN 0.097 nan 8.300 nan 0.000 0.721 258 N N 0.205 118.989 118.700 0.139 0.000 2.518 258 N HA 0.387 5.119 4.740 -0.015 0.000 0.283 258 N C 0.098 175.662 175.510 0.091 0.000 1.119 258 N CA -0.163 52.951 53.050 0.106 0.000 0.983 258 N CB 1.720 40.249 38.487 0.070 0.000 1.139 258 N HN 0.145 nan 8.380 nan 0.000 0.465 259 V N 3.710 123.670 119.914 0.077 0.000 2.993 259 V HA 0.326 4.437 4.120 -0.015 0.000 0.377 259 V C 1.100 177.224 176.094 0.049 0.000 1.318 259 V CA -0.015 62.323 62.300 0.064 0.000 1.312 259 V CB -0.156 31.700 31.823 0.056 0.000 1.342 259 V HN 0.850 nan 8.190 nan 0.000 0.544 260 G N 0.234 109.061 108.800 0.046 0.000 3.126 260 G HA2 0.521 4.473 3.960 -0.015 0.000 0.224 260 G HA3 0.521 4.473 3.960 -0.015 0.000 0.224 260 G C 0.720 175.640 174.900 0.034 0.000 1.142 260 G CA 0.358 45.478 45.100 0.033 0.000 0.759 260 G HN 1.271 nan 8.290 nan 0.000 0.550 261 G N -1.353 107.478 108.800 0.052 0.000 2.592 261 G HA2 -0.070 3.881 3.960 -0.015 0.000 0.685 261 G HA3 -0.070 3.881 3.960 -0.015 0.000 0.685 261 G C -0.002 174.953 174.900 0.091 0.000 1.278 261 G CA 0.036 45.178 45.100 0.070 0.000 0.822 261 G HN 0.408 nan 8.290 nan 0.000 0.652 262 Y N 2.116 122.419 120.300 0.005 0.000 2.163 262 Y HA 0.008 4.549 4.550 -0.015 0.000 0.288 262 Y C 2.595 178.496 175.900 0.001 0.000 1.136 262 Y CA 2.227 60.327 58.100 0.000 0.000 1.147 262 Y CB -0.047 38.412 38.460 -0.002 0.000 0.987 262 Y HN 0.481 nan 8.280 nan 0.000 0.509 263 I N 0.565 121.056 120.570 -0.132 0.000 2.127 263 I HA -0.299 3.862 4.170 -0.015 0.000 0.241 263 I C 2.384 178.385 176.117 -0.192 0.000 1.075 263 I CA 1.775 62.934 61.300 -0.234 0.000 1.334 263 I CB -1.462 36.517 38.000 -0.034 0.000 1.040 263 I HN 0.307 nan 8.210 nan 0.000 0.405 264 Q N 1.228 120.973 119.800 -0.091 0.000 2.096 264 Q HA -0.144 4.187 4.340 -0.015 0.000 0.204 264 Q C 2.231 178.180 176.000 -0.084 0.000 0.982 264 Q CA 2.420 58.184 55.803 -0.065 0.000 0.850 264 Q CB -0.498 28.225 28.738 -0.025 0.000 0.901 264 Q HN 0.489 nan 8.270 nan 0.000 0.422 265 A N -0.875 121.887 122.820 -0.097 0.000 1.978 265 A HA -0.133 4.178 4.320 -0.015 0.000 0.220 265 A C 2.256 179.763 177.584 -0.128 0.000 1.170 265 A CA 1.677 53.662 52.037 -0.086 0.000 0.636 265 A CB -0.640 18.324 19.000 -0.060 0.000 0.810 265 A HN 0.269 nan 8.150 nan 0.000 0.448 266 V N -0.065 119.708 119.914 -0.236 0.000 2.379 266 V HA -0.176 3.935 4.120 -0.015 0.000 0.245 266 V C 2.482 178.499 176.094 -0.128 0.000 1.044 266 V CA 1.599 63.764 62.300 -0.225 0.000 1.036 266 V CB -0.639 30.953 31.823 -0.385 0.000 0.664 266 V HN 0.565 nan 8.190 nan 0.000 0.453 267 L N -0.143 121.009 121.223 -0.118 0.000 2.131 267 L HA -0.171 4.160 4.340 -0.015 0.000 0.210 267 L C 2.062 178.906 176.870 -0.043 0.000 1.092 267 L CA 1.371 56.171 54.840 -0.067 0.000 0.759 267 L CB -0.669 41.356 42.059 -0.057 0.000 0.903 267 L HN 0.342 nan 8.230 nan 0.000 0.435 268 D N -0.067 120.305 120.400 -0.046 0.000 2.350 268 D HA -0.103 4.528 4.640 -0.015 0.000 0.216 268 D C 2.148 178.438 176.300 -0.017 0.000 0.968 268 D CA 0.556 54.541 54.000 -0.026 0.000 0.894 268 D CB -0.001 40.785 40.800 -0.023 0.000 0.909 268 D HN 0.141 nan 8.370 nan 0.000 0.520 269 R N 0.176 120.663 120.500 -0.022 0.000 2.193 269 R HA -0.044 4.287 4.340 -0.015 0.000 0.229 269 R C 1.564 177.865 176.300 0.002 0.000 1.110 269 R CA 0.486 56.582 56.100 -0.006 0.000 0.988 269 R CB 0.016 30.310 30.300 -0.010 0.000 0.871 269 R HN 0.147 nan 8.270 nan 0.000 0.458 270 N N 0.886 119.585 118.700 -0.001 0.000 2.104 270 N HA -0.168 4.563 4.740 -0.015 0.000 0.190 270 N C 1.751 177.264 175.510 0.005 0.000 1.024 270 N CA 1.149 54.203 53.050 0.008 0.000 0.853 270 N CB -0.234 38.257 38.487 0.007 0.000 1.008 270 N HN 0.210 nan 8.380 nan 0.000 0.424 271 L N 0.601 121.823 121.223 -0.002 0.000 1.997 271 L HA -0.223 4.108 4.340 -0.015 0.000 0.216 271 L C 2.377 179.235 176.870 -0.021 0.000 1.074 271 L CA 1.680 56.515 54.840 -0.007 0.000 0.763 271 L CB -0.632 41.424 42.059 -0.005 0.000 0.890 271 L HN 0.155 nan 8.230 nan 0.000 0.434 272 A N -0.380 122.430 122.820 -0.017 0.000 1.968 272 A HA -0.148 4.163 4.320 -0.015 0.000 0.217 272 A C 2.031 179.578 177.584 -0.061 0.000 1.169 272 A CA 1.204 53.220 52.037 -0.034 0.000 0.638 272 A CB -0.339 18.665 19.000 0.007 0.000 0.812 272 A HN 0.513 nan 8.150 nan 0.000 0.446 273 E N 0.063 120.248 120.200 -0.025 0.000 2.482 273 E HA -0.058 4.283 4.350 -0.015 0.000 0.196 273 E C 0.757 177.345 176.600 -0.019 0.000 1.047 273 E CA 0.091 56.480 56.400 -0.019 0.000 0.869 273 E CB -0.158 29.556 29.700 0.024 0.000 0.836 273 E HN 0.438 nan 8.360 nan 0.000 0.520 274 N N 1.078 119.765 118.700 -0.020 0.000 2.459 274 N HA -0.027 4.704 4.740 -0.015 0.000 0.181 274 N C 1.601 177.105 175.510 -0.010 0.000 1.046 274 N CA 0.446 53.502 53.050 0.009 0.000 0.904 274 N CB 0.019 38.509 38.487 0.005 0.000 0.964 274 N HN 0.268 nan 8.380 nan 0.000 0.444 275 I N 0.069 120.574 120.570 -0.109 0.000 2.335 275 I HA -0.211 3.950 4.170 -0.015 0.000 0.251 275 I C 1.250 177.318 176.117 -0.082 0.000 1.129 275 I CA 1.115 62.312 61.300 -0.173 0.000 1.402 275 I CB -0.163 37.560 38.000 -0.462 0.000 1.069 275 I HN 0.117 nan 8.210 nan 0.000 0.424 276 S N -0.583 115.083 115.700 -0.058 0.000 2.588 276 S HA 0.228 4.689 4.470 -0.015 0.000 0.245 276 S C 1.353 176.090 174.600 0.228 0.000 1.021 276 S CA -0.644 57.616 58.200 0.101 0.000 1.006 276 S CB 0.347 63.614 63.200 0.112 0.000 0.830 276 S HN 0.186 nan 8.310 nan 0.000 0.468 277 R N 1.062 121.701 120.500 0.231 0.000 2.062 277 R HA 0.322 4.653 4.340 -0.015 0.000 0.226 277 R C 0.365 176.936 176.300 0.453 0.000 1.125 277 R CA 1.169 57.455 56.100 0.310 0.000 0.966 277 R CB -0.138 30.310 30.300 0.247 0.000 0.861 277 R HN 0.407 nan 8.270 nan 0.000 0.433 278 V N 0.601 120.716 119.914 0.335 0.000 2.851 278 V HA 0.362 4.473 4.120 -0.015 0.000 0.307 278 V C -1.558 174.476 176.094 -0.099 0.000 1.129 278 V CA -1.380 61.035 62.300 0.190 0.000 0.932 278 V CB 1.759 33.612 31.823 0.049 0.000 1.024 278 V HN 0.177 nan 8.190 nan 0.000 0.426 279 L N 6.911 127.823 121.223 -0.518 0.000 2.410 279 L HA 0.453 4.784 4.340 -0.015 0.000 0.273 279 L C -0.807 175.871 176.870 -0.320 0.000 1.152 279 L CA 0.491 54.802 54.840 -0.881 0.000 0.855 279 L CB 0.396 41.825 42.059 -1.050 0.000 1.129 279 L HN 0.689 nan 8.230 nan 0.000 0.463 280 Y N 6.808 127.021 120.300 -0.144 0.000 2.544 280 Y HA 0.194 4.735 4.550 -0.015 0.000 0.330 280 Y C -1.372 174.514 175.900 -0.024 0.000 1.136 280 Y CA -1.134 56.945 58.100 -0.034 0.000 1.417 280 Y CB 0.433 38.891 38.460 -0.003 0.000 1.229 280 Y HN 0.583 nan 8.280 nan 0.000 0.532 281 P HA 0.014 nan 4.420 nan 0.000 0.249 281 P C -0.884 176.552 177.300 0.227 0.000 1.593 281 P CA 0.130 63.343 63.100 0.188 0.000 0.896 281 P CB 0.017 31.916 31.700 0.332 0.000 1.581 282 N N 1.556 120.385 118.700 0.216 0.000 2.469 282 N HA 0.110 4.841 4.740 -0.015 0.000 0.239 282 N C -0.519 175.135 175.510 0.240 0.000 1.053 282 N CA 0.098 53.293 53.050 0.241 0.000 0.937 282 N CB 0.446 39.044 38.487 0.186 0.000 1.163 282 N HN 0.119 nan 8.380 nan 0.000 0.509 283 D N 1.142 121.714 120.400 0.287 0.000 2.295 283 D HA 0.176 4.807 4.640 -0.015 0.000 0.248 283 D C -0.246 176.329 176.300 0.458 0.000 1.154 283 D CA -0.193 54.000 54.000 0.322 0.000 0.857 283 D CB 0.190 41.194 40.800 0.340 0.000 1.117 283 D HN 0.350 nan 8.370 nan 0.000 0.468 284 N N 2.388 121.291 118.700 0.338 0.000 2.716 284 N HA -0.253 4.478 4.740 -0.015 0.000 0.250 284 N C -1.427 174.327 175.510 0.407 0.000 1.033 284 N CA 0.594 53.824 53.050 0.301 0.000 0.727 284 N CB -0.810 37.782 38.487 0.174 0.000 0.950 284 N HN 0.279 nan 8.380 nan 0.000 0.541 285 F N 0.602 120.651 119.950 0.165 0.000 2.605 285 F HA 0.461 4.980 4.527 -0.015 0.000 0.320 285 F C -1.561 174.300 175.800 0.101 0.000 1.159 285 F CA -1.830 56.234 58.000 0.106 0.000 0.999 285 F CB 0.814 39.831 39.000 0.028 0.000 1.258 285 F HN -0.035 nan 8.300 nan 0.000 0.464 286 F N 6.107 125.703 119.950 -0.590 0.000 2.411 286 F HA 0.490 5.008 4.527 -0.015 0.000 0.355 286 F C -0.379 174.844 175.800 -0.962 0.000 1.117 286 F CA -0.153 57.453 58.000 -0.657 0.000 1.139 286 F CB 0.710 39.438 39.000 -0.453 0.000 1.120 286 F HN 0.592 nan 8.300 nan 0.000 0.493 287 E N 3.946 123.259 120.200 -1.480 0.000 2.182 287 E HA 0.313 4.654 4.350 -0.015 0.000 0.258 287 E C 0.112 175.880 176.600 -1.387 0.000 0.879 287 E CA -0.691 54.980 56.400 -1.214 0.000 0.754 287 E CB 1.158 30.459 29.700 -0.665 0.000 1.162 287 E HN 0.940 nan 8.360 nan 0.000 0.419 288 G N 5.170 113.181 108.800 -1.314 0.000 3.180 288 G HA2 -0.042 3.909 3.960 -0.015 0.000 0.252 288 G HA3 -0.042 3.909 3.960 -0.015 0.000 0.252 288 G C 0.113 174.952 174.900 -0.100 0.000 0.871 288 G CA -0.063 44.571 45.100 -0.778 0.000 1.979 288 G HN 0.206 nan 8.290 nan 0.000 0.624 289 K N 0.757 121.086 120.400 -0.119 0.000 2.258 289 K HA 0.117 4.428 4.320 -0.015 0.000 0.284 289 K C 1.038 177.710 176.600 0.119 0.000 1.051 289 K CA -0.435 55.850 56.287 -0.002 0.000 0.923 289 K CB 1.988 34.422 32.500 -0.111 0.000 1.046 289 K HN 0.488 nan 8.250 nan 0.000 0.474 290 E N 2.543 122.797 120.200 0.090 0.000 2.085 290 E HA -0.223 4.119 4.350 -0.015 0.000 0.194 290 E C 1.533 178.119 176.600 -0.023 0.000 0.994 290 E CA 1.030 57.432 56.400 0.004 0.000 0.801 290 E CB 0.168 29.883 29.700 0.025 0.000 0.743 290 E HN 0.450 nan 8.360 nan 0.000 0.453 291 L N 1.501 122.760 121.223 0.062 0.000 2.079 291 L HA -0.205 4.127 4.340 -0.015 0.000 0.210 291 L C 2.481 179.437 176.870 0.144 0.000 1.081 291 L CA 2.021 56.923 54.840 0.103 0.000 0.752 291 L CB -0.618 41.572 42.059 0.218 0.000 0.896 291 L HN 0.022 nan 8.230 nan 0.000 0.433 292 R N -0.319 120.235 120.500 0.091 0.000 2.073 292 R HA -0.189 4.143 4.340 -0.015 0.000 0.234 292 R C 2.174 178.514 176.300 0.066 0.000 1.134 292 R CA 2.162 58.278 56.100 0.026 0.000 0.952 292 R CB -1.199 28.917 30.300 -0.306 0.000 0.850 292 R HN 0.445 nan 8.270 nan 0.000 0.433 293 L N 0.898 122.032 121.223 -0.148 0.000 2.079 293 L HA -0.117 4.214 4.340 -0.015 0.000 0.210 293 L C 1.776 178.553 176.870 -0.155 0.000 1.081 293 L CA 1.927 56.464 54.840 -0.506 0.000 0.752 293 L CB -0.379 41.058 42.059 -1.037 0.000 0.896 293 L HN 0.195 nan 8.230 nan 0.000 0.433 294 K N -1.079 119.275 120.400 -0.077 0.000 2.057 294 K HA -0.168 4.144 4.320 -0.015 0.000 0.206 294 K C 2.101 178.828 176.600 0.211 0.000 1.050 294 K CA 1.726 58.021 56.287 0.012 0.000 0.935 294 K CB -0.179 32.145 32.500 -0.293 0.000 0.715 294 K HN 0.488 nan 8.250 nan 0.000 0.439 295 Q N 0.629 120.535 119.800 0.176 0.000 2.096 295 Q HA -0.211 4.120 4.340 -0.015 0.000 0.204 295 Q C 1.959 178.156 176.000 0.329 0.000 0.982 295 Q CA 1.551 57.527 55.803 0.288 0.000 0.850 295 Q CB -0.057 28.877 28.738 0.327 0.000 0.901 295 Q HN 0.384 nan 8.270 nan 0.000 0.422 296 E N -0.169 120.178 120.200 0.244 0.000 2.051 296 E HA -0.213 4.128 4.350 -0.015 0.000 0.192 296 E C 1.775 178.487 176.600 0.186 0.000 0.991 296 E CA 1.074 57.601 56.400 0.212 0.000 0.799 296 E CB -0.168 29.641 29.700 0.181 0.000 0.748 296 E HN 0.315 nan 8.360 nan 0.000 0.449 297 Y N 0.569 120.914 120.300 0.074 0.000 2.200 297 Y HA -0.234 4.307 4.550 -0.015 0.000 0.290 297 Y C 1.980 177.930 175.900 0.083 0.000 1.137 297 Y CA 1.031 59.139 58.100 0.013 0.000 1.163 297 Y CB -0.479 37.985 38.460 0.005 0.000 0.988 297 Y HN 0.023 nan 8.280 nan 0.000 0.518 298 F N -0.036 119.894 119.950 -0.033 0.000 2.063 298 F HA -0.302 4.216 4.527 -0.015 0.000 0.298 298 F C 2.261 177.895 175.800 -0.276 0.000 1.109 298 F CA 2.208 60.147 58.000 -0.103 0.000 1.212 298 F CB -1.038 38.041 39.000 0.132 0.000 0.973 298 F HN -0.109 nan 8.300 nan 0.000 0.480 299 V N -0.477 119.347 119.914 -0.150 0.000 2.343 299 V HA -0.286 3.826 4.120 -0.015 0.000 0.247 299 V C 2.412 178.310 176.094 -0.327 0.000 1.051 299 V CA 1.606 63.775 62.300 -0.218 0.000 1.036 299 V CB -0.650 31.243 31.823 0.118 0.000 0.654 299 V HN 0.303 nan 8.190 nan 0.000 0.451 300 V N 0.147 119.900 119.914 -0.270 0.000 2.261 300 V HA -0.251 3.860 4.120 -0.015 0.000 0.246 300 V C 2.698 178.529 176.094 -0.438 0.000 1.047 300 V CA 2.078 64.214 62.300 -0.274 0.000 1.015 300 V CB -1.154 30.581 31.823 -0.146 0.000 0.642 300 V HN 0.558 nan 8.190 nan 0.000 0.446 301 A N 0.037 122.446 122.820 -0.684 0.000 1.865 301 A HA -0.189 4.123 4.320 -0.015 0.000 0.217 301 A C 2.429 179.643 177.584 -0.618 0.000 1.191 301 A CA 2.537 54.181 52.037 -0.654 0.000 0.623 301 A CB -0.998 17.439 19.000 -0.937 0.000 0.826 301 A HN 0.589 nan 8.150 nan 0.000 0.444 302 A N -1.282 120.997 122.820 -0.901 0.000 1.858 302 A HA -0.097 4.214 4.320 -0.015 0.000 0.216 302 A C 2.332 179.354 177.584 -0.936 0.000 1.190 302 A CA 2.420 53.710 52.037 -1.245 0.000 0.617 302 A CB -1.477 16.094 19.000 -2.381 0.000 0.827 302 A HN 0.436 nan 8.150 nan 0.000 0.443 303 T N 0.220 114.324 114.554 -0.750 0.000 2.665 303 T HA -0.169 4.172 4.350 -0.015 0.000 0.268 303 T C 1.760 176.110 174.700 -0.583 0.000 1.035 303 T CA 1.794 63.545 62.100 -0.582 0.000 1.151 303 T CB -0.388 68.156 68.868 -0.539 0.000 0.862 303 T HN 0.211 nan 8.240 nan 0.000 0.438 304 L N 0.862 121.828 121.223 -0.428 0.000 2.131 304 L HA -0.048 4.283 4.340 -0.015 0.000 0.210 304 L C 2.641 179.379 176.870 -0.220 0.000 1.092 304 L CA 1.583 56.247 54.840 -0.293 0.000 0.759 304 L CB -0.678 41.261 42.059 -0.199 0.000 0.903 304 L HN 0.301 nan 8.230 nan 0.000 0.435 305 Q N -1.083 118.572 119.800 -0.242 0.000 2.079 305 Q HA -0.229 4.102 4.340 -0.015 0.000 0.200 305 Q C 1.795 177.725 176.000 -0.116 0.000 0.974 305 Q CA 1.595 57.307 55.803 -0.151 0.000 0.840 305 Q CB -0.068 28.562 28.738 -0.181 0.000 0.898 305 Q HN 0.420 nan 8.270 nan 0.000 0.430 306 D N 0.315 120.618 120.400 -0.160 0.000 2.117 306 D HA -0.104 4.527 4.640 -0.015 0.000 0.198 306 D C 1.612 177.811 176.300 -0.168 0.000 0.982 306 D CA 0.859 54.786 54.000 -0.121 0.000 0.828 306 D CB 0.022 40.842 40.800 0.034 0.000 0.967 306 D HN 0.162 nan 8.370 nan 0.000 0.464 307 I N 0.143 120.538 120.570 -0.292 0.000 2.179 307 I HA -0.227 3.934 4.170 -0.015 0.000 0.242 307 I C 2.296 178.432 176.117 0.031 0.000 1.088 307 I CA 0.726 61.828 61.300 -0.330 0.000 1.357 307 I CB -0.119 37.543 38.000 -0.563 0.000 1.051 307 I HN 0.051 nan 8.210 nan 0.000 0.409 308 I N 0.256 120.900 120.570 0.124 0.000 2.286 308 I HA -0.304 3.857 4.170 -0.015 0.000 0.248 308 I C 2.793 179.094 176.117 0.306 0.000 1.115 308 I CA 1.162 62.668 61.300 0.343 0.000 1.392 308 I CB -0.457 37.690 38.000 0.245 0.000 1.065 308 I HN 0.254 nan 8.210 nan 0.000 0.418 309 R N 1.431 122.015 120.500 0.139 0.000 2.070 309 R HA -0.225 4.107 4.340 -0.015 0.000 0.233 309 R C 2.452 178.819 176.300 0.113 0.000 1.137 309 R CA 1.822 57.985 56.100 0.105 0.000 0.945 309 R CB -0.301 30.016 30.300 0.027 0.000 0.845 309 R HN 0.175 nan 8.270 nan 0.000 0.430 310 R N -0.428 120.120 120.500 0.080 0.000 2.127 310 R HA -0.178 4.154 4.340 -0.015 0.000 0.238 310 R C 2.153 178.549 176.300 0.159 0.000 1.134 310 R CA 1.834 57.992 56.100 0.097 0.000 0.975 310 R CB -0.471 29.856 30.300 0.044 0.000 0.865 310 R HN 0.326 nan 8.270 nan 0.000 0.447 311 F N 0.973 120.962 119.950 0.065 0.000 2.146 311 F HA -0.039 4.479 4.527 -0.015 0.000 0.298 311 F C 1.648 177.487 175.800 0.065 0.000 1.096 311 F CA 1.477 59.512 58.000 0.059 0.000 1.275 311 F CB -0.057 39.065 39.000 0.202 0.000 1.008 311 F HN -0.137 nan 8.300 nan 0.000 0.480 312 K N -0.117 120.272 120.400 -0.019 0.000 2.211 312 K HA -0.036 4.275 4.320 -0.015 0.000 0.203 312 K C 1.615 178.176 176.600 -0.065 0.000 1.050 312 K CA 1.178 57.390 56.287 -0.126 0.000 0.945 312 K CB -0.201 32.328 32.500 0.048 0.000 0.732 312 K HN 0.122 nan 8.250 nan 0.000 0.451 313 S N 0.648 116.353 115.700 0.010 0.000 2.803 313 S HA 0.039 4.500 4.470 -0.015 0.000 0.228 313 S C 0.247 174.909 174.600 0.104 0.000 0.953 313 S CA 0.093 58.346 58.200 0.088 0.000 0.983 313 S CB 0.248 63.541 63.200 0.155 0.000 0.784 313 S HN 0.087 nan 8.310 nan 0.000 0.498 314 S N 1.469 117.131 115.700 -0.064 0.000 2.537 314 S HA 0.307 4.768 4.470 -0.015 0.000 0.246 314 S C 0.360 174.913 174.600 -0.078 0.000 1.036 314 S CA -0.508 57.600 58.200 -0.153 0.000 1.041 314 S CB -0.103 62.886 63.200 -0.351 0.000 0.799 314 S HN 0.478 nan 8.310 nan 0.000 0.456 315 K N 0.090 120.501 120.400 0.018 0.000 3.129 315 K HA -0.167 4.144 4.320 -0.015 0.000 0.273 315 K C -0.207 176.470 176.600 0.127 0.000 1.123 315 K CA 0.264 56.585 56.287 0.057 0.000 0.800 315 K CB -1.483 31.041 32.500 0.040 0.000 1.238 315 K HN 0.355 nan 8.250 nan 0.000 0.492 316 F N -1.005 118.824 119.950 -0.201 0.000 2.765 316 F HA 0.251 4.769 4.527 -0.014 0.000 0.302 316 F C 1.875 177.537 175.800 -0.230 0.000 1.111 316 F CA 0.672 58.502 58.000 -0.284 0.000 1.359 316 F CB 0.550 39.210 39.000 -0.566 0.000 1.097 316 F HN 0.214 nan 8.300 nan 0.000 0.577 317 G N -2.286 106.492 108.800 -0.036 0.000 2.796 317 G HA2 -0.071 3.880 3.960 -0.015 0.000 0.210 317 G HA3 -0.071 3.880 3.960 -0.015 0.000 0.210 317 G C 1.080 175.949 174.900 -0.053 0.000 1.146 317 G CA 0.308 45.375 45.100 -0.055 0.000 0.779 317 G HN 0.318 nan 8.290 nan 0.000 0.535 318 C N 1.359 120.636 119.300 -0.037 0.000 2.480 318 C HA 0.340 4.791 4.460 -0.015 0.000 0.317 318 C C 1.468 176.420 174.990 -0.064 0.000 1.300 318 C CA -0.733 58.267 59.018 -0.030 0.000 1.706 318 C CB -1.385 26.357 27.740 0.003 0.000 1.840 318 C HN 0.264 nan 8.230 nan 0.000 0.596 319 R N 1.241 121.659 120.500 -0.138 0.000 4.154 319 R HA 0.039 4.370 4.340 -0.015 0.000 0.186 319 R C 0.402 176.631 176.300 -0.120 0.000 1.750 319 R CA 0.038 56.023 56.100 -0.191 0.000 1.431 319 R CB -0.147 29.926 30.300 -0.378 0.000 1.383 319 R HN 0.570 nan 8.270 nan 0.000 0.788 320 D N 1.311 121.668 120.400 -0.072 0.000 2.078 320 D HA -0.076 4.555 4.640 -0.015 0.000 0.193 320 D C -1.572 174.701 176.300 -0.045 0.000 0.990 320 D CA 1.045 55.017 54.000 -0.047 0.000 0.827 320 D CB -0.570 40.213 40.800 -0.028 0.000 0.975 320 D HN 0.306 nan 8.370 nan 0.000 0.451 321 P HA 0.070 nan 4.420 nan 0.000 0.271 321 P C 0.250 177.524 177.300 -0.044 0.000 1.233 321 P CA 0.258 63.339 63.100 -0.033 0.000 0.764 321 P CB 1.423 33.109 31.700 -0.024 0.000 0.825 322 V N 0.559 120.454 119.914 -0.032 0.000 0.362 322 V HA -0.302 3.809 4.120 -0.015 0.000 0.090 322 V C 0.529 176.601 176.094 -0.036 0.000 2.832 322 V CA 1.819 64.101 62.300 -0.031 0.000 3.858 322 V CB -1.582 30.220 31.823 -0.035 0.000 1.109 322 V HN 1.022 nan 8.190 nan 0.000 1.166 323 R N -0.346 120.121 120.500 -0.055 0.000 4.826 323 R HA -0.065 4.266 4.340 -0.015 0.000 0.343 323 R C -0.315 175.928 176.300 -0.094 0.000 1.027 323 R CA 0.931 56.998 56.100 -0.055 0.000 1.316 323 R CB -1.131 29.155 30.300 -0.024 0.000 2.411 323 R HN 0.706 nan 8.270 nan 0.000 0.712 324 T N 4.607 119.102 114.554 -0.099 0.000 2.871 324 T HA 0.263 4.604 4.350 -0.015 0.000 0.296 324 T C 0.155 174.801 174.700 -0.089 0.000 0.998 324 T CA -0.066 61.942 62.100 -0.153 0.000 1.162 324 T CB -0.022 68.783 68.868 -0.104 0.000 0.947 324 T HN 0.411 nan 8.240 nan 0.000 0.536 325 N N 0.716 119.320 118.700 -0.160 0.000 2.571 325 N HA 0.420 5.151 4.740 -0.015 0.000 0.273 325 N C -0.696 174.835 175.510 0.034 0.000 1.340 325 N CA -0.729 52.327 53.050 0.011 0.000 0.789 325 N CB 1.730 40.226 38.487 0.015 0.000 1.514 325 N HN 0.433 nan 8.380 nan 0.000 0.499 326 F N 0.319 120.351 119.950 0.136 0.000 2.654 326 F HA 0.229 4.747 4.527 -0.015 0.000 0.303 326 F C 1.366 177.287 175.800 0.202 0.000 1.099 326 F CA -0.333 57.796 58.000 0.215 0.000 1.270 326 F CB 0.432 39.418 39.000 -0.022 0.000 1.024 326 F HN 0.313 nan 8.300 nan 0.000 0.548 327 D N 0.729 121.308 120.400 0.297 0.000 2.149 327 D HA -0.164 4.467 4.640 -0.015 0.000 0.198 327 D C 2.211 178.665 176.300 0.257 0.000 0.990 327 D CA 1.333 55.466 54.000 0.222 0.000 0.839 327 D CB -0.063 40.827 40.800 0.151 0.000 0.948 327 D HN 0.247 nan 8.370 nan 0.000 0.460 328 A N -0.656 122.387 122.820 0.373 0.000 2.251 328 A HA 0.048 4.359 4.320 -0.015 0.000 0.209 328 A C 1.622 179.413 177.584 0.345 0.000 1.187 328 A CA -0.251 52.013 52.037 0.379 0.000 0.823 328 A CB -0.704 18.616 19.000 0.533 0.000 0.846 328 A HN 0.117 nan 8.150 nan 0.000 0.486 329 F N 1.943 121.946 119.950 0.087 0.000 2.095 329 F HA -0.089 4.429 4.527 -0.014 0.000 0.298 329 F C -0.782 174.940 175.800 -0.131 0.000 1.104 329 F CA 2.134 59.968 58.000 -0.278 0.000 1.232 329 F CB -0.748 38.076 39.000 -0.293 0.000 0.987 329 F HN 0.198 nan 8.300 nan 0.000 0.475 330 P HA -0.100 nan 4.420 nan 0.000 0.223 330 P C 0.742 177.995 177.300 -0.079 0.000 1.151 330 P CA 1.548 64.617 63.100 -0.052 0.000 0.787 330 P CB -0.093 31.603 31.700 -0.006 0.000 0.788 331 D N -0.787 119.597 120.400 -0.026 0.000 2.347 331 D HA -0.019 4.612 4.640 -0.015 0.000 0.213 331 D C 1.361 177.629 176.300 -0.053 0.000 0.985 331 D CA 0.862 54.852 54.000 -0.018 0.000 0.879 331 D CB 0.121 40.940 40.800 0.031 0.000 0.919 331 D HN 0.282 nan 8.370 nan 0.000 0.526 332 K N -0.367 119.969 120.400 -0.107 0.000 2.425 332 K HA 0.179 4.490 4.320 -0.015 0.000 0.201 332 K C -0.201 176.264 176.600 -0.224 0.000 1.128 332 K CA 0.109 56.322 56.287 -0.123 0.000 1.000 332 K CB 2.133 34.628 32.500 -0.009 0.000 0.961 332 K HN -0.161 nan 8.250 nan 0.000 0.555 333 V N 1.181 120.873 119.914 -0.369 0.000 2.588 333 V HA 0.660 4.771 4.120 -0.015 0.000 0.304 333 V C -1.180 174.786 176.094 -0.212 0.000 1.042 333 V CA -1.125 60.949 62.300 -0.378 0.000 0.877 333 V CB 1.636 32.910 31.823 -0.916 0.000 0.996 333 V HN 0.087 nan 8.190 nan 0.000 0.425 334 A N 5.644 128.391 122.820 -0.122 0.000 2.343 334 A HA 0.903 5.215 4.320 -0.015 0.000 0.308 334 A C -1.013 176.594 177.584 0.038 0.000 1.092 334 A CA -0.407 51.606 52.037 -0.040 0.000 0.751 334 A CB 0.923 19.831 19.000 -0.152 0.000 1.203 334 A HN 0.773 nan 8.150 nan 0.000 0.452 335 I N 2.008 122.660 120.570 0.137 0.000 2.382 335 I HA 0.281 4.443 4.170 -0.015 0.000 0.285 335 I C -0.285 175.943 176.117 0.185 0.000 1.007 335 I CA -0.455 60.945 61.300 0.167 0.000 1.142 335 I CB 1.905 39.982 38.000 0.128 0.000 1.289 335 I HN 0.694 nan 8.210 nan 0.000 0.453 336 Q N 7.043 126.952 119.800 0.182 0.000 2.340 336 Q HA 0.489 4.820 4.340 -0.015 0.000 0.259 336 Q C -1.298 174.700 176.000 -0.003 0.000 0.964 336 Q CA -0.263 55.669 55.803 0.215 0.000 0.900 336 Q CB 1.157 30.152 28.738 0.428 0.000 1.228 336 Q HN 0.560 nan 8.270 nan 0.000 0.449 337 L N 3.702 124.972 121.223 0.078 0.000 2.283 337 L HA 0.375 4.706 4.340 -0.015 0.000 0.287 337 L C 0.224 177.138 176.870 0.073 0.000 1.073 337 L CA -0.689 54.186 54.840 0.058 0.000 0.822 337 L CB 0.478 42.618 42.059 0.135 0.000 1.186 337 L HN 0.547 nan 8.230 nan 0.000 0.436 338 N N 4.635 123.298 118.700 -0.062 0.000 2.508 338 N HA 0.049 4.780 4.740 -0.015 0.000 0.253 338 N C -0.101 175.446 175.510 0.062 0.000 1.145 338 N CA 0.573 53.654 53.050 0.053 0.000 0.973 338 N CB -0.170 38.287 38.487 -0.049 0.000 1.305 338 N HN 0.681 nan 8.380 nan 0.000 0.506 339 D N -0.031 120.515 120.400 0.244 0.000 3.905 339 D HA -0.218 4.413 4.640 -0.015 0.000 0.274 339 D C 0.233 176.665 176.300 0.220 0.000 2.034 339 D CA 1.567 55.700 54.000 0.222 0.000 1.180 339 D CB -0.638 39.940 40.800 -0.370 0.000 0.918 339 D HN 0.493 nan 8.370 nan 0.000 1.125 340 T N -2.485 112.116 114.554 0.078 0.000 3.086 340 T HA 0.162 4.503 4.350 -0.015 0.000 0.250 340 T C 1.627 176.426 174.700 0.165 0.000 1.074 340 T CA 1.191 63.288 62.100 -0.005 0.000 0.988 340 T CB -0.450 68.361 68.868 -0.095 0.000 0.988 340 T HN 0.481 nan 8.240 nan 0.000 0.530 341 H N 2.765 121.917 119.070 0.136 0.000 2.289 341 H HA -0.044 4.504 4.556 -0.015 0.000 0.294 341 H C -0.866 174.552 175.328 0.151 0.000 1.095 341 H CA 1.258 57.407 56.048 0.169 0.000 1.256 341 H CB -0.873 28.987 29.762 0.164 0.000 1.359 341 H HN 0.423 nan 8.280 nan 0.000 0.487 342 P HA 0.084 nan 4.420 nan 0.000 0.248 342 P C 0.658 178.004 177.300 0.077 0.000 1.708 342 P CA 0.325 63.509 63.100 0.140 0.000 1.062 342 P CB 0.284 32.055 31.700 0.119 0.000 1.562 343 S N -0.213 115.527 115.700 0.066 0.000 2.419 343 S HA -0.121 4.340 4.470 -0.015 0.000 0.233 343 S C 1.760 176.359 174.600 -0.001 0.000 1.016 343 S CA 0.752 58.948 58.200 -0.007 0.000 0.974 343 S CB -1.482 61.685 63.200 -0.055 0.000 0.786 343 S HN 0.143 nan 8.310 nan 0.000 0.492 344 L N 1.140 122.372 121.223 0.016 0.000 2.549 344 L HA 0.014 4.345 4.340 -0.015 0.000 0.230 344 L C 2.832 179.718 176.870 0.027 0.000 1.162 344 L CA 0.642 55.477 54.840 -0.007 0.000 0.834 344 L CB -0.690 41.347 42.059 -0.038 0.000 0.947 344 L HN 0.475 nan 8.230 nan 0.000 0.452 345 A N 0.130 122.961 122.820 0.018 0.000 2.019 345 A HA -0.162 4.149 4.320 -0.015 0.000 0.219 345 A C 2.119 179.708 177.584 0.007 0.000 1.164 345 A CA 1.135 53.175 52.037 0.005 0.000 0.644 345 A CB -0.298 18.699 19.000 -0.005 0.000 0.805 345 A HN 0.257 nan 8.150 nan 0.000 0.449 346 I N 0.623 121.200 120.570 0.011 0.000 2.110 346 I HA -0.117 4.044 4.170 -0.015 0.000 0.236 346 I C -0.286 175.865 176.117 0.056 0.000 1.068 346 I CA 1.273 62.584 61.300 0.018 0.000 1.333 346 I CB -2.392 35.631 38.000 0.038 0.000 1.054 346 I HN 0.214 nan 8.210 nan 0.000 0.402 347 P HA -0.174 nan 4.420 nan 0.000 0.218 347 P C 1.466 178.818 177.300 0.087 0.000 1.149 347 P CA 1.510 64.666 63.100 0.093 0.000 0.817 347 P CB 0.112 31.888 31.700 0.127 0.000 0.785 348 E N 0.407 120.712 120.200 0.175 0.000 2.031 348 E HA -0.173 4.169 4.350 -0.015 0.000 0.193 348 E C 1.951 178.551 176.600 -0.001 0.000 0.994 348 E CA 0.817 57.336 56.400 0.200 0.000 0.800 348 E CB -1.325 28.509 29.700 0.224 0.000 0.752 348 E HN -0.017 nan 8.360 nan 0.000 0.447 349 L N -0.000 121.193 121.223 -0.049 0.000 2.127 349 L HA -0.107 4.224 4.340 -0.015 0.000 0.211 349 L C 2.038 178.778 176.870 -0.218 0.000 1.089 349 L CA 1.775 56.529 54.840 -0.145 0.000 0.757 349 L CB -0.595 41.389 42.059 -0.125 0.000 0.899 349 L HN 0.273 nan 8.230 nan 0.000 0.434 350 M N -1.020 118.471 119.600 -0.181 0.000 2.156 350 M HA -0.131 4.341 4.480 -0.015 0.000 0.264 350 M C 2.387 178.516 176.300 -0.286 0.000 1.067 350 M CA 1.321 56.455 55.300 -0.277 0.000 1.131 350 M CB -1.024 31.407 32.600 -0.281 0.000 1.368 350 M HN 0.320 nan 8.290 nan 0.000 0.416 351 R N -0.132 120.235 120.500 -0.222 0.000 2.073 351 R HA -0.120 4.211 4.340 -0.015 0.000 0.234 351 R C 2.084 178.272 176.300 -0.185 0.000 1.134 351 R CA 1.524 57.491 56.100 -0.222 0.000 0.952 351 R CB -0.202 29.915 30.300 -0.304 0.000 0.850 351 R HN 0.165 nan 8.270 nan 0.000 0.433 352 V N 1.526 121.333 119.914 -0.178 0.000 2.261 352 V HA -0.274 3.837 4.120 -0.015 0.000 0.246 352 V C 2.435 178.366 176.094 -0.272 0.000 1.047 352 V CA 1.885 64.073 62.300 -0.187 0.000 1.015 352 V CB -0.415 31.294 31.823 -0.189 0.000 0.642 352 V HN 0.359 nan 8.190 nan 0.000 0.446 353 L N -0.679 120.317 121.223 -0.379 0.000 2.079 353 L HA -0.163 4.169 4.340 -0.015 0.000 0.210 353 L C 2.305 178.985 176.870 -0.317 0.000 1.081 353 L CA 1.187 55.737 54.840 -0.484 0.000 0.752 353 L CB -0.538 41.194 42.059 -0.545 0.000 0.896 353 L HN 0.225 nan 8.230 nan 0.000 0.433 354 V N -1.126 118.642 119.914 -0.243 0.000 2.436 354 V HA -0.131 3.980 4.120 -0.015 0.000 0.240 354 V C 1.955 178.001 176.094 -0.079 0.000 1.040 354 V CA 1.344 63.563 62.300 -0.136 0.000 1.052 354 V CB -0.244 31.519 31.823 -0.100 0.000 0.707 354 V HN 0.311 nan 8.190 nan 0.000 0.469 355 D N 0.377 120.723 120.400 -0.090 0.000 2.103 355 D HA -0.045 4.586 4.640 -0.015 0.000 0.199 355 D C 2.076 178.341 176.300 -0.059 0.000 0.978 355 D CA 1.378 55.341 54.000 -0.062 0.000 0.829 355 D CB -0.004 40.751 40.800 -0.074 0.000 0.981 355 D HN 0.322 nan 8.370 nan 0.000 0.464 356 L N 0.363 121.537 121.223 -0.081 0.000 2.221 356 L HA 0.089 4.420 4.340 -0.015 0.000 0.202 356 L C 1.798 178.636 176.870 -0.054 0.000 1.074 356 L CA 0.610 55.414 54.840 -0.060 0.000 0.795 356 L CB -0.131 41.892 42.059 -0.060 0.000 0.960 356 L HN -0.163 nan 8.230 nan 0.000 0.458 357 E N 0.711 120.846 120.200 -0.109 0.000 2.479 357 E HA 0.054 4.395 4.350 -0.015 0.000 0.193 357 E C 0.064 176.629 176.600 -0.057 0.000 1.049 357 E CA -0.123 56.226 56.400 -0.084 0.000 0.870 357 E CB 0.291 29.837 29.700 -0.256 0.000 0.944 357 E HN 0.289 nan 8.360 nan 0.000 0.492 358 R N 0.467 120.930 120.500 -0.061 0.000 3.516 358 R HA -0.196 4.136 4.340 -0.015 0.000 0.271 358 R C -0.345 175.942 176.300 -0.022 0.000 1.098 358 R CA 0.246 56.330 56.100 -0.026 0.000 0.732 358 R CB -2.095 28.206 30.300 0.003 0.000 1.152 358 R HN 0.038 nan 8.270 nan 0.000 0.455 359 L N 1.066 122.248 121.223 -0.069 0.000 2.453 359 L HA 0.157 4.489 4.340 -0.015 0.000 0.261 359 L C 0.860 177.727 176.870 -0.005 0.000 1.179 359 L CA 0.299 55.111 54.840 -0.048 0.000 0.813 359 L CB 0.503 42.489 42.059 -0.122 0.000 1.110 359 L HN -0.020 nan 8.230 nan 0.000 0.466 360 D N 0.372 120.793 120.400 0.035 0.000 2.372 360 D HA -0.096 4.535 4.640 -0.015 0.000 0.243 360 D C 0.806 177.180 176.300 0.123 0.000 1.121 360 D CA -0.111 53.944 54.000 0.091 0.000 0.898 360 D CB 0.549 41.405 40.800 0.093 0.000 1.202 360 D HN 0.489 nan 8.370 nan 0.000 0.428 361 W N 2.134 123.441 121.300 0.012 0.000 2.302 361 W HA -0.257 4.394 4.660 -0.015 0.000 0.320 361 W C 0.975 177.539 176.519 0.076 0.000 1.241 361 W CA 1.536 58.894 57.345 0.022 0.000 1.264 361 W CB -0.038 29.417 29.460 -0.009 0.000 1.154 361 W HN 0.371 nan 8.180 nan 0.000 0.483 362 D N 0.203 120.816 120.400 0.355 0.000 2.116 362 D HA -0.230 4.401 4.640 -0.015 0.000 0.193 362 D C 1.908 178.318 176.300 0.184 0.000 0.998 362 D CA 2.289 56.462 54.000 0.289 0.000 0.836 362 D CB -0.504 40.432 40.800 0.225 0.000 0.951 362 D HN 0.106 nan 8.370 nan 0.000 0.449 363 K N 0.821 121.288 120.400 0.111 0.000 2.097 363 K HA 0.012 4.323 4.320 -0.015 0.000 0.205 363 K C 1.821 178.427 176.600 0.010 0.000 1.050 363 K CA 1.348 57.675 56.287 0.067 0.000 0.938 363 K CB -0.348 32.184 32.500 0.054 0.000 0.718 363 K HN 0.023 nan 8.250 nan 0.000 0.442 364 A N 0.563 123.349 122.820 -0.056 0.000 1.933 364 A HA -0.178 4.134 4.320 -0.015 0.000 0.218 364 A C 2.191 179.701 177.584 -0.123 0.000 1.175 364 A CA 1.391 53.327 52.037 -0.169 0.000 0.628 364 A CB -1.144 17.681 19.000 -0.291 0.000 0.814 364 A HN 0.703 nan 8.150 nan 0.000 0.444 365 W N 0.717 121.841 121.300 -0.293 0.000 2.381 365 W HA -0.153 4.499 4.660 -0.014 0.000 0.301 365 W C 1.855 178.335 176.519 -0.065 0.000 1.205 365 W CA 1.667 58.889 57.345 -0.204 0.000 1.285 365 W CB -0.108 29.282 29.460 -0.117 0.000 1.133 365 W HN 0.529 nan 8.180 nan 0.000 0.521 366 E N 0.048 120.257 120.200 0.015 0.000 2.085 366 E HA -0.247 4.094 4.350 -0.015 0.000 0.194 366 E C 2.024 178.556 176.600 -0.114 0.000 0.994 366 E CA 1.908 58.277 56.400 -0.051 0.000 0.801 366 E CB -0.449 29.278 29.700 0.045 0.000 0.743 366 E HN 0.081 nan 8.360 nan 0.000 0.453 367 V N 0.861 120.725 119.914 -0.083 0.000 2.358 367 V HA -0.242 3.869 4.120 -0.015 0.000 0.246 367 V C 2.263 178.301 176.094 -0.093 0.000 1.047 367 V CA 2.072 64.343 62.300 -0.049 0.000 1.035 367 V CB -0.605 31.194 31.823 -0.039 0.000 0.658 367 V HN 0.343 nan 8.190 nan 0.000 0.452 368 T N 0.112 114.534 114.554 -0.220 0.000 2.674 368 T HA -0.168 4.173 4.350 -0.015 0.000 0.265 368 T C 1.956 176.468 174.700 -0.313 0.000 1.039 368 T CA 1.766 63.703 62.100 -0.271 0.000 1.150 368 T CB -0.263 68.373 68.868 -0.386 0.000 0.864 368 T HN 0.287 nan 8.240 nan 0.000 0.427 369 V N 1.364 120.969 119.914 -0.516 0.000 2.407 369 V HA -0.156 3.956 4.120 -0.015 0.000 0.248 369 V C 2.375 178.411 176.094 -0.095 0.000 1.055 369 V CA 1.556 63.630 62.300 -0.377 0.000 1.049 369 V CB -0.501 31.042 31.823 -0.466 0.000 0.662 369 V HN 0.442 nan 8.190 nan 0.000 0.455 370 K N -0.486 119.834 120.400 -0.134 0.000 2.288 370 K HA -0.085 4.226 4.320 -0.015 0.000 0.201 370 K C 2.119 178.629 176.600 -0.149 0.000 1.048 370 K CA 1.516 57.690 56.287 -0.188 0.000 0.956 370 K CB -0.130 32.288 32.500 -0.136 0.000 0.746 370 K HN 0.504 nan 8.250 nan 0.000 0.461 371 T N 0.183 114.733 114.554 -0.005 0.000 2.939 371 T HA 0.015 4.356 4.350 -0.015 0.000 0.254 371 T C 1.050 175.844 174.700 0.156 0.000 1.041 371 T CA 0.381 62.520 62.100 0.065 0.000 1.142 371 T CB 0.073 69.024 68.868 0.138 0.000 0.874 371 T HN 0.169 nan 8.240 nan 0.000 0.452 372 C N 1.898 121.285 119.300 0.145 0.000 2.382 372 C HA 0.891 5.342 4.460 -0.015 0.000 0.363 372 C C 0.515 175.608 174.990 0.170 0.000 1.213 372 C CA -1.273 57.833 59.018 0.147 0.000 2.363 372 C CB 0.279 28.045 27.740 0.042 0.000 2.397 372 C HN 0.604 nan 8.230 nan 0.000 0.573 373 A N 0.957 123.852 122.820 0.125 0.000 2.488 373 A HA 0.645 4.956 4.320 -0.015 0.000 0.295 373 A C -1.485 176.179 177.584 0.133 0.000 1.045 373 A CA -0.356 51.699 52.037 0.030 0.000 0.703 373 A CB 0.821 19.835 19.000 0.023 0.000 1.271 373 A HN 0.934 nan 8.150 nan 0.000 0.400 374 Y N 1.417 121.673 120.300 -0.075 0.000 2.387 374 Y HA 0.754 5.295 4.550 -0.014 0.000 0.336 374 Y C -0.351 175.543 175.900 -0.011 0.000 1.067 374 Y CA -0.580 57.495 58.100 -0.042 0.000 1.114 374 Y CB 1.988 40.386 38.460 -0.103 0.000 1.208 374 Y HN 0.555 nan 8.280 nan 0.000 0.458 375 T N 6.766 121.144 114.554 -0.293 0.000 2.792 375 T HA 0.249 4.590 4.350 -0.015 0.000 0.280 375 T C -0.896 173.388 174.700 -0.693 0.000 0.990 375 T CA -0.901 60.943 62.100 -0.427 0.000 0.960 375 T CB 0.495 69.349 68.868 -0.024 0.000 0.939 375 T HN 0.691 nan 8.240 nan 0.000 0.439 376 N N 1.475 119.767 118.700 -0.679 0.000 2.473 376 N HA 0.182 4.913 4.740 -0.015 0.000 0.291 376 N C -0.081 175.294 175.510 -0.225 0.000 1.083 376 N CA -0.369 52.520 53.050 -0.268 0.000 0.951 376 N CB 0.893 39.392 38.487 0.020 0.000 1.164 376 N HN 0.692 nan 8.380 nan 0.000 0.480 377 H N 0.588 119.675 119.070 0.027 0.000 3.058 377 H HA 0.170 4.718 4.556 -0.015 0.000 0.266 377 H C -0.248 174.972 175.328 -0.180 0.000 1.135 377 H CA -0.076 55.912 56.048 -0.099 0.000 1.174 377 H CB 1.146 30.877 29.762 -0.051 0.000 1.581 377 H HN 0.560 nan 8.280 nan 0.000 0.553 378 T N 0.078 114.650 114.554 0.030 0.000 2.827 378 T HA 0.211 4.552 4.350 -0.015 0.000 0.328 378 T C 0.356 175.100 174.700 0.073 0.000 1.598 378 T CA -0.249 61.840 62.100 -0.018 0.000 1.043 378 T CB 1.220 70.061 68.868 -0.046 0.000 1.447 378 T HN -0.058 nan 8.240 nan 0.000 0.491 379 V N 1.107 121.024 119.914 0.006 0.000 3.605 379 V HA 0.549 4.660 4.120 -0.015 0.000 0.284 379 V C 0.864 176.933 176.094 -0.041 0.000 1.386 379 V CA -0.053 62.228 62.300 -0.031 0.000 1.053 379 V CB -0.427 31.366 31.823 -0.050 0.000 0.857 379 V HN 0.715 nan 8.190 nan 0.000 0.436 380 L N 3.112 124.300 121.223 -0.058 0.000 2.513 380 L HA 0.178 4.510 4.340 -0.015 0.000 0.272 380 L C -0.582 176.304 176.870 0.028 0.000 1.187 380 L CA -0.861 53.967 54.840 -0.021 0.000 0.895 380 L CB 0.826 42.850 42.059 -0.057 0.000 1.147 380 L HN 0.146 nan 8.230 nan 0.000 0.483 381 P HA -0.187 nan 4.420 nan 0.000 0.218 381 P C 0.935 178.287 177.300 0.086 0.000 1.149 381 P CA 1.120 64.251 63.100 0.052 0.000 0.817 381 P CB 0.046 31.773 31.700 0.046 0.000 0.785 382 E N 0.320 120.606 120.200 0.144 0.000 2.472 382 E HA -0.048 4.293 4.350 -0.015 0.000 0.200 382 E C 1.558 178.325 176.600 0.279 0.000 1.046 382 E CA 0.980 57.529 56.400 0.249 0.000 0.871 382 E CB -0.646 29.253 29.700 0.331 0.000 0.806 382 E HN 0.196 nan 8.360 nan 0.000 0.533 383 A N 1.196 124.127 122.820 0.185 0.000 2.147 383 A HA 0.235 4.546 4.320 -0.015 0.000 0.211 383 A C 1.303 178.940 177.584 0.088 0.000 1.160 383 A CA -0.248 51.893 52.037 0.173 0.000 0.781 383 A CB -0.019 19.064 19.000 0.139 0.000 0.842 383 A HN 0.146 nan 8.150 nan 0.000 0.475 384 L N 1.305 122.531 121.223 0.006 0.000 2.349 384 L HA 0.211 4.542 4.340 -0.015 0.000 0.275 384 L C -0.172 176.400 176.870 -0.496 0.000 1.115 384 L CA -0.389 54.378 54.840 -0.122 0.000 0.820 384 L CB 0.770 42.797 42.059 -0.053 0.000 1.135 384 L HN 0.284 nan 8.230 nan 0.000 0.445 385 E N 3.437 123.217 120.200 -0.700 0.000 2.217 385 E HA 0.177 4.519 4.350 -0.015 0.000 0.279 385 E C -0.654 175.211 176.600 -1.224 0.000 1.068 385 E CA -0.168 55.304 56.400 -1.546 0.000 0.882 385 E CB 0.620 29.779 29.700 -0.901 0.000 1.039 385 E HN 0.326 nan 8.360 nan 0.000 0.418 386 R N 3.318 122.906 120.500 -1.520 0.000 2.513 386 R HA 0.200 4.531 4.340 -0.015 0.000 0.283 386 R C -1.401 174.731 176.300 -0.280 0.000 1.535 386 R CA -0.391 55.359 56.100 -0.584 0.000 1.315 386 R CB 0.464 30.581 30.300 -0.305 0.000 1.163 386 R HN 0.448 nan 8.270 nan 0.000 0.573 387 W N 4.467 125.713 121.300 -0.091 0.000 2.304 387 W HA 0.286 4.937 4.660 -0.015 0.000 0.313 387 W C -1.798 174.690 176.519 -0.050 0.000 1.323 387 W CA -2.186 55.176 57.345 0.029 0.000 1.223 387 W CB 0.541 29.991 29.460 -0.017 0.000 1.237 387 W HN 0.274 nan 8.180 nan 0.000 0.535 388 P HA -0.120 nan 4.420 nan 0.000 0.266 388 P C 0.881 178.122 177.300 -0.098 0.000 1.195 388 P CA 0.200 63.281 63.100 -0.032 0.000 0.768 388 P CB 0.645 32.188 31.700 -0.261 0.000 0.838 389 V N 1.718 121.624 119.914 -0.014 0.000 2.626 389 V HA -0.246 3.865 4.120 -0.015 0.000 0.252 389 V C 1.982 178.083 176.094 0.012 0.000 1.067 389 V CA 1.829 64.135 62.300 0.009 0.000 1.081 389 V CB -1.797 30.092 31.823 0.110 0.000 0.686 389 V HN 0.688 nan 8.190 nan 0.000 0.468 390 H N -0.293 118.829 119.070 0.087 0.000 2.389 390 H HA -0.063 4.484 4.556 -0.015 0.000 0.299 390 H C 2.128 177.497 175.328 0.068 0.000 1.081 390 H CA 1.750 57.845 56.048 0.078 0.000 1.345 390 H CB -0.207 29.603 29.762 0.079 0.000 1.393 390 H HN 0.464 nan 8.280 nan 0.000 0.520 391 L N 0.990 121.990 121.223 -0.371 0.000 2.056 391 L HA -0.061 4.270 4.340 -0.015 0.000 0.207 391 L C 2.741 179.546 176.870 -0.109 0.000 1.078 391 L CA 0.980 55.732 54.840 -0.148 0.000 0.749 391 L CB -0.465 41.477 42.059 -0.195 0.000 0.901 391 L HN 0.212 nan 8.230 nan 0.000 0.433 392 L N -1.169 119.970 121.223 -0.140 0.000 2.156 392 L HA -0.164 4.167 4.340 -0.015 0.000 0.208 392 L C 2.484 179.285 176.870 -0.114 0.000 1.095 392 L CA 1.065 55.803 54.840 -0.170 0.000 0.770 392 L CB -0.329 41.624 42.059 -0.177 0.000 0.914 392 L HN 0.379 nan 8.230 nan 0.000 0.439 393 E N -0.587 119.592 120.200 -0.035 0.000 2.072 393 E HA -0.172 4.170 4.350 -0.015 0.000 0.190 393 E C 1.915 178.552 176.600 0.061 0.000 0.982 393 E CA 1.532 57.942 56.400 0.016 0.000 0.803 393 E CB 0.214 29.962 29.700 0.081 0.000 0.755 393 E HN 0.364 nan 8.360 nan 0.000 0.453 394 T N 1.296 115.912 114.554 0.105 0.000 2.698 394 T HA -0.128 4.213 4.350 -0.015 0.000 0.260 394 T C 1.812 176.636 174.700 0.207 0.000 1.044 394 T CA 1.050 63.263 62.100 0.188 0.000 1.149 394 T CB -0.210 68.799 68.868 0.236 0.000 0.864 394 T HN 0.093 nan 8.240 nan 0.000 0.419 395 L N -0.038 121.211 121.223 0.044 0.000 2.109 395 L HA 0.275 4.606 4.340 -0.015 0.000 0.207 395 L C 0.426 177.240 176.870 -0.093 0.000 1.086 395 L CA 1.582 56.316 54.840 -0.177 0.000 0.760 395 L CB 0.036 41.930 42.059 -0.275 0.000 0.910 395 L HN 0.187 nan 8.230 nan 0.000 0.437 396 L N 0.437 121.573 121.223 -0.145 0.000 2.625 396 L HA 0.283 4.615 4.340 -0.015 0.000 0.255 396 L C -1.646 175.040 176.870 -0.307 0.000 1.493 396 L CA -1.056 53.617 54.840 -0.278 0.000 0.796 396 L CB 0.772 42.548 42.059 -0.472 0.000 1.064 396 L HN -0.079 nan 8.230 nan 0.000 0.516 397 P HA -0.243 nan 4.420 nan 0.000 0.216 397 P C 1.463 178.559 177.300 -0.340 0.000 1.154 397 P CA 1.332 64.317 63.100 -0.191 0.000 0.865 397 P CB 0.365 32.043 31.700 -0.037 0.000 0.789 398 R N -0.434 119.648 120.500 -0.697 0.000 2.090 398 R HA -0.126 4.206 4.340 -0.015 0.000 0.228 398 R C 2.353 178.309 176.300 -0.572 0.000 1.110 398 R CA 1.616 57.317 56.100 -0.666 0.000 0.973 398 R CB -1.665 28.049 30.300 -0.978 0.000 0.869 398 R HN 0.267 nan 8.270 nan 0.000 0.440 399 H N -0.745 117.987 119.070 -0.564 0.000 2.387 399 H HA -0.067 4.480 4.556 -0.015 0.000 0.299 399 H C 1.561 176.705 175.328 -0.306 0.000 1.090 399 H CA 1.619 57.423 56.048 -0.407 0.000 1.332 399 H CB -0.067 29.405 29.762 -0.484 0.000 1.386 399 H HN 0.122 nan 8.280 nan 0.000 0.516 400 L N 0.724 121.814 121.223 -0.222 0.000 2.141 400 L HA -0.149 4.182 4.340 -0.015 0.000 0.209 400 L C 1.821 178.495 176.870 -0.326 0.000 1.094 400 L CA 1.481 56.129 54.840 -0.321 0.000 0.763 400 L CB -0.313 41.574 42.059 -0.287 0.000 0.908 400 L HN 0.263 nan 8.230 nan 0.000 0.437 401 Q N -0.613 119.106 119.800 -0.136 0.000 2.079 401 Q HA -0.151 4.180 4.340 -0.015 0.000 0.200 401 Q C 2.285 178.309 176.000 0.039 0.000 0.974 401 Q CA 1.866 57.683 55.803 0.025 0.000 0.840 401 Q CB -0.156 28.611 28.738 0.049 0.000 0.898 401 Q HN 0.559 nan 8.270 nan 0.000 0.430 402 I N 0.472 121.050 120.570 0.012 0.000 2.394 402 I HA -0.244 3.917 4.170 -0.015 0.000 0.251 402 I C 2.110 178.306 176.117 0.131 0.000 1.136 402 I CA 0.924 62.324 61.300 0.167 0.000 1.425 402 I CB -0.092 37.959 38.000 0.085 0.000 1.079 402 I HN 0.195 nan 8.210 nan 0.000 0.425 403 I N -0.477 120.078 120.570 -0.024 0.000 2.315 403 I HA -0.298 3.863 4.170 -0.015 0.000 0.248 403 I C 2.340 178.456 176.117 -0.002 0.000 1.117 403 I CA 1.331 62.598 61.300 -0.055 0.000 1.404 403 I CB -0.290 37.600 38.000 -0.183 0.000 1.071 403 I HN 0.168 nan 8.210 nan 0.000 0.419 404 Y N 0.785 121.087 120.300 0.004 0.000 2.242 404 Y HA -0.233 4.308 4.550 -0.015 0.000 0.291 404 Y C 2.582 178.443 175.900 -0.064 0.000 1.137 404 Y CA 1.290 59.378 58.100 -0.021 0.000 1.181 404 Y CB -0.663 37.777 38.460 -0.034 0.000 0.989 404 Y HN 0.166 nan 8.280 nan 0.000 0.527 405 E N 0.410 120.642 120.200 0.053 0.000 2.107 405 E HA -0.121 4.220 4.350 -0.015 0.000 0.191 405 E C 2.095 178.612 176.600 -0.138 0.000 0.982 405 E CA 1.088 57.374 56.400 -0.189 0.000 0.809 405 E CB -0.541 28.831 29.700 -0.548 0.000 0.756 405 E HN 0.464 nan 8.360 nan 0.000 0.459 406 I N 0.671 121.254 120.570 0.023 0.000 2.163 406 I HA -0.298 3.864 4.170 -0.015 0.000 0.243 406 I C 2.247 178.351 176.117 -0.021 0.000 1.085 406 I CA 1.409 62.653 61.300 -0.092 0.000 1.347 406 I CB -0.348 37.590 38.000 -0.104 0.000 1.044 406 I HN 0.202 nan 8.210 nan 0.000 0.408 407 N N 0.683 119.427 118.700 0.074 0.000 2.084 407 N HA -0.276 4.456 4.740 -0.015 0.000 0.190 407 N C 1.858 177.462 175.510 0.156 0.000 1.030 407 N CA 1.613 54.767 53.050 0.173 0.000 0.849 407 N CB -0.192 38.415 38.487 0.200 0.000 1.012 407 N HN 0.291 nan 8.380 nan 0.000 0.423 408 Q N -0.035 119.801 119.800 0.061 0.000 2.077 408 Q HA -0.173 4.158 4.340 -0.015 0.000 0.206 408 Q C 1.973 177.968 176.000 -0.008 0.000 0.989 408 Q CA 1.699 57.503 55.803 0.002 0.000 0.853 408 Q CB -0.014 28.680 28.738 -0.074 0.000 0.907 408 Q HN 0.382 nan 8.270 nan 0.000 0.418 409 R N -0.910 119.567 120.500 -0.037 0.000 2.115 409 R HA -0.083 4.249 4.340 -0.015 0.000 0.226 409 R C 2.095 178.434 176.300 0.066 0.000 1.100 409 R CA 1.084 57.164 56.100 -0.034 0.000 0.980 409 R CB -0.259 29.977 30.300 -0.107 0.000 0.875 409 R HN 0.287 nan 8.270 nan 0.000 0.445 410 F N 1.289 121.230 119.950 -0.016 0.000 2.146 410 F HA -0.049 4.469 4.527 -0.015 0.000 0.298 410 F C 1.685 177.530 175.800 0.075 0.000 1.096 410 F CA 1.244 59.286 58.000 0.070 0.000 1.275 410 F CB -0.088 38.984 39.000 0.120 0.000 1.008 410 F HN -0.122 nan 8.300 nan 0.000 0.480 411 L N 0.193 121.437 121.223 0.035 0.000 2.362 411 L HA -0.174 4.157 4.340 -0.015 0.000 0.219 411 L C 1.705 178.521 176.870 -0.090 0.000 1.134 411 L CA 0.695 55.495 54.840 -0.067 0.000 0.807 411 L CB -0.731 41.357 42.059 0.050 0.000 0.927 411 L HN 0.171 nan 8.230 nan 0.000 0.447 412 N N 0.105 118.768 118.700 -0.062 0.000 2.300 412 N HA -0.071 4.660 4.740 -0.015 0.000 0.179 412 N C 1.869 177.334 175.510 -0.075 0.000 1.016 412 N CA 0.798 53.814 53.050 -0.056 0.000 0.876 412 N CB 0.011 38.473 38.487 -0.042 0.000 0.979 412 N HN 0.221 nan 8.380 nan 0.000 0.432 413 R N 0.031 120.469 120.500 -0.104 0.000 2.066 413 R HA 0.039 4.370 4.340 -0.015 0.000 0.232 413 R C 1.986 178.193 176.300 -0.154 0.000 1.131 413 R CA 0.811 56.846 56.100 -0.109 0.000 0.955 413 R CB -0.462 29.781 30.300 -0.095 0.000 0.851 413 R HN -0.004 nan 8.270 nan 0.000 0.432 414 V N 1.146 120.913 119.914 -0.245 0.000 2.287 414 V HA -0.289 3.822 4.120 -0.015 0.000 0.248 414 V C 2.426 178.518 176.094 -0.003 0.000 1.053 414 V CA 2.066 64.288 62.300 -0.130 0.000 1.027 414 V CB -0.724 30.957 31.823 -0.236 0.000 0.646 414 V HN 0.451 nan 8.190 nan 0.000 0.447 415 A N -0.085 122.708 122.820 -0.045 0.000 1.883 415 A HA -0.164 4.147 4.320 -0.015 0.000 0.217 415 A C 2.393 179.957 177.584 -0.034 0.000 1.186 415 A CA 2.261 54.288 52.037 -0.016 0.000 0.624 415 A CB -0.836 18.146 19.000 -0.029 0.000 0.822 415 A HN 0.608 nan 8.150 nan 0.000 0.444 416 A N -0.630 122.149 122.820 -0.068 0.000 2.015 416 A HA 0.265 4.576 4.320 -0.015 0.000 0.219 416 A C 2.377 179.871 177.584 -0.151 0.000 1.163 416 A CA 1.801 53.786 52.037 -0.086 0.000 0.646 416 A CB -0.702 18.254 19.000 -0.075 0.000 0.806 416 A HN 0.977 nan 8.150 nan 0.000 0.448 417 A N -1.325 121.359 122.820 -0.226 0.000 1.930 417 A HA 0.330 4.641 4.320 -0.015 0.000 0.215 417 A C 0.499 177.621 177.584 -0.770 0.000 1.176 417 A CA 0.614 52.342 52.037 -0.515 0.000 0.632 417 A CB -0.189 18.441 19.000 -0.616 0.000 0.819 417 A HN 0.432 nan 8.150 nan 0.000 0.445 418 F N 0.050 119.956 119.950 -0.074 0.000 2.531 418 F HA 0.354 4.872 4.527 -0.015 0.000 0.333 418 F C -2.767 172.998 175.800 -0.058 0.000 1.292 418 F CA -2.913 55.048 58.000 -0.066 0.000 1.184 418 F CB 0.786 39.739 39.000 -0.079 0.000 1.426 418 F HN -0.063 nan 8.300 nan 0.000 0.559 419 P HA 0.187 nan 4.420 nan 0.000 0.263 419 P C 1.016 178.338 177.300 0.037 0.000 1.195 419 P CA 1.115 64.230 63.100 0.024 0.000 0.762 419 P CB 0.826 32.522 31.700 -0.007 0.000 0.799 420 G N 3.042 111.857 108.800 0.025 0.000 2.268 420 G HA2 -0.240 3.711 3.960 -0.015 0.000 0.240 420 G HA3 -0.240 3.711 3.960 -0.015 0.000 0.240 420 G C 0.423 175.333 174.900 0.018 0.000 1.010 420 G CA -0.063 45.047 45.100 0.018 0.000 0.618 420 G HN 0.574 nan 8.290 nan 0.000 0.516 421 D N 1.680 122.100 120.400 0.033 0.000 2.541 421 D HA 0.411 5.043 4.640 -0.015 0.000 0.231 421 D C 1.837 178.130 176.300 -0.012 0.000 1.163 421 D CA 0.422 54.426 54.000 0.005 0.000 1.077 421 D CB 0.355 41.156 40.800 0.001 0.000 1.110 421 D HN 0.152 nan 8.370 nan 0.000 0.499 422 V N 2.297 122.205 119.914 -0.010 0.000 2.261 422 V HA -0.257 3.854 4.120 -0.015 0.000 0.246 422 V C 2.047 178.132 176.094 -0.016 0.000 1.047 422 V CA 1.830 64.125 62.300 -0.009 0.000 1.015 422 V CB -0.396 31.424 31.823 -0.005 0.000 0.642 422 V HN 0.431 nan 8.190 nan 0.000 0.446 423 D N -0.564 119.823 120.400 -0.022 0.000 2.221 423 D HA -0.204 4.427 4.640 -0.015 0.000 0.204 423 D C 2.334 178.610 176.300 -0.040 0.000 0.982 423 D CA 1.045 55.032 54.000 -0.021 0.000 0.857 423 D CB -0.123 40.663 40.800 -0.022 0.000 0.934 423 D HN 0.261 nan 8.370 nan 0.000 0.475 424 R N -0.323 120.129 120.500 -0.079 0.000 2.092 424 R HA -0.054 4.277 4.340 -0.015 0.000 0.231 424 R C 2.200 178.441 176.300 -0.097 0.000 1.119 424 R CA 0.692 56.709 56.100 -0.139 0.000 0.970 424 R CB -0.142 30.012 30.300 -0.242 0.000 0.864 424 R HN 0.259 nan 8.270 nan 0.000 0.440 425 L N 0.348 121.541 121.223 -0.051 0.000 2.017 425 L HA -0.177 4.154 4.340 -0.015 0.000 0.208 425 L C 2.919 179.810 176.870 0.036 0.000 1.073 425 L CA 1.599 56.432 54.840 -0.012 0.000 0.745 425 L CB -0.615 41.443 42.059 -0.001 0.000 0.894 425 L HN 0.260 nan 8.230 nan 0.000 0.432 426 R N 0.591 121.111 120.500 0.033 0.000 2.091 426 R HA -0.171 4.160 4.340 -0.015 0.000 0.238 426 R C 2.402 178.762 176.300 0.101 0.000 1.136 426 R CA 1.497 57.635 56.100 0.062 0.000 0.959 426 R CB -0.095 30.230 30.300 0.042 0.000 0.856 426 R HN 0.336 nan 8.270 nan 0.000 0.437 427 R N -0.339 120.207 120.500 0.076 0.000 2.090 427 R HA 0.000 4.332 4.340 -0.015 0.000 0.228 427 R C 2.239 178.675 176.300 0.226 0.000 1.110 427 R CA 1.555 57.730 56.100 0.125 0.000 0.973 427 R CB -0.121 30.205 30.300 0.044 0.000 0.869 427 R HN 0.302 nan 8.270 nan 0.000 0.440 428 M N 0.514 120.169 119.600 0.092 0.000 2.541 428 M HA 0.025 4.496 4.480 -0.015 0.000 0.252 428 M C 0.874 177.459 176.300 0.475 0.000 1.125 428 M CA 0.084 55.437 55.300 0.089 0.000 1.091 428 M CB 0.337 32.787 32.600 -0.250 0.000 1.420 428 M HN -0.060 nan 8.290 nan 0.000 0.486 429 S N 0.797 116.726 115.700 0.382 0.000 2.552 429 S HA 0.007 4.468 4.470 -0.015 0.000 0.289 429 S C 0.979 175.841 174.600 0.437 0.000 1.304 429 S CA -0.409 58.016 58.200 0.375 0.000 1.063 429 S CB 0.659 63.999 63.200 0.234 0.000 0.848 429 S HN 0.245 nan 8.310 nan 0.000 0.499 430 L N 5.345 126.775 121.223 0.345 0.000 2.275 430 L HA 0.122 4.453 4.340 -0.015 0.000 0.215 430 L C 0.538 177.493 176.870 0.141 0.000 1.119 430 L CA 0.922 55.897 54.840 0.225 0.000 0.790 430 L CB -0.432 41.712 42.059 0.141 0.000 0.919 430 L HN 0.564 nan 8.230 nan 0.000 0.443 431 V N 0.146 120.167 119.914 0.179 0.000 2.364 431 V HA 0.169 4.280 4.120 -0.015 0.000 0.272 431 V C 0.301 176.469 176.094 0.123 0.000 1.036 431 V CA -0.827 61.569 62.300 0.160 0.000 0.880 431 V CB 1.085 33.045 31.823 0.227 0.000 0.991 431 V HN 0.149 nan 8.190 nan 0.000 0.460 432 E N 4.136 124.385 120.200 0.081 0.000 2.167 432 E HA 0.268 4.609 4.350 -0.015 0.000 0.284 432 E C -0.274 176.370 176.600 0.072 0.000 1.016 432 E CA -0.558 55.879 56.400 0.062 0.000 0.817 432 E CB 0.782 30.492 29.700 0.017 0.000 1.080 432 E HN 0.626 nan 8.360 nan 0.000 0.397 433 E N 1.952 122.194 120.200 0.070 0.000 2.312 433 E HA 0.594 4.935 4.350 -0.015 0.000 0.259 433 E C 0.250 176.884 176.600 0.058 0.000 1.122 433 E CA -0.110 56.329 56.400 0.065 0.000 0.922 433 E CB 1.650 31.384 29.700 0.056 0.000 1.109 433 E HN 0.802 nan 8.360 nan 0.000 0.442 434 G N -0.710 108.123 108.800 0.056 0.000 2.340 434 G HA2 0.162 4.113 3.960 -0.015 0.000 0.282 434 G HA3 0.162 4.113 3.960 -0.015 0.000 0.282 434 G C 0.377 175.311 174.900 0.056 0.000 1.312 434 G CA 0.125 45.256 45.100 0.052 0.000 0.942 434 G HN 0.438 nan 8.290 nan 0.000 0.495 435 A N -1.204 121.648 122.820 0.053 0.000 1.917 435 A HA 0.318 4.630 4.320 -0.015 0.000 0.219 435 A C 1.244 178.871 177.584 0.071 0.000 1.182 435 A CA 2.540 54.609 52.037 0.054 0.000 0.633 435 A CB -0.397 18.633 19.000 0.049 0.000 0.819 435 A HN 1.584 nan 8.150 nan 0.000 0.448 436 V N 0.927 120.891 119.914 0.084 0.000 2.349 436 V HA 0.208 4.319 4.120 -0.015 0.000 0.284 436 V C 0.099 176.258 176.094 0.108 0.000 1.014 436 V CA -0.843 61.526 62.300 0.115 0.000 0.826 436 V CB 1.363 33.266 31.823 0.133 0.000 1.009 436 V HN 0.425 nan 8.190 nan 0.000 0.431 437 K N 5.197 125.668 120.400 0.118 0.000 2.436 437 K HA 0.386 4.697 4.320 -0.015 0.000 0.275 437 K C -0.109 176.554 176.600 0.104 0.000 0.999 437 K CA 0.019 56.372 56.287 0.110 0.000 0.980 437 K CB 0.562 33.139 32.500 0.129 0.000 0.919 437 K HN 0.666 nan 8.250 nan 0.000 0.484 438 R N 2.483 123.033 120.500 0.083 0.000 2.831 438 R HA 0.515 4.847 4.340 -0.015 0.000 0.266 438 R C -0.831 175.497 176.300 0.046 0.000 1.051 438 R CA -1.119 55.018 56.100 0.062 0.000 0.943 438 R CB 0.918 31.240 30.300 0.037 0.000 1.228 438 R HN 0.357 nan 8.270 nan 0.000 0.467 439 I N 1.693 122.280 120.570 0.028 0.000 2.406 439 I HA 0.182 4.343 4.170 -0.015 0.000 0.290 439 I C -0.397 175.684 176.117 -0.060 0.000 0.999 439 I CA -0.790 60.510 61.300 0.001 0.000 1.124 439 I CB 1.542 39.538 38.000 -0.008 0.000 1.289 439 I HN 0.557 nan 8.210 nan 0.000 0.441 440 N N 6.907 125.536 118.700 -0.117 0.000 2.399 440 N HA 0.060 4.792 4.740 -0.015 0.000 0.259 440 N C 0.849 176.249 175.510 -0.184 0.000 1.160 440 N CA -0.331 52.575 53.050 -0.239 0.000 0.946 440 N CB 0.963 39.151 38.487 -0.498 0.000 1.156 440 N HN 0.406 nan 8.380 nan 0.000 0.489 441 M N 2.895 122.384 119.600 -0.184 0.000 2.159 441 M HA -0.090 4.381 4.480 -0.015 0.000 0.263 441 M C 2.055 178.204 176.300 -0.252 0.000 1.063 441 M CA 0.892 56.100 55.300 -0.154 0.000 1.110 441 M CB -1.686 30.853 32.600 -0.101 0.000 1.374 441 M HN 0.634 nan 8.290 nan 0.000 0.411 442 A N -0.598 122.076 122.820 -0.242 0.000 1.933 442 A HA -0.184 4.127 4.320 -0.015 0.000 0.218 442 A C 2.024 179.400 177.584 -0.347 0.000 1.175 442 A CA 1.545 53.401 52.037 -0.300 0.000 0.628 442 A CB -1.146 17.890 19.000 0.060 0.000 0.814 442 A HN 0.616 nan 8.150 nan 0.000 0.444 443 H N -1.580 117.256 119.070 -0.389 0.000 2.389 443 H HA -0.090 4.457 4.556 -0.015 0.000 0.299 443 H C 2.097 177.187 175.328 -0.396 0.000 1.081 443 H CA 1.052 56.824 56.048 -0.460 0.000 1.345 443 H CB 0.004 29.691 29.762 -0.124 0.000 1.393 443 H HN 0.447 nan 8.280 nan 0.000 0.520 444 L N 0.810 121.943 121.223 -0.151 0.000 2.017 444 L HA -0.161 4.170 4.340 -0.015 0.000 0.208 444 L C 2.279 179.024 176.870 -0.207 0.000 1.073 444 L CA 1.497 56.252 54.840 -0.141 0.000 0.745 444 L CB -0.965 41.038 42.059 -0.094 0.000 0.894 444 L HN 0.262 nan 8.230 nan 0.000 0.432 445 C N -0.293 118.800 119.300 -0.344 0.000 2.429 445 C HA -0.122 4.329 4.460 -0.015 0.000 0.277 445 C C 2.731 177.531 174.990 -0.316 0.000 1.262 445 C CA 0.986 59.758 59.018 -0.410 0.000 1.733 445 C CB -1.009 26.179 27.740 -0.920 0.000 2.010 445 C HN 0.625 nan 8.230 nan 0.000 0.483 446 I N 1.460 121.783 120.570 -0.412 0.000 2.252 446 I HA -0.180 3.981 4.170 -0.015 0.000 0.245 446 I C 2.735 178.704 176.117 -0.245 0.000 1.102 446 I CA 1.628 62.700 61.300 -0.380 0.000 1.385 446 I CB -0.522 37.085 38.000 -0.654 0.000 1.064 446 I HN 0.255 nan 8.210 nan 0.000 0.414 447 A N 0.473 123.099 122.820 -0.323 0.000 1.933 447 A HA -0.079 4.232 4.320 -0.015 0.000 0.218 447 A C 2.193 179.835 177.584 0.098 0.000 1.175 447 A CA 1.826 53.705 52.037 -0.265 0.000 0.628 447 A CB -1.128 17.485 19.000 -0.644 0.000 0.814 447 A HN 0.473 nan 8.150 nan 0.000 0.444 448 G N -1.088 107.716 108.800 0.006 0.000 3.434 448 G HA2 0.431 4.382 3.960 -0.015 0.000 0.258 448 G HA3 0.431 4.382 3.960 -0.015 0.000 0.258 448 G C 0.103 174.853 174.900 -0.249 0.000 1.128 448 G CA 0.426 45.407 45.100 -0.198 0.000 0.792 448 G HN 0.339 nan 8.290 nan 0.000 0.539 449 S N -0.587 115.026 115.700 -0.145 0.000 2.607 449 S HA 0.392 4.853 4.470 -0.015 0.000 0.303 449 S C 0.687 175.256 174.600 -0.052 0.000 1.086 449 S CA -0.717 57.425 58.200 -0.095 0.000 0.995 449 S CB 1.307 64.448 63.200 -0.099 0.000 1.084 449 S HN 0.510 nan 8.310 nan 0.000 0.507 450 H N -0.657 118.372 119.070 -0.068 0.000 2.648 450 H HA 0.578 5.125 4.556 -0.015 0.000 0.265 450 H C 0.016 175.316 175.328 -0.047 0.000 0.961 450 H CA 0.101 56.132 56.048 -0.029 0.000 1.185 450 H CB 0.209 29.972 29.762 0.002 0.000 1.449 450 H HN 0.492 nan 8.280 nan 0.000 0.523 451 A N 1.043 123.527 122.820 -0.559 0.000 2.486 451 A HA 0.575 4.886 4.320 -0.015 0.000 0.300 451 A C -1.488 175.869 177.584 -0.378 0.000 1.048 451 A CA -0.559 51.196 52.037 -0.471 0.000 0.696 451 A CB 2.337 21.010 19.000 -0.545 0.000 1.278 451 A HN 0.088 nan 8.150 nan 0.000 0.405 452 V N 4.434 124.090 119.914 -0.429 0.000 2.524 452 V HA 0.418 4.529 4.120 -0.015 0.000 0.297 452 V C -0.697 175.202 176.094 -0.325 0.000 1.035 452 V CA -0.803 61.242 62.300 -0.426 0.000 0.867 452 V CB 1.623 33.032 31.823 -0.689 0.000 1.004 452 V HN 1.029 nan 8.190 nan 0.000 0.426 453 N N 3.359 121.900 118.700 -0.264 0.000 2.402 453 N HA 0.694 5.425 4.740 -0.015 0.000 0.294 453 N C -0.233 175.193 175.510 -0.139 0.000 1.203 453 N CA -0.353 52.585 53.050 -0.187 0.000 0.838 453 N CB 3.012 41.358 38.487 -0.235 0.000 1.306 453 N HN 0.600 nan 8.380 nan 0.000 0.510 454 G N -1.141 107.623 108.800 -0.060 0.000 2.552 454 G HA2 0.443 4.394 3.960 -0.015 0.000 0.324 454 G HA3 0.443 4.394 3.960 -0.015 0.000 0.324 454 G C 0.546 175.510 174.900 0.106 0.000 1.217 454 G CA -0.642 44.517 45.100 0.099 0.000 0.989 454 G HN 0.582 nan 8.290 nan 0.000 0.490 455 V N -3.365 116.663 119.914 0.191 0.000 3.376 455 V HA 0.690 4.801 4.120 -0.015 0.000 0.313 455 V C 0.524 176.665 176.094 0.078 0.000 1.393 455 V CA 0.235 62.568 62.300 0.055 0.000 1.125 455 V CB -0.827 30.971 31.823 -0.040 0.000 1.037 455 V HN 1.387 nan 8.190 nan 0.000 0.440 456 A N -0.208 122.680 122.820 0.113 0.000 2.594 456 A HA 0.663 4.975 4.320 -0.015 0.000 0.296 456 A C 0.530 178.160 177.584 0.075 0.000 1.056 456 A CA -0.154 51.940 52.037 0.094 0.000 0.693 456 A CB 1.178 20.227 19.000 0.082 0.000 1.278 456 A HN 0.086 nan 8.150 nan 0.000 0.408 457 R N 1.057 121.582 120.500 0.041 0.000 2.112 457 R HA -0.172 4.159 4.340 -0.015 0.000 0.242 457 R C 1.762 178.057 176.300 -0.008 0.000 1.137 457 R CA 2.480 58.582 56.100 0.003 0.000 0.944 457 R CB -0.307 29.991 30.300 -0.004 0.000 0.857 457 R HN 0.805 nan 8.270 nan 0.000 0.435 458 I N -0.057 120.517 120.570 0.007 0.000 2.286 458 I HA -0.305 3.857 4.170 -0.015 0.000 0.248 458 I C 2.173 178.288 176.117 -0.003 0.000 1.115 458 I CA 1.833 63.128 61.300 -0.008 0.000 1.392 458 I CB -0.182 37.816 38.000 -0.004 0.000 1.065 458 I HN 0.398 nan 8.210 nan 0.000 0.418 459 H N 0.216 119.250 119.070 -0.059 0.000 2.326 459 H HA -0.104 4.443 4.556 -0.015 0.000 0.301 459 H C 2.299 177.577 175.328 -0.083 0.000 1.081 459 H CA 2.122 58.126 56.048 -0.073 0.000 1.334 459 H CB -0.156 29.569 29.762 -0.061 0.000 1.385 459 H HN 0.200 nan 8.280 nan 0.000 0.504 460 S N 0.244 115.848 115.700 -0.161 0.000 2.419 460 S HA -0.110 4.351 4.470 -0.015 0.000 0.233 460 S C 1.832 176.304 174.600 -0.214 0.000 1.016 460 S CA 1.123 59.202 58.200 -0.201 0.000 0.974 460 S CB -0.033 63.115 63.200 -0.086 0.000 0.786 460 S HN 0.457 nan 8.310 nan 0.000 0.492 461 E N 1.218 121.309 120.200 -0.183 0.000 2.076 461 E HA 0.088 4.429 4.350 -0.015 0.000 0.190 461 E C 2.014 178.478 176.600 -0.226 0.000 0.979 461 E CA 0.495 56.776 56.400 -0.198 0.000 0.807 461 E CB -0.325 29.293 29.700 -0.136 0.000 0.761 461 E HN 0.493 nan 8.360 nan 0.000 0.454 462 I N 1.068 121.513 120.570 -0.208 0.000 2.264 462 I HA -0.284 3.877 4.170 -0.015 0.000 0.248 462 I C 2.398 178.352 176.117 -0.271 0.000 1.111 462 I CA 0.842 62.019 61.300 -0.204 0.000 1.382 462 I CB -0.289 37.612 38.000 -0.165 0.000 1.060 462 I HN 0.062 nan 8.210 nan 0.000 0.418 463 L N 0.553 121.561 121.223 -0.359 0.000 2.042 463 L HA -0.231 4.100 4.340 -0.015 0.000 0.210 463 L C 2.493 179.202 176.870 -0.267 0.000 1.076 463 L CA 1.596 56.213 54.840 -0.372 0.000 0.749 463 L CB -0.562 41.324 42.059 -0.289 0.000 0.893 463 L HN 0.230 nan 8.230 nan 0.000 0.432 464 K N -0.079 120.109 120.400 -0.353 0.000 2.288 464 K HA -0.105 4.206 4.320 -0.015 0.000 0.201 464 K C 1.866 178.254 176.600 -0.354 0.000 1.048 464 K CA 0.845 56.790 56.287 -0.569 0.000 0.956 464 K CB 0.057 31.938 32.500 -1.032 0.000 0.746 464 K HN 0.346 nan 8.250 nan 0.000 0.461 465 K N 0.103 120.355 120.400 -0.245 0.000 2.308 465 K HA 0.001 4.312 4.320 -0.015 0.000 0.197 465 K C 1.791 178.332 176.600 -0.098 0.000 1.049 465 K CA 1.119 57.320 56.287 -0.143 0.000 0.991 465 K CB 0.568 32.991 32.500 -0.128 0.000 0.836 465 K HN 0.214 nan 8.250 nan 0.000 0.500 466 T N -0.869 113.613 114.554 -0.121 0.000 2.709 466 T HA 0.093 4.434 4.350 -0.015 0.000 0.174 466 T C 1.915 176.579 174.700 -0.061 0.000 0.774 466 T CA -0.045 62.002 62.100 -0.087 0.000 1.309 466 T CB -0.799 68.008 68.868 -0.102 0.000 2.586 466 T HN 0.079 nan 8.240 nan 0.000 0.401 467 I N -0.432 120.057 120.570 -0.135 0.000 2.236 467 I HA -0.058 4.104 4.170 -0.015 0.000 0.249 467 I C 1.244 177.478 176.117 0.195 0.000 1.102 467 I CA 1.877 63.125 61.300 -0.088 0.000 1.365 467 I CB -0.767 37.039 38.000 -0.324 0.000 1.051 467 I HN 0.142 nan 8.210 nan 0.000 0.420 468 F N 1.300 121.331 119.950 0.135 0.000 2.708 468 F HA 0.358 4.876 4.527 -0.015 0.000 0.300 468 F C 1.909 177.775 175.800 0.111 0.000 1.118 468 F CA -1.062 57.097 58.000 0.265 0.000 1.307 468 F CB -0.754 38.417 39.000 0.285 0.000 0.986 468 F HN 0.049 nan 8.300 nan 0.000 0.522 469 K N 0.796 121.302 120.400 0.177 0.000 2.009 469 K HA -0.204 4.107 4.320 -0.015 0.000 0.210 469 K C 1.367 177.999 176.600 0.054 0.000 1.049 469 K CA 2.125 58.455 56.287 0.072 0.000 0.929 469 K CB 0.004 32.517 32.500 0.021 0.000 0.714 469 K HN 0.030 nan 8.250 nan 0.000 0.440 470 D N -0.072 120.322 120.400 -0.010 0.000 2.123 470 D HA -0.166 4.465 4.640 -0.015 0.000 0.196 470 D C 1.734 177.887 176.300 -0.245 0.000 0.992 470 D CA 1.262 55.121 54.000 -0.236 0.000 0.833 470 D CB -0.261 40.292 40.800 -0.411 0.000 0.954 470 D HN 0.246 nan 8.370 nan 0.000 0.455 471 F N -0.696 119.312 119.950 0.096 0.000 2.259 471 F HA -0.087 4.431 4.527 -0.015 0.000 0.298 471 F C 2.207 178.107 175.800 0.166 0.000 1.088 471 F CA 0.345 58.483 58.000 0.228 0.000 1.358 471 F CB -0.594 38.625 39.000 0.365 0.000 1.040 471 F HN -0.021 nan 8.300 nan 0.000 0.505 472 Y N 1.290 121.470 120.300 -0.200 0.000 2.242 472 Y HA -0.144 4.397 4.550 -0.015 0.000 0.291 472 Y C 2.056 177.904 175.900 -0.087 0.000 1.137 472 Y CA 1.455 59.245 58.100 -0.516 0.000 1.181 472 Y CB -0.576 37.471 38.460 -0.689 0.000 0.989 472 Y HN 0.117 nan 8.280 nan 0.000 0.527 473 E N -0.107 119.999 120.200 -0.157 0.000 2.107 473 E HA -0.165 4.176 4.350 -0.015 0.000 0.191 473 E C 2.227 178.875 176.600 0.078 0.000 0.982 473 E CA 0.960 57.284 56.400 -0.128 0.000 0.809 473 E CB -0.220 29.434 29.700 -0.077 0.000 0.756 473 E HN 0.436 nan 8.360 nan 0.000 0.459 474 L N 0.612 121.932 121.223 0.160 0.000 2.156 474 L HA -0.047 4.285 4.340 -0.015 0.000 0.208 474 L C 0.048 177.042 176.870 0.208 0.000 1.095 474 L CA 1.448 56.445 54.840 0.262 0.000 0.770 474 L CB 0.220 42.426 42.059 0.246 0.000 0.914 474 L HN 0.055 nan 8.230 nan 0.000 0.439 475 E N -0.390 119.927 120.200 0.196 0.000 3.074 475 E HA 0.138 4.479 4.350 -0.015 0.000 0.287 475 E C -1.931 174.683 176.600 0.024 0.000 1.194 475 E CA -1.171 55.301 56.400 0.120 0.000 0.836 475 E CB 1.125 30.872 29.700 0.078 0.000 1.468 475 E HN 0.135 nan 8.360 nan 0.000 0.383 476 P HA -0.261 nan 4.420 nan 0.000 0.215 476 P C 1.337 178.773 177.300 0.227 0.000 1.153 476 P CA 1.506 64.573 63.100 -0.055 0.000 0.853 476 P CB -0.083 31.481 31.700 -0.228 0.000 0.788 477 H N 0.481 119.665 119.070 0.190 0.000 2.457 477 H HA -0.061 4.486 4.556 -0.015 0.000 0.297 477 H C 1.851 177.279 175.328 0.167 0.000 1.092 477 H CA 1.375 57.520 56.048 0.162 0.000 1.309 477 H CB -0.787 29.041 29.762 0.109 0.000 1.382 477 H HN 0.169 nan 8.280 nan 0.000 0.535 478 K N 0.383 120.589 120.400 -0.323 0.000 2.103 478 K HA -0.012 4.299 4.320 -0.015 0.000 0.204 478 K C -0.064 176.378 176.600 -0.264 0.000 1.052 478 K CA 0.228 56.343 56.287 -0.286 0.000 0.945 478 K CB 0.056 32.295 32.500 -0.435 0.000 0.722 478 K HN 0.019 nan 8.250 nan 0.000 0.443 479 F N 1.687 121.644 119.950 0.012 0.000 2.443 479 F HA 0.222 4.740 4.527 -0.015 0.000 0.353 479 F C 0.437 176.227 175.800 -0.017 0.000 1.101 479 F CA -0.046 57.968 58.000 0.025 0.000 1.226 479 F CB 1.007 40.071 39.000 0.106 0.000 1.140 479 F HN 0.044 nan 8.300 nan 0.000 0.557 480 Q N 1.291 121.111 119.800 0.033 0.000 2.687 480 Q HA 0.382 4.713 4.340 -0.015 0.000 0.305 480 Q C -1.310 174.647 176.000 -0.072 0.000 1.006 480 Q CA -1.274 54.504 55.803 -0.041 0.000 0.763 480 Q CB 3.098 31.755 28.738 -0.136 0.000 1.506 480 Q HN 0.658 nan 8.270 nan 0.000 0.459 481 N N 0.408 119.042 118.700 -0.109 0.000 2.225 481 N HA 0.288 5.019 4.740 -0.015 0.000 0.298 481 N C -1.543 173.860 175.510 -0.177 0.000 1.076 481 N CA -0.399 52.587 53.050 -0.106 0.000 0.792 481 N CB 1.237 39.683 38.487 -0.069 0.000 1.498 481 N HN 0.272 nan 8.380 nan 0.000 0.474 482 K N 2.617 122.917 120.400 -0.167 0.000 2.803 482 K HA 0.177 4.488 4.320 -0.015 0.000 0.229 482 K C -1.085 175.509 176.600 -0.011 0.000 1.084 482 K CA -0.451 55.702 56.287 -0.224 0.000 1.063 482 K CB 1.061 33.187 32.500 -0.623 0.000 1.254 482 K HN 0.552 nan 8.250 nan 0.000 0.551 483 T N 1.934 116.499 114.554 0.018 0.000 2.867 483 T HA 0.058 4.400 4.350 -0.015 0.000 0.297 483 T C 0.765 175.573 174.700 0.179 0.000 0.989 483 T CA 0.320 62.478 62.100 0.097 0.000 1.159 483 T CB 0.166 69.087 68.868 0.088 0.000 0.928 483 T HN 0.335 nan 8.240 nan 0.000 0.538 484 N N 0.960 119.785 118.700 0.208 0.000 2.265 484 N HA 0.270 5.002 4.740 -0.015 0.000 0.231 484 N C 0.518 176.198 175.510 0.283 0.000 1.266 484 N CA 0.014 53.214 53.050 0.249 0.000 0.862 484 N CB 0.355 38.936 38.487 0.156 0.000 1.100 484 N HN 0.753 nan 8.380 nan 0.000 0.439 485 G N -0.004 108.974 108.800 0.295 0.000 2.725 485 G HA2 0.699 4.650 3.960 -0.015 0.000 0.288 485 G HA3 0.699 4.650 3.960 -0.015 0.000 0.288 485 G C -1.592 173.436 174.900 0.213 0.000 1.399 485 G CA -0.362 44.903 45.100 0.275 0.000 0.859 485 G HN 0.424 nan 8.290 nan 0.000 0.479 486 I N -0.569 120.119 120.570 0.196 0.000 2.769 486 I HA 0.519 4.680 4.170 -0.015 0.000 0.298 486 I C 0.133 176.420 176.117 0.284 0.000 1.128 486 I CA -0.461 60.943 61.300 0.173 0.000 1.031 486 I CB 2.691 40.668 38.000 -0.038 0.000 1.235 486 I HN 0.501 nan 8.210 nan 0.000 0.423 487 T N 7.300 122.108 114.554 0.422 0.000 2.794 487 T HA 0.347 4.688 4.350 -0.015 0.000 0.296 487 T C -1.746 173.096 174.700 0.236 0.000 0.949 487 T CA -1.569 60.688 62.100 0.262 0.000 1.101 487 T CB 0.972 69.927 68.868 0.145 0.000 0.905 487 T HN 0.422 nan 8.240 nan 0.000 0.516 488 P HA 0.022 nan 4.420 nan 0.000 0.226 488 P C 1.086 178.373 177.300 -0.022 0.000 1.153 488 P CA 0.484 63.635 63.100 0.084 0.000 0.777 488 P CB 0.382 32.114 31.700 0.053 0.000 0.794 489 R N 0.233 120.671 120.500 -0.103 0.000 2.052 489 R HA 0.053 4.384 4.340 -0.015 0.000 0.224 489 R C 2.724 178.917 176.300 -0.179 0.000 1.165 489 R CA 1.429 57.421 56.100 -0.180 0.000 0.939 489 R CB -1.188 29.008 30.300 -0.174 0.000 0.834 489 R HN 0.014 nan 8.270 nan 0.000 0.435 490 R N -0.644 119.691 120.500 -0.275 0.000 2.073 490 R HA -0.126 4.205 4.340 -0.015 0.000 0.234 490 R C 1.251 177.227 176.300 -0.539 0.000 1.134 490 R CA 1.741 57.529 56.100 -0.521 0.000 0.952 490 R CB -0.275 29.508 30.300 -0.861 0.000 0.850 490 R HN 0.304 nan 8.270 nan 0.000 0.433 491 W N -0.005 121.258 121.300 -0.062 0.000 3.292 491 W HA 0.107 4.757 4.660 -0.016 0.000 0.263 491 W C 1.014 177.508 176.519 -0.042 0.000 1.318 491 W CA -0.660 56.648 57.345 -0.061 0.000 1.663 491 W CB 0.329 29.759 29.460 -0.049 0.000 1.114 491 W HN 0.284 nan 8.180 nan 0.000 0.706 492 L N -2.737 118.553 121.223 0.112 0.000 2.208 492 L HA 0.171 4.502 4.340 -0.015 0.000 0.133 492 L C 1.670 178.567 176.870 0.045 0.000 1.385 492 L CA 0.607 55.505 54.840 0.098 0.000 1.030 492 L CB -0.894 41.246 42.059 0.135 0.000 2.075 492 L HN -0.293 nan 8.230 nan 0.000 0.482 493 V N 1.321 121.243 119.914 0.013 0.000 2.380 493 V HA -0.268 3.843 4.120 -0.015 0.000 0.251 493 V C 2.444 178.522 176.094 -0.027 0.000 1.063 493 V CA 2.542 64.836 62.300 -0.010 0.000 1.055 493 V CB -0.580 31.195 31.823 -0.081 0.000 0.657 493 V HN 0.508 nan 8.190 nan 0.000 0.455 494 L N 0.239 121.420 121.223 -0.070 0.000 2.034 494 L HA -0.150 4.181 4.340 -0.015 0.000 0.203 494 L C 2.575 179.397 176.870 -0.081 0.000 1.074 494 L CA 2.173 56.955 54.840 -0.096 0.000 0.748 494 L CB -0.284 41.667 42.059 -0.181 0.000 0.905 494 L HN 0.618 nan 8.230 nan 0.000 0.439 495 C N -1.390 117.857 119.300 -0.088 0.000 2.481 495 C HA 0.117 4.568 4.460 -0.015 0.000 0.275 495 C C 1.184 176.173 174.990 -0.002 0.000 1.419 495 C CA -0.253 58.735 59.018 -0.050 0.000 1.773 495 C CB -1.089 26.628 27.740 -0.038 0.000 1.862 495 C HN 0.563 nan 8.230 nan 0.000 0.530 496 N N 1.169 119.877 118.700 0.014 0.000 2.733 496 N HA 0.280 5.011 4.740 -0.015 0.000 0.271 496 N C -1.898 173.633 175.510 0.035 0.000 1.720 496 N CA -1.338 51.728 53.050 0.028 0.000 0.803 496 N CB 1.011 39.521 38.487 0.039 0.000 1.208 496 N HN 0.282 nan 8.380 nan 0.000 0.498 497 P HA -0.013 nan 4.420 nan 0.000 0.221 497 P C 1.352 178.676 177.300 0.040 0.000 1.150 497 P CA 0.747 63.868 63.100 0.034 0.000 0.800 497 P CB 0.373 32.086 31.700 0.022 0.000 0.787 498 G N 0.874 109.693 108.800 0.032 0.000 2.421 498 G HA2 -0.243 3.708 3.960 -0.015 0.000 0.216 498 G HA3 -0.243 3.708 3.960 -0.015 0.000 0.216 498 G C 1.512 176.430 174.900 0.031 0.000 1.171 498 G CA 0.645 45.761 45.100 0.027 0.000 0.775 498 G HN 0.244 nan 8.290 nan 0.000 0.543 499 L N 1.270 122.510 121.223 0.029 0.000 2.093 499 L HA 0.204 4.535 4.340 -0.015 0.000 0.208 499 L C 3.009 179.913 176.870 0.056 0.000 1.085 499 L CA 2.057 56.913 54.840 0.026 0.000 0.755 499 L CB -0.543 41.528 42.059 0.020 0.000 0.904 499 L HN 0.229 nan 8.230 nan 0.000 0.435 500 A N -0.961 121.912 122.820 0.089 0.000 2.015 500 A HA -0.191 4.121 4.320 -0.015 0.000 0.219 500 A C 2.260 179.939 177.584 0.160 0.000 1.163 500 A CA 1.428 53.567 52.037 0.170 0.000 0.646 500 A CB -0.616 18.491 19.000 0.178 0.000 0.806 500 A HN 0.629 nan 8.150 nan 0.000 0.448 501 E N 1.038 121.296 120.200 0.097 0.000 2.007 501 E HA -0.210 4.131 4.350 -0.015 0.000 0.194 501 E C 2.071 178.716 176.600 0.075 0.000 0.999 501 E CA 1.816 58.263 56.400 0.078 0.000 0.811 501 E CB -0.448 29.282 29.700 0.050 0.000 0.762 501 E HN 0.718 nan 8.360 nan 0.000 0.450 502 I N -0.943 119.669 120.570 0.070 0.000 2.264 502 I HA -0.241 3.920 4.170 -0.015 0.000 0.248 502 I C 2.529 178.710 176.117 0.105 0.000 1.111 502 I CA 1.332 62.690 61.300 0.096 0.000 1.382 502 I CB -0.508 37.558 38.000 0.109 0.000 1.060 502 I HN 0.077 nan 8.210 nan 0.000 0.418 503 I N 1.940 122.557 120.570 0.078 0.000 2.226 503 I HA -0.229 3.932 4.170 -0.015 0.000 0.245 503 I C 3.045 179.116 176.117 -0.076 0.000 1.100 503 I CA 1.409 62.674 61.300 -0.059 0.000 1.374 503 I CB -0.501 37.349 38.000 -0.250 0.000 1.057 503 I HN 0.332 nan 8.210 nan 0.000 0.413 504 A N 0.536 123.410 122.820 0.091 0.000 1.933 504 A HA -0.212 4.099 4.320 -0.015 0.000 0.218 504 A C 2.140 179.756 177.584 0.053 0.000 1.175 504 A CA 1.531 53.670 52.037 0.170 0.000 0.628 504 A CB -0.578 18.542 19.000 0.200 0.000 0.814 504 A HN 0.474 nan 8.150 nan 0.000 0.444 505 E N -0.669 119.540 120.200 0.015 0.000 2.209 505 E HA -0.190 4.151 4.350 -0.015 0.000 0.196 505 E C 2.066 178.625 176.600 -0.069 0.000 0.993 505 E CA 0.937 57.330 56.400 -0.012 0.000 0.819 505 E CB -0.078 29.620 29.700 -0.002 0.000 0.745 505 E HN 0.440 nan 8.360 nan 0.000 0.477 506 R N 0.333 120.731 120.500 -0.170 0.000 2.103 506 R HA 0.117 4.448 4.340 -0.015 0.000 0.212 506 R C 2.345 178.551 176.300 -0.157 0.000 1.107 506 R CA 0.766 56.691 56.100 -0.292 0.000 1.025 506 R CB -0.220 29.575 30.300 -0.841 0.000 0.929 506 R HN 0.300 nan 8.270 nan 0.000 0.456 507 I N -2.529 117.961 120.570 -0.133 0.000 4.025 507 I HA 0.423 4.584 4.170 -0.015 0.000 0.336 507 I C 0.476 176.634 176.117 0.069 0.000 1.390 507 I CA 0.115 61.401 61.300 -0.023 0.000 1.099 507 I CB 0.557 38.528 38.000 -0.050 0.000 1.049 507 I HN 0.177 nan 8.210 nan 0.000 0.394 508 G N 2.200 111.049 108.800 0.083 0.000 2.660 508 G HA2 -0.227 3.724 3.960 -0.015 0.000 0.215 508 G HA3 -0.227 3.724 3.960 -0.015 0.000 0.215 508 G C -0.015 175.006 174.900 0.202 0.000 1.345 508 G CA 0.222 45.389 45.100 0.112 0.000 0.877 508 G HN 0.460 nan 8.290 nan 0.000 0.549 509 E N -0.261 119.995 120.200 0.095 0.000 2.489 509 E HA 0.126 4.467 4.350 -0.015 0.000 0.204 509 E C 1.894 178.390 176.600 -0.172 0.000 1.006 509 E CA 0.168 56.533 56.400 -0.059 0.000 0.936 509 E CB 0.396 30.070 29.700 -0.044 0.000 1.002 509 E HN 0.601 nan 8.360 nan 0.000 0.488 510 E N 0.491 120.687 120.200 -0.007 0.000 2.219 510 E HA -0.230 4.111 4.350 -0.015 0.000 0.198 510 E C 1.733 178.315 176.600 -0.031 0.000 0.998 510 E CA 1.355 57.754 56.400 -0.003 0.000 0.818 510 E CB -0.147 29.583 29.700 0.051 0.000 0.741 510 E HN 0.480 nan 8.360 nan 0.000 0.477 511 Y N -0.687 119.611 120.300 -0.002 0.000 2.333 511 Y HA -0.103 4.439 4.550 -0.014 0.000 0.290 511 Y C 1.850 177.723 175.900 -0.046 0.000 1.144 511 Y CA 0.637 58.729 58.100 -0.014 0.000 1.228 511 Y CB -0.673 37.782 38.460 -0.008 0.000 0.985 511 Y HN -0.075 nan 8.280 nan 0.000 0.542 512 I N 1.019 121.088 120.570 -0.834 0.000 2.399 512 I HA -0.268 3.893 4.170 -0.015 0.000 0.254 512 I C 1.562 177.452 176.117 -0.378 0.000 1.146 512 I CA 1.961 62.859 61.300 -0.670 0.000 1.412 512 I CB -0.418 37.060 38.000 -0.872 0.000 1.076 512 I HN 0.516 nan 8.210 nan 0.000 0.432 513 S N -1.706 113.863 115.700 -0.218 0.000 2.835 513 S HA 0.256 4.717 4.470 -0.015 0.000 0.248 513 S C -0.095 174.493 174.600 -0.019 0.000 1.070 513 S CA -0.589 57.556 58.200 -0.092 0.000 1.090 513 S CB 0.310 63.503 63.200 -0.012 0.000 0.978 513 S HN 0.322 nan 8.310 nan 0.000 0.510 514 D N 0.523 120.924 120.400 0.001 0.000 3.709 514 D HA 0.121 4.752 4.640 -0.015 0.000 0.246 514 D C 0.432 176.780 176.300 0.079 0.000 1.445 514 D CA -0.320 53.701 54.000 0.036 0.000 0.861 514 D CB -0.086 40.736 40.800 0.037 0.000 1.433 514 D HN 0.186 nan 8.370 nan 0.000 0.723 515 L N 0.819 122.091 121.223 0.082 0.000 2.263 515 L HA -0.055 4.276 4.340 -0.015 0.000 0.216 515 L C 1.486 178.405 176.870 0.080 0.000 1.111 515 L CA 1.698 56.609 54.840 0.118 0.000 0.773 515 L CB -0.145 41.977 42.059 0.105 0.000 0.906 515 L HN 0.262 nan 8.230 nan 0.000 0.439 516 D N -0.882 119.544 120.400 0.044 0.000 2.221 516 D HA -0.215 4.416 4.640 -0.015 0.000 0.204 516 D C 1.993 178.312 176.300 0.033 0.000 0.982 516 D CA 0.784 54.797 54.000 0.020 0.000 0.857 516 D CB 0.012 40.812 40.800 0.000 0.000 0.934 516 D HN 0.529 nan 8.370 nan 0.000 0.475 517 Q N -0.074 119.761 119.800 0.058 0.000 2.443 517 Q HA -0.069 4.263 4.340 -0.015 0.000 0.213 517 Q C 2.180 178.201 176.000 0.034 0.000 0.982 517 Q CA 0.212 56.053 55.803 0.062 0.000 0.894 517 Q CB 0.001 28.805 28.738 0.109 0.000 0.947 517 Q HN 0.391 nan 8.270 nan 0.000 0.480 518 L N 0.021 121.256 121.223 0.020 0.000 2.353 518 L HA -0.178 4.153 4.340 -0.015 0.000 0.220 518 L C 2.220 179.086 176.870 -0.006 0.000 1.133 518 L CA 0.797 55.613 54.840 -0.040 0.000 0.798 518 L CB -0.234 41.808 42.059 -0.030 0.000 0.922 518 L HN 0.222 nan 8.230 nan 0.000 0.445 519 R N 0.200 120.709 120.500 0.014 0.000 2.127 519 R HA -0.181 4.150 4.340 -0.015 0.000 0.238 519 R C 2.052 178.369 176.300 0.027 0.000 1.134 519 R CA 1.056 57.169 56.100 0.021 0.000 0.975 519 R CB -0.165 30.143 30.300 0.013 0.000 0.865 519 R HN 0.388 nan 8.270 nan 0.000 0.447 520 K N 0.614 121.029 120.400 0.026 0.000 2.286 520 K HA -0.136 4.175 4.320 -0.015 0.000 0.203 520 K C 1.804 178.471 176.600 0.111 0.000 1.045 520 K CA 0.933 57.249 56.287 0.048 0.000 0.935 520 K CB -0.133 32.397 32.500 0.050 0.000 0.737 520 K HN 0.250 nan 8.250 nan 0.000 0.460 521 L N 0.745 122.016 121.223 0.080 0.000 2.465 521 L HA -0.093 4.238 4.340 -0.015 0.000 0.224 521 L C 1.971 178.961 176.870 0.200 0.000 1.145 521 L CA 0.397 55.316 54.840 0.132 0.000 0.834 521 L CB -0.318 41.781 42.059 0.066 0.000 0.944 521 L HN 0.182 nan 8.230 nan 0.000 0.451 522 L N -0.917 120.370 121.223 0.106 0.000 2.275 522 L HA -0.143 4.188 4.340 -0.015 0.000 0.215 522 L C 2.229 179.110 176.870 0.018 0.000 1.119 522 L CA 0.684 55.565 54.840 0.068 0.000 0.790 522 L CB -0.277 41.800 42.059 0.029 0.000 0.919 522 L HN 0.164 nan 8.230 nan 0.000 0.443 523 S N -1.283 114.384 115.700 -0.055 0.000 2.660 523 S HA -0.037 4.424 4.470 -0.015 0.000 0.228 523 S C 0.597 174.890 174.600 -0.512 0.000 0.966 523 S CA 0.490 58.517 58.200 -0.290 0.000 0.940 523 S CB -0.156 62.784 63.200 -0.433 0.000 0.773 523 S HN 0.412 nan 8.310 nan 0.000 0.535 524 Y N -0.999 119.270 120.300 -0.051 0.000 2.626 524 Y HA 0.193 4.740 4.550 -0.004 0.000 0.248 524 Y C 1.720 177.702 175.900 0.137 0.000 1.147 524 Y CA -0.564 57.526 58.100 -0.016 0.000 1.219 524 Y CB -0.227 38.077 38.460 -0.260 0.000 1.279 524 Y HN 0.151 nan 8.280 nan 0.000 0.541 525 V N -2.261 117.768 119.914 0.191 0.000 2.568 525 V HA -0.221 3.890 4.120 -0.015 0.000 0.253 525 V C 0.961 177.125 176.094 0.117 0.000 1.072 525 V CA 2.248 64.641 62.300 0.154 0.000 1.084 525 V CB -0.107 31.763 31.823 0.079 0.000 0.676 525 V HN 0.288 nan 8.190 nan 0.000 0.469 526 D N -0.518 119.933 120.400 0.085 0.000 2.398 526 D HA 0.104 4.735 4.640 -0.015 0.000 0.210 526 D C 0.458 176.806 176.300 0.080 0.000 1.094 526 D CA 0.066 54.103 54.000 0.061 0.000 0.839 526 D CB 0.136 40.950 40.800 0.023 0.000 0.963 526 D HN 0.517 nan 8.370 nan 0.000 0.506 527 D N 2.113 122.596 120.400 0.139 0.000 2.346 527 D HA -0.045 4.586 4.640 -0.015 0.000 0.260 527 D C 1.181 177.590 176.300 0.181 0.000 1.252 527 D CA 0.102 54.208 54.000 0.176 0.000 0.895 527 D CB 1.182 42.175 40.800 0.321 0.000 1.097 527 D HN -0.120 nan 8.370 nan 0.000 0.489 528 E N 3.108 123.378 120.200 0.117 0.000 2.118 528 E HA -0.183 4.158 4.350 -0.015 0.000 0.195 528 E C 1.667 178.327 176.600 0.100 0.000 0.992 528 E CA 0.952 57.406 56.400 0.090 0.000 0.804 528 E CB -0.143 29.592 29.700 0.058 0.000 0.741 528 E HN 0.657 nan 8.360 nan 0.000 0.458 529 A N 0.787 123.683 122.820 0.127 0.000 1.855 529 A HA -0.157 4.154 4.320 -0.015 0.000 0.215 529 A C 2.087 179.770 177.584 0.165 0.000 1.191 529 A CA 1.100 53.210 52.037 0.122 0.000 0.613 529 A CB -0.840 18.232 19.000 0.120 0.000 0.829 529 A HN 0.235 nan 8.150 nan 0.000 0.442 530 F N 0.680 120.648 119.950 0.030 0.000 2.126 530 F HA -0.164 4.355 4.527 -0.013 0.000 0.299 530 F C 1.999 177.805 175.800 0.010 0.000 1.096 530 F CA 1.274 59.275 58.000 0.002 0.000 1.255 530 F CB -0.328 38.684 39.000 0.020 0.000 0.997 530 F HN 0.178 nan 8.300 nan 0.000 0.479 531 I N -0.524 120.074 120.570 0.047 0.000 2.286 531 I HA -0.283 3.879 4.170 -0.015 0.000 0.248 531 I C 2.737 178.806 176.117 -0.080 0.000 1.115 531 I CA 1.158 62.424 61.300 -0.058 0.000 1.392 531 I CB -0.457 37.554 38.000 0.019 0.000 1.065 531 I HN 0.063 nan 8.210 nan 0.000 0.418 532 R N 0.957 121.439 120.500 -0.031 0.000 2.062 532 R HA -0.175 4.156 4.340 -0.015 0.000 0.231 532 R C 1.835 178.100 176.300 -0.060 0.000 1.136 532 R CA 1.948 58.030 56.100 -0.031 0.000 0.948 532 R CB -0.204 30.096 30.300 -0.000 0.000 0.845 532 R HN 0.265 nan 8.270 nan 0.000 0.430 533 D N 0.188 120.549 120.400 -0.065 0.000 2.092 533 D HA -0.142 4.489 4.640 -0.015 0.000 0.193 533 D C 2.000 178.208 176.300 -0.154 0.000 0.994 533 D CA 1.280 55.232 54.000 -0.079 0.000 0.828 533 D CB -0.385 40.400 40.800 -0.025 0.000 0.963 533 D HN 0.061 nan 8.370 nan 0.000 0.450 534 V N 1.348 121.074 119.914 -0.315 0.000 2.380 534 V HA -0.273 3.839 4.120 -0.015 0.000 0.251 534 V C 2.449 178.450 176.094 -0.155 0.000 1.063 534 V CA 1.930 64.036 62.300 -0.323 0.000 1.055 534 V CB -0.770 30.744 31.823 -0.515 0.000 0.657 534 V HN 0.214 nan 8.190 nan 0.000 0.455 535 A N -0.561 122.188 122.820 -0.119 0.000 1.929 535 A HA -0.166 4.145 4.320 -0.015 0.000 0.216 535 A C 2.213 179.766 177.584 -0.052 0.000 1.176 535 A CA 1.825 53.825 52.037 -0.061 0.000 0.628 535 A CB -0.399 18.570 19.000 -0.053 0.000 0.816 535 A HN 0.421 nan 8.150 nan 0.000 0.444 536 K N -0.158 120.211 120.400 -0.053 0.000 2.097 536 K HA -0.000 4.311 4.320 -0.015 0.000 0.205 536 K C 1.717 178.300 176.600 -0.028 0.000 1.050 536 K CA 1.426 57.692 56.287 -0.036 0.000 0.938 536 K CB -0.634 31.850 32.500 -0.027 0.000 0.718 536 K HN 0.183 nan 8.250 nan 0.000 0.442 537 V N 0.874 120.767 119.914 -0.035 0.000 2.343 537 V HA -0.231 3.880 4.120 -0.015 0.000 0.247 537 V C 2.251 178.338 176.094 -0.011 0.000 1.051 537 V CA 2.033 64.320 62.300 -0.021 0.000 1.036 537 V CB -0.428 31.376 31.823 -0.032 0.000 0.654 537 V HN 0.329 nan 8.190 nan 0.000 0.451 538 K N 0.348 120.737 120.400 -0.018 0.000 2.097 538 K HA -0.181 4.130 4.320 -0.015 0.000 0.205 538 K C 2.096 178.680 176.600 -0.027 0.000 1.050 538 K CA 1.575 57.859 56.287 -0.005 0.000 0.938 538 K CB -0.315 32.194 32.500 0.015 0.000 0.718 538 K HN 0.535 nan 8.250 nan 0.000 0.442 539 Q N -0.065 119.712 119.800 -0.039 0.000 2.167 539 Q HA -0.105 4.226 4.340 -0.015 0.000 0.202 539 Q C 1.908 177.896 176.000 -0.021 0.000 0.970 539 Q CA 1.567 57.337 55.803 -0.055 0.000 0.855 539 Q CB 0.011 28.718 28.738 -0.051 0.000 0.911 539 Q HN 0.433 nan 8.270 nan 0.000 0.438 540 E N 0.386 120.586 120.200 -0.000 0.000 2.047 540 E HA -0.152 4.189 4.350 -0.015 0.000 0.191 540 E C 1.709 178.340 176.600 0.052 0.000 0.987 540 E CA 0.984 57.398 56.400 0.023 0.000 0.799 540 E CB 0.117 29.829 29.700 0.020 0.000 0.752 540 E HN 0.318 nan 8.360 nan 0.000 0.449 541 N N 0.913 119.644 118.700 0.052 0.000 2.120 541 N HA -0.155 4.576 4.740 -0.015 0.000 0.188 541 N C 1.448 177.051 175.510 0.155 0.000 1.024 541 N CA 1.115 54.219 53.050 0.091 0.000 0.852 541 N CB -0.145 38.382 38.487 0.066 0.000 1.003 541 N HN 0.094 nan 8.380 nan 0.000 0.424 542 K N 0.472 120.930 120.400 0.097 0.000 2.147 542 K HA 0.021 4.333 4.320 -0.015 0.000 0.205 542 K C 2.020 178.760 176.600 0.233 0.000 1.049 542 K CA 0.588 56.963 56.287 0.147 0.000 0.936 542 K CB -0.115 32.208 32.500 -0.294 0.000 0.722 542 K HN 0.137 nan 8.250 nan 0.000 0.446 543 L N 0.951 122.249 121.223 0.125 0.000 2.056 543 L HA -0.163 4.168 4.340 -0.015 0.000 0.207 543 L C 2.596 179.561 176.870 0.157 0.000 1.078 543 L CA 1.173 56.087 54.840 0.123 0.000 0.749 543 L CB -0.244 41.857 42.059 0.070 0.000 0.901 543 L HN 0.160 nan 8.230 nan 0.000 0.433 544 K N -0.227 120.272 120.400 0.165 0.000 2.025 544 K HA -0.223 4.088 4.320 -0.015 0.000 0.207 544 K C 2.206 178.943 176.600 0.227 0.000 1.049 544 K CA 1.576 57.964 56.287 0.168 0.000 0.933 544 K CB -0.174 32.415 32.500 0.147 0.000 0.714 544 K HN 0.057 nan 8.250 nan 0.000 0.438 545 F N 1.424 121.465 119.950 0.151 0.000 2.171 545 F HA -0.166 4.352 4.527 -0.015 0.000 0.300 545 F C 2.043 177.974 175.800 0.218 0.000 1.090 545 F CA 1.408 59.508 58.000 0.167 0.000 1.293 545 F CB -0.382 38.713 39.000 0.158 0.000 1.013 545 F HN 0.078 nan 8.300 nan 0.000 0.486 546 A N -0.005 122.972 122.820 0.261 0.000 1.972 546 A HA -0.066 4.245 4.320 -0.015 0.000 0.219 546 A C 2.381 180.003 177.584 0.062 0.000 1.169 546 A CA 1.711 53.835 52.037 0.144 0.000 0.635 546 A CB -1.412 17.708 19.000 0.200 0.000 0.810 546 A HN 0.455 nan 8.150 nan 0.000 0.446 547 A N -1.399 121.473 122.820 0.088 0.000 1.897 547 A HA -0.023 4.288 4.320 -0.015 0.000 0.215 547 A C 2.116 179.725 177.584 0.042 0.000 1.181 547 A CA 1.479 53.556 52.037 0.067 0.000 0.620 547 A CB -0.799 18.251 19.000 0.082 0.000 0.821 547 A HN 0.781 nan 8.150 nan 0.000 0.443 548 Y N -0.005 120.232 120.300 -0.104 0.000 2.181 548 Y HA -0.161 4.380 4.550 -0.014 0.000 0.288 548 Y C 1.816 177.632 175.900 -0.140 0.000 1.146 548 Y CA 1.773 59.792 58.100 -0.137 0.000 1.164 548 Y CB -0.310 38.031 38.460 -0.198 0.000 0.982 548 Y HN 0.179 nan 8.280 nan 0.000 0.515 549 L N 0.813 121.972 121.223 -0.107 0.000 2.141 549 L HA -0.133 4.199 4.340 -0.015 0.000 0.209 549 L C 2.205 179.053 176.870 -0.036 0.000 1.094 549 L CA 1.748 56.532 54.840 -0.093 0.000 0.763 549 L CB -0.697 41.275 42.059 -0.144 0.000 0.908 549 L HN 0.329 nan 8.230 nan 0.000 0.437 550 E N -0.954 119.227 120.200 -0.031 0.000 2.112 550 E HA -0.170 4.171 4.350 -0.015 0.000 0.190 550 E C 2.167 178.744 176.600 -0.039 0.000 0.979 550 E CA 0.888 57.294 56.400 0.008 0.000 0.814 550 E CB 0.027 29.756 29.700 0.048 0.000 0.762 550 E HN 0.552 nan 8.360 nan 0.000 0.460 551 R N 0.728 121.169 120.500 -0.098 0.000 2.080 551 R HA 0.042 4.374 4.340 -0.015 0.000 0.222 551 R C 1.748 177.910 176.300 -0.230 0.000 1.107 551 R CA 0.757 56.781 56.100 -0.126 0.000 0.980 551 R CB -0.163 30.076 30.300 -0.102 0.000 0.879 551 R HN -0.057 nan 8.270 nan 0.000 0.439 552 E N 0.345 120.294 120.200 -0.419 0.000 2.216 552 E HA -0.087 4.254 4.350 -0.015 0.000 0.192 552 E C 0.570 176.702 176.600 -0.780 0.000 0.988 552 E CA 1.089 57.072 56.400 -0.695 0.000 0.834 552 E CB 0.155 29.147 29.700 -1.180 0.000 0.772 552 E HN 0.555 nan 8.360 nan 0.000 0.479 553 Y N -0.707 119.459 120.300 -0.223 0.000 2.666 553 Y HA 0.285 4.826 4.550 -0.015 0.000 0.260 553 Y C 0.175 176.040 175.900 -0.059 0.000 1.089 553 Y CA -0.601 57.433 58.100 -0.111 0.000 1.246 553 Y CB 0.687 39.095 38.460 -0.087 0.000 1.353 553 Y HN -0.225 nan 8.280 nan 0.000 0.558 554 K N 1.053 121.487 120.400 0.057 0.000 3.419 554 K HA -0.183 4.128 4.320 -0.015 0.000 0.272 554 K C 0.004 176.658 176.600 0.090 0.000 0.973 554 K CA 0.291 56.611 56.287 0.055 0.000 0.749 554 K CB -0.946 31.577 32.500 0.038 0.000 1.403 554 K HN 0.279 nan 8.250 nan 0.000 0.456 555 V N -0.095 119.879 119.914 0.100 0.000 2.602 555 V HA 0.032 4.143 4.120 -0.015 0.000 0.235 555 V C 0.668 176.865 176.094 0.171 0.000 1.087 555 V CA 1.084 63.445 62.300 0.101 0.000 1.117 555 V CB -0.145 31.707 31.823 0.049 0.000 0.820 555 V HN 0.813 nan 8.190 nan 0.000 0.490 556 H N 1.409 120.489 119.070 0.016 0.000 4.135 556 H HA -0.142 4.405 4.556 -0.014 0.000 0.298 556 H C -1.241 174.102 175.328 0.025 0.000 0.730 556 H CA 0.707 56.771 56.048 0.026 0.000 0.850 556 H CB -0.929 28.850 29.762 0.028 0.000 1.269 556 H HN 0.525 nan 8.280 nan 0.000 0.324 557 I N 1.454 121.722 120.570 -0.503 0.000 3.042 557 I HA 0.443 4.604 4.170 -0.015 0.000 0.310 557 I C -0.061 175.839 176.117 -0.361 0.000 1.117 557 I CA -1.320 59.748 61.300 -0.386 0.000 1.003 557 I CB 1.884 39.786 38.000 -0.164 0.000 1.228 557 I HN 0.450 nan 8.210 nan 0.000 0.443 558 N N 4.076 122.691 118.700 -0.143 0.000 2.406 558 N HA 0.332 5.063 4.740 -0.015 0.000 0.251 558 N C -1.743 173.854 175.510 0.146 0.000 1.069 558 N CA -2.510 50.530 53.050 -0.017 0.000 0.947 558 N CB 1.038 39.531 38.487 0.010 0.000 1.111 558 N HN 0.439 nan 8.380 nan 0.000 0.497 559 P HA -0.048 nan 4.420 nan 0.000 0.229 559 P C -0.611 176.649 177.300 -0.066 0.000 1.160 559 P CA 0.853 63.999 63.100 0.077 0.000 0.777 559 P CB 0.230 31.970 31.700 0.066 0.000 0.814 560 N N 0.561 119.256 118.700 -0.009 0.000 3.234 560 N HA 0.224 4.955 4.740 -0.015 0.000 0.272 560 N C -0.416 175.091 175.510 -0.004 0.000 1.254 560 N CA -0.237 52.802 53.050 -0.018 0.000 1.087 560 N CB 0.229 38.722 38.487 0.009 0.000 1.356 560 N HN 0.139 nan 8.380 nan 0.000 0.511 561 S N -0.269 115.404 115.700 -0.045 0.000 2.615 561 S HA 0.280 4.741 4.470 -0.015 0.000 0.268 561 S C -1.189 173.290 174.600 -0.202 0.000 1.146 561 S CA -1.033 57.130 58.200 -0.061 0.000 0.818 561 S CB 1.018 64.229 63.200 0.019 0.000 1.111 561 S HN 0.231 nan 8.310 nan 0.000 0.465 562 L N 1.955 122.933 121.223 -0.409 0.000 2.319 562 L HA 0.540 4.871 4.340 -0.015 0.000 0.280 562 L C -1.220 175.584 176.870 -0.110 0.000 1.099 562 L CA -0.686 53.733 54.840 -0.701 0.000 0.828 562 L CB 0.023 41.411 42.059 -1.119 0.000 1.150 562 L HN 0.688 nan 8.230 nan 0.000 0.442 563 F N 3.653 123.439 119.950 -0.274 0.000 2.405 563 F HA 0.193 4.712 4.527 -0.014 0.000 0.358 563 F C 0.353 176.059 175.800 -0.157 0.000 1.151 563 F CA -1.013 56.890 58.000 -0.160 0.000 1.161 563 F CB 0.134 39.082 39.000 -0.087 0.000 1.245 563 F HN 0.432 nan 8.300 nan 0.000 0.545 564 D N 3.879 124.262 120.400 -0.028 0.000 2.347 564 D HA 0.357 4.988 4.640 -0.015 0.000 0.235 564 D C -0.956 175.268 176.300 -0.126 0.000 1.149 564 D CA -0.072 53.870 54.000 -0.096 0.000 0.850 564 D CB 1.030 41.760 40.800 -0.117 0.000 1.061 564 D HN 0.257 nan 8.370 nan 0.000 0.487 565 V N 1.796 121.622 119.914 -0.146 0.000 2.588 565 V HA 0.578 4.689 4.120 -0.015 0.000 0.304 565 V C -1.009 174.937 176.094 -0.247 0.000 1.042 565 V CA -0.829 61.370 62.300 -0.169 0.000 0.877 565 V CB 1.758 33.540 31.823 -0.067 0.000 0.996 565 V HN 0.497 nan 8.190 nan 0.000 0.425 566 Q N 3.793 123.453 119.800 -0.234 0.000 2.394 566 Q HA 0.658 4.989 4.340 -0.015 0.000 0.261 566 Q C -1.262 174.554 176.000 -0.307 0.000 1.023 566 Q CA -0.627 55.024 55.803 -0.254 0.000 0.720 566 Q CB 1.895 30.508 28.738 -0.209 0.000 1.241 566 Q HN 1.159 nan 8.270 nan 0.000 0.483 567 V N 1.719 121.438 119.914 -0.326 0.000 2.409 567 V HA 0.835 4.947 4.120 -0.015 0.000 0.291 567 V C -0.824 174.923 176.094 -0.578 0.000 1.020 567 V CA -0.554 61.324 62.300 -0.703 0.000 0.848 567 V CB 0.964 32.115 31.823 -1.119 0.000 0.990 567 V HN 0.791 nan 8.190 nan 0.000 0.430 568 K N 2.574 122.700 120.400 -0.457 0.000 2.772 568 K HA 0.493 4.804 4.320 -0.015 0.000 0.292 568 K C -1.185 175.407 176.600 -0.012 0.000 1.049 568 K CA -1.212 55.011 56.287 -0.106 0.000 0.846 568 K CB 0.993 33.436 32.500 -0.095 0.000 1.514 568 K HN 0.361 nan 8.250 nan 0.000 0.373 569 R N 1.173 121.736 120.500 0.104 0.000 2.585 569 R HA 0.143 4.474 4.340 -0.015 0.000 0.275 569 R C 0.288 176.638 176.300 0.082 0.000 1.018 569 R CA -0.303 55.883 56.100 0.143 0.000 1.072 569 R CB -0.222 30.210 30.300 0.219 0.000 0.953 569 R HN 0.496 nan 8.270 nan 0.000 0.419 570 I N 4.743 125.352 120.570 0.065 0.000 2.587 570 I HA 0.040 4.202 4.170 -0.015 0.000 0.284 570 I C 0.918 176.992 176.117 -0.073 0.000 1.134 570 I CA 0.819 62.107 61.300 -0.020 0.000 1.410 570 I CB -0.378 37.604 38.000 -0.030 0.000 1.392 570 I HN 0.310 nan 8.210 nan 0.000 0.545 571 H N 4.024 123.008 119.070 -0.144 0.000 3.016 571 H HA 0.234 4.781 4.556 -0.015 0.000 0.362 571 H C 0.305 175.506 175.328 -0.211 0.000 1.233 571 H CA -0.475 55.510 56.048 -0.104 0.000 1.124 571 H CB 2.174 31.767 29.762 -0.281 0.000 1.850 571 H HN 0.547 nan 8.280 nan 0.000 0.549 572 E N 0.875 121.116 120.200 0.067 0.000 2.112 572 E HA -0.140 4.201 4.350 -0.015 0.000 0.190 572 E C 1.373 177.676 176.600 -0.495 0.000 0.979 572 E CA 0.854 57.192 56.400 -0.104 0.000 0.814 572 E CB 0.117 29.887 29.700 0.118 0.000 0.762 572 E HN 0.505 nan 8.360 nan 0.000 0.460 573 Y N 0.340 120.087 120.300 -0.923 0.000 2.509 573 Y HA 0.043 4.584 4.550 -0.015 0.000 0.293 573 Y C 1.473 177.111 175.900 -0.436 0.000 1.133 573 Y CA 0.713 58.115 58.100 -1.163 0.000 1.283 573 Y CB -0.034 37.796 38.460 -1.050 0.000 1.001 573 Y HN -0.213 nan 8.280 nan 0.000 0.555 574 K N 0.801 120.784 120.400 -0.694 0.000 2.418 574 K HA 0.113 4.424 4.320 -0.015 0.000 0.195 574 K C 0.098 176.538 176.600 -0.266 0.000 1.035 574 K CA 0.261 56.241 56.287 -0.513 0.000 1.003 574 K CB 0.030 32.218 32.500 -0.520 0.000 0.793 574 K HN 0.197 nan 8.250 nan 0.000 0.494 575 R N 0.412 120.778 120.500 -0.224 0.000 3.264 575 R HA -0.248 4.083 4.340 -0.015 0.000 0.251 575 R C 0.150 176.368 176.300 -0.137 0.000 0.971 575 R CA 0.212 56.226 56.100 -0.144 0.000 0.658 575 R CB -1.850 28.384 30.300 -0.109 0.000 1.095 575 R HN 0.305 nan 8.270 nan 0.000 0.443 576 Q N 0.279 119.999 119.800 -0.134 0.000 2.364 576 Q HA 0.032 4.363 4.340 -0.015 0.000 0.207 576 Q C 2.028 177.974 176.000 -0.089 0.000 0.970 576 Q CA 0.997 56.733 55.803 -0.112 0.000 0.888 576 Q CB 0.130 28.807 28.738 -0.102 0.000 0.951 576 Q HN 0.576 nan 8.270 nan 0.000 0.469 577 L N -0.664 120.507 121.223 -0.086 0.000 2.109 577 L HA -0.154 4.177 4.340 -0.015 0.000 0.207 577 L C 1.928 178.789 176.870 -0.015 0.000 1.086 577 L CA 0.492 55.294 54.840 -0.063 0.000 0.760 577 L CB -0.243 41.785 42.059 -0.051 0.000 0.910 577 L HN 0.327 nan 8.230 nan 0.000 0.437 578 L N 0.205 121.411 121.223 -0.028 0.000 2.012 578 L HA -0.279 4.052 4.340 -0.015 0.000 0.210 578 L C 2.040 178.954 176.870 0.072 0.000 1.073 578 L CA 2.108 56.944 54.840 -0.006 0.000 0.748 578 L CB -0.858 41.084 42.059 -0.196 0.000 0.891 578 L HN 0.297 nan 8.230 nan 0.000 0.431 579 N N -1.803 116.902 118.700 0.009 0.000 2.149 579 N HA -0.241 4.490 4.740 -0.015 0.000 0.188 579 N C 1.907 177.496 175.510 0.132 0.000 1.019 579 N CA 1.510 54.656 53.050 0.159 0.000 0.857 579 N CB -0.124 38.388 38.487 0.041 0.000 0.997 579 N HN 0.515 nan 8.380 nan 0.000 0.426 580 C N 0.267 119.583 119.300 0.026 0.000 2.453 580 C HA -0.032 4.420 4.460 -0.015 0.000 0.277 580 C C 2.583 177.572 174.990 -0.001 0.000 1.262 580 C CA 0.257 59.242 59.018 -0.054 0.000 1.718 580 C CB -1.186 26.475 27.740 -0.132 0.000 2.031 580 C HN 0.508 nan 8.230 nan 0.000 0.480 581 L N -0.136 121.146 121.223 0.098 0.000 2.012 581 L HA -0.241 4.091 4.340 -0.015 0.000 0.210 581 L C 2.778 179.822 176.870 0.291 0.000 1.073 581 L CA 2.072 57.020 54.840 0.179 0.000 0.748 581 L CB -1.064 41.150 42.059 0.257 0.000 0.891 581 L HN 0.586 nan 8.230 nan 0.000 0.431 582 H N -0.393 118.832 119.070 0.259 0.000 2.387 582 H HA -0.149 4.398 4.556 -0.015 0.000 0.299 582 H C 2.201 177.551 175.328 0.037 0.000 1.099 582 H CA 1.871 58.004 56.048 0.142 0.000 1.315 582 H CB 0.315 30.123 29.762 0.077 0.000 1.380 582 H HN 0.127 nan 8.280 nan 0.000 0.513 583 V N 1.333 121.133 119.914 -0.191 0.000 2.427 583 V HA -0.234 3.877 4.120 -0.015 0.000 0.248 583 V C 2.722 178.736 176.094 -0.134 0.000 1.051 583 V CA 1.652 63.791 62.300 -0.268 0.000 1.048 583 V CB -0.383 31.335 31.823 -0.174 0.000 0.666 583 V HN 0.394 nan 8.190 nan 0.000 0.456 584 I N -0.345 120.197 120.570 -0.045 0.000 2.546 584 I HA -0.172 3.989 4.170 -0.015 0.000 0.255 584 I C 2.423 178.632 176.117 0.153 0.000 1.163 584 I CA 1.309 62.669 61.300 0.099 0.000 1.457 584 I CB -0.518 37.542 38.000 0.100 0.000 1.092 584 I HN 0.301 nan 8.210 nan 0.000 0.434 585 T N 1.359 115.960 114.554 0.079 0.000 2.708 585 T HA -0.101 4.240 4.350 -0.015 0.000 0.266 585 T C 1.961 176.654 174.700 -0.011 0.000 1.037 585 T CA 1.194 63.342 62.100 0.080 0.000 1.146 585 T CB -0.248 68.699 68.868 0.133 0.000 0.865 585 T HN 0.254 nan 8.240 nan 0.000 0.435 586 L N -0.249 120.900 121.223 -0.124 0.000 2.131 586 L HA -0.111 4.221 4.340 -0.015 0.000 0.210 586 L C 2.377 179.228 176.870 -0.033 0.000 1.092 586 L CA 1.429 56.184 54.840 -0.142 0.000 0.759 586 L CB -0.517 41.380 42.059 -0.269 0.000 0.903 586 L HN 0.310 nan 8.230 nan 0.000 0.435 587 Y N 1.198 121.452 120.300 -0.077 0.000 2.184 587 Y HA -0.166 4.375 4.550 -0.015 0.000 0.290 587 Y C 2.475 178.374 175.900 -0.001 0.000 1.129 587 Y CA 1.466 59.558 58.100 -0.013 0.000 1.144 587 Y CB -0.211 38.290 38.460 0.068 0.000 0.995 587 Y HN 0.168 nan 8.280 nan 0.000 0.513 588 N N 0.428 119.076 118.700 -0.088 0.000 2.244 588 N HA -0.123 4.609 4.740 -0.015 0.000 0.183 588 N C 1.889 177.294 175.510 -0.176 0.000 1.016 588 N CA 1.349 54.289 53.050 -0.184 0.000 0.866 588 N CB -0.333 38.129 38.487 -0.042 0.000 0.980 588 N HN 0.426 nan 8.380 nan 0.000 0.430 589 R N 0.439 120.869 120.500 -0.117 0.000 2.075 589 R HA 0.083 4.415 4.340 -0.015 0.000 0.232 589 R C 2.238 178.461 176.300 -0.129 0.000 1.126 589 R CA 0.754 56.792 56.100 -0.103 0.000 0.963 589 R CB -0.285 29.968 30.300 -0.079 0.000 0.858 589 R HN 0.200 nan 8.270 nan 0.000 0.435 590 I N 0.995 121.472 120.570 -0.156 0.000 2.226 590 I HA -0.288 3.873 4.170 -0.015 0.000 0.245 590 I C 2.071 178.079 176.117 -0.182 0.000 1.100 590 I CA 1.220 62.428 61.300 -0.153 0.000 1.374 590 I CB -0.113 37.802 38.000 -0.142 0.000 1.057 590 I HN 0.009 nan 8.210 nan 0.000 0.413 591 K N 0.649 120.874 120.400 -0.291 0.000 2.097 591 K HA -0.195 4.116 4.320 -0.015 0.000 0.206 591 K C 2.018 178.516 176.600 -0.170 0.000 1.049 591 K CA 1.261 57.382 56.287 -0.276 0.000 0.933 591 K CB -0.382 31.864 32.500 -0.423 0.000 0.717 591 K HN 0.114 nan 8.250 nan 0.000 0.442 592 K N 1.375 121.682 120.400 -0.155 0.000 2.002 592 K HA -0.086 4.226 4.320 -0.015 0.000 0.209 592 K C 0.117 176.669 176.600 -0.079 0.000 1.048 592 K CA 1.362 57.585 56.287 -0.106 0.000 0.930 592 K CB 0.210 32.653 32.500 -0.095 0.000 0.714 592 K HN 0.119 nan 8.250 nan 0.000 0.438 593 E N -0.177 119.977 120.200 -0.077 0.000 2.683 593 E HA 0.146 4.487 4.350 -0.015 0.000 0.224 593 E C -2.248 174.320 176.600 -0.053 0.000 1.046 593 E CA -1.642 54.726 56.400 -0.053 0.000 0.811 593 E CB 1.524 31.200 29.700 -0.041 0.000 1.296 593 E HN 0.103 nan 8.360 nan 0.000 0.421 594 P HA -0.174 nan 4.420 nan 0.000 0.216 594 P C 0.619 177.907 177.300 -0.020 0.000 1.150 594 P CA 1.086 64.161 63.100 -0.042 0.000 0.837 594 P CB 0.262 31.941 31.700 -0.035 0.000 0.786 595 N N -0.751 117.944 118.700 -0.008 0.000 2.461 595 N HA -0.036 4.695 4.740 -0.015 0.000 0.188 595 N C 0.603 176.132 175.510 0.032 0.000 1.134 595 N CA 0.363 53.421 53.050 0.013 0.000 0.878 595 N CB -0.156 38.338 38.487 0.012 0.000 0.972 595 N HN 0.282 nan 8.380 nan 0.000 0.456 596 K N 1.086 121.496 120.400 0.018 0.000 2.312 596 K HA 0.065 4.376 4.320 -0.015 0.000 0.287 596 K C -0.600 176.036 176.600 0.059 0.000 1.062 596 K CA -0.533 55.779 56.287 0.042 0.000 0.934 596 K CB 0.359 32.864 32.500 0.008 0.000 1.027 596 K HN -0.139 nan 8.250 nan 0.000 0.478 597 F N 5.811 125.747 119.950 -0.022 0.000 2.578 597 F HA 0.147 4.665 4.527 -0.015 0.000 0.376 597 F C -0.591 175.193 175.800 -0.026 0.000 1.085 597 F CA -0.019 57.969 58.000 -0.021 0.000 1.260 597 F CB 0.507 39.497 39.000 -0.017 0.000 1.095 597 F HN 0.204 nan 8.300 nan 0.000 0.573 598 V N 4.457 123.757 119.914 -1.023 0.000 2.876 598 V HA 0.488 4.599 4.120 -0.015 0.000 0.312 598 V C -0.538 174.881 176.094 -1.124 0.000 1.085 598 V CA -1.306 60.504 62.300 -0.817 0.000 0.945 598 V CB 1.025 32.614 31.823 -0.389 0.000 1.017 598 V HN 0.595 nan 8.190 nan 0.000 0.428 599 V N 4.480 124.000 119.914 -0.657 0.000 2.485 599 V HA 0.177 4.288 4.120 -0.015 0.000 0.287 599 V C -1.862 174.043 176.094 -0.316 0.000 1.022 599 V CA -0.588 61.487 62.300 -0.376 0.000 1.067 599 V CB 0.520 32.255 31.823 -0.148 0.000 0.967 599 V HN 0.873 nan 8.190 nan 0.000 0.479 600 P HA 0.229 nan 4.420 nan 0.000 0.265 600 P C -0.319 176.869 177.300 -0.186 0.000 1.193 600 P CA 0.178 63.175 63.100 -0.173 0.000 0.765 600 P CB 0.465 32.112 31.700 -0.087 0.000 0.823 601 R N 1.186 121.592 120.500 -0.157 0.000 2.725 601 R HA 0.556 4.887 4.340 -0.015 0.000 0.277 601 R C -0.883 175.359 176.300 -0.097 0.000 0.987 601 R CA -0.577 55.429 56.100 -0.156 0.000 0.901 601 R CB 2.011 32.200 30.300 -0.184 0.000 1.207 601 R HN 0.279 nan 8.270 nan 0.000 0.463 602 T N 2.351 116.867 114.554 -0.064 0.000 2.977 602 T HA 0.214 4.555 4.350 -0.015 0.000 0.346 602 T C -0.522 174.083 174.700 -0.158 0.000 1.140 602 T CA -0.457 61.579 62.100 -0.106 0.000 1.040 602 T CB 0.840 69.628 68.868 -0.133 0.000 1.046 602 T HN 0.178 nan 8.240 nan 0.000 0.494 603 V N 5.312 125.136 119.914 -0.151 0.000 2.427 603 V HA 0.398 4.509 4.120 -0.015 0.000 0.268 603 V C 0.223 176.214 176.094 -0.172 0.000 1.046 603 V CA -0.286 61.924 62.300 -0.150 0.000 0.970 603 V CB 0.378 32.124 31.823 -0.129 0.000 1.001 603 V HN 0.827 nan 8.190 nan 0.000 0.476 604 M N 6.562 126.044 119.600 -0.197 0.000 2.125 604 M HA 0.586 5.057 4.480 -0.015 0.000 0.321 604 M C -0.936 175.212 176.300 -0.253 0.000 0.983 604 M CA -0.095 55.071 55.300 -0.224 0.000 0.934 604 M CB 1.730 34.178 32.600 -0.253 0.000 1.542 604 M HN 0.475 nan 8.290 nan 0.000 0.424 605 I N 1.999 122.385 120.570 -0.305 0.000 2.474 605 I HA 0.851 5.012 4.170 -0.015 0.000 0.294 605 I C 0.231 175.874 176.117 -0.789 0.000 1.005 605 I CA -0.698 60.369 61.300 -0.388 0.000 1.113 605 I CB 2.216 40.085 38.000 -0.218 0.000 1.289 605 I HN 0.768 nan 8.210 nan 0.000 0.436 606 G N 2.786 111.141 108.800 -0.743 0.000 2.692 606 G HA2 0.815 4.767 3.960 -0.015 0.000 0.291 606 G HA3 0.815 4.767 3.960 -0.015 0.000 0.291 606 G C -0.999 173.590 174.900 -0.517 0.000 1.423 606 G CA -0.677 43.889 45.100 -0.890 0.000 0.843 606 G HN 1.010 nan 8.290 nan 0.000 0.486 607 G N -0.543 108.148 108.800 -0.182 0.000 2.337 607 G HA2 0.405 4.356 3.960 -0.015 0.000 0.310 607 G HA3 0.405 4.356 3.960 -0.015 0.000 0.310 607 G C -1.371 173.673 174.900 0.239 0.000 1.534 607 G CA -1.012 44.136 45.100 0.080 0.000 0.982 607 G HN 0.600 nan 8.290 nan 0.000 0.672 608 K N -0.149 120.384 120.400 0.222 0.000 2.110 608 K HA 0.767 5.078 4.320 -0.015 0.000 0.263 608 K C 0.324 177.073 176.600 0.247 0.000 0.975 608 K CA -0.076 56.353 56.287 0.238 0.000 0.895 608 K CB 1.947 34.464 32.500 0.028 0.000 1.060 608 K HN 0.931 nan 8.250 nan 0.000 0.448 609 A N 1.514 124.522 122.820 0.313 0.000 2.305 609 A HA 0.657 4.968 4.320 -0.015 0.000 0.322 609 A C -0.537 177.252 177.584 0.342 0.000 1.187 609 A CA -0.713 51.450 52.037 0.210 0.000 0.825 609 A CB 1.001 20.046 19.000 0.074 0.000 1.164 609 A HN 0.764 nan 8.150 nan 0.000 0.498 610 A N 3.706 126.712 122.820 0.311 0.000 2.488 610 A HA 0.566 4.877 4.320 -0.015 0.000 0.249 610 A C -2.413 175.308 177.584 0.228 0.000 1.083 610 A CA -1.120 51.116 52.037 0.331 0.000 0.768 610 A CB -0.602 18.579 19.000 0.302 0.000 1.017 610 A HN 0.573 nan 8.150 nan 0.000 0.496 611 P HA 0.262 nan 4.420 nan 0.000 0.265 611 P C 1.066 178.419 177.300 0.089 0.000 1.193 611 P CA 1.679 64.781 63.100 0.002 0.000 0.765 611 P CB 0.711 32.343 31.700 -0.113 0.000 0.823 612 G N 1.866 110.717 108.800 0.084 0.000 2.195 612 G HA2 -0.283 3.669 3.960 -0.015 0.000 0.246 612 G HA3 -0.283 3.669 3.960 -0.015 0.000 0.246 612 G C -0.146 174.868 174.900 0.189 0.000 0.984 612 G CA -0.328 44.842 45.100 0.117 0.000 0.633 612 G HN 0.558 nan 8.290 nan 0.000 0.525 613 Y N 3.169 123.485 120.300 0.025 0.000 2.691 613 Y HA 0.400 4.942 4.550 -0.015 0.000 0.338 613 Y C 1.483 177.398 175.900 0.024 0.000 1.148 613 Y CA -0.717 57.370 58.100 -0.023 0.000 1.430 613 Y CB -0.920 37.491 38.460 -0.082 0.000 1.303 613 Y HN 0.435 nan 8.280 nan 0.000 0.499 614 H N 3.646 122.834 119.070 0.197 0.000 2.265 614 H HA -0.262 4.285 4.556 -0.015 0.000 0.293 614 H C 1.674 176.999 175.328 -0.005 0.000 1.089 614 H CA 2.511 58.608 56.048 0.080 0.000 1.244 614 H CB 0.351 30.160 29.762 0.079 0.000 1.355 614 H HN 0.595 nan 8.280 nan 0.000 0.485 615 M N 1.041 120.546 119.600 -0.158 0.000 2.106 615 M HA -0.146 4.325 4.480 -0.015 0.000 0.259 615 M C 2.592 178.591 176.300 -0.503 0.000 1.068 615 M CA 1.942 57.053 55.300 -0.314 0.000 1.100 615 M CB -0.932 31.622 32.600 -0.076 0.000 1.351 615 M HN 0.403 nan 8.290 nan 0.000 0.404 616 A N -0.559 121.698 122.820 -0.939 0.000 1.933 616 A HA -0.196 4.115 4.320 -0.015 0.000 0.218 616 A C 2.173 179.539 177.584 -0.363 0.000 1.175 616 A CA 1.852 53.404 52.037 -0.808 0.000 0.628 616 A CB -0.631 17.659 19.000 -1.184 0.000 0.814 616 A HN 0.592 nan 8.150 nan 0.000 0.444 617 K N -1.196 119.055 120.400 -0.249 0.000 2.228 617 K HA 0.047 4.358 4.320 -0.015 0.000 0.202 617 K C 1.755 178.343 176.600 -0.019 0.000 1.051 617 K CA 0.801 57.053 56.287 -0.058 0.000 0.960 617 K CB -0.161 32.372 32.500 0.055 0.000 0.743 617 K HN 0.355 nan 8.250 nan 0.000 0.458 618 M N 0.607 120.133 119.600 -0.124 0.000 2.200 618 M HA -0.029 4.442 4.480 -0.015 0.000 0.265 618 M C 2.125 178.357 176.300 -0.113 0.000 1.066 618 M CA 1.265 56.526 55.300 -0.065 0.000 1.127 618 M CB -0.524 31.980 32.600 -0.160 0.000 1.379 618 M HN 0.097 nan 8.290 nan 0.000 0.420 619 I N -0.129 120.332 120.570 -0.180 0.000 2.252 619 I HA -0.283 3.878 4.170 -0.015 0.000 0.245 619 I C 2.242 178.231 176.117 -0.213 0.000 1.102 619 I CA 0.985 62.169 61.300 -0.194 0.000 1.385 619 I CB -0.195 37.691 38.000 -0.191 0.000 1.064 619 I HN 0.164 nan 8.210 nan 0.000 0.414 620 I N 0.635 121.066 120.570 -0.231 0.000 2.286 620 I HA -0.287 3.874 4.170 -0.015 0.000 0.248 620 I C 2.527 178.359 176.117 -0.475 0.000 1.115 620 I CA 1.136 62.203 61.300 -0.388 0.000 1.392 620 I CB -0.311 37.434 38.000 -0.426 0.000 1.065 620 I HN 0.162 nan 8.210 nan 0.000 0.418 621 K N 1.426 121.576 120.400 -0.418 0.000 2.097 621 K HA -0.177 4.134 4.320 -0.015 0.000 0.205 621 K C 1.937 178.352 176.600 -0.308 0.000 1.050 621 K CA 1.350 57.299 56.287 -0.563 0.000 0.938 621 K CB -0.410 31.492 32.500 -0.998 0.000 0.718 621 K HN 0.130 nan 8.250 nan 0.000 0.442 622 L N 0.693 121.749 121.223 -0.278 0.000 2.056 622 L HA 0.050 4.381 4.340 -0.015 0.000 0.207 622 L C 1.896 178.518 176.870 -0.414 0.000 1.078 622 L CA 1.511 56.032 54.840 -0.530 0.000 0.749 622 L CB -0.354 41.268 42.059 -0.728 0.000 0.901 622 L HN 0.243 nan 8.230 nan 0.000 0.433 623 I N -0.383 120.006 120.570 -0.303 0.000 2.248 623 I HA -0.330 3.831 4.170 -0.015 0.000 0.248 623 I C 2.276 178.286 176.117 -0.179 0.000 1.107 623 I CA 1.885 63.069 61.300 -0.193 0.000 1.373 623 I CB -0.867 37.135 38.000 0.004 0.000 1.055 623 I HN 0.516 nan 8.210 nan 0.000 0.418 624 T N -1.735 112.685 114.554 -0.223 0.000 3.043 624 T HA 0.176 4.517 4.350 -0.015 0.000 0.263 624 T C 1.896 176.511 174.700 -0.142 0.000 1.094 624 T CA 0.591 62.589 62.100 -0.171 0.000 1.127 624 T CB -0.008 68.726 68.868 -0.223 0.000 0.905 624 T HN 0.294 nan 8.240 nan 0.000 0.490 625 A N 1.712 124.436 122.820 -0.159 0.000 1.897 625 A HA 0.215 4.527 4.320 -0.015 0.000 0.215 625 A C 2.292 179.823 177.584 -0.089 0.000 1.181 625 A CA 1.049 53.058 52.037 -0.047 0.000 0.620 625 A CB -0.774 18.310 19.000 0.139 0.000 0.821 625 A HN 0.541 nan 8.150 nan 0.000 0.443 626 I N -0.077 120.296 120.570 -0.328 0.000 2.163 626 I HA -0.223 3.938 4.170 -0.015 0.000 0.243 626 I C 2.688 178.672 176.117 -0.221 0.000 1.085 626 I CA 1.218 62.231 61.300 -0.477 0.000 1.347 626 I CB -0.588 37.053 38.000 -0.598 0.000 1.044 626 I HN 0.394 nan 8.210 nan 0.000 0.408 627 G N 0.230 108.923 108.800 -0.179 0.000 2.450 627 G HA2 -0.242 3.710 3.960 -0.015 0.000 0.220 627 G HA3 -0.242 3.710 3.960 -0.015 0.000 0.220 627 G C 1.259 176.092 174.900 -0.113 0.000 1.130 627 G CA 0.879 45.892 45.100 -0.144 0.000 0.760 627 G HN 0.305 nan 8.290 nan 0.000 0.557 628 D N -0.094 120.299 120.400 -0.012 0.000 2.264 628 D HA -0.043 4.588 4.640 -0.015 0.000 0.208 628 D C 2.559 178.967 176.300 0.180 0.000 0.966 628 D CA 0.510 54.595 54.000 0.142 0.000 0.864 628 D CB 0.225 41.078 40.800 0.088 0.000 0.933 628 D HN 0.290 nan 8.370 nan 0.000 0.499 629 V N -0.049 119.879 119.914 0.023 0.000 2.490 629 V HA -0.102 4.010 4.120 -0.015 0.000 0.238 629 V C 2.575 178.591 176.094 -0.131 0.000 1.056 629 V CA 0.428 62.696 62.300 -0.054 0.000 1.075 629 V CB -0.305 31.436 31.823 -0.138 0.000 0.746 629 V HN -0.034 nan 8.190 nan 0.000 0.479 630 V N 1.369 121.121 119.914 -0.270 0.000 2.219 630 V HA -0.300 3.811 4.120 -0.015 0.000 0.248 630 V C 2.201 178.195 176.094 -0.166 0.000 1.053 630 V CA 2.510 64.635 62.300 -0.291 0.000 1.009 630 V CB -1.024 30.636 31.823 -0.272 0.000 0.636 630 V HN 0.596 nan 8.190 nan 0.000 0.445 631 N N -0.260 118.268 118.700 -0.287 0.000 2.588 631 N HA -0.135 4.596 4.740 -0.015 0.000 0.190 631 N C 1.096 176.265 175.510 -0.569 0.000 1.094 631 N CA 1.111 53.904 53.050 -0.428 0.000 0.921 631 N CB -0.427 37.734 38.487 -0.543 0.000 0.959 631 N HN 0.754 nan 8.380 nan 0.000 0.448 632 H N -1.883 117.192 119.070 0.009 0.000 2.785 632 H HA 0.218 4.765 4.556 -0.014 0.000 0.268 632 H C -0.595 174.758 175.328 0.042 0.000 1.153 632 H CA -0.562 55.497 56.048 0.019 0.000 1.111 632 H CB 0.612 30.374 29.762 0.000 0.000 1.633 632 H HN -0.033 nan 8.280 nan 0.000 0.576 633 D N 2.532 123.005 120.400 0.122 0.000 2.316 633 D HA 0.032 4.664 4.640 -0.015 0.000 0.245 633 D C -1.376 174.992 176.300 0.113 0.000 1.171 633 D CA -2.216 51.878 54.000 0.158 0.000 0.856 633 D CB 1.740 42.709 40.800 0.281 0.000 1.090 633 D HN 0.142 nan 8.370 nan 0.000 0.476 634 P HA -0.149 nan 4.420 nan 0.000 0.216 634 P C 1.633 178.966 177.300 0.054 0.000 1.150 634 P CA 0.490 63.629 63.100 0.066 0.000 0.837 634 P CB 0.442 32.175 31.700 0.055 0.000 0.786 635 V N 0.179 120.125 119.914 0.054 0.000 2.392 635 V HA -0.187 3.924 4.120 -0.015 0.000 0.249 635 V C 2.808 178.919 176.094 0.029 0.000 1.059 635 V CA 1.636 63.955 62.300 0.031 0.000 1.051 635 V CB -1.096 30.736 31.823 0.015 0.000 0.658 635 V HN -0.039 nan 8.190 nan 0.000 0.455 636 V N -0.373 119.576 119.914 0.059 0.000 2.453 636 V HA 0.082 4.193 4.120 -0.015 0.000 0.247 636 V C 1.822 177.937 176.094 0.034 0.000 1.048 636 V CA 1.346 63.681 62.300 0.059 0.000 1.049 636 V CB -1.200 30.704 31.823 0.135 0.000 0.672 636 V HN 0.743 nan 8.190 nan 0.000 0.457 637 G N 1.723 110.547 108.800 0.041 0.000 2.594 637 G HA2 -0.361 3.590 3.960 -0.015 0.000 0.297 637 G HA3 -0.361 3.590 3.960 -0.015 0.000 0.297 637 G C 0.329 175.247 174.900 0.030 0.000 1.273 637 G CA 0.443 45.565 45.100 0.036 0.000 0.974 637 G HN 0.651 nan 8.290 nan 0.000 0.552 638 D N 0.477 120.896 120.400 0.031 0.000 2.561 638 D HA 0.171 4.802 4.640 -0.015 0.000 0.232 638 D C 1.684 177.980 176.300 -0.007 0.000 1.198 638 D CA -0.044 53.972 54.000 0.027 0.000 0.826 638 D CB 0.143 40.977 40.800 0.055 0.000 0.992 638 D HN 0.544 nan 8.370 nan 0.000 0.490 639 R N -0.541 119.945 120.500 -0.025 0.000 2.173 639 R HA 0.241 4.572 4.340 -0.015 0.000 0.208 639 R C 0.182 176.432 176.300 -0.083 0.000 1.035 639 R CA 0.204 56.262 56.100 -0.070 0.000 1.004 639 R CB 0.396 30.643 30.300 -0.088 0.000 0.917 639 R HN 0.111 nan 8.270 nan 0.000 0.462 640 L N 0.139 121.330 121.223 -0.054 0.000 2.482 640 L HA 0.463 4.794 4.340 -0.015 0.000 0.263 640 L C -1.727 175.106 176.870 -0.062 0.000 0.957 640 L CA -0.601 54.199 54.840 -0.066 0.000 0.836 640 L CB 1.987 44.016 42.059 -0.049 0.000 1.324 640 L HN -0.173 nan 8.230 nan 0.000 0.406 641 R N 3.786 124.234 120.500 -0.087 0.000 2.533 641 R HA 0.642 4.974 4.340 -0.015 0.000 0.288 641 R C -1.711 174.518 176.300 -0.119 0.000 1.039 641 R CA -0.693 55.347 56.100 -0.099 0.000 0.909 641 R CB 2.120 32.367 30.300 -0.089 0.000 1.195 641 R HN 0.445 nan 8.270 nan 0.000 0.438 642 V N 3.409 123.247 119.914 -0.127 0.000 2.328 642 V HA 0.541 4.652 4.120 -0.015 0.000 0.278 642 V C 0.176 176.211 176.094 -0.099 0.000 1.021 642 V CA -0.837 61.388 62.300 -0.125 0.000 0.838 642 V CB 1.215 32.952 31.823 -0.143 0.000 0.999 642 V HN 0.540 nan 8.190 nan 0.000 0.447 643 I N 4.789 125.303 120.570 -0.094 0.000 2.498 643 I HA 0.524 4.686 4.170 -0.015 0.000 0.290 643 I C -0.909 175.182 176.117 -0.044 0.000 1.032 643 I CA -0.585 60.678 61.300 -0.062 0.000 1.073 643 I CB 2.011 39.956 38.000 -0.090 0.000 1.251 643 I HN 0.603 nan 8.210 nan 0.000 0.426 644 F N 7.594 127.476 119.950 -0.113 0.000 2.405 644 F HA 0.550 5.069 4.527 -0.014 0.000 0.355 644 F C -0.785 174.953 175.800 -0.103 0.000 1.121 644 F CA -0.576 57.361 58.000 -0.106 0.000 1.112 644 F CB 0.720 39.660 39.000 -0.100 0.000 1.126 644 F HN 0.179 nan 8.300 nan 0.000 0.481 645 L N 6.640 127.583 121.223 -0.467 0.000 2.283 645 L HA 0.297 4.628 4.340 -0.015 0.000 0.287 645 L C 0.130 176.903 176.870 -0.163 0.000 1.073 645 L CA -0.589 54.099 54.840 -0.253 0.000 0.822 645 L CB 0.475 42.442 42.059 -0.153 0.000 1.186 645 L HN 0.616 nan 8.230 nan 0.000 0.436 646 E N 2.986 123.187 120.200 0.002 0.000 2.349 646 E HA 0.100 4.441 4.350 -0.015 0.000 0.265 646 E C 0.005 176.726 176.600 0.202 0.000 1.064 646 E CA -0.770 55.753 56.400 0.204 0.000 0.886 646 E CB 0.602 30.434 29.700 0.221 0.000 1.036 646 E HN 0.536 nan 8.360 nan 0.000 0.413 647 N N 0.576 119.431 118.700 0.259 0.000 2.756 647 N HA -0.242 4.489 4.740 -0.015 0.000 0.248 647 N C -1.633 173.994 175.510 0.195 0.000 1.062 647 N CA 0.423 53.607 53.050 0.223 0.000 0.696 647 N CB -1.661 36.972 38.487 0.245 0.000 0.946 647 N HN 0.606 nan 8.380 nan 0.000 0.548 648 Y N 1.865 122.203 120.300 0.063 0.000 2.569 648 Y HA 0.210 4.751 4.550 -0.015 0.000 0.332 648 Y C 1.038 176.963 175.900 0.043 0.000 1.120 648 Y CA 0.204 58.319 58.100 0.025 0.000 1.416 648 Y CB 0.244 38.689 38.460 -0.026 0.000 1.210 648 Y HN 0.301 nan 8.280 nan 0.000 0.528 649 R N 2.943 123.162 120.500 -0.468 0.000 2.795 649 R HA 0.457 4.789 4.340 -0.015 0.000 0.268 649 R C -0.192 175.772 176.300 -0.559 0.000 1.041 649 R CA -0.657 55.208 56.100 -0.393 0.000 0.927 649 R CB 0.527 30.759 30.300 -0.113 0.000 1.235 649 R HN 0.396 nan 8.270 nan 0.000 0.463 650 V N 0.816 120.412 119.914 -0.532 0.000 2.317 650 V HA -0.278 3.833 4.120 -0.015 0.000 0.251 650 V C 2.456 178.406 176.094 -0.240 0.000 1.065 650 V CA 2.747 64.801 62.300 -0.411 0.000 1.049 650 V CB -0.588 30.974 31.823 -0.434 0.000 0.651 650 V HN 0.907 nan 8.190 nan 0.000 0.450 651 S N -0.794 114.789 115.700 -0.196 0.000 2.382 651 S HA -0.151 4.310 4.470 -0.015 0.000 0.228 651 S C 1.821 176.365 174.600 -0.093 0.000 1.027 651 S CA 1.642 59.767 58.200 -0.126 0.000 0.991 651 S CB -0.245 62.915 63.200 -0.066 0.000 0.823 651 S HN 0.424 nan 8.310 nan 0.000 0.469 652 L N 1.641 122.809 121.223 -0.090 0.000 2.131 652 L HA 0.291 4.622 4.340 -0.015 0.000 0.206 652 L C 2.430 179.307 176.870 0.012 0.000 1.087 652 L CA 1.743 56.576 54.840 -0.012 0.000 0.767 652 L CB -1.256 40.857 42.059 0.090 0.000 0.917 652 L HN 0.284 nan 8.230 nan 0.000 0.441 653 A N -0.580 122.202 122.820 -0.064 0.000 1.917 653 A HA -0.260 4.051 4.320 -0.015 0.000 0.219 653 A C 2.135 179.776 177.584 0.095 0.000 1.182 653 A CA 1.987 54.065 52.037 0.069 0.000 0.633 653 A CB -0.661 18.353 19.000 0.023 0.000 0.819 653 A HN 0.602 nan 8.150 nan 0.000 0.448 654 E N -0.738 119.507 120.200 0.074 0.000 2.338 654 E HA -0.135 4.206 4.350 -0.015 0.000 0.197 654 E C 1.828 178.422 176.600 -0.011 0.000 1.007 654 E CA 1.062 57.479 56.400 0.028 0.000 0.849 654 E CB -0.014 29.613 29.700 -0.121 0.000 0.774 654 E HN 0.632 nan 8.360 nan 0.000 0.506 655 K N -0.191 120.197 120.400 -0.020 0.000 2.190 655 K HA 0.049 4.360 4.320 -0.015 0.000 0.202 655 K C 2.068 178.641 176.600 -0.045 0.000 1.045 655 K CA 0.232 56.531 56.287 0.020 0.000 0.976 655 K CB 0.075 32.563 32.500 -0.020 0.000 0.849 655 K HN -0.081 nan 8.250 nan 0.000 0.468 656 V N 1.964 121.727 119.914 -0.252 0.000 2.379 656 V HA -0.170 3.941 4.120 -0.015 0.000 0.245 656 V C 1.951 177.781 176.094 -0.440 0.000 1.044 656 V CA 1.390 63.208 62.300 -0.803 0.000 1.036 656 V CB -0.168 31.242 31.823 -0.689 0.000 0.664 656 V HN 0.255 nan 8.190 nan 0.000 0.453 657 I N 0.615 120.987 120.570 -0.330 0.000 2.127 657 I HA -0.171 3.990 4.170 -0.015 0.000 0.241 657 I C -0.265 175.720 176.117 -0.220 0.000 1.075 657 I CA 1.864 62.885 61.300 -0.466 0.000 1.334 657 I CB -1.576 36.050 38.000 -0.623 0.000 1.040 657 I HN 0.366 nan 8.210 nan 0.000 0.405 658 P HA -0.121 nan 4.420 nan 0.000 0.228 658 P C 0.777 178.082 177.300 0.009 0.000 1.151 658 P CA 1.215 64.297 63.100 -0.030 0.000 0.770 658 P CB 0.019 31.718 31.700 -0.001 0.000 0.786 659 A N -1.322 121.493 122.820 -0.009 0.000 2.348 659 A HA 0.511 4.822 4.320 -0.015 0.000 0.224 659 A C 1.131 178.826 177.584 0.185 0.000 1.227 659 A CA 0.049 52.139 52.037 0.089 0.000 0.885 659 A CB -0.477 18.600 19.000 0.129 0.000 0.933 659 A HN 0.188 nan 8.150 nan 0.000 0.506 660 A N 0.006 122.918 122.820 0.154 0.000 2.354 660 A HA 0.477 4.788 4.320 -0.015 0.000 0.269 660 A C 0.349 178.087 177.584 0.256 0.000 1.109 660 A CA -0.160 52.035 52.037 0.264 0.000 0.800 660 A CB 0.330 19.598 19.000 0.446 0.000 1.045 660 A HN 0.251 nan 8.150 nan 0.000 0.489 661 D N 0.398 120.948 120.400 0.249 0.000 2.369 661 D HA 0.100 4.731 4.640 -0.015 0.000 0.231 661 D C -0.034 176.496 176.300 0.384 0.000 0.967 661 D CA 0.888 55.095 54.000 0.345 0.000 0.905 661 D CB 0.124 41.037 40.800 0.188 0.000 1.044 661 D HN 0.387 nan 8.370 nan 0.000 0.487 662 L N 0.529 121.855 121.223 0.173 0.000 2.341 662 L HA 0.370 4.701 4.340 -0.015 0.000 0.278 662 L C -0.604 176.144 176.870 -0.203 0.000 1.005 662 L CA -0.493 54.369 54.840 0.038 0.000 0.818 662 L CB 2.046 44.096 42.059 -0.013 0.000 1.259 662 L HN -0.240 nan 8.230 nan 0.000 0.418 663 S N 4.364 119.841 115.700 -0.371 0.000 2.420 663 S HA 0.401 4.862 4.470 -0.015 0.000 0.313 663 S C -0.493 173.783 174.600 -0.540 0.000 1.079 663 S CA -0.695 56.996 58.200 -0.849 0.000 1.104 663 S CB 0.208 62.809 63.200 -0.999 0.000 0.969 663 S HN 0.647 nan 8.310 nan 0.000 0.471 664 E N 3.970 123.885 120.200 -0.475 0.000 2.217 664 E HA 0.144 4.485 4.350 -0.015 0.000 0.279 664 E C -0.294 176.176 176.600 -0.215 0.000 1.068 664 E CA -0.084 56.170 56.400 -0.244 0.000 0.882 664 E CB 0.697 30.289 29.700 -0.181 0.000 1.039 664 E HN 0.637 nan 8.360 nan 0.000 0.418 665 Q N 2.730 122.468 119.800 -0.102 0.000 2.805 665 Q HA 0.206 4.537 4.340 -0.015 0.000 0.360 665 Q C 0.640 176.641 176.000 0.001 0.000 0.832 665 Q CA -0.090 55.671 55.803 -0.070 0.000 1.020 665 Q CB 0.155 28.857 28.738 -0.060 0.000 1.444 665 Q HN 0.617 nan 8.270 nan 0.000 0.391 666 I N -1.412 119.158 120.570 0.000 0.000 3.837 666 I HA 0.228 4.389 4.170 -0.015 0.000 0.332 666 I C 0.287 176.374 176.117 -0.051 0.000 1.484 666 I CA -0.410 60.914 61.300 0.039 0.000 1.223 666 I CB -0.120 37.893 38.000 0.021 0.000 1.257 666 I HN -0.060 nan 8.210 nan 0.000 0.421 667 S N 0.428 116.091 115.700 -0.061 0.000 2.585 667 S HA 0.225 4.687 4.470 -0.015 0.000 0.273 667 S C 0.523 175.114 174.600 -0.016 0.000 1.339 667 S CA -0.395 57.784 58.200 -0.037 0.000 1.028 667 S CB 0.699 63.916 63.200 0.027 0.000 0.906 667 S HN 0.405 nan 8.310 nan 0.000 0.528 668 T N 2.692 117.274 114.554 0.046 0.000 2.867 668 T HA 0.373 4.714 4.350 -0.015 0.000 0.297 668 T C 0.733 175.450 174.700 0.028 0.000 0.989 668 T CA 0.247 62.378 62.100 0.052 0.000 1.159 668 T CB -0.046 68.934 68.868 0.187 0.000 0.928 668 T HN 0.979 nan 8.240 nan 0.000 0.538 669 A N 2.888 125.688 122.820 -0.034 0.000 2.566 669 A HA 0.452 4.763 4.320 -0.015 0.000 0.245 669 A C 1.660 179.237 177.584 -0.011 0.000 1.056 669 A CA 0.335 52.349 52.037 -0.039 0.000 0.757 669 A CB -0.839 18.122 19.000 -0.065 0.000 0.979 669 A HN 1.612 nan 8.150 nan 0.000 0.508 670 G N 1.379 110.174 108.800 -0.009 0.000 2.213 670 G HA2 -0.281 3.670 3.960 -0.015 0.000 0.236 670 G HA3 -0.281 3.670 3.960 -0.015 0.000 0.236 670 G C 1.064 175.959 174.900 -0.009 0.000 0.991 670 G CA 1.127 46.222 45.100 -0.008 0.000 0.629 670 G HN 1.924 nan 8.290 nan 0.000 0.517 671 T N -1.638 112.917 114.554 0.003 0.000 2.953 671 T HA 0.332 4.674 4.350 -0.015 0.000 0.247 671 T C 0.932 175.510 174.700 -0.203 0.000 1.029 671 T CA 1.261 63.306 62.100 -0.092 0.000 1.144 671 T CB 0.213 69.086 68.868 0.008 0.000 0.870 671 T HN 0.344 nan 8.240 nan 0.000 0.446 672 E N 1.615 121.821 120.200 0.010 0.000 2.104 672 E HA 0.575 4.916 4.350 -0.015 0.000 0.278 672 E C 1.140 177.718 176.600 -0.036 0.000 1.127 672 E CA 0.189 56.637 56.400 0.079 0.000 0.897 672 E CB 0.684 30.482 29.700 0.162 0.000 1.043 672 E HN 0.398 nan 8.360 nan 0.000 0.410 673 A N 3.491 126.224 122.820 -0.145 0.000 1.948 673 A HA -0.195 4.117 4.320 -0.015 0.000 0.220 673 A C 1.951 179.425 177.584 -0.182 0.000 1.177 673 A CA 2.145 53.985 52.037 -0.328 0.000 0.636 673 A CB -0.183 18.350 19.000 -0.780 0.000 0.815 673 A HN 0.638 nan 8.150 nan 0.000 0.449 674 S N -4.322 111.322 115.700 -0.093 0.000 4.257 674 S HA 0.425 4.887 4.470 -0.015 0.000 0.208 674 S C 0.706 175.298 174.600 -0.013 0.000 1.152 674 S CA 1.344 59.526 58.200 -0.029 0.000 1.110 674 S CB -0.401 62.793 63.200 -0.010 0.000 1.434 674 S HN 2.316 nan 8.310 nan 0.000 0.509 675 G N 0.330 109.127 108.800 -0.005 0.000 2.733 675 G HA2 -0.016 3.935 3.960 -0.015 0.000 0.686 675 G HA3 -0.016 3.935 3.960 -0.015 0.000 0.686 675 G C 0.244 175.128 174.900 -0.027 0.000 1.373 675 G CA 0.414 45.508 45.100 -0.009 0.000 0.838 675 G HN 1.478 nan 8.290 nan 0.000 0.588 676 T N -2.454 112.069 114.554 -0.051 0.000 3.074 676 T HA 0.380 4.721 4.350 -0.015 0.000 0.258 676 T C 2.248 176.846 174.700 -0.169 0.000 0.891 676 T CA 1.172 63.214 62.100 -0.097 0.000 0.867 676 T CB 0.379 69.187 68.868 -0.101 0.000 1.261 676 T HN 1.873 nan 8.240 nan 0.000 0.537 677 G N 3.055 111.783 108.800 -0.121 0.000 2.443 677 G HA2 -0.177 3.774 3.960 -0.015 0.000 0.219 677 G HA3 -0.177 3.774 3.960 -0.015 0.000 0.219 677 G C 1.511 176.450 174.900 0.066 0.000 1.131 677 G CA 1.092 46.130 45.100 -0.103 0.000 0.775 677 G HN 0.660 nan 8.290 nan 0.000 0.547 678 N N 1.233 119.950 118.700 0.029 0.000 2.120 678 N HA -0.140 4.591 4.740 -0.015 0.000 0.188 678 N C 2.019 177.529 175.510 -0.001 0.000 1.024 678 N CA 1.624 54.696 53.050 0.036 0.000 0.852 678 N CB -0.680 37.782 38.487 -0.041 0.000 1.003 678 N HN 0.388 nan 8.380 nan 0.000 0.424 679 M N 0.238 119.770 119.600 -0.114 0.000 2.175 679 M HA 0.002 4.473 4.480 -0.015 0.000 0.264 679 M C 1.990 178.235 176.300 -0.092 0.000 1.063 679 M CA 1.416 56.625 55.300 -0.151 0.000 1.119 679 M CB -0.263 32.256 32.600 -0.136 0.000 1.377 679 M HN 0.079 nan 8.290 nan 0.000 0.415 680 K N 0.194 120.475 120.400 -0.197 0.000 2.032 680 K HA -0.130 4.182 4.320 -0.015 0.000 0.209 680 K C 1.712 178.208 176.600 -0.173 0.000 1.048 680 K CA 1.517 57.625 56.287 -0.299 0.000 0.927 680 K CB -0.311 31.797 32.500 -0.653 0.000 0.712 680 K HN 0.126 nan 8.250 nan 0.000 0.441 681 F N 1.043 120.916 119.950 -0.128 0.000 2.134 681 F HA -0.186 4.331 4.527 -0.015 0.000 0.299 681 F C 2.570 178.338 175.800 -0.054 0.000 1.097 681 F CA 1.366 59.316 58.000 -0.083 0.000 1.264 681 F CB -0.309 38.631 39.000 -0.099 0.000 1.001 681 F HN 0.026 nan 8.300 nan 0.000 0.479 682 M N -0.470 119.212 119.600 0.137 0.000 2.086 682 M HA -0.209 4.263 4.480 -0.015 0.000 0.261 682 M C 2.197 178.543 176.300 0.077 0.000 1.067 682 M CA 1.614 56.965 55.300 0.084 0.000 1.116 682 M CB -0.322 32.319 32.600 0.068 0.000 1.348 682 M HN 0.252 nan 8.290 nan 0.000 0.407 683 L N 1.085 122.350 121.223 0.071 0.000 2.127 683 L HA -0.166 4.165 4.340 -0.015 0.000 0.211 683 L C 1.470 178.376 176.870 0.060 0.000 1.089 683 L CA 1.756 56.642 54.840 0.077 0.000 0.757 683 L CB -0.706 41.407 42.059 0.090 0.000 0.899 683 L HN 0.391 nan 8.230 nan 0.000 0.434 684 N N -0.231 118.495 118.700 0.044 0.000 2.268 684 N HA 0.147 4.878 4.740 -0.015 0.000 0.204 684 N C 0.771 176.307 175.510 0.044 0.000 1.124 684 N CA 0.807 53.878 53.050 0.035 0.000 0.838 684 N CB 0.423 38.910 38.487 -0.000 0.000 0.994 684 N HN 0.435 nan 8.380 nan 0.000 0.489 685 G N 0.563 109.392 108.800 0.048 0.000 2.203 685 G HA2 -0.137 3.814 3.960 -0.015 0.000 0.231 685 G HA3 -0.137 3.814 3.960 -0.015 0.000 0.231 685 G C -0.191 174.761 174.900 0.087 0.000 1.058 685 G CA 0.084 45.209 45.100 0.042 0.000 0.781 685 G HN 0.511 nan 8.290 nan 0.000 0.496 686 A N -0.347 122.534 122.820 0.102 0.000 2.380 686 A HA 0.912 5.224 4.320 -0.015 0.000 0.315 686 A C 0.047 177.627 177.584 -0.006 0.000 1.101 686 A CA -0.753 51.366 52.037 0.137 0.000 0.771 686 A CB 1.356 20.516 19.000 0.267 0.000 1.287 686 A HN 0.754 nan 8.150 nan 0.000 0.436 687 L N 0.987 122.167 121.223 -0.071 0.000 2.343 687 L HA 0.491 4.822 4.340 -0.015 0.000 0.275 687 L C 0.005 176.743 176.870 -0.220 0.000 1.056 687 L CA -0.490 54.215 54.840 -0.224 0.000 0.804 687 L CB 1.833 43.670 42.059 -0.370 0.000 1.203 687 L HN 0.719 nan 8.230 nan 0.000 0.440 688 T N 3.252 117.535 114.554 -0.451 0.000 2.767 688 T HA 0.458 4.800 4.350 -0.015 0.000 0.284 688 T C -0.312 174.178 174.700 -0.350 0.000 0.973 688 T CA -0.211 61.575 62.100 -0.523 0.000 0.996 688 T CB 1.503 69.851 68.868 -0.867 0.000 0.927 688 T HN 0.369 nan 8.240 nan 0.000 0.456 689 I N 2.984 123.473 120.570 -0.135 0.000 2.355 689 I HA 0.701 4.862 4.170 -0.015 0.000 0.288 689 I C 0.041 176.287 176.117 0.215 0.000 0.999 689 I CA 0.064 61.409 61.300 0.074 0.000 1.163 689 I CB 0.254 38.222 38.000 -0.053 0.000 1.316 689 I HN 0.794 nan 8.210 nan 0.000 0.454 690 G N 3.929 112.955 108.800 0.378 0.000 2.576 690 G HA2 0.420 4.371 3.960 -0.015 0.000 0.290 690 G HA3 0.420 4.371 3.960 -0.015 0.000 0.290 690 G C -0.779 174.109 174.900 -0.021 0.000 1.442 690 G CA -0.338 44.935 45.100 0.289 0.000 0.792 690 G HN 0.577 nan 8.290 nan 0.000 0.491 691 T N -1.383 112.993 114.554 -0.297 0.000 2.754 691 T HA 0.468 4.809 4.350 -0.015 0.000 0.286 691 T C 0.773 175.376 174.700 -0.162 0.000 0.997 691 T CA -0.474 61.365 62.100 -0.434 0.000 0.982 691 T CB 0.783 69.412 68.868 -0.400 0.000 1.027 691 T HN 0.260 nan 8.240 nan 0.000 0.529 692 M N 2.585 122.096 119.600 -0.148 0.000 3.396 692 M HA 0.345 4.816 4.480 -0.015 0.000 0.255 692 M C -0.567 175.692 176.300 -0.068 0.000 1.398 692 M CA -0.173 55.077 55.300 -0.082 0.000 1.554 692 M CB -1.436 31.119 32.600 -0.075 0.000 1.070 692 M HN 0.724 nan 8.290 nan 0.000 0.587 693 D N -0.129 120.239 120.400 -0.052 0.000 2.732 693 D HA 0.673 5.304 4.640 -0.015 0.000 0.229 693 D C 0.705 176.995 176.300 -0.017 0.000 1.152 693 D CA 0.801 54.782 54.000 -0.032 0.000 0.854 693 D CB 1.771 42.553 40.800 -0.030 0.000 1.590 693 D HN 0.603 nan 8.370 nan 0.000 0.468 694 G N 1.980 110.777 108.800 -0.004 0.000 2.622 694 G HA2 -0.264 3.687 3.960 -0.015 0.000 0.307 694 G HA3 -0.264 3.687 3.960 -0.015 0.000 0.307 694 G C 1.013 175.915 174.900 0.004 0.000 1.226 694 G CA 1.227 46.328 45.100 0.002 0.000 0.997 694 G HN 1.099 nan 8.290 nan 0.000 0.551 695 A N -0.228 122.588 122.820 -0.007 0.000 2.169 695 A HA 0.187 4.498 4.320 -0.015 0.000 0.212 695 A C 2.067 179.600 177.584 -0.084 0.000 1.153 695 A CA 1.668 53.699 52.037 -0.012 0.000 0.756 695 A CB -0.374 18.605 19.000 -0.037 0.000 0.813 695 A HN 0.612 nan 8.150 nan 0.000 0.471 696 N N 0.734 119.398 118.700 -0.060 0.000 2.094 696 N HA -0.165 4.566 4.740 -0.015 0.000 0.191 696 N C 1.618 177.037 175.510 -0.152 0.000 1.023 696 N CA 1.666 54.695 53.050 -0.035 0.000 0.857 696 N CB -0.679 37.837 38.487 0.049 0.000 1.013 696 N HN 0.277 nan 8.380 nan 0.000 0.426 697 V N 1.320 121.174 119.914 -0.100 0.000 2.255 697 V HA -0.228 3.883 4.120 -0.015 0.000 0.247 697 V C 2.008 178.032 176.094 -0.118 0.000 1.051 697 V CA 1.765 63.997 62.300 -0.113 0.000 1.018 697 V CB -0.537 31.251 31.823 -0.058 0.000 0.641 697 V HN 0.354 nan 8.190 nan 0.000 0.445 698 E N -0.699 119.490 120.200 -0.018 0.000 2.204 698 E HA -0.155 4.187 4.350 -0.015 0.000 0.194 698 E C 2.199 178.901 176.600 0.169 0.000 0.989 698 E CA 1.083 57.542 56.400 0.099 0.000 0.824 698 E CB -0.176 29.672 29.700 0.247 0.000 0.756 698 E HN 0.551 nan 8.360 nan 0.000 0.477 699 M N 0.279 119.858 119.600 -0.035 0.000 2.099 699 M HA -0.124 4.347 4.480 -0.015 0.000 0.262 699 M C 2.492 178.511 176.300 -0.468 0.000 1.067 699 M CA 1.461 56.644 55.300 -0.194 0.000 1.124 699 M CB -0.159 32.222 32.600 -0.365 0.000 1.353 699 M HN 0.142 nan 8.290 nan 0.000 0.410 700 A N -0.037 122.233 122.820 -0.917 0.000 1.933 700 A HA -0.221 4.091 4.320 -0.015 0.000 0.218 700 A C 1.961 179.305 177.584 -0.399 0.000 1.175 700 A CA 1.981 53.390 52.037 -1.046 0.000 0.628 700 A CB -0.809 17.654 19.000 -0.894 0.000 0.814 700 A HN 0.594 nan 8.150 nan 0.000 0.444 701 E N -0.286 119.772 120.200 -0.236 0.000 2.077 701 E HA -0.223 4.119 4.350 -0.015 0.000 0.193 701 E C 1.789 178.345 176.600 -0.073 0.000 0.989 701 E CA 1.316 57.645 56.400 -0.118 0.000 0.800 701 E CB -0.107 29.550 29.700 -0.070 0.000 0.746 701 E HN 0.561 nan 8.360 nan 0.000 0.452 702 E N 0.147 120.331 120.200 -0.028 0.000 2.077 702 E HA -0.162 4.179 4.350 -0.015 0.000 0.193 702 E C 1.894 178.501 176.600 0.011 0.000 0.989 702 E CA 1.211 57.621 56.400 0.016 0.000 0.800 702 E CB -0.193 29.576 29.700 0.115 0.000 0.746 702 E HN 0.397 nan 8.360 nan 0.000 0.452 703 A N 0.317 123.137 122.820 -0.001 0.000 1.984 703 A HA 0.338 4.649 4.320 -0.015 0.000 0.214 703 A C 1.094 178.673 177.584 -0.009 0.000 1.173 703 A CA 1.179 53.232 52.037 0.026 0.000 0.673 703 A CB 0.108 19.168 19.000 0.100 0.000 0.830 703 A HN 0.270 nan 8.150 nan 0.000 0.453 704 G N -0.523 108.242 108.800 -0.058 0.000 3.226 704 G HA2 -0.039 3.912 3.960 -0.015 0.000 0.685 704 G HA3 -0.039 3.912 3.960 -0.015 0.000 0.685 704 G C -0.090 174.775 174.900 -0.059 0.000 1.207 704 G CA -0.000 45.065 45.100 -0.058 0.000 0.877 704 G HN 0.213 nan 8.290 nan 0.000 0.585 705 E N 0.634 120.788 120.200 -0.076 0.000 2.219 705 E HA -0.218 4.123 4.350 -0.015 0.000 0.198 705 E C 2.281 178.860 176.600 -0.035 0.000 0.998 705 E CA 1.398 57.771 56.400 -0.045 0.000 0.818 705 E CB 0.122 29.794 29.700 -0.046 0.000 0.741 705 E HN 0.794 nan 8.360 nan 0.000 0.477 706 E N 0.928 121.094 120.200 -0.057 0.000 2.268 706 E HA -0.152 4.189 4.350 -0.015 0.000 0.195 706 E C 1.023 177.534 176.600 -0.149 0.000 0.995 706 E CA 0.774 57.119 56.400 -0.092 0.000 0.836 706 E CB -0.126 29.535 29.700 -0.064 0.000 0.763 706 E HN 0.210 nan 8.360 nan 0.000 0.491 707 N N -0.446 118.198 118.700 -0.094 0.000 2.280 707 N HA 0.133 4.864 4.740 -0.015 0.000 0.192 707 N C -0.607 174.848 175.510 -0.091 0.000 1.109 707 N CA 0.076 53.060 53.050 -0.109 0.000 0.855 707 N CB 0.209 38.682 38.487 -0.023 0.000 0.974 707 N HN 0.048 nan 8.380 nan 0.000 0.482 708 F N -0.693 119.052 119.950 -0.342 0.000 2.631 708 F HA 0.455 4.973 4.527 -0.016 0.000 0.350 708 F C -0.512 175.001 175.800 -0.478 0.000 1.080 708 F CA -1.233 56.591 58.000 -0.293 0.000 1.026 708 F CB 1.064 39.987 39.000 -0.128 0.000 1.347 708 F HN -0.270 nan 8.300 nan 0.000 0.501 709 F N 3.164 123.114 119.950 0.001 0.000 2.584 709 F HA 0.361 4.880 4.527 -0.014 0.000 0.328 709 F C -0.501 175.423 175.800 0.207 0.000 1.407 709 F CA -0.642 57.389 58.000 0.052 0.000 1.145 709 F CB 0.026 38.992 39.000 -0.058 0.000 1.440 709 F HN -0.058 nan 8.300 nan 0.000 0.580 710 I N 2.310 123.107 120.570 0.379 0.000 2.638 710 I HA 0.272 4.433 4.170 -0.015 0.000 0.286 710 I C 0.076 176.397 176.117 0.340 0.000 1.088 710 I CA -0.168 61.319 61.300 0.311 0.000 1.397 710 I CB 0.367 38.472 38.000 0.176 0.000 1.414 710 I HN 0.317 nan 8.210 nan 0.000 0.566 711 F N 1.790 121.812 119.950 0.121 0.000 2.779 711 F HA 0.762 5.280 4.527 -0.015 0.000 0.316 711 F C 0.048 175.896 175.800 0.080 0.000 1.164 711 F CA -0.331 57.730 58.000 0.102 0.000 0.924 711 F CB 0.754 39.828 39.000 0.123 0.000 1.348 711 F HN 0.814 nan 8.300 nan 0.000 0.467 712 G N 1.064 109.946 108.800 0.137 0.000 2.752 712 G HA2 -0.149 3.802 3.960 -0.015 0.000 0.234 712 G HA3 -0.149 3.802 3.960 -0.015 0.000 0.234 712 G C -0.522 174.342 174.900 -0.059 0.000 1.367 712 G CA -0.364 44.743 45.100 0.013 0.000 0.879 712 G HN 0.988 nan 8.290 nan 0.000 0.563 713 M N -0.295 119.282 119.600 -0.038 0.000 2.252 713 M HA 0.375 4.846 4.480 -0.015 0.000 0.321 713 M C 0.955 177.214 176.300 -0.068 0.000 1.070 713 M CA 0.403 55.686 55.300 -0.029 0.000 1.143 713 M CB 0.328 32.919 32.600 -0.014 0.000 1.498 713 M HN 0.562 nan 8.290 nan 0.000 0.445 714 R N 0.368 120.844 120.500 -0.040 0.000 2.782 714 R HA 0.380 4.711 4.340 -0.015 0.000 0.258 714 R C 0.917 177.195 176.300 -0.037 0.000 1.055 714 R CA -0.539 55.533 56.100 -0.046 0.000 1.065 714 R CB 0.819 31.100 30.300 -0.031 0.000 1.172 714 R HN 0.556 nan 8.270 nan 0.000 0.510 715 V N 1.223 121.114 119.914 -0.038 0.000 2.278 715 V HA -0.271 3.840 4.120 -0.015 0.000 0.251 715 V C 2.027 178.105 176.094 -0.025 0.000 1.062 715 V CA 1.950 64.231 62.300 -0.033 0.000 1.038 715 V CB -0.369 31.433 31.823 -0.035 0.000 0.646 715 V HN 0.671 nan 8.190 nan 0.000 0.447 716 E N -0.272 119.916 120.200 -0.020 0.000 2.204 716 E HA -0.204 4.137 4.350 -0.015 0.000 0.195 716 E C 1.952 178.551 176.600 -0.001 0.000 0.990 716 E CA 1.082 57.475 56.400 -0.012 0.000 0.821 716 E CB -0.235 29.459 29.700 -0.009 0.000 0.750 716 E HN 0.642 nan 8.360 nan 0.000 0.477 717 D N -0.213 120.188 120.400 0.002 0.000 2.149 717 D HA -0.099 4.532 4.640 -0.015 0.000 0.201 717 D C 2.052 178.363 176.300 0.018 0.000 0.972 717 D CA 0.530 54.541 54.000 0.019 0.000 0.835 717 D CB 0.074 40.888 40.800 0.023 0.000 0.966 717 D HN 0.067 nan 8.370 nan 0.000 0.476 718 V N 1.739 121.650 119.914 -0.006 0.000 2.358 718 V HA -0.195 3.916 4.120 -0.015 0.000 0.246 718 V C 1.848 177.934 176.094 -0.013 0.000 1.047 718 V CA 1.622 63.909 62.300 -0.022 0.000 1.035 718 V CB -0.338 31.458 31.823 -0.044 0.000 0.658 718 V HN 0.036 nan 8.190 nan 0.000 0.452 719 D N -0.348 120.045 120.400 -0.011 0.000 2.178 719 D HA -0.126 4.505 4.640 -0.015 0.000 0.201 719 D C 2.380 178.686 176.300 0.010 0.000 0.980 719 D CA 1.011 55.007 54.000 -0.008 0.000 0.842 719 D CB -0.193 40.599 40.800 -0.013 0.000 0.948 719 D HN 0.333 nan 8.370 nan 0.000 0.472 720 R N -0.029 120.483 120.500 0.020 0.000 2.073 720 R HA 0.060 4.391 4.340 -0.015 0.000 0.229 720 R C 2.470 178.802 176.300 0.053 0.000 1.120 720 R CA 0.336 56.455 56.100 0.033 0.000 0.967 720 R CB -0.266 30.056 30.300 0.037 0.000 0.862 720 R HN 0.159 nan 8.270 nan 0.000 0.436 721 L N 0.764 122.028 121.223 0.069 0.000 2.042 721 L HA -0.247 4.085 4.340 -0.015 0.000 0.210 721 L C 1.558 178.489 176.870 0.101 0.000 1.076 721 L CA 1.398 56.306 54.840 0.114 0.000 0.749 721 L CB -0.308 41.833 42.059 0.137 0.000 0.893 721 L HN 0.266 nan 8.230 nan 0.000 0.432 722 D N -0.754 119.678 120.400 0.053 0.000 2.144 722 D HA -0.197 4.434 4.640 -0.015 0.000 0.200 722 D C 2.203 178.527 176.300 0.040 0.000 0.978 722 D CA 0.991 55.014 54.000 0.039 0.000 0.833 722 D CB -0.027 40.773 40.800 0.000 0.000 0.961 722 D HN 0.441 nan 8.370 nan 0.000 0.470 723 Q N 0.093 119.914 119.800 0.034 0.000 2.084 723 Q HA -0.145 4.187 4.340 -0.015 0.000 0.202 723 Q C 2.217 178.239 176.000 0.037 0.000 0.978 723 Q CA 1.227 57.047 55.803 0.029 0.000 0.844 723 Q CB 0.035 28.787 28.738 0.024 0.000 0.898 723 Q HN 0.372 nan 8.270 nan 0.000 0.426 724 R N -0.784 119.746 120.500 0.050 0.000 2.223 724 R HA 0.222 4.553 4.340 -0.015 0.000 0.198 724 R C 0.238 176.573 176.300 0.058 0.000 0.984 724 R CA 0.767 56.897 56.100 0.049 0.000 1.018 724 R CB 0.409 30.740 30.300 0.052 0.000 0.945 724 R HN 0.086 nan 8.270 nan 0.000 0.479 725 G N 1.169 110.017 108.800 0.080 0.000 3.367 725 G HA2 -0.221 3.730 3.960 -0.015 0.000 0.686 725 G HA3 -0.221 3.730 3.960 -0.015 0.000 0.686 725 G C -1.467 173.518 174.900 0.142 0.000 1.146 725 G CA -0.536 44.620 45.100 0.092 0.000 0.913 725 G HN 0.303 nan 8.290 nan 0.000 0.554 726 Y N 3.169 123.494 120.300 0.041 0.000 2.402 726 Y HA 0.623 5.164 4.550 -0.015 0.000 0.333 726 Y C 0.188 176.136 175.900 0.080 0.000 1.076 726 Y CA -0.987 57.156 58.100 0.071 0.000 1.299 726 Y CB 1.318 39.791 38.460 0.020 0.000 1.197 726 Y HN 0.588 nan 8.280 nan 0.000 0.517 727 N N 4.884 123.311 118.700 -0.455 0.000 2.682 727 N HA 0.292 5.023 4.740 -0.015 0.000 0.252 727 N C 0.268 175.541 175.510 -0.396 0.000 1.081 727 N CA 0.319 53.148 53.050 -0.369 0.000 0.844 727 N CB 1.057 39.468 38.487 -0.125 0.000 1.167 727 N HN 0.836 nan 8.380 nan 0.000 0.523 728 A N 2.354 124.814 122.820 -0.600 0.000 1.986 728 A HA -0.236 4.075 4.320 -0.015 0.000 0.220 728 A C 1.854 179.592 177.584 0.256 0.000 1.171 728 A CA 1.703 53.674 52.037 -0.111 0.000 0.640 728 A CB -0.348 18.512 19.000 -0.233 0.000 0.811 728 A HN 0.677 nan 8.150 nan 0.000 0.451 729 Q N -0.002 119.823 119.800 0.042 0.000 2.181 729 Q HA -0.194 4.138 4.340 -0.015 0.000 0.205 729 Q C 1.886 177.966 176.000 0.133 0.000 0.980 729 Q CA 2.123 57.975 55.803 0.081 0.000 0.862 729 Q CB -0.315 28.424 28.738 0.001 0.000 0.905 729 Q HN 0.784 nan 8.270 nan 0.000 0.429 730 E N -1.348 118.878 120.200 0.043 0.000 2.051 730 E HA -0.210 4.131 4.350 -0.015 0.000 0.192 730 E C 1.538 178.065 176.600 -0.121 0.000 0.991 730 E CA 1.284 57.629 56.400 -0.093 0.000 0.799 730 E CB -0.178 29.365 29.700 -0.261 0.000 0.748 730 E HN 0.547 nan 8.360 nan 0.000 0.449 731 Y N -1.017 119.335 120.300 0.086 0.000 2.224 731 Y HA -0.229 4.312 4.550 -0.015 0.000 0.289 731 Y C 2.175 178.053 175.900 -0.037 0.000 1.146 731 Y CA 1.565 59.705 58.100 0.066 0.000 1.182 731 Y CB -0.577 37.982 38.460 0.165 0.000 0.983 731 Y HN 0.267 nan 8.280 nan 0.000 0.524 732 Y N 0.943 121.237 120.300 -0.010 0.000 2.242 732 Y HA -0.199 4.342 4.550 -0.015 0.000 0.291 732 Y C 1.808 177.661 175.900 -0.079 0.000 1.137 732 Y CA 1.597 59.615 58.100 -0.137 0.000 1.181 732 Y CB -0.245 38.191 38.460 -0.040 0.000 0.989 732 Y HN 0.039 nan 8.280 nan 0.000 0.527 733 D N -0.197 120.248 120.400 0.074 0.000 2.224 733 D HA -0.064 4.567 4.640 -0.015 0.000 0.205 733 D C 1.823 178.070 176.300 -0.089 0.000 0.965 733 D CA 1.076 55.065 54.000 -0.019 0.000 0.852 733 D CB -0.042 40.786 40.800 0.048 0.000 0.947 733 D HN 0.464 nan 8.370 nan 0.000 0.494 734 R N -0.334 120.118 120.500 -0.081 0.000 2.290 734 R HA 0.275 4.607 4.340 -0.015 0.000 0.197 734 R C 0.332 176.595 176.300 -0.061 0.000 0.913 734 R CA 0.145 56.201 56.100 -0.074 0.000 1.040 734 R CB 0.955 31.207 30.300 -0.080 0.000 0.992 734 R HN 0.090 nan 8.270 nan 0.000 0.500 735 I N 1.801 122.322 120.570 -0.081 0.000 2.405 735 I HA 0.225 4.386 4.170 -0.015 0.000 0.280 735 I C -1.984 174.052 176.117 -0.135 0.000 1.027 735 I CA -2.368 58.903 61.300 -0.049 0.000 1.161 735 I CB 2.094 40.123 38.000 0.048 0.000 1.300 735 I HN -0.257 nan 8.210 nan 0.000 0.463 736 P HA -0.118 nan 4.420 nan 0.000 0.220 736 P C 1.153 178.386 177.300 -0.112 0.000 1.148 736 P CA 1.174 64.191 63.100 -0.138 0.000 0.803 736 P CB 0.336 31.980 31.700 -0.093 0.000 0.782 737 E N -0.883 119.296 120.200 -0.035 0.000 2.107 737 E HA -0.116 4.225 4.350 -0.015 0.000 0.191 737 E C 1.818 178.392 176.600 -0.043 0.000 0.982 737 E CA 0.588 56.997 56.400 0.014 0.000 0.809 737 E CB -0.531 29.243 29.700 0.123 0.000 0.756 737 E HN 0.123 nan 8.360 nan 0.000 0.459 738 L N 1.446 122.580 121.223 -0.148 0.000 1.994 738 L HA -0.148 4.184 4.340 -0.015 0.000 0.208 738 L C 2.358 179.030 176.870 -0.330 0.000 1.071 738 L CA 1.765 56.322 54.840 -0.472 0.000 0.745 738 L CB -0.430 41.227 42.059 -0.669 0.000 0.892 738 L HN -0.106 nan 8.230 nan 0.000 0.431 739 R N -0.914 119.368 120.500 -0.365 0.000 2.117 739 R HA -0.237 4.094 4.340 -0.015 0.000 0.243 739 R C 2.447 178.644 176.300 -0.172 0.000 1.143 739 R CA 1.927 57.758 56.100 -0.448 0.000 0.968 739 R CB -0.297 29.581 30.300 -0.703 0.000 0.863 739 R HN 0.646 nan 8.270 nan 0.000 0.444 740 Q N 0.210 119.927 119.800 -0.137 0.000 2.119 740 Q HA -0.151 4.180 4.340 -0.015 0.000 0.201 740 Q C 1.989 177.974 176.000 -0.025 0.000 0.972 740 Q CA 1.447 57.203 55.803 -0.079 0.000 0.847 740 Q CB 0.019 28.709 28.738 -0.081 0.000 0.903 740 Q HN 0.423 nan 8.270 nan 0.000 0.433 741 I N 0.692 121.257 120.570 -0.008 0.000 2.133 741 I HA -0.294 3.868 4.170 -0.015 0.000 0.238 741 I C 2.148 178.337 176.117 0.120 0.000 1.074 741 I CA 0.657 62.001 61.300 0.072 0.000 1.342 741 I CB -0.310 37.706 38.000 0.028 0.000 1.053 741 I HN 0.254 nan 8.210 nan 0.000 0.404 742 I N 0.693 121.327 120.570 0.106 0.000 2.236 742 I HA -0.299 3.862 4.170 -0.015 0.000 0.249 742 I C 2.463 178.698 176.117 0.197 0.000 1.102 742 I CA 1.667 63.082 61.300 0.191 0.000 1.365 742 I CB -1.340 36.842 38.000 0.304 0.000 1.051 742 I HN 0.303 nan 8.210 nan 0.000 0.420 743 E N 0.483 120.783 120.200 0.166 0.000 2.208 743 E HA -0.150 4.191 4.350 -0.015 0.000 0.193 743 E C 2.189 178.859 176.600 0.117 0.000 0.988 743 E CA 0.821 57.302 56.400 0.136 0.000 0.828 743 E CB -0.044 29.710 29.700 0.089 0.000 0.763 743 E HN 0.471 nan 8.360 nan 0.000 0.478 744 Q N -0.517 119.351 119.800 0.113 0.000 2.083 744 Q HA -0.043 4.288 4.340 -0.015 0.000 0.198 744 Q C 2.144 178.329 176.000 0.308 0.000 0.969 744 Q CA 1.043 56.923 55.803 0.129 0.000 0.838 744 Q CB 0.014 28.809 28.738 0.095 0.000 0.900 744 Q HN 0.306 nan 8.270 nan 0.000 0.436 745 L N -0.205 121.223 121.223 0.341 0.000 2.005 745 L HA -0.170 4.161 4.340 -0.015 0.000 0.207 745 L C 2.361 179.424 176.870 0.321 0.000 1.072 745 L CA 1.079 56.142 54.840 0.372 0.000 0.744 745 L CB -0.416 41.789 42.059 0.243 0.000 0.895 745 L HN 0.132 nan 8.230 nan 0.000 0.433 746 S N -0.283 115.558 115.700 0.235 0.000 2.423 746 S HA -0.121 4.340 4.470 -0.015 0.000 0.231 746 S C 2.034 176.732 174.600 0.162 0.000 1.014 746 S CA 1.359 59.673 58.200 0.189 0.000 0.965 746 S CB -0.170 63.121 63.200 0.153 0.000 0.785 746 S HN 0.595 nan 8.310 nan 0.000 0.495 747 S N 0.165 115.963 115.700 0.163 0.000 2.528 747 S HA 0.397 4.859 4.470 -0.015 0.000 0.219 747 S C 1.459 176.141 174.600 0.137 0.000 0.985 747 S CA 0.554 58.833 58.200 0.131 0.000 0.914 747 S CB 0.157 63.423 63.200 0.110 0.000 0.776 747 S HN 0.725 nan 8.310 nan 0.000 0.526 748 G N 0.682 109.590 108.800 0.181 0.000 2.148 748 G HA2 -0.273 3.678 3.960 -0.015 0.000 0.203 748 G HA3 -0.273 3.678 3.960 -0.015 0.000 0.203 748 G C 0.246 175.222 174.900 0.128 0.000 0.993 748 G CA 0.093 45.284 45.100 0.151 0.000 0.661 748 G HN 0.468 nan 8.290 nan 0.000 0.518 749 F N 0.691 120.630 119.950 -0.019 0.000 2.161 749 F HA 0.200 4.718 4.527 -0.015 0.000 0.300 749 F C 1.722 177.342 175.800 -0.301 0.000 1.089 749 F CA 1.717 59.592 58.000 -0.207 0.000 1.282 749 F CB -0.096 38.689 39.000 -0.358 0.000 1.010 749 F HN 0.141 nan 8.300 nan 0.000 0.485 750 F N -0.077 119.903 119.950 0.050 0.000 2.660 750 F HA 0.223 4.742 4.527 -0.015 0.000 0.302 750 F C 0.583 176.463 175.800 0.133 0.000 1.103 750 F CA 0.211 58.203 58.000 -0.014 0.000 1.340 750 F CB -0.310 38.726 39.000 0.060 0.000 1.048 750 F HN 0.010 nan 8.300 nan 0.000 0.551 751 S N -2.207 113.598 115.700 0.174 0.000 2.708 751 S HA 0.285 4.746 4.470 -0.015 0.000 0.141 751 S C -2.435 172.164 174.600 -0.001 0.000 1.349 751 S CA -0.975 57.263 58.200 0.063 0.000 1.206 751 S CB 0.756 63.925 63.200 -0.051 0.000 1.603 751 S HN -0.182 nan 8.310 nan 0.000 0.415 752 P HA -0.179 nan 4.420 nan 0.000 0.214 752 P C 0.883 178.172 177.300 -0.018 0.000 1.169 752 P CA 1.693 64.771 63.100 -0.037 0.000 0.908 752 P CB -0.028 31.634 31.700 -0.063 0.000 0.791 753 K N -1.048 119.339 120.400 -0.022 0.000 2.525 753 K HA -0.001 4.311 4.320 -0.015 0.000 0.192 753 K C 0.895 177.486 176.600 -0.014 0.000 1.029 753 K CA 0.584 56.862 56.287 -0.014 0.000 1.029 753 K CB -0.052 32.441 32.500 -0.012 0.000 0.814 753 K HN 0.277 nan 8.250 nan 0.000 0.503 754 Q N -0.495 119.290 119.800 -0.024 0.000 3.449 754 Q HA 0.108 4.439 4.340 -0.015 0.000 0.272 754 Q C -2.358 173.620 176.000 -0.036 0.000 0.787 754 Q CA -1.235 54.547 55.803 -0.035 0.000 0.904 754 Q CB 1.248 29.951 28.738 -0.059 0.000 1.536 754 Q HN -0.053 nan 8.270 nan 0.000 0.387 755 P HA -0.251 nan 4.420 nan 0.000 0.220 755 P C 0.831 178.155 177.300 0.040 0.000 1.155 755 P CA 1.789 64.908 63.100 0.032 0.000 0.880 755 P CB 0.174 31.897 31.700 0.038 0.000 0.790 756 D N -1.393 119.018 120.400 0.018 0.000 2.340 756 D HA -0.051 4.580 4.640 -0.015 0.000 0.220 756 D C 1.690 177.989 176.300 -0.002 0.000 1.039 756 D CA -0.057 53.962 54.000 0.032 0.000 0.866 756 D CB -0.901 39.920 40.800 0.034 0.000 0.913 756 D HN -0.000 nan 8.370 nan 0.000 0.523 757 L N 0.285 121.443 121.223 -0.108 0.000 2.010 757 L HA -0.182 4.149 4.340 -0.015 0.000 0.219 757 L C 1.144 177.840 176.870 -0.291 0.000 1.077 757 L CA 1.807 56.474 54.840 -0.289 0.000 0.773 757 L CB -0.919 40.769 42.059 -0.619 0.000 0.892 757 L HN -0.016 nan 8.230 nan 0.000 0.436 758 F N -0.614 119.389 119.950 0.088 0.000 2.660 758 F HA 0.216 4.734 4.527 -0.014 0.000 0.297 758 F C 1.877 177.730 175.800 0.088 0.000 1.132 758 F CA -0.231 57.813 58.000 0.073 0.000 1.372 758 F CB -0.784 38.248 39.000 0.055 0.000 1.003 758 F HN -0.007 nan 8.300 nan 0.000 0.524 759 K N 0.304 120.830 120.400 0.210 0.000 2.360 759 K HA -0.163 4.148 4.320 -0.015 0.000 0.201 759 K C 0.856 177.562 176.600 0.176 0.000 1.046 759 K CA 1.166 57.557 56.287 0.174 0.000 0.940 759 K CB -0.030 32.545 32.500 0.125 0.000 0.748 759 K HN 0.261 nan 8.250 nan 0.000 0.465 760 D N 0.440 120.957 120.400 0.195 0.000 2.183 760 D HA 0.001 4.632 4.640 -0.015 0.000 0.205 760 D C 1.811 178.215 176.300 0.174 0.000 0.962 760 D CA 0.594 54.713 54.000 0.197 0.000 0.849 760 D CB 0.059 41.022 40.800 0.271 0.000 0.978 760 D HN 0.133 nan 8.370 nan 0.000 0.488 761 I N 0.271 120.942 120.570 0.169 0.000 2.202 761 I HA -0.208 3.954 4.170 -0.015 0.000 0.242 761 I C 2.290 178.469 176.117 0.104 0.000 1.091 761 I CA 0.603 61.969 61.300 0.111 0.000 1.368 761 I CB -0.265 37.785 38.000 0.082 0.000 1.058 761 I HN -0.111 nan 8.210 nan 0.000 0.410 762 V N 1.277 121.273 119.914 0.136 0.000 2.287 762 V HA -0.346 3.765 4.120 -0.015 0.000 0.248 762 V C 2.333 178.485 176.094 0.097 0.000 1.053 762 V CA 2.366 64.737 62.300 0.118 0.000 1.027 762 V CB -1.017 30.892 31.823 0.143 0.000 0.646 762 V HN 0.553 nan 8.190 nan 0.000 0.447 763 N N -0.329 118.466 118.700 0.158 0.000 2.104 763 N HA -0.233 4.499 4.740 -0.015 0.000 0.190 763 N C 1.994 177.661 175.510 0.262 0.000 1.024 763 N CA 1.933 55.132 53.050 0.248 0.000 0.853 763 N CB -0.132 38.512 38.487 0.261 0.000 1.008 763 N HN 0.396 nan 8.380 nan 0.000 0.424 764 M N 1.285 121.012 119.600 0.213 0.000 2.086 764 M HA -0.131 4.340 4.480 -0.015 0.000 0.261 764 M C 2.081 178.407 176.300 0.043 0.000 1.067 764 M CA 1.112 56.538 55.300 0.210 0.000 1.116 764 M CB -0.688 32.007 32.600 0.157 0.000 1.348 764 M HN 0.202 nan 8.290 nan 0.000 0.407 765 L N -0.023 121.160 121.223 -0.068 0.000 2.012 765 L HA -0.289 4.042 4.340 -0.015 0.000 0.210 765 L C 2.643 179.234 176.870 -0.464 0.000 1.073 765 L CA 1.237 55.889 54.840 -0.312 0.000 0.748 765 L CB -0.682 41.188 42.059 -0.316 0.000 0.891 765 L HN 0.346 nan 8.230 nan 0.000 0.431 766 M N -1.339 118.044 119.600 -0.363 0.000 2.200 766 M HA -0.118 4.353 4.480 -0.015 0.000 0.265 766 M C 1.852 177.695 176.300 -0.761 0.000 1.066 766 M CA 1.714 56.675 55.300 -0.566 0.000 1.127 766 M CB -0.832 31.329 32.600 -0.731 0.000 1.379 766 M HN 0.378 nan 8.290 nan 0.000 0.420 767 H N -2.828 116.103 119.070 -0.231 0.000 3.255 767 H HA 0.221 4.769 4.556 -0.015 0.000 0.256 767 H C 0.190 175.068 175.328 -0.752 0.000 1.049 767 H CA 0.372 56.119 56.048 -0.501 0.000 1.202 767 H CB 0.359 29.723 29.762 -0.663 0.000 1.497 767 H HN 0.523 nan 8.280 nan 0.000 0.503 768 H N 0.141 119.273 119.070 0.103 0.000 2.651 768 H HA 0.138 4.686 4.556 -0.015 0.000 0.241 768 H C -0.567 174.788 175.328 0.045 0.000 1.225 768 H CA -0.355 55.740 56.048 0.079 0.000 0.942 768 H CB 0.802 30.615 29.762 0.085 0.000 1.996 768 H HN -0.005 nan 8.280 nan 0.000 0.600 769 D N 1.481 121.929 120.400 0.081 0.000 2.374 769 D HA 0.061 4.692 4.640 -0.015 0.000 0.240 769 D C 0.860 177.101 176.300 -0.099 0.000 1.229 769 D CA -0.123 53.892 54.000 0.026 0.000 0.895 769 D CB 0.630 41.420 40.800 -0.017 0.000 1.046 769 D HN 0.426 nan 8.370 nan 0.000 0.498 770 R N 2.526 122.890 120.500 -0.226 0.000 2.307 770 R HA 0.033 4.364 4.340 -0.015 0.000 0.199 770 R C 0.535 176.259 176.300 -0.960 0.000 1.000 770 R CA 0.535 56.285 56.100 -0.582 0.000 1.023 770 R CB 0.218 30.056 30.300 -0.770 0.000 0.908 770 R HN 0.344 nan 8.270 nan 0.000 0.473 771 F N 0.898 120.777 119.950 -0.118 0.000 2.698 771 F HA 0.277 4.795 4.527 -0.015 0.000 0.304 771 F C -0.105 175.539 175.800 -0.260 0.000 1.108 771 F CA -0.949 56.968 58.000 -0.138 0.000 1.263 771 F CB 0.215 39.196 39.000 -0.033 0.000 1.013 771 F HN -0.248 nan 8.300 nan 0.000 0.532 772 K N -0.107 120.025 120.400 -0.446 0.000 3.777 772 K HA -0.188 4.123 4.320 -0.015 0.000 0.276 772 K C 1.025 177.460 176.600 -0.274 0.000 0.877 772 K CA 0.109 55.941 56.287 -0.759 0.000 0.724 772 K CB -1.548 30.393 32.500 -0.932 0.000 1.589 772 K HN 0.223 nan 8.250 nan 0.000 0.444 773 V N 0.350 120.190 119.914 -0.123 0.000 2.343 773 V HA -0.263 3.848 4.120 -0.015 0.000 0.247 773 V C 1.991 178.204 176.094 0.199 0.000 1.051 773 V CA 1.910 64.225 62.300 0.024 0.000 1.036 773 V CB -0.450 31.383 31.823 0.016 0.000 0.654 773 V HN 0.467 nan 8.190 nan 0.000 0.451 774 F N 0.915 120.875 119.950 0.016 0.000 2.102 774 F HA -0.130 4.388 4.527 -0.015 0.000 0.298 774 F C 2.523 178.199 175.800 -0.208 0.000 1.105 774 F CA 1.055 59.040 58.000 -0.025 0.000 1.239 774 F CB -1.594 37.399 39.000 -0.011 0.000 0.991 774 F HN 0.170 nan 8.300 nan 0.000 0.474 775 A N -0.761 121.894 122.820 -0.274 0.000 2.131 775 A HA -0.189 4.122 4.320 -0.015 0.000 0.220 775 A C 1.516 179.118 177.584 0.031 0.000 1.158 775 A CA 2.075 53.863 52.037 -0.415 0.000 0.665 775 A CB -0.585 18.277 19.000 -0.229 0.000 0.795 775 A HN 0.279 nan 8.150 nan 0.000 0.460 776 D N -3.292 117.181 120.400 0.122 0.000 2.433 776 D HA 0.120 4.751 4.640 -0.015 0.000 0.211 776 D C 1.067 177.556 176.300 0.314 0.000 1.114 776 D CA -0.145 53.990 54.000 0.225 0.000 0.837 776 D CB -0.095 40.826 40.800 0.201 0.000 0.984 776 D HN 0.508 nan 8.370 nan 0.000 0.505 777 Y N 2.051 122.461 120.300 0.184 0.000 2.097 777 Y HA -0.182 4.360 4.550 -0.014 0.000 0.282 777 Y C 1.923 177.931 175.900 0.181 0.000 1.152 777 Y CA 1.900 60.120 58.100 0.200 0.000 1.136 777 Y CB 0.132 38.689 38.460 0.161 0.000 0.975 777 Y HN -0.085 nan 8.280 nan 0.000 0.498 778 E N -0.368 119.861 120.200 0.048 0.000 2.051 778 E HA -0.208 4.133 4.350 -0.015 0.000 0.192 778 E C 2.054 178.617 176.600 -0.062 0.000 0.991 778 E CA 1.284 57.632 56.400 -0.087 0.000 0.799 778 E CB -0.098 29.660 29.700 0.096 0.000 0.748 778 E HN 0.429 nan 8.360 nan 0.000 0.449 779 E N 0.054 120.305 120.200 0.086 0.000 2.204 779 E HA -0.164 4.177 4.350 -0.015 0.000 0.194 779 E C 1.687 178.324 176.600 0.062 0.000 0.989 779 E CA 0.669 57.145 56.400 0.126 0.000 0.824 779 E CB -0.239 29.609 29.700 0.247 0.000 0.756 779 E HN 0.355 nan 8.360 nan 0.000 0.477 780 Y N 0.849 121.035 120.300 -0.189 0.000 2.184 780 Y HA -0.159 4.382 4.550 -0.015 0.000 0.290 780 Y C 2.130 177.660 175.900 -0.617 0.000 1.129 780 Y CA 1.009 58.703 58.100 -0.676 0.000 1.144 780 Y CB -0.345 37.763 38.460 -0.587 0.000 0.995 780 Y HN -0.180 nan 8.280 nan 0.000 0.513 781 V N 0.804 120.369 119.914 -0.580 0.000 2.343 781 V HA -0.304 3.807 4.120 -0.015 0.000 0.247 781 V C 2.251 178.083 176.094 -0.436 0.000 1.051 781 V CA 2.315 64.254 62.300 -0.601 0.000 1.036 781 V CB -0.647 30.883 31.823 -0.489 0.000 0.654 781 V HN 0.295 nan 8.190 nan 0.000 0.451 782 K N -0.724 119.498 120.400 -0.297 0.000 2.057 782 K HA -0.194 4.118 4.320 -0.015 0.000 0.207 782 K C 2.295 178.779 176.600 -0.195 0.000 1.049 782 K CA 1.658 57.835 56.287 -0.183 0.000 0.931 782 K CB -0.586 31.860 32.500 -0.089 0.000 0.714 782 K HN 0.540 nan 8.250 nan 0.000 0.440 783 C N 1.438 120.590 119.300 -0.246 0.000 2.425 783 C HA -0.092 4.359 4.460 -0.015 0.000 0.277 783 C C 2.581 177.341 174.990 -0.383 0.000 1.280 783 C CA 0.822 59.716 59.018 -0.206 0.000 1.744 783 C CB -0.609 27.021 27.740 -0.183 0.000 1.989 783 C HN 0.423 nan 8.230 nan 0.000 0.491 784 Q N 0.318 119.756 119.800 -0.604 0.000 2.167 784 Q HA -0.143 4.188 4.340 -0.015 0.000 0.202 784 Q C 2.012 177.781 176.000 -0.385 0.000 0.970 784 Q CA 1.432 56.846 55.803 -0.649 0.000 0.855 784 Q CB -0.356 27.776 28.738 -1.010 0.000 0.911 784 Q HN 0.754 nan 8.270 nan 0.000 0.438 785 E N 0.295 120.326 120.200 -0.282 0.000 2.110 785 E HA -0.150 4.191 4.350 -0.015 0.000 0.193 785 E C 2.078 178.615 176.600 -0.106 0.000 0.988 785 E CA 0.720 57.027 56.400 -0.155 0.000 0.804 785 E CB 0.082 29.714 29.700 -0.112 0.000 0.745 785 E HN 0.236 nan 8.360 nan 0.000 0.458 786 R N 0.192 120.632 120.500 -0.100 0.000 2.092 786 R HA -0.083 4.248 4.340 -0.015 0.000 0.231 786 R C 2.418 178.701 176.300 -0.030 0.000 1.119 786 R CA 0.905 57.023 56.100 0.029 0.000 0.970 786 R CB -0.395 30.014 30.300 0.182 0.000 0.864 786 R HN 0.086 nan 8.270 nan 0.000 0.440 787 V N 1.127 120.798 119.914 -0.405 0.000 2.287 787 V HA -0.260 3.851 4.120 -0.015 0.000 0.248 787 V C 2.160 178.228 176.094 -0.044 0.000 1.053 787 V CA 2.186 64.165 62.300 -0.534 0.000 1.027 787 V CB -0.367 31.054 31.823 -0.670 0.000 0.646 787 V HN 0.334 nan 8.190 nan 0.000 0.447 788 S N 0.252 115.895 115.700 -0.095 0.000 2.402 788 S HA -0.085 4.376 4.470 -0.015 0.000 0.229 788 S C 2.152 176.801 174.600 0.081 0.000 1.021 788 S CA 1.123 59.305 58.200 -0.029 0.000 0.974 788 S CB -0.418 62.731 63.200 -0.086 0.000 0.800 788 S HN 0.642 nan 8.310 nan 0.000 0.484 789 A N 1.957 124.830 122.820 0.088 0.000 1.858 789 A HA -0.019 4.292 4.320 -0.015 0.000 0.216 789 A C 2.122 179.813 177.584 0.180 0.000 1.190 789 A CA 1.342 53.452 52.037 0.122 0.000 0.617 789 A CB -0.819 18.246 19.000 0.108 0.000 0.827 789 A HN 0.403 nan 8.150 nan 0.000 0.443 790 L N -1.711 119.678 121.223 0.277 0.000 2.042 790 L HA -0.156 4.175 4.340 -0.015 0.000 0.210 790 L C 2.261 179.375 176.870 0.408 0.000 1.076 790 L CA 2.153 57.230 54.840 0.396 0.000 0.749 790 L CB -1.010 41.417 42.059 0.614 0.000 0.893 790 L HN 0.508 nan 8.230 nan 0.000 0.432 791 Y N 0.295 120.697 120.300 0.169 0.000 2.274 791 Y HA -0.233 4.309 4.550 -0.013 0.000 0.290 791 Y C 2.386 178.212 175.900 -0.124 0.000 1.145 791 Y CA 1.677 59.617 58.100 -0.267 0.000 1.203 791 Y CB -0.100 37.976 38.460 -0.639 0.000 0.984 791 Y HN 0.193 nan 8.280 nan 0.000 0.533 792 K N -0.032 120.414 120.400 0.077 0.000 2.360 792 K HA -0.181 4.130 4.320 -0.015 0.000 0.201 792 K C 0.196 176.787 176.600 -0.014 0.000 1.046 792 K CA 0.985 57.310 56.287 0.064 0.000 0.945 792 K CB -0.241 32.331 32.500 0.120 0.000 0.750 792 K HN 0.143 nan 8.250 nan 0.000 0.464 793 N N 0.210 118.903 118.700 -0.011 0.000 2.776 793 N HA 0.144 4.876 4.740 -0.015 0.000 0.245 793 N C -2.391 173.104 175.510 -0.025 0.000 1.121 793 N CA -2.261 50.783 53.050 -0.009 0.000 0.852 793 N CB 1.421 39.933 38.487 0.041 0.000 1.142 793 N HN -0.266 nan 8.380 nan 0.000 0.514 794 P HA -0.248 nan 4.420 nan 0.000 0.217 794 P C 1.268 178.569 177.300 0.001 0.000 1.158 794 P CA 1.275 64.296 63.100 -0.132 0.000 0.887 794 P CB 0.262 31.869 31.700 -0.154 0.000 0.792 795 R N -0.288 120.214 120.500 0.003 0.000 2.096 795 R HA -0.175 4.156 4.340 -0.015 0.000 0.235 795 R C 1.847 178.173 176.300 0.044 0.000 1.127 795 R CA 1.495 57.607 56.100 0.020 0.000 0.968 795 R CB -0.310 29.996 30.300 0.011 0.000 0.861 795 R HN 0.052 nan 8.270 nan 0.000 0.440 796 E N -0.229 120.010 120.200 0.065 0.000 2.170 796 E HA -0.148 4.194 4.350 -0.015 0.000 0.191 796 E C 1.355 178.013 176.600 0.096 0.000 0.981 796 E CA 0.567 57.008 56.400 0.068 0.000 0.830 796 E CB -0.454 29.291 29.700 0.074 0.000 0.775 796 E HN 0.455 nan 8.360 nan 0.000 0.470 797 W N 1.647 122.922 121.300 -0.042 0.000 2.354 797 W HA -0.191 4.460 4.660 -0.015 0.000 0.315 797 W C 1.471 177.972 176.519 -0.031 0.000 1.206 797 W CA 2.201 59.529 57.345 -0.028 0.000 1.290 797 W CB -0.490 28.896 29.460 -0.122 0.000 1.152 797 W HN 0.042 nan 8.180 nan 0.000 0.489 798 T N 1.306 115.950 114.554 0.150 0.000 2.684 798 T HA -0.212 4.129 4.350 -0.015 0.000 0.267 798 T C 1.872 176.541 174.700 -0.052 0.000 1.036 798 T CA 1.941 64.060 62.100 0.032 0.000 1.148 798 T CB -0.473 68.412 68.868 0.027 0.000 0.863 798 T HN 0.166 nan 8.240 nan 0.000 0.436 799 R N 0.364 120.851 120.500 -0.021 0.000 2.127 799 R HA 0.022 4.353 4.340 -0.015 0.000 0.238 799 R C 2.477 178.749 176.300 -0.047 0.000 1.134 799 R CA 1.241 57.333 56.100 -0.012 0.000 0.975 799 R CB -0.340 29.966 30.300 0.009 0.000 0.865 799 R HN 0.401 nan 8.270 nan 0.000 0.447 800 M N 0.289 119.824 119.600 -0.108 0.000 2.288 800 M HA -0.087 4.384 4.480 -0.015 0.000 0.266 800 M C 1.861 178.049 176.300 -0.185 0.000 1.072 800 M CA 1.091 56.297 55.300 -0.157 0.000 1.132 800 M CB 0.322 32.781 32.600 -0.234 0.000 1.386 800 M HN -0.031 nan 8.290 nan 0.000 0.432 801 V N 1.003 120.776 119.914 -0.235 0.000 2.295 801 V HA -0.305 3.806 4.120 -0.015 0.000 0.246 801 V C 2.230 178.274 176.094 -0.083 0.000 1.049 801 V CA 1.871 64.056 62.300 -0.192 0.000 1.024 801 V CB -0.557 31.163 31.823 -0.172 0.000 0.648 801 V HN 0.493 nan 8.190 nan 0.000 0.447 802 I N -0.405 120.131 120.570 -0.056 0.000 2.248 802 I HA -0.305 3.856 4.170 -0.015 0.000 0.248 802 I C 2.649 178.799 176.117 0.056 0.000 1.107 802 I CA 1.677 62.992 61.300 0.026 0.000 1.373 802 I CB -0.388 37.666 38.000 0.089 0.000 1.055 802 I HN 0.254 nan 8.210 nan 0.000 0.418 803 R N 0.208 120.720 120.500 0.020 0.000 2.189 803 R HA -0.057 4.274 4.340 -0.015 0.000 0.218 803 R C 1.927 178.250 176.300 0.038 0.000 1.074 803 R CA 0.774 56.891 56.100 0.027 0.000 0.991 803 R CB -0.261 30.040 30.300 0.002 0.000 0.883 803 R HN 0.529 nan 8.270 nan 0.000 0.457 804 N N 0.638 119.354 118.700 0.026 0.000 2.182 804 N HA -0.013 4.718 4.740 -0.015 0.000 0.186 804 N C 1.926 177.483 175.510 0.079 0.000 1.036 804 N CA 0.867 53.956 53.050 0.065 0.000 0.850 804 N CB 0.074 38.580 38.487 0.032 0.000 1.010 804 N HN 0.063 nan 8.380 nan 0.000 0.432 805 I N 1.910 122.513 120.570 0.054 0.000 2.151 805 I HA -0.281 3.880 4.170 -0.015 0.000 0.243 805 I C 2.462 178.620 176.117 0.068 0.000 1.080 805 I CA 1.106 62.442 61.300 0.060 0.000 1.339 805 I CB -0.459 37.566 38.000 0.041 0.000 1.039 805 I HN 0.105 nan 8.210 nan 0.000 0.409 806 A N 0.420 123.284 122.820 0.073 0.000 2.076 806 A HA -0.190 4.121 4.320 -0.015 0.000 0.220 806 A C 2.051 179.671 177.584 0.060 0.000 1.160 806 A CA 2.246 54.323 52.037 0.066 0.000 0.653 806 A CB -0.880 18.168 19.000 0.080 0.000 0.801 806 A HN 0.585 nan 8.150 nan 0.000 0.455 807 T N -3.132 111.471 114.554 0.080 0.000 3.129 807 T HA 0.182 4.524 4.350 -0.015 0.000 0.267 807 T C 1.158 175.951 174.700 0.155 0.000 1.018 807 T CA 0.592 62.746 62.100 0.090 0.000 0.903 807 T CB -0.103 68.815 68.868 0.083 0.000 1.067 807 T HN 0.470 nan 8.240 nan 0.000 0.549 808 S N 0.595 116.400 115.700 0.176 0.000 2.562 808 S HA 0.210 4.672 4.470 -0.015 0.000 0.221 808 S C 2.265 177.002 174.600 0.227 0.000 0.975 808 S CA 0.269 58.648 58.200 0.297 0.000 0.918 808 S CB -0.717 62.619 63.200 0.227 0.000 0.772 808 S HN 0.543 nan 8.310 nan 0.000 0.531 809 G N 3.211 112.069 108.800 0.097 0.000 2.547 809 G HA2 -0.368 3.584 3.960 -0.015 0.000 0.221 809 G HA3 -0.368 3.584 3.960 -0.015 0.000 0.221 809 G C 1.332 176.196 174.900 -0.060 0.000 1.140 809 G CA 1.304 46.424 45.100 0.034 0.000 0.760 809 G HN 0.720 nan 8.290 nan 0.000 0.583 810 K N -0.266 119.991 120.400 -0.239 0.000 2.442 810 K HA 0.082 4.394 4.320 -0.015 0.000 0.198 810 K C 0.962 177.211 176.600 -0.585 0.000 1.042 810 K CA 0.603 56.612 56.287 -0.464 0.000 0.958 810 K CB -0.281 31.829 32.500 -0.649 0.000 0.766 810 K HN 0.291 nan 8.250 nan 0.000 0.474 811 F N 1.285 121.260 119.950 0.042 0.000 2.660 811 F HA 0.232 4.749 4.527 -0.015 0.000 0.297 811 F C 0.510 176.352 175.800 0.069 0.000 1.132 811 F CA -0.573 57.457 58.000 0.051 0.000 1.372 811 F CB 0.122 39.147 39.000 0.041 0.000 1.003 811 F HN -0.043 nan 8.300 nan 0.000 0.524 812 S N -0.133 115.647 115.700 0.133 0.000 2.525 812 S HA 0.180 4.641 4.470 -0.015 0.000 0.278 812 S C 1.362 176.044 174.600 0.137 0.000 1.234 812 S CA -0.253 58.028 58.200 0.135 0.000 1.058 812 S CB 0.992 64.245 63.200 0.088 0.000 0.983 812 S HN 0.285 nan 8.310 nan 0.000 0.495 813 S N 3.416 119.224 115.700 0.181 0.000 2.469 813 S HA -0.107 4.355 4.470 -0.015 0.000 0.238 813 S C 0.969 175.636 174.600 0.112 0.000 0.998 813 S CA 0.938 59.271 58.200 0.222 0.000 0.957 813 S CB -0.476 62.918 63.200 0.324 0.000 0.764 813 S HN 0.804 nan 8.310 nan 0.000 0.514 814 D N 1.789 122.235 120.400 0.077 0.000 2.117 814 D HA -0.087 4.544 4.640 -0.015 0.000 0.197 814 D C 2.091 178.401 176.300 0.016 0.000 0.987 814 D CA 0.847 54.868 54.000 0.035 0.000 0.829 814 D CB -0.312 40.506 40.800 0.029 0.000 0.961 814 D HN 0.264 nan 8.370 nan 0.000 0.460 815 R N 0.718 121.229 120.500 0.018 0.000 2.066 815 R HA -0.087 4.244 4.340 -0.015 0.000 0.232 815 R C 1.871 178.166 176.300 -0.008 0.000 1.131 815 R CA 1.480 57.575 56.100 -0.009 0.000 0.955 815 R CB -0.779 29.500 30.300 -0.035 0.000 0.851 815 R HN 0.152 nan 8.270 nan 0.000 0.432 816 T N 2.394 116.970 114.554 0.037 0.000 2.622 816 T HA -0.139 4.202 4.350 -0.015 0.000 0.266 816 T C 1.985 176.710 174.700 0.041 0.000 1.047 816 T CA 1.434 63.583 62.100 0.082 0.000 1.159 816 T CB -0.200 68.814 68.868 0.245 0.000 0.863 816 T HN 0.094 nan 8.240 nan 0.000 0.422 817 I N 1.931 122.447 120.570 -0.090 0.000 2.208 817 I HA -0.155 4.006 4.170 -0.015 0.000 0.245 817 I C 2.933 179.012 176.117 -0.064 0.000 1.097 817 I CA 1.153 62.344 61.300 -0.182 0.000 1.363 817 I CB -1.655 36.235 38.000 -0.184 0.000 1.051 817 I HN 0.225 nan 8.210 nan 0.000 0.413 818 A N 0.053 122.854 122.820 -0.032 0.000 2.019 818 A HA -0.223 4.089 4.320 -0.015 0.000 0.219 818 A C 2.205 179.753 177.584 -0.060 0.000 1.164 818 A CA 1.369 53.393 52.037 -0.021 0.000 0.644 818 A CB -0.473 18.518 19.000 -0.015 0.000 0.805 818 A HN 0.576 nan 8.150 nan 0.000 0.449 819 Q N -2.135 117.605 119.800 -0.099 0.000 2.163 819 Q HA -0.084 4.247 4.340 -0.015 0.000 0.198 819 Q C 1.819 177.648 176.000 -0.285 0.000 0.954 819 Q CA 1.189 56.890 55.803 -0.169 0.000 0.851 819 Q CB -0.243 28.380 28.738 -0.191 0.000 0.928 819 Q HN 0.809 nan 8.270 nan 0.000 0.459 820 Y N 1.158 121.158 120.300 -0.500 0.000 2.114 820 Y HA -0.264 4.277 4.550 -0.015 0.000 0.284 820 Y C 2.562 177.895 175.900 -0.944 0.000 1.143 820 Y CA 1.292 58.825 58.100 -0.945 0.000 1.135 820 Y CB -0.484 37.056 38.460 -1.534 0.000 0.980 820 Y HN 0.140 nan 8.280 nan 0.000 0.499 821 A N 0.524 123.134 122.820 -0.350 0.000 1.849 821 A HA -0.283 4.029 4.320 -0.015 0.000 0.217 821 A C 2.250 179.874 177.584 0.067 0.000 1.202 821 A CA 2.429 54.555 52.037 0.148 0.000 0.629 821 A CB -0.770 18.362 19.000 0.220 0.000 0.834 821 A HN 0.442 nan 8.150 nan 0.000 0.447 822 R N -0.720 119.774 120.500 -0.009 0.000 2.090 822 R HA -0.067 4.264 4.340 -0.015 0.000 0.228 822 R C 1.972 178.254 176.300 -0.029 0.000 1.110 822 R CA 1.539 57.636 56.100 -0.005 0.000 0.973 822 R CB -0.226 30.064 30.300 -0.018 0.000 0.869 822 R HN 0.698 nan 8.270 nan 0.000 0.440 823 E N -0.552 119.588 120.200 -0.100 0.000 2.400 823 E HA 0.059 4.400 4.350 -0.015 0.000 0.195 823 E C 1.431 177.974 176.600 -0.095 0.000 1.012 823 E CA 0.501 56.841 56.400 -0.100 0.000 0.875 823 E CB 0.481 30.091 29.700 -0.150 0.000 0.859 823 E HN 0.304 nan 8.360 nan 0.000 0.498 824 I N -1.163 119.314 120.570 -0.155 0.000 3.739 824 I HA 0.004 4.166 4.170 -0.015 0.000 0.272 824 I C 1.426 177.654 176.117 0.185 0.000 1.167 824 I CA -0.122 61.129 61.300 -0.083 0.000 1.386 824 I CB 0.220 38.026 38.000 -0.324 0.000 1.490 824 I HN 0.097 nan 8.210 nan 0.000 0.452 825 W N 1.431 122.819 121.300 0.146 0.000 2.476 825 W HA 0.229 4.880 4.660 -0.015 0.000 0.281 825 W C 1.722 178.275 176.519 0.056 0.000 1.230 825 W CA 1.156 58.567 57.345 0.109 0.000 1.287 825 W CB -1.152 28.353 29.460 0.075 0.000 1.108 825 W HN 0.364 nan 8.180 nan 0.000 0.567 826 G N 0.316 109.261 108.800 0.243 0.000 2.137 826 G HA2 -0.160 3.791 3.960 -0.015 0.000 0.237 826 G HA3 -0.160 3.791 3.960 -0.015 0.000 0.237 826 G C -0.205 174.764 174.900 0.115 0.000 1.002 826 G CA 0.168 45.350 45.100 0.137 0.000 0.702 826 G HN 0.434 nan 8.290 nan 0.000 0.515 827 V N -2.958 117.048 119.914 0.153 0.000 2.769 827 V HA 0.918 5.029 4.120 -0.015 0.000 0.312 827 V C -0.198 175.952 176.094 0.093 0.000 1.061 827 V CA -1.422 60.941 62.300 0.105 0.000 0.931 827 V CB 2.226 34.108 31.823 0.098 0.000 1.010 827 V HN 0.303 nan 8.190 nan 0.000 0.433 828 E N 4.428 124.663 120.200 0.059 0.000 2.167 828 E HA 0.626 4.967 4.350 -0.015 0.000 0.284 828 E C -2.455 174.175 176.600 0.050 0.000 1.016 828 E CA -1.959 54.471 56.400 0.049 0.000 0.817 828 E CB 1.129 30.850 29.700 0.035 0.000 1.080 828 E HN 0.770 nan 8.360 nan 0.000 0.397 829 P HA 0.233 nan 4.420 nan 0.000 0.274 829 P C -0.937 176.387 177.300 0.040 0.000 1.260 829 P CA -0.534 62.595 63.100 0.048 0.000 0.793 829 P CB 0.893 32.620 31.700 0.044 0.000 1.048 830 S N -0.695 115.029 115.700 0.039 0.000 2.625 830 S HA 0.560 5.021 4.470 -0.015 0.000 0.271 830 S C -0.383 174.237 174.600 0.033 0.000 1.161 830 S CA -0.627 57.595 58.200 0.037 0.000 0.820 830 S CB 1.011 64.238 63.200 0.045 0.000 1.137 830 S HN 0.260 nan 8.310 nan 0.000 0.470 831 R N 0.806 121.322 120.500 0.027 0.000 2.549 831 R HA 0.250 4.581 4.340 -0.015 0.000 0.399 831 R C -0.671 175.639 176.300 0.016 0.000 0.964 831 R CA -0.242 55.873 56.100 0.024 0.000 1.173 831 R CB 0.463 30.778 30.300 0.025 0.000 1.535 831 R HN 0.579 nan 8.270 nan 0.000 0.551 832 Q N 1.662 121.471 119.800 0.014 0.000 2.271 832 Q HA 0.063 4.394 4.340 -0.015 0.000 0.273 832 Q C 0.089 176.082 176.000 -0.013 0.000 1.051 832 Q CA 0.316 56.121 55.803 0.003 0.000 0.901 832 Q CB 0.708 29.452 28.738 0.009 0.000 1.174 832 Q HN -0.030 nan 8.270 nan 0.000 0.385 833 R N 2.862 123.349 120.500 -0.022 0.000 2.446 833 R HA -0.019 4.312 4.340 -0.015 0.000 0.314 833 R C -0.023 176.241 176.300 -0.060 0.000 1.003 833 R CA -0.267 55.809 56.100 -0.040 0.000 1.018 833 R CB 0.177 30.453 30.300 -0.040 0.000 0.945 833 R HN 0.373 nan 8.270 nan 0.000 0.419 834 L N 8.024 129.198 121.223 -0.082 0.000 2.461 834 L HA 0.106 4.437 4.340 -0.015 0.000 0.272 834 L C -1.287 175.522 176.870 -0.102 0.000 1.197 834 L CA -1.151 53.610 54.840 -0.132 0.000 0.836 834 L CB 0.786 42.748 42.059 -0.162 0.000 1.105 834 L HN 0.580 nan 8.230 nan 0.000 0.477 835 P HA -0.133 nan 4.420 nan 0.000 0.215 835 P C 0.036 177.304 177.300 -0.053 0.000 1.157 835 P CA 1.059 64.119 63.100 -0.067 0.000 0.863 835 P CB -0.209 31.455 31.700 -0.060 0.000 0.787 836 A N 2.075 124.859 122.820 -0.060 0.000 2.415 836 A HA -0.075 4.236 4.320 -0.015 0.000 0.298 836 A C -0.995 176.577 177.584 -0.020 0.000 1.070 836 A CA 0.030 52.046 52.037 -0.036 0.000 1.116 836 A CB -1.024 17.952 19.000 -0.040 0.000 0.849 836 A HN 0.305 nan 8.150 nan 0.000 0.478 837 P HA 0.147 nan 4.420 nan 0.000 0.232 837 P C -0.015 177.300 177.300 0.025 0.000 1.170 837 P CA 1.038 64.140 63.100 0.003 0.000 0.824 837 P CB 0.276 31.976 31.700 0.001 0.000 0.896 838 D N -1.307 119.106 120.400 0.021 0.000 3.814 838 D HA -0.093 4.538 4.640 -0.015 0.000 0.216 838 D C -1.333 174.974 176.300 0.011 0.000 1.030 838 D CA -0.330 53.686 54.000 0.027 0.000 1.229 838 D CB -0.645 40.177 40.800 0.037 0.000 4.536 838 D HN -0.086 nan 8.370 nan 0.000 0.566 839 E N 2.357 122.560 120.200 0.006 0.000 1.892 839 E HA 0.174 4.515 4.350 -0.015 0.000 0.271 839 E C 0.349 176.943 176.600 -0.011 0.000 1.146 839 E CA -0.167 56.231 56.400 -0.003 0.000 1.096 839 E CB 0.292 29.988 29.700 -0.006 0.000 1.155 839 E HN 0.219 nan 8.360 nan 0.000 0.458 840 K N 1.620 122.015 120.400 -0.009 0.000 2.243 840 K HA 0.155 4.466 4.320 -0.015 0.000 0.201 840 K C 0.842 177.433 176.600 -0.014 0.000 1.051 840 K CA 0.499 56.778 56.287 -0.014 0.000 0.970 840 K CB 0.531 33.027 32.500 -0.007 0.000 0.755 840 K HN 0.381 nan 8.250 nan 0.000 0.465 841 I N 0.000 120.564 120.570 -0.010 0.000 2.984 841 I HA 0.000 4.161 4.170 -0.015 0.000 0.288 841 I CA 0.000 61.294 61.300 -0.011 0.000 1.566 841 I CB 0.000 37.996 38.000 -0.007 0.000 1.214 841 I HN 0.000 nan 8.210 nan 0.000 0.494