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 1wv1_1_A DATA FIRST_RESID 13 DATA SEQUENCE ISVRGLAGVE NVTELKKNFN RHLHFTLVKD RNVATPRDYY FALAHTVRDH DATA SEQUENCE LVGRWIRTQQ HYYEKDPKRI YYLSLEFYMG RTLQNTMVNL ALENACDEAT DATA SEQUENCE YQLGLDMEEL EEIEEDAGLG NGGLGRLAAC FLDSMATLGL AAYGYGIRYE DATA SEQUENCE FGIFNQKICG GWQMEEADDW LRYGNPWEKA RPEFTLPVHF YGRVEHTSQG DATA SEQUENCE AKWVDTQVVL AMPYDTPVPG YRNNVVNTMR LWSAKAPNDF NLKDFNVGGY DATA SEQUENCE IQAVLDRNLA ENISRVLYPN DNFFEGKELR LKQEYFVVAA TLQDIIRRFK DATA SEQUENCE SSXXXXXXXX XTNFDAFPDK VAIQLNDTHP SLAIPELMRV LVDLERLDWD DATA SEQUENCE KAWEVTVKTC AYTNHTVIPE ALERWPVHLL ETLLPRHLQI IYEINQRFLN DATA SEQUENCE RVAAAFPGDV DRLRRMSLVE EGAVKRINMA HLCIAGSHAV NGVARIHSEI DATA SEQUENCE LKKTIFKDFY ELEPHKFQNK TNGITPRRWL VLCNPGLAEI IAERIGEEYI DATA SEQUENCE SDLDQLRKLL SYVDDEAFIR DVAKVKQENK LKFAAYLERE YKVHINPNSL DATA SEQUENCE FDVQVKRIHE YKRQLLNCLH VITLYNRIKK EPNKFVVPRT VMIGGKAAPG DATA SEQUENCE YHMAKMIIKL ITAIGDVVNH DPVVGDRLRV IFLENYRVSL AEKVIPAADL DATA SEQUENCE SEQISTAGTE ASGTGNMKFM LNGALTIGTM DGANVEMAEE AGEENFFIFG DATA SEQUENCE MRVEDVDRLD QRGYNAQEYY DRIPELRQII EQLSSGFFSP KQPDLFKDIV DATA SEQUENCE NMLMHHDRFK VFADYEEYVK CQERVSALYK NPREWTRMVI RNIATSGKFS DATA SEQUENCE SDRTIAQYAR EIWGVEPSRQ RLPAP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 13 I HA 0.000 nan 4.170 nan 0.000 0.288 13 I C 0.000 176.106 176.117 -0.018 0.000 1.063 13 I CA 0.000 61.279 61.300 -0.034 0.000 1.566 13 I CB 0.000 37.971 38.000 -0.048 0.000 1.214 14 S N 0.477 116.171 115.700 -0.010 0.000 2.817 14 S HA 0.064 4.527 4.470 -0.010 0.000 0.252 14 S C 0.381 174.984 174.600 0.006 0.000 1.397 14 S CA -0.246 57.956 58.200 0.003 0.000 0.986 14 S CB 0.417 63.623 63.200 0.010 0.000 0.947 14 S HN 0.621 nan 8.310 nan 0.000 0.554 15 V N 2.095 122.020 119.914 0.018 0.000 2.847 15 V HA 0.198 4.312 4.120 -0.010 0.000 0.364 15 V C 0.640 176.744 176.094 0.018 0.000 1.374 15 V CA -0.225 62.087 62.300 0.020 0.000 1.542 15 V CB -1.177 30.668 31.823 0.037 0.000 1.471 15 V HN 0.554 nan 8.190 nan 0.000 0.557 16 R N 1.888 122.391 120.500 0.005 0.000 2.480 16 R HA 0.462 4.796 4.340 -0.010 0.000 0.277 16 R C 0.839 177.130 176.300 -0.014 0.000 1.008 16 R CA 0.520 56.620 56.100 -0.000 0.000 1.090 16 R CB 0.396 30.692 30.300 -0.006 0.000 1.234 16 R HN 0.660 nan 8.270 nan 0.000 0.549 17 G N 0.700 109.490 108.800 -0.016 0.000 2.566 17 G HA2 -0.172 3.782 3.960 -0.010 0.000 0.599 17 G HA3 -0.172 3.782 3.960 -0.010 0.000 0.599 17 G C -1.333 173.551 174.900 -0.027 0.000 1.292 17 G CA -1.088 43.995 45.100 -0.030 0.000 0.922 17 G HN 0.002 nan 8.290 nan 0.000 0.514 18 L N 0.541 121.746 121.223 -0.030 0.000 2.343 18 L HA 0.755 5.089 4.340 -0.010 0.000 0.275 18 L C 1.241 178.096 176.870 -0.026 0.000 1.056 18 L CA -0.003 54.822 54.840 -0.025 0.000 0.804 18 L CB 1.297 43.343 42.059 -0.022 0.000 1.203 18 L HN 1.554 nan 8.230 nan 0.000 0.440 19 A N 2.508 125.315 122.820 -0.021 0.000 3.173 19 A HA 0.569 4.883 4.320 -0.010 0.000 0.304 19 A C 0.773 178.350 177.584 -0.010 0.000 1.318 19 A CA -0.287 51.739 52.037 -0.018 0.000 1.069 19 A CB -0.730 18.257 19.000 -0.022 0.000 1.147 19 A HN 0.778 nan 8.150 nan 0.000 0.547 20 G N -0.264 108.531 108.800 -0.008 0.000 2.474 20 G HA2 0.286 4.240 3.960 -0.010 0.000 0.233 20 G HA3 0.286 4.240 3.960 -0.010 0.000 0.233 20 G C 1.023 175.927 174.900 0.006 0.000 1.278 20 G CA 0.084 45.183 45.100 -0.001 0.000 0.861 20 G HN 0.429 nan 8.290 nan 0.000 0.567 21 V N 1.990 121.909 119.914 0.008 0.000 2.261 21 V HA -0.167 3.947 4.120 -0.010 0.000 0.246 21 V C 2.697 178.802 176.094 0.019 0.000 1.047 21 V CA 2.412 64.720 62.300 0.013 0.000 1.015 21 V CB -0.701 31.129 31.823 0.011 0.000 0.642 21 V HN 0.779 nan 8.190 nan 0.000 0.446 22 E N 0.330 120.542 120.200 0.020 0.000 2.077 22 E HA -0.182 4.161 4.350 -0.010 0.000 0.193 22 E C 2.049 178.672 176.600 0.038 0.000 0.989 22 E CA 1.508 57.924 56.400 0.027 0.000 0.800 22 E CB -0.293 29.422 29.700 0.025 0.000 0.746 22 E HN 0.639 nan 8.360 nan 0.000 0.452 23 N N -1.179 117.542 118.700 0.036 0.000 2.331 23 N HA -0.077 4.657 4.740 -0.010 0.000 0.180 23 N C 1.324 176.862 175.510 0.047 0.000 1.019 23 N CA 0.418 53.496 53.050 0.048 0.000 0.881 23 N CB 0.329 38.833 38.487 0.029 0.000 0.972 23 N HN -0.040 nan 8.380 nan 0.000 0.435 24 V N -0.236 119.697 119.914 0.032 0.000 2.548 24 V HA -0.141 3.973 4.120 -0.010 0.000 0.249 24 V C 1.913 178.032 176.094 0.042 0.000 1.055 24 V CA 1.536 63.854 62.300 0.031 0.000 1.065 24 V CB -0.484 31.351 31.823 0.021 0.000 0.681 24 V HN 0.376 nan 8.190 nan 0.000 0.462 25 T N -0.355 114.225 114.554 0.043 0.000 2.737 25 T HA -0.191 4.153 4.350 -0.010 0.000 0.265 25 T C 1.897 176.635 174.700 0.064 0.000 1.038 25 T CA 1.740 63.867 62.100 0.046 0.000 1.144 25 T CB -0.119 68.772 68.868 0.037 0.000 0.866 25 T HN 0.503 nan 8.240 nan 0.000 0.434 26 E N 0.822 121.066 120.200 0.074 0.000 2.051 26 E HA -0.106 4.238 4.350 -0.010 0.000 0.192 26 E C 1.971 178.651 176.600 0.134 0.000 0.991 26 E CA 0.830 57.287 56.400 0.094 0.000 0.799 26 E CB -0.517 29.245 29.700 0.103 0.000 0.748 26 E HN 0.138 nan 8.360 nan 0.000 0.449 27 L N 0.995 122.306 121.223 0.146 0.000 2.012 27 L HA -0.177 4.157 4.340 -0.010 0.000 0.210 27 L C 2.171 179.155 176.870 0.189 0.000 1.073 27 L CA 1.924 56.875 54.840 0.185 0.000 0.748 27 L CB -0.840 41.294 42.059 0.125 0.000 0.891 27 L HN 0.117 nan 8.230 nan 0.000 0.431 28 K N -0.295 120.180 120.400 0.125 0.000 2.063 28 K HA -0.210 4.103 4.320 -0.010 0.000 0.208 28 K C 1.951 178.665 176.600 0.190 0.000 1.048 28 K CA 1.824 58.185 56.287 0.124 0.000 0.928 28 K CB -0.099 32.433 32.500 0.054 0.000 0.713 28 K HN 0.438 nan 8.250 nan 0.000 0.442 29 K N 0.171 120.658 120.400 0.145 0.000 2.155 29 K HA -0.023 4.291 4.320 -0.010 0.000 0.203 29 K C 1.632 178.327 176.600 0.158 0.000 1.052 29 K CA 1.167 57.533 56.287 0.133 0.000 0.948 29 K CB -0.102 32.448 32.500 0.084 0.000 0.728 29 K HN 0.035 nan 8.250 nan 0.000 0.448 30 N N 0.616 119.426 118.700 0.184 0.000 2.270 30 N HA -0.095 4.639 4.740 -0.010 0.000 0.181 30 N C 1.553 177.247 175.510 0.307 0.000 1.016 30 N CA 0.873 54.039 53.050 0.194 0.000 0.870 30 N CB -0.162 38.452 38.487 0.211 0.000 0.979 30 N HN 0.190 nan 8.380 nan 0.000 0.431 31 F N 2.520 122.584 119.950 0.189 0.000 2.102 31 F HA -0.059 4.462 4.527 -0.010 0.000 0.298 31 F C 1.960 177.879 175.800 0.200 0.000 1.105 31 F CA 1.228 59.352 58.000 0.206 0.000 1.239 31 F CB -0.160 38.930 39.000 0.151 0.000 0.991 31 F HN -0.046 nan 8.300 nan 0.000 0.474 32 N N 0.380 119.290 118.700 0.350 0.000 2.244 32 N HA -0.135 4.598 4.740 -0.010 0.000 0.183 32 N C 2.080 177.670 175.510 0.134 0.000 1.016 32 N CA 0.614 53.794 53.050 0.217 0.000 0.866 32 N CB -0.451 38.162 38.487 0.209 0.000 0.980 32 N HN 0.313 nan 8.380 nan 0.000 0.430 33 R N 0.681 121.260 120.500 0.132 0.000 2.070 33 R HA -0.096 4.237 4.340 -0.010 0.000 0.233 33 R C 1.721 178.097 176.300 0.126 0.000 1.137 33 R CA 1.477 57.668 56.100 0.152 0.000 0.945 33 R CB -0.492 29.799 30.300 -0.016 0.000 0.845 33 R HN 0.421 nan 8.270 nan 0.000 0.430 34 H N -0.157 118.959 119.070 0.075 0.000 2.387 34 H HA -0.136 4.413 4.556 -0.010 0.000 0.299 34 H C 1.838 177.110 175.328 -0.095 0.000 1.090 34 H CA 1.488 57.517 56.048 -0.030 0.000 1.332 34 H CB -0.022 29.687 29.762 -0.087 0.000 1.386 34 H HN 0.081 nan 8.280 nan 0.000 0.516 35 L N -0.089 121.112 121.223 -0.036 0.000 2.131 35 L HA -0.183 4.151 4.340 -0.010 0.000 0.210 35 L C 2.148 178.995 176.870 -0.038 0.000 1.092 35 L CA 1.817 56.596 54.840 -0.102 0.000 0.759 35 L CB -0.390 41.590 42.059 -0.132 0.000 0.903 35 L HN 0.307 nan 8.230 nan 0.000 0.435 36 H N -1.845 117.157 119.070 -0.113 0.000 2.287 36 H HA -0.031 4.518 4.556 -0.011 0.000 0.309 36 H C 1.817 176.967 175.328 -0.298 0.000 1.059 36 H CA 2.120 58.025 56.048 -0.239 0.000 1.357 36 H CB -0.286 29.270 29.762 -0.344 0.000 1.409 36 H HN 0.264 nan 8.280 nan 0.000 0.515 37 F N -0.138 119.787 119.950 -0.041 0.000 2.163 37 F HA -0.062 4.458 4.527 -0.011 0.000 0.297 37 F C 2.612 178.323 175.800 -0.148 0.000 1.094 37 F CA 1.537 59.466 58.000 -0.118 0.000 1.290 37 F CB -0.453 38.504 39.000 -0.072 0.000 1.017 37 F HN 0.191 nan 8.300 nan 0.000 0.483 38 T N -0.236 114.344 114.554 0.045 0.000 2.852 38 T HA -0.004 4.340 4.350 -0.010 0.000 0.256 38 T C 1.666 176.278 174.700 -0.146 0.000 1.038 38 T CA 0.752 62.806 62.100 -0.077 0.000 1.141 38 T CB -0.193 68.603 68.868 -0.120 0.000 0.869 38 T HN -0.061 nan 8.240 nan 0.000 0.439 39 L N 1.177 122.318 121.223 -0.138 0.000 2.567 39 L HA 0.283 4.617 4.340 -0.010 0.000 0.225 39 L C 1.014 177.787 176.870 -0.161 0.000 1.119 39 L CA 0.259 55.005 54.840 -0.156 0.000 0.871 39 L CB -0.882 41.093 42.059 -0.139 0.000 1.036 39 L HN 0.075 nan 8.230 nan 0.000 0.459 40 V N -0.913 118.886 119.914 -0.192 0.000 4.253 40 V HA -0.331 3.783 4.120 -0.010 0.000 0.233 40 V C 0.963 176.927 176.094 -0.217 0.000 0.511 40 V CA 1.098 63.246 62.300 -0.253 0.000 0.872 40 V CB -2.051 29.654 31.823 -0.196 0.000 0.899 40 V HN 0.387 nan 8.190 nan 0.000 1.196 41 K N 0.670 120.963 120.400 -0.178 0.000 2.258 41 K HA 0.625 4.939 4.320 -0.010 0.000 0.236 41 K C -0.192 176.362 176.600 -0.077 0.000 1.008 41 K CA -0.632 55.579 56.287 -0.127 0.000 0.869 41 K CB 2.272 34.694 32.500 -0.130 0.000 1.171 41 K HN 0.435 nan 8.250 nan 0.000 0.447 42 D N 0.537 120.914 120.400 -0.038 0.000 2.527 42 D HA 0.189 4.823 4.640 -0.010 0.000 0.233 42 D C 0.591 176.914 176.300 0.038 0.000 1.063 42 D CA -0.416 53.598 54.000 0.023 0.000 0.880 42 D CB 1.349 42.161 40.800 0.020 0.000 1.457 42 D HN 0.220 nan 8.370 nan 0.000 0.475 43 R N 1.788 122.345 120.500 0.094 0.000 2.204 43 R HA -0.144 4.189 4.340 -0.010 0.000 0.253 43 R C 1.219 177.588 176.300 0.116 0.000 1.172 43 R CA 1.036 57.228 56.100 0.153 0.000 0.994 43 R CB -0.633 29.763 30.300 0.161 0.000 0.874 43 R HN 0.559 nan 8.270 nan 0.000 0.462 44 N N 0.460 119.198 118.700 0.064 0.000 2.457 44 N HA -0.064 4.670 4.740 -0.010 0.000 0.180 44 N C 1.327 176.853 175.510 0.028 0.000 1.050 44 N CA 1.316 54.395 53.050 0.047 0.000 0.906 44 N CB 0.434 38.938 38.487 0.030 0.000 0.968 44 N HN 0.204 nan 8.380 nan 0.000 0.445 45 V N -2.934 116.982 119.914 0.003 0.000 3.330 45 V HA 0.495 4.609 4.120 -0.010 0.000 0.309 45 V C 0.595 176.649 176.094 -0.066 0.000 1.481 45 V CA -0.714 61.573 62.300 -0.021 0.000 1.068 45 V CB -0.109 31.697 31.823 -0.028 0.000 0.935 45 V HN 0.014 nan 8.190 nan 0.000 0.453 46 A N 2.142 124.898 122.820 -0.107 0.000 2.450 46 A HA 0.599 4.913 4.320 -0.010 0.000 0.255 46 A C 0.778 178.176 177.584 -0.310 0.000 1.096 46 A CA 0.715 52.570 52.037 -0.304 0.000 0.778 46 A CB -0.079 18.585 19.000 -0.560 0.000 1.031 46 A HN 0.748 nan 8.150 nan 0.000 0.494 47 T N 0.735 115.131 114.554 -0.263 0.000 2.927 47 T HA 0.513 4.856 4.350 -0.010 0.000 0.281 47 T C -2.061 172.574 174.700 -0.108 0.000 0.998 47 T CA -1.767 60.263 62.100 -0.116 0.000 1.019 47 T CB 1.124 69.962 68.868 -0.050 0.000 1.061 47 T HN 0.281 nan 8.240 nan 0.000 0.518 48 P HA -0.096 nan 4.420 nan 0.000 0.218 48 P C 1.543 178.957 177.300 0.190 0.000 1.146 48 P CA 0.829 64.072 63.100 0.238 0.000 0.813 48 P CB 0.050 31.853 31.700 0.173 0.000 0.778 49 R N 0.119 120.678 120.500 0.099 0.000 2.092 49 R HA -0.113 4.220 4.340 -0.010 0.000 0.231 49 R C 1.762 178.223 176.300 0.268 0.000 1.119 49 R CA 1.689 57.882 56.100 0.154 0.000 0.970 49 R CB -0.971 29.371 30.300 0.070 0.000 0.864 49 R HN 0.067 nan 8.270 nan 0.000 0.440 50 D N -0.495 119.958 120.400 0.088 0.000 2.117 50 D HA -0.173 4.461 4.640 -0.010 0.000 0.198 50 D C 1.617 177.937 176.300 0.033 0.000 0.982 50 D CA 1.294 55.304 54.000 0.017 0.000 0.828 50 D CB -0.266 40.394 40.800 -0.233 0.000 0.967 50 D HN 0.275 nan 8.370 nan 0.000 0.464 51 Y N 0.236 120.632 120.300 0.161 0.000 2.181 51 Y HA -0.227 4.317 4.550 -0.010 0.000 0.288 51 Y C 2.344 178.380 175.900 0.227 0.000 1.146 51 Y CA 0.480 58.719 58.100 0.232 0.000 1.164 51 Y CB -1.117 37.538 38.460 0.325 0.000 0.982 51 Y HN 0.110 nan 8.280 nan 0.000 0.515 52 Y N -0.690 119.751 120.300 0.235 0.000 2.181 52 Y HA -0.247 4.297 4.550 -0.011 0.000 0.288 52 Y C 1.932 177.810 175.900 -0.038 0.000 1.146 52 Y CA 1.128 59.265 58.100 0.062 0.000 1.164 52 Y CB -1.121 37.269 38.460 -0.116 0.000 0.982 52 Y HN 0.058 nan 8.280 nan 0.000 0.515 53 F N 0.221 119.911 119.950 -0.433 0.000 2.146 53 F HA -0.106 4.415 4.527 -0.010 0.000 0.298 53 F C 2.665 178.297 175.800 -0.280 0.000 1.096 53 F CA 1.233 58.934 58.000 -0.498 0.000 1.275 53 F CB -0.737 38.157 39.000 -0.177 0.000 1.008 53 F HN 0.186 nan 8.300 nan 0.000 0.480 54 A N -0.137 122.650 122.820 -0.056 0.000 1.902 54 A HA -0.199 4.115 4.320 -0.010 0.000 0.217 54 A C 2.043 179.563 177.584 -0.106 0.000 1.181 54 A CA 1.630 53.536 52.037 -0.218 0.000 0.623 54 A CB -1.004 17.549 19.000 -0.745 0.000 0.818 54 A HN 0.360 nan 8.150 nan 0.000 0.443 55 L N -0.330 120.937 121.223 0.074 0.000 2.027 55 L HA -0.007 4.327 4.340 -0.010 0.000 0.206 55 L C 2.703 179.587 176.870 0.023 0.000 1.074 55 L CA 2.171 57.160 54.840 0.247 0.000 0.745 55 L CB -0.850 41.406 42.059 0.329 0.000 0.898 55 L HN 0.333 nan 8.230 nan 0.000 0.433 56 A N -1.349 121.321 122.820 -0.250 0.000 1.908 56 A HA -0.287 4.026 4.320 -0.010 0.000 0.218 56 A C 2.145 179.412 177.584 -0.528 0.000 1.181 56 A CA 2.048 53.835 52.037 -0.418 0.000 0.627 56 A CB -1.091 17.362 19.000 -0.913 0.000 0.818 56 A HN 0.685 nan 8.150 nan 0.000 0.445 57 H N -0.955 117.832 119.070 -0.470 0.000 2.389 57 H HA -0.045 4.505 4.556 -0.010 0.000 0.299 57 H C 2.310 177.366 175.328 -0.454 0.000 1.081 57 H CA 1.940 57.633 56.048 -0.592 0.000 1.345 57 H CB -0.025 29.154 29.762 -0.972 0.000 1.393 57 H HN 0.472 nan 8.280 nan 0.000 0.520 58 T N -0.493 113.986 114.554 -0.125 0.000 2.777 58 T HA -0.113 4.231 4.350 -0.010 0.000 0.266 58 T C 2.224 177.084 174.700 0.268 0.000 1.040 58 T CA 1.213 63.414 62.100 0.169 0.000 1.141 58 T CB -0.313 68.737 68.868 0.304 0.000 0.868 58 T HN 0.092 nan 8.240 nan 0.000 0.444 59 V N 1.693 121.741 119.914 0.225 0.000 2.453 59 V HA -0.089 4.025 4.120 -0.010 0.000 0.247 59 V C 2.642 178.924 176.094 0.313 0.000 1.048 59 V CA 1.461 63.941 62.300 0.300 0.000 1.049 59 V CB -0.594 31.401 31.823 0.287 0.000 0.672 59 V HN 0.382 nan 8.190 nan 0.000 0.457 60 R N 0.214 120.849 120.500 0.224 0.000 2.120 60 R HA -0.201 4.132 4.340 -0.010 0.000 0.234 60 R C 1.839 178.245 176.300 0.176 0.000 1.123 60 R CA 1.922 58.159 56.100 0.228 0.000 0.975 60 R CB -0.412 29.878 30.300 -0.017 0.000 0.866 60 R HN 0.428 nan 8.270 nan 0.000 0.446 61 D N 0.023 120.502 120.400 0.133 0.000 2.182 61 D HA -0.155 4.479 4.640 -0.010 0.000 0.201 61 D C 1.608 177.915 176.300 0.012 0.000 0.986 61 D CA 1.046 55.092 54.000 0.078 0.000 0.847 61 D CB -0.263 40.572 40.800 0.059 0.000 0.942 61 D HN 0.427 nan 8.370 nan 0.000 0.467 62 H N -0.398 118.737 119.070 0.109 0.000 2.524 62 H HA 0.035 4.585 4.556 -0.010 0.000 0.282 62 H C 1.964 177.335 175.328 0.071 0.000 1.016 62 H CA 0.651 56.748 56.048 0.082 0.000 1.270 62 H CB 0.459 30.262 29.762 0.068 0.000 1.394 62 H HN 0.283 nan 8.280 nan 0.000 0.568 63 L N -1.464 119.867 121.223 0.181 0.000 2.638 63 L HA 0.152 4.485 4.340 -0.010 0.000 0.232 63 L C 2.197 179.175 176.870 0.180 0.000 1.099 63 L CA 0.105 55.022 54.840 0.128 0.000 0.883 63 L CB -0.334 41.755 42.059 0.050 0.000 1.136 63 L HN -0.116 nan 8.230 nan 0.000 0.492 64 V N -1.318 118.726 119.914 0.216 0.000 2.407 64 V HA -0.033 4.081 4.120 -0.010 0.000 0.248 64 V C 2.506 178.715 176.094 0.192 0.000 1.055 64 V CA 1.814 64.284 62.300 0.284 0.000 1.049 64 V CB -1.858 30.092 31.823 0.212 0.000 0.662 64 V HN 0.375 nan 8.190 nan 0.000 0.455 65 G N 0.191 109.060 108.800 0.115 0.000 2.440 65 G HA2 -0.247 3.707 3.960 -0.010 0.000 0.218 65 G HA3 -0.247 3.707 3.960 -0.010 0.000 0.218 65 G C 1.805 176.753 174.900 0.080 0.000 1.154 65 G CA 1.040 46.183 45.100 0.071 0.000 0.767 65 G HN 0.522 nan 8.290 nan 0.000 0.552 66 R N -1.556 119.002 120.500 0.096 0.000 2.090 66 R HA -0.020 4.313 4.340 -0.010 0.000 0.228 66 R C 2.243 178.626 176.300 0.138 0.000 1.110 66 R CA 0.803 56.948 56.100 0.074 0.000 0.973 66 R CB -0.325 30.001 30.300 0.043 0.000 0.869 66 R HN 0.459 nan 8.270 nan 0.000 0.440 67 W N 1.607 122.889 121.300 -0.030 0.000 2.335 67 W HA -0.131 4.523 4.660 -0.010 0.000 0.311 67 W C 1.664 178.154 176.519 -0.049 0.000 1.213 67 W CA 1.104 58.427 57.345 -0.037 0.000 1.274 67 W CB -0.650 28.808 29.460 -0.003 0.000 1.148 67 W HN -0.013 nan 8.180 nan 0.000 0.498 68 I N 0.789 121.425 120.570 0.110 0.000 2.226 68 I HA -0.355 3.809 4.170 -0.010 0.000 0.245 68 I C 2.623 178.729 176.117 -0.018 0.000 1.100 68 I CA 1.843 63.125 61.300 -0.031 0.000 1.374 68 I CB -0.460 37.523 38.000 -0.029 0.000 1.057 68 I HN -0.039 nan 8.210 nan 0.000 0.413 69 R N -0.234 120.268 120.500 0.005 0.000 2.115 69 R HA -0.040 4.294 4.340 -0.010 0.000 0.226 69 R C 2.085 178.357 176.300 -0.047 0.000 1.100 69 R CA 1.561 57.656 56.100 -0.009 0.000 0.980 69 R CB -1.161 29.132 30.300 -0.013 0.000 0.875 69 R HN 0.252 nan 8.270 nan 0.000 0.445 70 T N 1.641 116.140 114.554 -0.090 0.000 2.674 70 T HA -0.117 4.227 4.350 -0.010 0.000 0.265 70 T C 1.871 176.289 174.700 -0.471 0.000 1.039 70 T CA 1.236 63.169 62.100 -0.278 0.000 1.150 70 T CB -0.109 68.629 68.868 -0.217 0.000 0.864 70 T HN 0.167 nan 8.240 nan 0.000 0.427 71 Q N 1.149 120.815 119.800 -0.225 0.000 2.084 71 Q HA -0.146 4.188 4.340 -0.010 0.000 0.202 71 Q C 2.434 178.439 176.000 0.008 0.000 0.978 71 Q CA 1.651 57.390 55.803 -0.107 0.000 0.844 71 Q CB -0.634 28.091 28.738 -0.021 0.000 0.898 71 Q HN 0.827 nan 8.270 nan 0.000 0.426 72 Q N -0.554 119.254 119.800 0.013 0.000 2.124 72 Q HA -0.224 4.110 4.340 -0.010 0.000 0.202 72 Q C 1.872 177.972 176.000 0.166 0.000 0.977 72 Q CA 1.821 57.678 55.803 0.089 0.000 0.850 72 Q CB -0.446 28.322 28.738 0.049 0.000 0.901 72 Q HN 0.460 nan 8.270 nan 0.000 0.429 73 H N -0.305 118.757 119.070 -0.013 0.000 2.321 73 H HA -0.177 4.372 4.556 -0.010 0.000 0.300 73 H C 1.115 176.546 175.328 0.171 0.000 1.087 73 H CA 2.239 58.303 56.048 0.027 0.000 1.319 73 H CB -0.276 29.445 29.762 -0.069 0.000 1.379 73 H HN 0.377 nan 8.280 nan 0.000 0.501 74 Y N -0.997 119.363 120.300 0.100 0.000 2.333 74 Y HA -0.174 4.370 4.550 -0.011 0.000 0.290 74 Y C 2.341 178.274 175.900 0.054 0.000 1.144 74 Y CA 0.904 59.027 58.100 0.037 0.000 1.228 74 Y CB -1.259 37.287 38.460 0.143 0.000 0.985 74 Y HN 0.399 nan 8.280 nan 0.000 0.542 75 Y N 1.099 121.489 120.300 0.150 0.000 2.220 75 Y HA -0.116 4.428 4.550 -0.011 0.000 0.291 75 Y C 2.084 178.001 175.900 0.028 0.000 1.129 75 Y CA 1.535 59.687 58.100 0.086 0.000 1.161 75 Y CB -0.055 38.447 38.460 0.070 0.000 0.997 75 Y HN 0.011 nan 8.280 nan 0.000 0.522 76 E N 0.288 120.493 120.200 0.009 0.000 2.028 76 E HA -0.155 4.188 4.350 -0.010 0.000 0.191 76 E C 1.909 178.410 176.600 -0.164 0.000 0.988 76 E CA 1.156 57.498 56.400 -0.097 0.000 0.799 76 E CB -0.155 29.556 29.700 0.018 0.000 0.755 76 E HN 0.362 nan 8.360 nan 0.000 0.447 77 K N 0.776 121.062 120.400 -0.190 0.000 2.228 77 K HA -0.069 4.244 4.320 -0.010 0.000 0.202 77 K C 0.221 176.743 176.600 -0.130 0.000 1.051 77 K CA 0.480 56.660 56.287 -0.180 0.000 0.960 77 K CB -0.446 31.887 32.500 -0.279 0.000 0.743 77 K HN 0.072 nan 8.250 nan 0.000 0.458 78 D N 0.601 120.933 120.400 -0.113 0.000 2.737 78 D HA -0.104 4.530 4.640 -0.010 0.000 0.238 78 D C -2.344 173.916 176.300 -0.067 0.000 1.157 78 D CA 0.122 54.068 54.000 -0.089 0.000 0.694 78 D CB -0.236 40.483 40.800 -0.135 0.000 1.021 78 D HN 0.173 nan 8.370 nan 0.000 0.420 79 P HA 0.168 nan 4.420 nan 0.000 0.282 79 P C -0.238 177.009 177.300 -0.089 0.000 1.287 79 P CA -0.696 62.353 63.100 -0.085 0.000 0.792 79 P CB 0.612 32.242 31.700 -0.117 0.000 1.163 80 K N 0.855 121.204 120.400 -0.086 0.000 2.412 80 K HA 0.099 4.413 4.320 -0.010 0.000 0.281 80 K C -0.134 176.369 176.600 -0.162 0.000 1.027 80 K CA -0.093 56.137 56.287 -0.095 0.000 0.989 80 K CB 0.242 32.702 32.500 -0.066 0.000 0.935 80 K HN 0.228 nan 8.250 nan 0.000 0.475 81 R N 3.606 123.991 120.500 -0.192 0.000 2.368 81 R HA 0.355 4.689 4.340 -0.010 0.000 0.302 81 R C -0.585 175.411 176.300 -0.506 0.000 1.002 81 R CA -0.480 55.423 56.100 -0.329 0.000 0.929 81 R CB 0.865 30.972 30.300 -0.322 0.000 1.073 81 R HN 0.516 nan 8.270 nan 0.000 0.464 82 I N 4.486 124.717 120.570 -0.565 0.000 2.339 82 I HA 0.224 4.388 4.170 -0.010 0.000 0.290 82 I C -0.703 175.092 176.117 -0.536 0.000 0.994 82 I CA -0.789 60.129 61.300 -0.636 0.000 1.191 82 I CB 0.844 38.370 38.000 -0.792 0.000 1.343 82 I HN 0.524 nan 8.210 nan 0.000 0.458 83 Y N 5.802 126.067 120.300 -0.059 0.000 2.334 83 Y HA 0.286 4.830 4.550 -0.010 0.000 0.336 83 Y C -0.279 175.718 175.900 0.161 0.000 0.960 83 Y CA -0.758 57.438 58.100 0.160 0.000 1.164 83 Y CB 1.130 39.655 38.460 0.108 0.000 1.155 83 Y HN 0.394 nan 8.280 nan 0.000 0.478 84 Y N 4.643 125.134 120.300 0.319 0.000 2.594 84 Y HA 0.449 4.993 4.550 -0.010 0.000 0.342 84 Y C -1.129 175.043 175.900 0.454 0.000 1.010 84 Y CA -0.972 57.318 58.100 0.318 0.000 1.270 84 Y CB 0.148 38.796 38.460 0.313 0.000 1.125 84 Y HN 0.524 nan 8.280 nan 0.000 0.513 85 L N 4.556 125.834 121.223 0.091 0.000 2.281 85 L HA 0.429 4.763 4.340 -0.010 0.000 0.285 85 L C -0.078 176.805 176.870 0.022 0.000 1.074 85 L CA 0.278 55.222 54.840 0.173 0.000 0.817 85 L CB 1.149 43.270 42.059 0.103 0.000 1.168 85 L HN 0.563 nan 8.230 nan 0.000 0.434 86 S N 2.721 118.514 115.700 0.154 0.000 2.533 86 S HA 0.471 4.935 4.470 -0.010 0.000 0.271 86 S C 0.102 174.774 174.600 0.119 0.000 1.143 86 S CA -0.564 57.624 58.200 -0.019 0.000 0.891 86 S CB 0.947 63.925 63.200 -0.369 0.000 1.105 86 S HN 0.460 nan 8.310 nan 0.000 0.468 87 L N 2.892 124.234 121.223 0.198 0.000 2.591 87 L HA 0.468 4.802 4.340 -0.010 0.000 0.228 87 L C 0.291 177.347 176.870 0.310 0.000 1.133 87 L CA 0.890 55.914 54.840 0.308 0.000 0.880 87 L CB -0.120 42.137 42.059 0.330 0.000 1.033 87 L HN 0.654 nan 8.230 nan 0.000 0.450 88 E N -1.303 118.945 120.200 0.079 0.000 2.308 88 E HA 0.399 4.743 4.350 -0.010 0.000 0.275 88 E C -1.384 175.063 176.600 -0.255 0.000 0.890 88 E CA -0.456 55.973 56.400 0.048 0.000 0.754 88 E CB 1.923 31.643 29.700 0.033 0.000 1.207 88 E HN -0.159 nan 8.360 nan 0.000 0.426 89 F N 2.144 122.205 119.950 0.184 0.000 3.090 89 F HA 0.163 4.683 4.527 -0.011 0.000 0.381 89 F C -0.907 174.985 175.800 0.152 0.000 1.231 89 F CA -0.708 57.393 58.000 0.168 0.000 1.177 89 F CB 0.866 39.960 39.000 0.157 0.000 1.598 89 F HN 0.483 nan 8.300 nan 0.000 0.589 90 Y N 4.857 125.235 120.300 0.130 0.000 2.530 90 Y HA 0.151 4.695 4.550 -0.010 0.000 0.340 90 Y C 1.121 177.046 175.900 0.043 0.000 1.247 90 Y CA -0.747 57.383 58.100 0.049 0.000 1.727 90 Y CB 0.256 38.729 38.460 0.020 0.000 1.613 90 Y HN 0.516 nan 8.280 nan 0.000 0.464 91 M N 1.365 121.103 119.600 0.230 0.000 2.236 91 M HA 0.115 4.588 4.480 -0.010 0.000 0.266 91 M C 1.560 177.842 176.300 -0.030 0.000 1.070 91 M CA 1.115 56.458 55.300 0.071 0.000 1.137 91 M CB -1.259 31.362 32.600 0.035 0.000 1.378 91 M HN 0.660 nan 8.290 nan 0.000 0.426 92 G N 1.048 109.843 108.800 -0.009 0.000 2.645 92 G HA2 -0.265 3.689 3.960 -0.010 0.000 0.239 92 G HA3 -0.265 3.689 3.960 -0.010 0.000 0.239 92 G C -0.399 174.462 174.900 -0.065 0.000 1.331 92 G CA -0.335 44.721 45.100 -0.073 0.000 0.890 92 G HN 0.443 nan 8.290 nan 0.000 0.572 93 R N -0.592 119.854 120.500 -0.089 0.000 2.679 93 R HA 0.537 4.871 4.340 -0.010 0.000 0.269 93 R C 1.620 177.814 176.300 -0.176 0.000 1.076 93 R CA 0.520 56.577 56.100 -0.072 0.000 1.160 93 R CB 0.699 30.959 30.300 -0.066 0.000 1.054 93 R HN 0.904 nan 8.270 nan 0.000 0.507 94 T N -0.333 114.064 114.554 -0.261 0.000 3.004 94 T HA 0.031 4.374 4.350 -0.010 0.000 0.266 94 T C 1.238 175.541 174.700 -0.662 0.000 0.986 94 T CA -0.246 61.520 62.100 -0.557 0.000 0.902 94 T CB 0.195 68.516 68.868 -0.911 0.000 1.118 94 T HN 0.339 nan 8.240 nan 0.000 0.522 95 L N 1.771 122.828 121.223 -0.277 0.000 1.976 95 L HA 0.158 4.492 4.340 -0.010 0.000 0.209 95 L C 2.590 179.421 176.870 -0.064 0.000 1.071 95 L CA 2.225 57.057 54.840 -0.013 0.000 0.746 95 L CB -0.918 41.369 42.059 0.381 0.000 0.890 95 L HN 0.378 nan 8.230 nan 0.000 0.432 96 Q N -0.623 119.143 119.800 -0.058 0.000 2.084 96 Q HA -0.260 4.074 4.340 -0.010 0.000 0.202 96 Q C 2.233 178.164 176.000 -0.116 0.000 0.978 96 Q CA 1.894 57.658 55.803 -0.065 0.000 0.844 96 Q CB -0.344 28.354 28.738 -0.067 0.000 0.898 96 Q HN 0.702 nan 8.270 nan 0.000 0.426 97 N N -0.952 117.639 118.700 -0.181 0.000 2.149 97 N HA -0.149 4.585 4.740 -0.010 0.000 0.188 97 N C 1.335 176.741 175.510 -0.174 0.000 1.019 97 N CA 1.786 54.719 53.050 -0.194 0.000 0.857 97 N CB 0.057 38.394 38.487 -0.251 0.000 0.997 97 N HN 0.231 nan 8.380 nan 0.000 0.426 98 T N 1.083 115.502 114.554 -0.225 0.000 2.821 98 T HA -0.012 4.331 4.350 -0.010 0.000 0.267 98 T C 2.049 176.690 174.700 -0.098 0.000 1.046 98 T CA 0.857 62.843 62.100 -0.191 0.000 1.139 98 T CB -0.022 68.689 68.868 -0.262 0.000 0.871 98 T HN 0.257 nan 8.240 nan 0.000 0.454 99 M N 0.576 120.134 119.600 -0.070 0.000 2.159 99 M HA -0.084 4.389 4.480 -0.010 0.000 0.263 99 M C 2.409 178.679 176.300 -0.050 0.000 1.063 99 M CA 1.223 56.496 55.300 -0.044 0.000 1.110 99 M CB -0.517 32.072 32.600 -0.019 0.000 1.374 99 M HN 0.113 nan 8.290 nan 0.000 0.411 100 V N 0.758 120.647 119.914 -0.042 0.000 2.261 100 V HA -0.255 3.859 4.120 -0.010 0.000 0.246 100 V C 1.714 177.824 176.094 0.027 0.000 1.047 100 V CA 1.837 64.139 62.300 0.002 0.000 1.015 100 V CB -0.870 30.954 31.823 0.002 0.000 0.642 100 V HN 0.463 nan 8.190 nan 0.000 0.446 101 N N -0.257 118.449 118.700 0.011 0.000 2.520 101 N HA -0.044 4.690 4.740 -0.010 0.000 0.185 101 N C 1.065 176.483 175.510 -0.153 0.000 1.068 101 N CA 0.714 53.755 53.050 -0.015 0.000 0.911 101 N CB -0.042 38.443 38.487 -0.003 0.000 0.961 101 N HN 0.290 nan 8.380 nan 0.000 0.446 102 L N -0.533 120.617 121.223 -0.121 0.000 2.693 102 L HA 0.411 4.745 4.340 -0.010 0.000 0.235 102 L C 0.574 177.364 176.870 -0.134 0.000 1.127 102 L CA -0.145 54.622 54.840 -0.122 0.000 0.914 102 L CB -0.501 41.510 42.059 -0.080 0.000 1.193 102 L HN 0.084 nan 8.230 nan 0.000 0.502 103 A N -0.552 122.189 122.820 -0.131 0.000 2.869 103 A HA -0.216 4.097 4.320 -0.010 0.000 0.280 103 A C 1.076 178.605 177.584 -0.092 0.000 1.458 103 A CA 0.967 52.938 52.037 -0.111 0.000 0.776 103 A CB -1.977 16.942 19.000 -0.134 0.000 1.028 103 A HN 0.210 nan 8.150 nan 0.000 0.547 104 L N -0.832 120.336 121.223 -0.091 0.000 2.590 104 L HA 0.232 4.566 4.340 -0.010 0.000 0.227 104 L C 1.881 178.714 176.870 -0.062 0.000 1.099 104 L CA 1.656 56.435 54.840 -0.102 0.000 0.872 104 L CB -0.419 41.554 42.059 -0.143 0.000 1.088 104 L HN 0.629 nan 8.230 nan 0.000 0.479 105 E N -0.013 120.162 120.200 -0.043 0.000 2.086 105 E HA -0.291 4.053 4.350 -0.010 0.000 0.205 105 E C 1.696 178.283 176.600 -0.022 0.000 1.027 105 E CA 1.919 58.304 56.400 -0.024 0.000 0.830 105 E CB 0.202 29.891 29.700 -0.018 0.000 0.751 105 E HN 0.406 nan 8.360 nan 0.000 0.456 106 N N -0.333 118.351 118.700 -0.028 0.000 2.171 106 N HA -0.091 4.643 4.740 -0.010 0.000 0.184 106 N C 1.567 177.061 175.510 -0.028 0.000 1.021 106 N CA 1.249 54.282 53.050 -0.029 0.000 0.854 106 N CB -0.500 37.969 38.487 -0.030 0.000 0.994 106 N HN 0.257 nan 8.380 nan 0.000 0.426 107 A N 0.638 123.439 122.820 -0.032 0.000 1.865 107 A HA -0.187 4.127 4.320 -0.010 0.000 0.217 107 A C 2.699 180.272 177.584 -0.017 0.000 1.191 107 A CA 1.587 53.608 52.037 -0.027 0.000 0.623 107 A CB -1.176 17.799 19.000 -0.042 0.000 0.826 107 A HN 0.449 nan 8.150 nan 0.000 0.444 108 C N -0.886 118.403 119.300 -0.019 0.000 2.425 108 C HA -0.089 4.364 4.460 -0.010 0.000 0.277 108 C C 2.512 177.501 174.990 -0.002 0.000 1.280 108 C CA 1.208 60.225 59.018 -0.001 0.000 1.744 108 C CB -1.169 26.580 27.740 0.015 0.000 1.989 108 C HN 0.686 nan 8.230 nan 0.000 0.491 109 D N 0.467 120.866 120.400 -0.002 0.000 2.117 109 D HA -0.134 4.500 4.640 -0.010 0.000 0.197 109 D C 2.126 178.438 176.300 0.019 0.000 0.987 109 D CA 1.511 55.513 54.000 0.004 0.000 0.829 109 D CB -0.260 40.532 40.800 -0.013 0.000 0.961 109 D HN 0.506 nan 8.370 nan 0.000 0.460 110 E N 0.483 120.685 120.200 0.004 0.000 2.028 110 E HA -0.072 4.272 4.350 -0.010 0.000 0.191 110 E C 1.925 178.568 176.600 0.072 0.000 0.988 110 E CA 1.767 58.185 56.400 0.029 0.000 0.799 110 E CB -0.627 29.073 29.700 -0.000 0.000 0.755 110 E HN 0.174 nan 8.360 nan 0.000 0.447 111 A N -0.062 122.767 122.820 0.015 0.000 1.892 111 A HA -0.245 4.069 4.320 -0.010 0.000 0.218 111 A C 2.511 180.033 177.584 -0.105 0.000 1.188 111 A CA 3.081 55.103 52.037 -0.025 0.000 0.631 111 A CB -1.585 17.401 19.000 -0.025 0.000 0.822 111 A HN 0.547 nan 8.150 nan 0.000 0.447 112 T N -3.875 110.602 114.554 -0.128 0.000 2.915 112 T HA -0.189 4.154 4.350 -0.010 0.000 0.269 112 T C 1.793 176.406 174.700 -0.146 0.000 1.071 112 T CA 1.468 63.424 62.100 -0.241 0.000 1.132 112 T CB -0.528 68.231 68.868 -0.182 0.000 0.878 112 T HN 0.500 nan 8.240 nan 0.000 0.479 113 Y N 2.182 122.400 120.300 -0.136 0.000 2.145 113 Y HA -0.076 4.468 4.550 -0.010 0.000 0.286 113 Y C 2.648 178.488 175.900 -0.099 0.000 1.145 113 Y CA 1.538 59.579 58.100 -0.099 0.000 1.148 113 Y CB -0.483 37.938 38.460 -0.065 0.000 0.981 113 Y HN 0.226 nan 8.280 nan 0.000 0.507 114 Q N -0.773 118.973 119.800 -0.090 0.000 2.170 114 Q HA -0.142 4.192 4.340 -0.010 0.000 0.203 114 Q C 1.599 177.477 176.000 -0.203 0.000 0.976 114 Q CA 1.038 56.750 55.803 -0.151 0.000 0.858 114 Q CB -0.122 28.605 28.738 -0.017 0.000 0.907 114 Q HN 0.352 nan 8.270 nan 0.000 0.433 115 L N -0.484 120.606 121.223 -0.222 0.000 2.599 115 L HA 0.108 4.442 4.340 -0.010 0.000 0.230 115 L C 1.079 177.791 176.870 -0.263 0.000 1.141 115 L CA 1.257 55.953 54.840 -0.239 0.000 0.877 115 L CB -0.653 41.180 42.059 -0.376 0.000 1.009 115 L HN 0.354 nan 8.230 nan 0.000 0.447 116 G N -0.178 108.441 108.800 -0.300 0.000 2.176 116 G HA2 -0.266 3.688 3.960 -0.010 0.000 0.252 116 G HA3 -0.266 3.688 3.960 -0.010 0.000 0.252 116 G C 0.092 174.842 174.900 -0.251 0.000 1.024 116 G CA 0.452 45.377 45.100 -0.291 0.000 0.755 116 G HN 0.322 nan 8.290 nan 0.000 0.507 117 L N -0.483 120.589 121.223 -0.252 0.000 2.341 117 L HA 0.608 4.942 4.340 -0.010 0.000 0.267 117 L C -0.464 176.354 176.870 -0.087 0.000 1.009 117 L CA -1.216 53.503 54.840 -0.201 0.000 0.819 117 L CB 1.851 43.727 42.059 -0.305 0.000 1.323 117 L HN 0.068 nan 8.230 nan 0.000 0.425 118 D N 1.970 122.351 120.400 -0.032 0.000 2.396 118 D HA 0.150 4.784 4.640 -0.010 0.000 0.225 118 D C 0.684 177.005 176.300 0.034 0.000 1.121 118 D CA -0.277 53.737 54.000 0.023 0.000 0.853 118 D CB 1.473 42.294 40.800 0.035 0.000 1.043 118 D HN 0.546 nan 8.370 nan 0.000 0.500 119 M N 3.386 123.009 119.600 0.038 0.000 2.144 119 M HA -0.180 4.294 4.480 -0.010 0.000 0.260 119 M C 1.364 177.704 176.300 0.066 0.000 1.067 119 M CA 1.651 56.984 55.300 0.055 0.000 1.095 119 M CB 0.139 32.766 32.600 0.045 0.000 1.365 119 M HN 0.392 nan 8.290 nan 0.000 0.406 120 E N -0.271 119.961 120.200 0.053 0.000 2.153 120 E HA -0.242 4.102 4.350 -0.010 0.000 0.194 120 E C 1.890 178.523 176.600 0.055 0.000 0.988 120 E CA 1.349 57.779 56.400 0.051 0.000 0.811 120 E CB -0.102 29.626 29.700 0.047 0.000 0.746 120 E HN 0.656 nan 8.360 nan 0.000 0.466 121 E N 0.179 120.413 120.200 0.058 0.000 2.106 121 E HA -0.179 4.165 4.350 -0.010 0.000 0.192 121 E C 1.857 178.496 176.600 0.065 0.000 0.984 121 E CA 0.486 56.921 56.400 0.057 0.000 0.806 121 E CB 0.208 29.942 29.700 0.056 0.000 0.750 121 E HN 0.084 nan 8.360 nan 0.000 0.458 122 L N 1.142 122.424 121.223 0.097 0.000 2.109 122 L HA -0.104 4.230 4.340 -0.010 0.000 0.207 122 L C 2.052 178.978 176.870 0.092 0.000 1.086 122 L CA 1.554 56.484 54.840 0.150 0.000 0.760 122 L CB -0.482 41.717 42.059 0.233 0.000 0.910 122 L HN 0.098 nan 8.230 nan 0.000 0.437 123 E N -0.647 119.598 120.200 0.075 0.000 2.110 123 E HA -0.194 4.150 4.350 -0.010 0.000 0.193 123 E C 1.805 178.364 176.600 -0.068 0.000 0.988 123 E CA 0.812 57.227 56.400 0.026 0.000 0.804 123 E CB 0.090 29.814 29.700 0.040 0.000 0.745 123 E HN 0.356 nan 8.360 nan 0.000 0.458 124 E N 0.014 120.192 120.200 -0.036 0.000 2.409 124 E HA -0.119 4.224 4.350 -0.010 0.000 0.198 124 E C 1.717 178.256 176.600 -0.102 0.000 1.024 124 E CA 0.555 56.934 56.400 -0.035 0.000 0.861 124 E CB 0.084 29.796 29.700 0.019 0.000 0.788 124 E HN 0.424 nan 8.360 nan 0.000 0.521 125 I N 0.667 121.112 120.570 -0.208 0.000 2.876 125 I HA -0.077 4.087 4.170 -0.010 0.000 0.264 125 I C 1.339 177.149 176.117 -0.511 0.000 1.204 125 I CA 0.126 61.242 61.300 -0.306 0.000 1.485 125 I CB 0.179 38.005 38.000 -0.290 0.000 1.103 125 I HN -0.035 nan 8.210 nan 0.000 0.446 126 E N 2.294 122.066 120.200 -0.714 0.000 2.384 126 E HA -0.058 4.286 4.350 -0.010 0.000 0.266 126 E C -0.065 176.443 176.600 -0.154 0.000 1.012 126 E CA -0.139 55.895 56.400 -0.609 0.000 0.901 126 E CB 0.656 30.118 29.700 -0.397 0.000 0.967 126 E HN 0.073 nan 8.360 nan 0.000 0.435 127 E N 2.738 122.951 120.200 0.022 0.000 2.301 127 E HA 0.105 4.449 4.350 -0.010 0.000 0.275 127 E C -1.245 175.477 176.600 0.204 0.000 1.030 127 E CA -0.395 56.104 56.400 0.165 0.000 0.852 127 E CB 0.923 30.807 29.700 0.306 0.000 1.060 127 E HN 0.376 nan 8.360 nan 0.000 0.401 128 D N 1.729 122.219 120.400 0.150 0.000 2.414 128 D HA 0.262 4.895 4.640 -0.010 0.000 0.242 128 D C -0.817 175.525 176.300 0.069 0.000 1.129 128 D CA 0.295 54.350 54.000 0.092 0.000 0.885 128 D CB 0.916 41.751 40.800 0.057 0.000 1.198 128 D HN 0.434 nan 8.370 nan 0.000 0.437 129 A N 2.599 125.404 122.820 -0.025 0.000 2.923 129 A HA 0.455 4.769 4.320 -0.010 0.000 0.306 129 A C 0.966 178.377 177.584 -0.288 0.000 1.542 129 A CA -0.517 51.290 52.037 -0.383 0.000 1.225 129 A CB -0.283 18.586 19.000 -0.219 0.000 1.147 129 A HN 0.545 nan 8.150 nan 0.000 0.542 130 G N 1.491 110.105 108.800 -0.310 0.000 3.401 130 G HA2 0.376 4.330 3.960 -0.010 0.000 0.251 130 G HA3 0.376 4.330 3.960 -0.010 0.000 0.251 130 G C 0.346 175.024 174.900 -0.370 0.000 0.960 130 G CA -0.253 44.740 45.100 -0.177 0.000 1.900 130 G HN 0.682 nan 8.290 nan 0.000 0.645 131 L N 1.417 122.473 121.223 -0.279 0.000 2.939 131 L HA 0.364 4.698 4.340 -0.010 0.000 0.239 131 L C 1.049 177.841 176.870 -0.130 0.000 1.325 131 L CA -0.239 54.533 54.840 -0.114 0.000 1.170 131 L CB -0.364 41.755 42.059 0.100 0.000 1.538 131 L HN 0.334 nan 8.230 nan 0.000 0.452 132 G N -1.295 107.189 108.800 -0.528 0.000 2.677 132 G HA2 0.216 4.169 3.960 -0.010 0.000 0.291 132 G HA3 0.216 4.169 3.960 -0.010 0.000 0.291 132 G C -0.138 174.275 174.900 -0.811 0.000 1.435 132 G CA -0.437 44.323 45.100 -0.567 0.000 0.826 132 G HN -0.090 nan 8.290 nan 0.000 0.491 133 N N -0.774 117.704 118.700 -0.369 0.000 2.436 133 N HA 0.195 4.929 4.740 -0.010 0.000 0.178 133 N C 1.194 176.706 175.510 0.002 0.000 1.026 133 N CA 1.327 54.261 53.050 -0.193 0.000 0.880 133 N CB 1.117 39.596 38.487 -0.014 0.000 1.061 133 N HN 0.780 nan 8.380 nan 0.000 0.434 134 G N -0.757 108.127 108.800 0.140 0.000 3.218 134 G HA2 0.214 4.167 3.960 -0.010 0.000 0.143 134 G HA3 0.214 4.167 3.960 -0.010 0.000 0.143 134 G C 0.766 175.804 174.900 0.230 0.000 1.220 134 G CA 0.307 45.576 45.100 0.281 0.000 1.382 134 G HN 0.185 nan 8.290 nan 0.000 0.682 135 G N 0.470 109.348 108.800 0.130 0.000 2.446 135 G HA2 -0.097 3.857 3.960 -0.010 0.000 0.217 135 G HA3 -0.097 3.857 3.960 -0.010 0.000 0.217 135 G C 1.887 176.794 174.900 0.011 0.000 1.168 135 G CA 1.485 46.623 45.100 0.064 0.000 0.771 135 G HN 0.730 nan 8.290 nan 0.000 0.551 136 L N 0.637 121.831 121.223 -0.047 0.000 2.017 136 L HA 0.073 4.407 4.340 -0.010 0.000 0.208 136 L C 2.838 179.650 176.870 -0.096 0.000 1.073 136 L CA 2.060 56.775 54.840 -0.209 0.000 0.745 136 L CB -0.573 41.301 42.059 -0.309 0.000 0.894 136 L HN 0.237 nan 8.230 nan 0.000 0.432 137 G N -0.836 107.968 108.800 0.006 0.000 2.408 137 G HA2 -0.247 3.706 3.960 -0.010 0.000 0.217 137 G HA3 -0.247 3.706 3.960 -0.010 0.000 0.217 137 G C 1.693 176.680 174.900 0.145 0.000 1.150 137 G CA 0.292 45.423 45.100 0.052 0.000 0.776 137 G HN 0.187 nan 8.290 nan 0.000 0.542 138 R N 0.076 120.691 120.500 0.193 0.000 2.115 138 R HA 0.126 4.460 4.340 -0.010 0.000 0.226 138 R C 2.408 178.731 176.300 0.039 0.000 1.100 138 R CA 0.598 56.785 56.100 0.145 0.000 0.980 138 R CB -0.901 29.448 30.300 0.080 0.000 0.875 138 R HN 0.406 nan 8.270 nan 0.000 0.445 139 L N 0.563 121.743 121.223 -0.072 0.000 2.017 139 L HA -0.039 4.294 4.340 -0.010 0.000 0.208 139 L C 2.176 178.793 176.870 -0.421 0.000 1.073 139 L CA 2.175 56.833 54.840 -0.303 0.000 0.745 139 L CB -0.783 41.059 42.059 -0.362 0.000 0.894 139 L HN 0.169 nan 8.230 nan 0.000 0.432 140 A N -0.499 122.198 122.820 -0.205 0.000 1.908 140 A HA -0.191 4.123 4.320 -0.010 0.000 0.218 140 A C 2.432 180.085 177.584 0.116 0.000 1.181 140 A CA 1.999 53.990 52.037 -0.078 0.000 0.627 140 A CB -1.180 17.766 19.000 -0.090 0.000 0.818 140 A HN 0.587 nan 8.150 nan 0.000 0.445 141 A N -1.328 121.592 122.820 0.167 0.000 1.898 141 A HA -0.127 4.187 4.320 -0.010 0.000 0.216 141 A C 2.303 179.964 177.584 0.129 0.000 1.181 141 A CA 1.584 53.740 52.037 0.198 0.000 0.620 141 A CB -1.173 17.934 19.000 0.178 0.000 0.819 141 A HN 0.590 nan 8.150 nan 0.000 0.442 142 C N -1.580 117.793 119.300 0.122 0.000 2.440 142 C HA -0.020 4.434 4.460 -0.010 0.000 0.278 142 C C 2.413 177.558 174.990 0.259 0.000 1.295 142 C CA 0.516 59.640 59.018 0.176 0.000 1.738 142 C CB -1.534 26.331 27.740 0.208 0.000 1.987 142 C HN 0.610 nan 8.230 nan 0.000 0.492 143 F N 0.539 120.476 119.950 -0.022 0.000 2.134 143 F HA -0.081 4.440 4.527 -0.011 0.000 0.299 143 F C 2.120 177.862 175.800 -0.097 0.000 1.097 143 F CA 1.096 59.032 58.000 -0.108 0.000 1.264 143 F CB -1.376 37.424 39.000 -0.334 0.000 1.001 143 F HN 0.089 nan 8.300 nan 0.000 0.479 144 L N 0.348 121.646 121.223 0.125 0.000 2.042 144 L HA -0.240 4.093 4.340 -0.010 0.000 0.210 144 L C 2.382 179.264 176.870 0.020 0.000 1.076 144 L CA 1.892 56.762 54.840 0.050 0.000 0.749 144 L CB -1.172 40.923 42.059 0.061 0.000 0.893 144 L HN 0.190 nan 8.230 nan 0.000 0.432 145 D N -1.454 118.967 120.400 0.035 0.000 2.117 145 D HA -0.160 4.474 4.640 -0.010 0.000 0.197 145 D C 1.891 178.206 176.300 0.025 0.000 0.987 145 D CA 1.444 55.450 54.000 0.009 0.000 0.829 145 D CB 0.465 41.266 40.800 0.002 0.000 0.961 145 D HN 0.319 nan 8.370 nan 0.000 0.460 146 S N -0.139 115.594 115.700 0.055 0.000 2.387 146 S HA -0.036 4.427 4.470 -0.010 0.000 0.226 146 S C 2.103 176.715 174.600 0.020 0.000 1.026 146 S CA 0.609 58.834 58.200 0.041 0.000 0.972 146 S CB -0.064 63.169 63.200 0.055 0.000 0.814 146 S HN 0.326 nan 8.310 nan 0.000 0.477 147 M N 1.004 120.609 119.600 0.007 0.000 2.213 147 M HA -0.081 4.393 4.480 -0.010 0.000 0.263 147 M C 2.344 178.644 176.300 -0.000 0.000 1.062 147 M CA 1.275 56.575 55.300 0.000 0.000 1.105 147 M CB -0.440 32.143 32.600 -0.029 0.000 1.385 147 M HN 0.391 nan 8.290 nan 0.000 0.417 148 A N -0.253 122.565 122.820 -0.003 0.000 1.872 148 A HA -0.099 4.215 4.320 -0.010 0.000 0.214 148 A C 2.162 179.760 177.584 0.023 0.000 1.187 148 A CA 1.868 53.906 52.037 0.001 0.000 0.614 148 A CB -1.032 17.952 19.000 -0.026 0.000 0.826 148 A HN 0.383 nan 8.150 nan 0.000 0.442 149 T N 0.380 114.952 114.554 0.031 0.000 2.881 149 T HA -0.009 4.334 4.350 -0.010 0.000 0.270 149 T C 1.304 176.033 174.700 0.048 0.000 1.068 149 T CA 1.064 63.197 62.100 0.055 0.000 1.131 149 T CB -0.268 68.641 68.868 0.069 0.000 0.871 149 T HN 0.313 nan 8.240 nan 0.000 0.479 150 L N 0.467 121.713 121.223 0.039 0.000 2.653 150 L HA 0.292 4.626 4.340 -0.010 0.000 0.231 150 L C 1.498 178.394 176.870 0.044 0.000 1.153 150 L CA -0.171 54.693 54.840 0.040 0.000 0.933 150 L CB -0.420 41.661 42.059 0.037 0.000 1.175 150 L HN 0.375 nan 8.230 nan 0.000 0.473 151 G N 1.514 110.344 108.800 0.050 0.000 2.338 151 G HA2 -0.282 3.671 3.960 -0.010 0.000 0.296 151 G HA3 -0.282 3.671 3.960 -0.010 0.000 0.296 151 G C -0.051 174.883 174.900 0.057 0.000 1.040 151 G CA 0.114 45.258 45.100 0.074 0.000 1.004 151 G HN 0.281 nan 8.290 nan 0.000 0.509 152 L N -0.275 120.954 121.223 0.010 0.000 2.322 152 L HA 0.648 4.982 4.340 -0.010 0.000 0.279 152 L C 1.111 177.849 176.870 -0.220 0.000 1.036 152 L CA -0.614 54.183 54.840 -0.072 0.000 0.807 152 L CB 1.843 43.881 42.059 -0.034 0.000 1.226 152 L HN 0.296 nan 8.230 nan 0.000 0.433 153 A N 3.107 125.652 122.820 -0.459 0.000 2.981 153 A HA 0.564 4.878 4.320 -0.010 0.000 0.280 153 A C 0.260 177.523 177.584 -0.534 0.000 1.743 153 A CA -0.133 51.375 52.037 -0.881 0.000 1.430 153 A CB -0.636 17.737 19.000 -1.044 0.000 1.085 153 A HN 0.682 nan 8.150 nan 0.000 0.597 154 A N 1.591 124.137 122.820 -0.456 0.000 2.350 154 A HA 0.793 5.107 4.320 -0.010 0.000 0.324 154 A C -1.039 176.279 177.584 -0.443 0.000 1.118 154 A CA -0.468 51.351 52.037 -0.362 0.000 0.783 154 A CB 0.800 19.660 19.000 -0.233 0.000 1.236 154 A HN 0.615 nan 8.150 nan 0.000 0.457 155 Y N 0.326 120.593 120.300 -0.055 0.000 2.391 155 Y HA 0.545 5.089 4.550 -0.010 0.000 0.341 155 Y C 0.858 176.848 175.900 0.149 0.000 0.965 155 Y CA -0.542 57.583 58.100 0.041 0.000 1.067 155 Y CB 2.421 40.972 38.460 0.152 0.000 1.199 155 Y HN 0.824 nan 8.280 nan 0.000 0.450 156 G N 2.199 111.078 108.800 0.132 0.000 2.325 156 G HA2 0.443 4.396 3.960 -0.010 0.000 0.298 156 G HA3 0.443 4.396 3.960 -0.010 0.000 0.298 156 G C -1.759 173.176 174.900 0.057 0.000 1.134 156 G CA -0.247 44.969 45.100 0.194 0.000 0.876 156 G HN 0.513 nan 8.290 nan 0.000 0.452 157 Y N 1.088 121.646 120.300 0.429 0.000 2.350 157 Y HA 0.636 5.180 4.550 -0.010 0.000 0.338 157 Y C 0.758 177.002 175.900 0.574 0.000 0.961 157 Y CA 0.187 58.512 58.100 0.376 0.000 1.100 157 Y CB 2.646 41.342 38.460 0.394 0.000 1.179 157 Y HN 0.863 nan 8.280 nan 0.000 0.454 158 G N 2.403 111.570 108.800 0.612 0.000 2.731 158 G HA2 0.579 4.533 3.960 -0.010 0.000 0.309 158 G HA3 0.579 4.533 3.960 -0.010 0.000 0.309 158 G C -1.761 173.412 174.900 0.455 0.000 1.273 158 G CA -0.824 44.658 45.100 0.637 0.000 0.798 158 G HN 0.442 nan 8.290 nan 0.000 0.509 159 I N 0.527 121.248 120.570 0.252 0.000 2.460 159 I HA 0.439 4.602 4.170 -0.010 0.000 0.298 159 I C 0.251 176.268 176.117 -0.166 0.000 0.989 159 I CA -0.739 60.589 61.300 0.047 0.000 1.173 159 I CB 2.118 39.949 38.000 -0.283 0.000 1.338 159 I HN 0.340 nan 8.210 nan 0.000 0.456 160 R N 6.156 126.651 120.500 -0.009 0.000 2.391 160 R HA 0.270 4.604 4.340 -0.010 0.000 0.310 160 R C -1.428 174.912 176.300 0.067 0.000 1.174 160 R CA -0.470 55.658 56.100 0.047 0.000 1.118 160 R CB 0.105 30.411 30.300 0.009 0.000 1.134 160 R HN 0.397 nan 8.270 nan 0.000 0.524 161 Y N 1.973 122.434 120.300 0.268 0.000 2.359 161 Y HA -0.003 4.540 4.550 -0.011 0.000 0.330 161 Y C 1.468 177.549 175.900 0.301 0.000 1.143 161 Y CA -0.234 58.012 58.100 0.243 0.000 1.318 161 Y CB 1.042 39.626 38.460 0.207 0.000 1.234 161 Y HN 0.572 nan 8.280 nan 0.000 0.522 162 E N 1.331 121.703 120.200 0.287 0.000 2.435 162 E HA 0.021 4.365 4.350 -0.010 0.000 0.195 162 E C -0.761 175.746 176.600 -0.154 0.000 1.029 162 E CA 0.538 56.936 56.400 -0.004 0.000 0.865 162 E CB 0.093 29.607 29.700 -0.309 0.000 0.833 162 E HN 0.429 nan 8.360 nan 0.000 0.510 163 F N 1.122 121.304 119.950 0.387 0.000 2.496 163 F HA 0.467 4.988 4.527 -0.011 0.000 0.341 163 F C 0.857 176.741 175.800 0.141 0.000 1.134 163 F CA -1.083 57.084 58.000 0.278 0.000 0.968 163 F CB 2.079 41.172 39.000 0.156 0.000 1.205 163 F HN -0.066 nan 8.300 nan 0.000 0.436 164 G N 2.012 110.920 108.800 0.180 0.000 2.582 164 G HA2 0.325 4.279 3.960 -0.010 0.000 0.232 164 G HA3 0.325 4.279 3.960 -0.010 0.000 0.232 164 G C -0.538 174.316 174.900 -0.076 0.000 1.458 164 G CA -0.665 44.383 45.100 -0.086 0.000 1.062 164 G HN 0.504 nan 8.290 nan 0.000 0.566 165 I N 1.093 121.542 120.570 -0.202 0.000 2.683 165 I HA 0.221 4.385 4.170 -0.010 0.000 0.286 165 I C 0.566 176.581 176.117 -0.170 0.000 1.175 165 I CA -1.120 60.031 61.300 -0.250 0.000 1.429 165 I CB -0.294 37.463 38.000 -0.406 0.000 1.371 165 I HN 0.332 nan 8.210 nan 0.000 0.569 166 F N 6.601 126.557 119.950 0.009 0.000 2.626 166 F HA 0.214 4.735 4.527 -0.010 0.000 0.354 166 F C 0.412 176.257 175.800 0.076 0.000 1.168 166 F CA -0.471 57.556 58.000 0.045 0.000 1.368 166 F CB -0.274 38.738 39.000 0.020 0.000 1.092 166 F HN 0.437 nan 8.300 nan 0.000 0.612 167 N N 2.252 121.155 118.700 0.338 0.000 2.472 167 N HA 0.075 4.809 4.740 -0.010 0.000 0.277 167 N C -0.893 174.877 175.510 0.433 0.000 1.081 167 N CA -0.340 52.871 53.050 0.268 0.000 0.973 167 N CB 1.288 39.912 38.487 0.229 0.000 1.105 167 N HN 0.747 nan 8.380 nan 0.000 0.470 168 Q N 2.349 122.368 119.800 0.366 0.000 2.256 168 Q HA 0.220 4.554 4.340 -0.010 0.000 0.254 168 Q C -0.956 175.223 176.000 0.299 0.000 0.916 168 Q CA -0.284 55.770 55.803 0.418 0.000 0.932 168 Q CB 0.831 29.826 28.738 0.427 0.000 1.207 168 Q HN 0.295 nan 8.270 nan 0.000 0.426 169 K N 4.063 124.613 120.400 0.251 0.000 2.316 169 K HA 0.478 4.792 4.320 -0.010 0.000 0.251 169 K C -0.885 175.824 176.600 0.182 0.000 0.934 169 K CA -0.973 55.438 56.287 0.205 0.000 0.802 169 K CB 1.623 34.219 32.500 0.161 0.000 1.171 169 K HN 0.604 nan 8.250 nan 0.000 0.426 170 I N 2.336 123.010 120.570 0.173 0.000 2.328 170 I HA 0.205 4.369 4.170 -0.010 0.000 0.287 170 I C -0.246 175.941 176.117 0.117 0.000 1.012 170 I CA -0.679 60.698 61.300 0.128 0.000 1.195 170 I CB 0.746 38.814 38.000 0.114 0.000 1.350 170 I HN 0.476 nan 8.210 nan 0.000 0.464 171 C N 4.251 123.630 119.300 0.131 0.000 2.301 171 C HA 0.579 5.033 4.460 -0.010 0.000 0.323 171 C C 1.224 176.324 174.990 0.184 0.000 1.265 171 C CA -0.215 58.883 59.018 0.135 0.000 1.503 171 C CB 0.348 28.160 27.740 0.120 0.000 2.195 171 C HN 1.087 nan 8.230 nan 0.000 0.477 172 G N 2.986 111.864 108.800 0.129 0.000 2.283 172 G HA2 0.074 4.028 3.960 -0.010 0.000 0.280 172 G HA3 0.074 4.028 3.960 -0.010 0.000 0.280 172 G C 1.116 176.034 174.900 0.029 0.000 1.029 172 G CA 1.023 46.200 45.100 0.130 0.000 0.840 172 G HN 2.298 nan 8.290 nan 0.000 0.505 173 G N -2.841 105.931 108.800 -0.047 0.000 2.234 173 G HA2 -0.306 3.648 3.960 -0.010 0.000 0.260 173 G HA3 -0.306 3.648 3.960 -0.010 0.000 0.260 173 G C 0.458 175.154 174.900 -0.340 0.000 0.987 173 G CA 0.672 45.629 45.100 -0.238 0.000 0.625 173 G HN 1.173 nan 8.290 nan 0.000 0.532 174 W N 1.063 122.318 121.300 -0.075 0.000 2.448 174 W HA 0.656 5.310 4.660 -0.010 0.000 0.339 174 W C 0.701 177.173 176.519 -0.078 0.000 1.124 174 W CA -0.688 56.604 57.345 -0.089 0.000 1.262 174 W CB 0.707 30.130 29.460 -0.063 0.000 1.251 174 W HN 0.281 nan 8.180 nan 0.000 0.597 175 Q N 2.718 122.627 119.800 0.182 0.000 2.288 175 Q HA 0.318 4.651 4.340 -0.010 0.000 0.254 175 Q C -0.716 175.336 176.000 0.087 0.000 0.932 175 Q CA -0.091 55.779 55.803 0.112 0.000 0.902 175 Q CB 0.665 29.456 28.738 0.089 0.000 1.203 175 Q HN 0.310 nan 8.270 nan 0.000 0.415 176 M N 3.208 122.854 119.600 0.078 0.000 2.321 176 M HA 0.377 4.851 4.480 -0.010 0.000 0.315 176 M C -1.183 175.114 176.300 -0.005 0.000 1.052 176 M CA -0.616 54.697 55.300 0.021 0.000 0.936 176 M CB 1.702 34.332 32.600 0.051 0.000 1.639 176 M HN 0.658 nan 8.290 nan 0.000 0.433 177 E N 1.985 122.102 120.200 -0.139 0.000 2.231 177 E HA 0.508 4.851 4.350 -0.010 0.000 0.277 177 E C -0.548 176.026 176.600 -0.044 0.000 0.999 177 E CA -0.504 55.763 56.400 -0.221 0.000 0.827 177 E CB 1.608 30.904 29.700 -0.674 0.000 1.101 177 E HN 0.538 nan 8.360 nan 0.000 0.393 178 E N 1.036 121.294 120.200 0.097 0.000 2.343 178 E HA 0.615 4.959 4.350 -0.010 0.000 0.278 178 E C -1.263 175.421 176.600 0.141 0.000 0.910 178 E CA -1.324 55.129 56.400 0.088 0.000 0.757 178 E CB 1.296 31.056 29.700 0.100 0.000 1.218 178 E HN 0.509 nan 8.360 nan 0.000 0.435 179 A N 2.793 125.650 122.820 0.062 0.000 2.584 179 A HA 0.006 4.320 4.320 -0.010 0.000 0.239 179 A C 0.052 177.790 177.584 0.256 0.000 1.043 179 A CA 0.765 52.840 52.037 0.064 0.000 0.756 179 A CB -0.111 18.794 19.000 -0.158 0.000 0.963 179 A HN 0.679 nan 8.150 nan 0.000 0.511 180 D N 1.833 122.461 120.400 0.381 0.000 2.524 180 D HA 0.190 4.824 4.640 -0.010 0.000 0.222 180 D C -0.461 176.184 176.300 0.575 0.000 1.142 180 D CA -0.252 53.988 54.000 0.400 0.000 0.973 180 D CB 0.315 41.283 40.800 0.279 0.000 1.025 180 D HN 0.366 nan 8.370 nan 0.000 0.519 181 D N 3.641 124.337 120.400 0.494 0.000 2.688 181 D HA -0.024 4.609 4.640 -0.010 0.000 0.228 181 D C 1.121 177.556 176.300 0.225 0.000 1.116 181 D CA -0.527 53.663 54.000 0.316 0.000 1.023 181 D CB -0.160 40.817 40.800 0.294 0.000 1.100 181 D HN 0.570 nan 8.370 nan 0.000 0.487 182 W N 1.968 123.302 121.300 0.058 0.000 2.525 182 W HA -0.056 4.598 4.660 -0.010 0.000 0.259 182 W C 0.278 176.846 176.519 0.083 0.000 1.253 182 W CA 0.108 57.508 57.345 0.091 0.000 1.262 182 W CB -0.835 28.686 29.460 0.101 0.000 1.122 182 W HN 0.184 nan 8.180 nan 0.000 0.607 183 L N 0.763 121.623 121.223 -0.605 0.000 2.567 183 L HA 0.161 4.495 4.340 -0.010 0.000 0.225 183 L C 2.754 179.451 176.870 -0.289 0.000 1.119 183 L CA 0.032 54.501 54.840 -0.619 0.000 0.871 183 L CB -0.712 40.873 42.059 -0.791 0.000 1.036 183 L HN -0.121 nan 8.230 nan 0.000 0.459 184 R N 0.989 121.352 120.500 -0.230 0.000 2.191 184 R HA -0.271 4.063 4.340 -0.010 0.000 0.248 184 R C 1.386 177.462 176.300 -0.372 0.000 1.127 184 R CA 2.494 58.394 56.100 -0.333 0.000 0.943 184 R CB -0.364 29.659 30.300 -0.461 0.000 0.891 184 R HN 0.346 nan 8.270 nan 0.000 0.439 185 Y N -0.609 119.717 120.300 0.044 0.000 2.468 185 Y HA 0.344 4.888 4.550 -0.010 0.000 0.268 185 Y C 0.807 176.739 175.900 0.055 0.000 1.177 185 Y CA 0.167 58.316 58.100 0.081 0.000 1.265 185 Y CB 0.867 39.467 38.460 0.234 0.000 1.103 185 Y HN 0.484 nan 8.280 nan 0.000 0.522 186 G N 1.395 110.253 108.800 0.096 0.000 2.663 186 G HA2 -0.220 3.734 3.960 -0.010 0.000 0.686 186 G HA3 -0.220 3.734 3.960 -0.010 0.000 0.686 186 G C -1.358 173.623 174.900 0.134 0.000 1.246 186 G CA -0.936 44.185 45.100 0.035 0.000 0.795 186 G HN 0.238 nan 8.290 nan 0.000 0.627 187 N N 1.429 120.146 118.700 0.030 0.000 2.524 187 N HA 0.578 5.312 4.740 -0.010 0.000 0.261 187 N C -0.675 174.841 175.510 0.009 0.000 0.998 187 N CA -2.072 51.014 53.050 0.061 0.000 0.915 187 N CB 1.985 40.441 38.487 -0.053 0.000 1.187 187 N HN 0.240 nan 8.380 nan 0.000 0.507 188 P HA 0.022 nan 4.420 nan 0.000 0.230 188 P C 0.515 177.467 177.300 -0.581 0.000 1.158 188 P CA 0.743 63.532 63.100 -0.518 0.000 0.769 188 P CB 0.090 31.232 31.700 -0.930 0.000 0.807 189 W N 1.615 122.940 121.300 0.043 0.000 2.704 189 W HA 0.091 4.745 4.660 -0.010 0.000 0.266 189 W C 1.344 177.925 176.519 0.103 0.000 1.266 189 W CA -0.351 57.020 57.345 0.043 0.000 1.377 189 W CB -0.185 29.300 29.460 0.042 0.000 1.082 189 W HN -0.016 nan 8.180 nan 0.000 0.608 190 E N 1.901 122.284 120.200 0.306 0.000 2.314 190 E HA 0.400 4.744 4.350 -0.010 0.000 0.262 190 E C -0.617 176.151 176.600 0.279 0.000 1.093 190 E CA -0.708 55.881 56.400 0.315 0.000 0.908 190 E CB 1.456 31.346 29.700 0.316 0.000 1.091 190 E HN -0.229 nan 8.360 nan 0.000 0.425 191 K N 0.912 121.481 120.400 0.282 0.000 2.615 191 K HA 0.438 4.752 4.320 -0.010 0.000 0.249 191 K C -1.474 175.116 176.600 -0.017 0.000 0.977 191 K CA -0.324 56.049 56.287 0.143 0.000 0.833 191 K CB 1.763 34.341 32.500 0.130 0.000 1.208 191 K HN 0.686 nan 8.250 nan 0.000 0.443 192 A N 4.292 126.980 122.820 -0.219 0.000 2.462 192 A HA 0.380 4.694 4.320 -0.010 0.000 0.243 192 A C -0.423 176.967 177.584 -0.324 0.000 1.076 192 A CA -0.135 51.520 52.037 -0.637 0.000 0.773 192 A CB 0.209 18.784 19.000 -0.707 0.000 1.010 192 A HN 0.739 nan 8.150 nan 0.000 0.493 193 R N 3.571 123.896 120.500 -0.291 0.000 2.494 193 R HA 0.221 4.555 4.340 -0.010 0.000 0.284 193 R C -2.621 173.609 176.300 -0.116 0.000 1.525 193 R CA -1.423 54.593 56.100 -0.139 0.000 1.460 193 R CB 1.301 31.609 30.300 0.013 0.000 1.134 193 R HN 0.559 nan 8.270 nan 0.000 0.592 194 P HA -0.051 nan 4.420 nan 0.000 0.252 194 P C 0.098 177.338 177.300 -0.099 0.000 1.265 194 P CA 0.686 63.732 63.100 -0.089 0.000 0.775 194 P CB 0.319 31.964 31.700 -0.090 0.000 1.128 195 E N -1.047 119.029 120.200 -0.207 0.000 2.364 195 E HA 0.076 4.419 4.350 -0.010 0.000 0.196 195 E C 0.786 177.186 176.600 -0.334 0.000 0.990 195 E CA 0.284 56.478 56.400 -0.344 0.000 0.886 195 E CB -0.343 29.006 29.700 -0.584 0.000 0.866 195 E HN 0.284 nan 8.360 nan 0.000 0.493 196 F N 2.090 122.057 119.950 0.029 0.000 2.684 196 F HA 0.227 4.747 4.527 -0.010 0.000 0.298 196 F C 0.394 176.296 175.800 0.170 0.000 1.120 196 F CA -0.575 57.477 58.000 0.087 0.000 1.332 196 F CB 0.817 39.865 39.000 0.079 0.000 0.986 196 F HN -0.227 nan 8.300 nan 0.000 0.524 197 T N 2.764 117.474 114.554 0.259 0.000 2.940 197 T HA 0.235 4.579 4.350 -0.010 0.000 0.309 197 T C -0.262 174.569 174.700 0.218 0.000 1.056 197 T CA 0.352 62.608 62.100 0.261 0.000 1.137 197 T CB 0.827 69.792 68.868 0.161 0.000 0.976 197 T HN -0.127 nan 8.240 nan 0.000 0.547 198 L N 5.087 126.420 121.223 0.183 0.000 2.371 198 L HA 0.613 4.947 4.340 -0.010 0.000 0.262 198 L C -2.315 174.544 176.870 -0.018 0.000 1.006 198 L CA -2.566 52.303 54.840 0.048 0.000 0.818 198 L CB 2.052 44.074 42.059 -0.062 0.000 1.354 198 L HN 0.384 nan 8.230 nan 0.000 0.415 199 P HA 0.443 nan 4.420 nan 0.000 0.292 199 P C -1.273 175.909 177.300 -0.196 0.000 1.283 199 P CA -0.503 62.532 63.100 -0.108 0.000 0.835 199 P CB 1.939 33.571 31.700 -0.112 0.000 1.017 200 V N 4.013 123.795 119.914 -0.219 0.000 2.540 200 V HA 0.334 4.448 4.120 -0.010 0.000 0.302 200 V C 0.179 176.055 176.094 -0.362 0.000 1.035 200 V CA -0.599 61.558 62.300 -0.238 0.000 0.873 200 V CB 1.415 33.163 31.823 -0.125 0.000 0.992 200 V HN 0.609 nan 8.190 nan 0.000 0.428 201 H N 3.837 122.728 119.070 -0.298 0.000 2.502 201 H HA 0.640 5.190 4.556 -0.011 0.000 0.338 201 H C -1.335 173.605 175.328 -0.646 0.000 1.155 201 H CA -0.197 55.573 56.048 -0.464 0.000 1.237 201 H CB 1.971 31.221 29.762 -0.854 0.000 1.534 201 H HN 0.470 nan 8.280 nan 0.000 0.523 202 F N -0.233 119.715 119.950 -0.003 0.000 2.613 202 F HA 0.193 4.714 4.527 -0.011 0.000 0.310 202 F C -0.363 175.512 175.800 0.125 0.000 1.085 202 F CA -0.568 57.445 58.000 0.022 0.000 0.945 202 F CB 1.071 40.019 39.000 -0.088 0.000 1.298 202 F HN 0.570 nan 8.300 nan 0.000 0.455 203 Y N 0.290 120.854 120.300 0.440 0.000 2.896 203 Y HA -0.016 4.528 4.550 -0.010 0.000 0.466 203 Y C 1.391 177.516 175.900 0.375 0.000 1.197 203 Y CA 0.679 58.965 58.100 0.309 0.000 2.513 203 Y CB -1.914 36.652 38.460 0.177 0.000 1.232 203 Y HN 1.333 nan 8.280 nan 0.000 0.632 204 G N 0.762 109.805 108.800 0.406 0.000 2.645 204 G HA2 0.099 4.053 3.960 -0.010 0.000 0.239 204 G HA3 0.099 4.053 3.960 -0.010 0.000 0.239 204 G C -0.495 174.605 174.900 0.333 0.000 1.331 204 G CA 0.952 46.216 45.100 0.273 0.000 0.890 204 G HN 1.361 nan 8.290 nan 0.000 0.572 205 R N -2.583 118.106 120.500 0.315 0.000 2.766 205 R HA 0.718 5.052 4.340 -0.010 0.000 0.270 205 R C -1.524 174.898 176.300 0.203 0.000 1.035 205 R CA -0.830 55.401 56.100 0.218 0.000 0.911 205 R CB 1.250 31.628 30.300 0.129 0.000 1.243 205 R HN 0.971 nan 8.270 nan 0.000 0.460 206 V N 0.969 120.921 119.914 0.062 0.000 2.384 206 V HA 0.357 4.471 4.120 -0.010 0.000 0.287 206 V C -0.311 175.712 176.094 -0.118 0.000 1.020 206 V CA -0.620 61.646 62.300 -0.058 0.000 0.850 206 V CB 1.380 33.087 31.823 -0.193 0.000 0.987 206 V HN 0.673 nan 8.190 nan 0.000 0.436 207 E N 3.298 123.423 120.200 -0.126 0.000 2.156 207 E HA 0.366 4.709 4.350 -0.010 0.000 0.279 207 E C -0.888 175.598 176.600 -0.191 0.000 0.965 207 E CA -0.656 55.692 56.400 -0.088 0.000 0.789 207 E CB 0.854 30.544 29.700 -0.015 0.000 1.098 207 E HN 0.644 nan 8.360 nan 0.000 0.397 208 H N 2.942 122.025 119.070 0.023 0.000 2.741 208 H HA 0.127 4.677 4.556 -0.010 0.000 0.282 208 H C 0.375 175.712 175.328 0.015 0.000 1.122 208 H CA -0.142 55.915 56.048 0.015 0.000 1.293 208 H CB 0.569 30.335 29.762 0.008 0.000 1.415 208 H HN 0.563 nan 8.280 nan 0.000 0.472 209 T N -0.681 113.929 114.554 0.092 0.000 2.888 209 T HA 0.146 4.490 4.350 -0.010 0.000 0.283 209 T C 1.629 176.367 174.700 0.063 0.000 1.013 209 T CA -0.372 61.767 62.100 0.066 0.000 0.938 209 T CB 0.703 69.594 68.868 0.038 0.000 1.298 209 T HN 0.355 nan 8.240 nan 0.000 0.580 210 S N 0.027 115.753 115.700 0.044 0.000 2.370 210 S HA -0.098 4.366 4.470 -0.010 0.000 0.226 210 S C 1.218 175.839 174.600 0.035 0.000 1.033 210 S CA 0.956 59.177 58.200 0.035 0.000 1.011 210 S CB -0.495 62.721 63.200 0.027 0.000 0.852 210 S HN 0.671 nan 8.310 nan 0.000 0.457 211 Q N 0.814 120.635 119.800 0.035 0.000 2.628 211 Q HA 0.572 4.906 4.340 -0.010 0.000 0.397 211 Q C 0.035 176.056 176.000 0.036 0.000 0.916 211 Q CA 0.266 56.088 55.803 0.033 0.000 1.071 211 Q CB 0.591 29.344 28.738 0.026 0.000 1.367 211 Q HN 0.594 nan 8.270 nan 0.000 0.404 212 G N -0.387 108.443 108.800 0.051 0.000 2.440 212 G HA2 0.287 4.241 3.960 -0.010 0.000 0.684 212 G HA3 0.287 4.241 3.960 -0.010 0.000 0.684 212 G C -1.103 173.826 174.900 0.048 0.000 1.309 212 G CA -0.598 44.533 45.100 0.053 0.000 0.931 212 G HN 0.455 nan 8.290 nan 0.000 0.612 213 A N 0.224 123.061 122.820 0.027 0.000 2.286 213 A HA 0.848 5.162 4.320 -0.010 0.000 0.286 213 A C 0.341 177.878 177.584 -0.078 0.000 1.097 213 A CA 0.001 51.984 52.037 -0.091 0.000 0.821 213 A CB 0.948 19.858 19.000 -0.150 0.000 1.076 213 A HN 0.790 nan 8.150 nan 0.000 0.490 214 K N 0.381 120.720 120.400 -0.102 0.000 2.482 214 K HA 0.221 4.535 4.320 -0.010 0.000 0.251 214 K C -1.855 174.774 176.600 0.049 0.000 0.936 214 K CA -0.392 55.883 56.287 -0.019 0.000 0.791 214 K CB 1.922 34.415 32.500 -0.011 0.000 1.213 214 K HN 0.721 nan 8.250 nan 0.000 0.428 215 W N 5.096 126.308 121.300 -0.147 0.000 2.342 215 W HA 0.384 5.038 4.660 -0.011 0.000 0.310 215 W C -1.075 175.371 176.519 -0.121 0.000 1.128 215 W CA -0.656 56.605 57.345 -0.141 0.000 1.322 215 W CB 0.410 29.770 29.460 -0.166 0.000 1.251 215 W HN 0.195 nan 8.180 nan 0.000 0.439 216 V N 6.224 126.223 119.914 0.143 0.000 3.113 216 V HA 0.345 4.459 4.120 -0.010 0.000 0.316 216 V C -0.356 175.713 176.094 -0.042 0.000 1.125 216 V CA -0.583 61.709 62.300 -0.013 0.000 1.026 216 V CB 2.010 33.850 31.823 0.028 0.000 1.080 216 V HN 0.443 nan 8.190 nan 0.000 0.444 217 D N 1.389 121.759 120.400 -0.050 0.000 2.686 217 D HA -0.133 4.500 4.640 -0.010 0.000 0.235 217 D C 0.405 176.662 176.300 -0.072 0.000 1.160 217 D CA 1.337 55.309 54.000 -0.047 0.000 0.645 217 D CB -1.184 39.615 40.800 -0.002 0.000 1.039 217 D HN 0.833 nan 8.370 nan 0.000 0.423 218 T N -3.154 111.313 114.554 -0.145 0.000 2.918 218 T HA 0.409 4.753 4.350 -0.010 0.000 0.283 218 T C 0.205 174.878 174.700 -0.045 0.000 1.001 218 T CA -0.918 61.102 62.100 -0.134 0.000 1.041 218 T CB 2.712 71.328 68.868 -0.419 0.000 1.028 218 T HN 0.186 nan 8.240 nan 0.000 0.511 219 Q N 1.259 121.101 119.800 0.070 0.000 2.257 219 Q HA 0.507 4.841 4.340 -0.010 0.000 0.255 219 Q C -1.399 174.658 176.000 0.095 0.000 0.920 219 Q CA -0.778 55.068 55.803 0.073 0.000 0.927 219 Q CB 1.185 30.039 28.738 0.194 0.000 1.229 219 Q HN 0.629 nan 8.270 nan 0.000 0.433 220 V N 4.345 124.268 119.914 0.016 0.000 2.472 220 V HA 0.465 4.579 4.120 -0.010 0.000 0.290 220 V C -0.342 175.795 176.094 0.071 0.000 1.037 220 V CA -0.599 61.665 62.300 -0.060 0.000 0.908 220 V CB 1.731 33.467 31.823 -0.146 0.000 0.985 220 V HN 0.628 nan 8.190 nan 0.000 0.454 221 V N 5.662 125.650 119.914 0.124 0.000 2.656 221 V HA 0.504 4.618 4.120 -0.010 0.000 0.307 221 V C -0.287 175.920 176.094 0.188 0.000 1.051 221 V CA -0.628 61.792 62.300 0.201 0.000 0.893 221 V CB 2.003 34.026 31.823 0.333 0.000 0.999 221 V HN 0.632 nan 8.190 nan 0.000 0.426 222 L N 3.238 124.576 121.223 0.191 0.000 2.357 222 L HA 0.816 5.149 4.340 -0.010 0.000 0.273 222 L C 0.345 177.416 176.870 0.335 0.000 1.080 222 L CA -0.489 54.466 54.840 0.191 0.000 0.803 222 L CB 1.539 43.690 42.059 0.153 0.000 1.174 222 L HN 0.757 nan 8.230 nan 0.000 0.443 223 A N 4.358 127.339 122.820 0.268 0.000 2.285 223 A HA 0.611 4.925 4.320 -0.010 0.000 0.310 223 A C -0.586 177.313 177.584 0.526 0.000 1.266 223 A CA -0.457 51.797 52.037 0.362 0.000 0.832 223 A CB 1.029 19.857 19.000 -0.286 0.000 1.163 223 A HN 0.779 nan 8.150 nan 0.000 0.499 224 M N 5.803 125.748 119.600 0.575 0.000 2.180 224 M HA 0.485 4.958 4.480 -0.010 0.000 0.350 224 M C -2.588 173.974 176.300 0.437 0.000 1.125 224 M CA -2.067 53.498 55.300 0.442 0.000 1.031 224 M CB 2.058 34.849 32.600 0.318 0.000 1.623 224 M HN 0.361 nan 8.290 nan 0.000 0.451 225 P HA 0.293 nan 4.420 nan 0.000 0.286 225 P C -1.945 175.295 177.300 -0.100 0.000 1.261 225 P CA -0.098 62.863 63.100 -0.232 0.000 0.821 225 P CB 0.637 31.955 31.700 -0.636 0.000 1.013 226 Y N 0.292 120.501 120.300 -0.151 0.000 2.338 226 Y HA 0.316 4.860 4.550 -0.011 0.000 0.333 226 Y C 0.014 175.900 175.900 -0.024 0.000 0.968 226 Y CA -0.353 57.731 58.100 -0.028 0.000 1.123 226 Y CB 1.411 39.890 38.460 0.032 0.000 1.165 226 Y HN 0.213 nan 8.280 nan 0.000 0.452 227 D N 1.999 122.502 120.400 0.172 0.000 2.198 227 D HA 0.419 5.053 4.640 -0.010 0.000 0.245 227 D C -0.573 175.990 176.300 0.437 0.000 1.079 227 D CA -0.118 54.038 54.000 0.261 0.000 0.854 227 D CB 1.685 42.638 40.800 0.255 0.000 1.148 227 D HN 0.366 nan 8.370 nan 0.000 0.456 228 T N 3.281 118.014 114.554 0.299 0.000 2.824 228 T HA 0.455 4.799 4.350 -0.010 0.000 0.282 228 T C -2.546 172.034 174.700 -0.200 0.000 0.993 228 T CA -1.462 60.713 62.100 0.125 0.000 0.967 228 T CB 2.087 71.002 68.868 0.079 0.000 0.960 228 T HN 0.174 nan 8.240 nan 0.000 0.441 229 P HA 0.301 nan 4.420 nan 0.000 0.275 229 P C -0.967 175.994 177.300 -0.565 0.000 1.227 229 P CA -0.368 62.027 63.100 -1.176 0.000 0.781 229 P CB 0.840 31.622 31.700 -1.530 0.000 0.906 230 V N 5.480 125.121 119.914 -0.456 0.000 2.289 230 V HA 0.251 4.364 4.120 -0.010 0.000 0.272 230 V C -2.054 173.898 176.094 -0.237 0.000 1.026 230 V CA -1.891 60.244 62.300 -0.275 0.000 0.807 230 V CB 1.340 33.053 31.823 -0.183 0.000 1.044 230 V HN 0.547 nan 8.190 nan 0.000 0.443 231 P HA 0.259 nan 4.420 nan 0.000 0.281 231 P C 0.397 177.643 177.300 -0.089 0.000 1.252 231 P CA 0.320 63.324 63.100 -0.159 0.000 0.778 231 P CB 1.609 33.213 31.700 -0.160 0.000 0.895 232 G N 2.383 111.150 108.800 -0.056 0.000 2.599 232 G HA2 0.120 4.074 3.960 -0.010 0.000 0.264 232 G HA3 0.120 4.074 3.960 -0.010 0.000 0.264 232 G C -1.162 173.753 174.900 0.024 0.000 1.200 232 G CA -0.561 44.537 45.100 -0.004 0.000 0.896 232 G HN 0.530 nan 8.290 nan 0.000 0.536 233 Y N 0.504 120.767 120.300 -0.063 0.000 2.624 233 Y HA 0.294 4.838 4.550 -0.011 0.000 0.354 233 Y C 1.238 177.102 175.900 -0.060 0.000 1.051 233 Y CA -0.280 57.779 58.100 -0.069 0.000 1.377 233 Y CB 0.123 38.541 38.460 -0.071 0.000 1.168 233 Y HN 0.721 nan 8.280 nan 0.000 0.525 234 R N 2.724 122.919 120.500 -0.507 0.000 3.741 234 R HA -0.319 4.015 4.340 -0.010 0.000 0.292 234 R C 0.011 176.175 176.300 -0.228 0.000 1.176 234 R CA 1.527 57.354 56.100 -0.454 0.000 0.794 234 R CB -1.944 27.912 30.300 -0.741 0.000 1.213 234 R HN 0.950 nan 8.270 nan 0.000 0.494 235 N N -1.281 117.339 118.700 -0.133 0.000 2.177 235 N HA 0.079 4.813 4.740 -0.010 0.000 0.218 235 N C -0.243 175.228 175.510 -0.066 0.000 1.182 235 N CA -0.366 52.638 53.050 -0.076 0.000 0.882 235 N CB 0.524 38.992 38.487 -0.031 0.000 1.052 235 N HN 0.083 nan 8.380 nan 0.000 0.519 236 N N -0.205 118.450 118.700 -0.075 0.000 2.741 236 N HA -0.131 4.603 4.740 -0.010 0.000 0.251 236 N C -1.132 174.345 175.510 -0.055 0.000 1.112 236 N CA 0.550 53.564 53.050 -0.060 0.000 0.750 236 N CB -1.290 37.163 38.487 -0.058 0.000 1.119 236 N HN 0.199 nan 8.380 nan 0.000 0.561 237 V N 0.945 120.830 119.914 -0.049 0.000 2.483 237 V HA 0.560 4.673 4.120 -0.010 0.000 0.295 237 V C 0.416 176.481 176.094 -0.048 0.000 1.035 237 V CA -0.592 61.687 62.300 -0.035 0.000 0.896 237 V CB 2.351 34.178 31.823 0.007 0.000 0.986 237 V HN -0.045 nan 8.190 nan 0.000 0.447 238 V N 5.075 124.961 119.914 -0.047 0.000 2.488 238 V HA 0.473 4.586 4.120 -0.010 0.000 0.293 238 V C -0.231 175.831 176.094 -0.052 0.000 1.027 238 V CA -0.842 61.388 62.300 -0.116 0.000 0.862 238 V CB 1.630 33.350 31.823 -0.172 0.000 1.008 238 V HN 0.837 nan 8.190 nan 0.000 0.428 239 N N 1.852 120.499 118.700 -0.089 0.000 2.538 239 N HA 0.622 5.355 4.740 -0.010 0.000 0.292 239 N C -0.143 175.353 175.510 -0.023 0.000 1.262 239 N CA -0.352 52.678 53.050 -0.034 0.000 0.976 239 N CB 1.366 39.800 38.487 -0.089 0.000 1.161 239 N HN 0.620 nan 8.380 nan 0.000 0.598 240 T N 0.674 115.236 114.554 0.014 0.000 2.841 240 T HA 0.420 4.764 4.350 -0.010 0.000 0.283 240 T C -0.332 174.365 174.700 -0.006 0.000 1.000 240 T CA -0.520 61.668 62.100 0.147 0.000 0.977 240 T CB 1.207 70.300 68.868 0.376 0.000 0.979 240 T HN 0.315 nan 8.240 nan 0.000 0.446 241 M N 3.635 123.200 119.600 -0.058 0.000 2.114 241 M HA 0.508 4.982 4.480 -0.010 0.000 0.332 241 M C -0.515 175.673 176.300 -0.187 0.000 1.014 241 M CA -0.749 54.427 55.300 -0.207 0.000 0.956 241 M CB 0.742 33.172 32.600 -0.283 0.000 1.551 241 M HN 0.495 nan 8.290 nan 0.000 0.427 242 R N 4.763 125.055 120.500 -0.346 0.000 2.229 242 R HA 0.555 4.889 4.340 -0.010 0.000 0.332 242 R C -1.969 174.106 176.300 -0.375 0.000 0.989 242 R CA -0.572 55.283 56.100 -0.408 0.000 0.842 242 R CB 0.882 30.773 30.300 -0.682 0.000 1.119 242 R HN 0.640 nan 8.270 nan 0.000 0.456 243 L N 5.616 126.696 121.223 -0.238 0.000 2.313 243 L HA 0.468 4.802 4.340 -0.010 0.000 0.283 243 L C -1.067 175.768 176.870 -0.058 0.000 1.013 243 L CA -0.589 54.203 54.840 -0.081 0.000 0.816 243 L CB 1.172 43.255 42.059 0.040 0.000 1.236 243 L HN 0.627 nan 8.230 nan 0.000 0.419 244 W N 2.297 123.729 121.300 0.219 0.000 2.365 244 W HA 0.600 5.254 4.660 -0.010 0.000 0.316 244 W C 0.567 177.312 176.519 0.375 0.000 1.164 244 W CA -0.247 57.258 57.345 0.266 0.000 1.204 244 W CB 1.360 30.864 29.460 0.074 0.000 1.213 244 W HN 0.403 nan 8.180 nan 0.000 0.539 245 S N 1.580 117.686 115.700 0.677 0.000 2.482 245 S HA 0.760 5.223 4.470 -0.010 0.000 0.303 245 S C -0.416 174.529 174.600 0.574 0.000 1.091 245 S CA -0.712 57.783 58.200 0.491 0.000 1.057 245 S CB 0.645 64.078 63.200 0.388 0.000 1.031 245 S HN 0.506 nan 8.310 nan 0.000 0.485 246 A N 4.599 127.597 122.820 0.296 0.000 2.328 246 A HA 0.657 4.971 4.320 -0.010 0.000 0.284 246 A C -0.113 177.571 177.584 0.167 0.000 1.160 246 A CA -0.273 51.853 52.037 0.150 0.000 0.818 246 A CB 0.393 19.217 19.000 -0.293 0.000 1.087 246 A HN 0.618 nan 8.150 nan 0.000 0.504 247 K N 1.057 121.577 120.400 0.200 0.000 2.427 247 K HA 0.622 4.935 4.320 -0.010 0.000 0.252 247 K C -0.623 176.052 176.600 0.125 0.000 0.931 247 K CA -0.419 55.959 56.287 0.153 0.000 0.793 247 K CB 2.242 34.847 32.500 0.174 0.000 1.211 247 K HN 0.839 nan 8.250 nan 0.000 0.426 248 A N 4.253 127.128 122.820 0.092 0.000 2.327 248 A HA 0.529 4.843 4.320 -0.010 0.000 0.283 248 A C -2.205 175.429 177.584 0.084 0.000 1.127 248 A CA -1.205 50.881 52.037 0.082 0.000 0.810 248 A CB -0.070 18.966 19.000 0.061 0.000 1.066 248 A HN 0.349 nan 8.150 nan 0.000 0.492 249 P HA 0.151 nan 4.420 nan 0.000 0.274 249 P C -0.260 177.087 177.300 0.079 0.000 1.231 249 P CA -0.271 62.881 63.100 0.086 0.000 0.790 249 P CB 0.551 32.312 31.700 0.101 0.000 0.951 250 N N 0.189 118.927 118.700 0.063 0.000 2.463 250 N HA -0.092 4.642 4.740 -0.010 0.000 0.181 250 N C 1.124 176.663 175.510 0.049 0.000 1.078 250 N CA 0.167 53.248 53.050 0.053 0.000 0.902 250 N CB -0.068 38.445 38.487 0.043 0.000 0.970 250 N HN 0.591 nan 8.380 nan 0.000 0.451 251 D N 1.076 121.504 120.400 0.046 0.000 2.099 251 D HA -0.124 4.510 4.640 -0.010 0.000 0.278 251 D C 1.422 177.754 176.300 0.053 0.000 1.140 251 D CA 0.334 54.335 54.000 0.003 0.000 0.894 251 D CB -0.951 39.814 40.800 -0.057 0.000 0.945 251 D HN 0.074 nan 8.370 nan 0.000 0.338 252 F N 0.647 120.617 119.950 0.033 0.000 2.167 252 F HA -0.250 4.271 4.527 -0.011 0.000 0.301 252 F C 1.582 177.408 175.800 0.043 0.000 1.066 252 F CA 1.371 59.397 58.000 0.043 0.000 1.285 252 F CB -0.441 38.584 39.000 0.042 0.000 1.032 252 F HN 0.081 nan 8.300 nan 0.000 0.495 253 N N 0.527 119.364 118.700 0.228 0.000 2.878 253 N HA 0.060 4.794 4.740 -0.010 0.000 0.282 253 N C 0.611 176.179 175.510 0.096 0.000 1.284 253 N CA 0.078 53.209 53.050 0.135 0.000 1.053 253 N CB 0.066 38.610 38.487 0.095 0.000 1.382 253 N HN 0.132 nan 8.380 nan 0.000 0.529 254 L N -0.916 120.380 121.223 0.121 0.000 1.839 254 L HA -0.095 4.239 4.340 -0.010 0.000 0.210 254 L C 1.335 178.275 176.870 0.117 0.000 1.249 254 L CA 0.824 55.722 54.840 0.097 0.000 1.364 254 L CB -0.938 41.166 42.059 0.076 0.000 2.621 254 L HN 0.228 nan 8.230 nan 0.000 0.494 255 K N 0.292 120.741 120.400 0.081 0.000 2.296 255 K HA -0.041 4.272 4.320 -0.010 0.000 0.200 255 K C 0.501 177.161 176.600 0.100 0.000 1.048 255 K CA 1.045 57.328 56.287 -0.007 0.000 0.966 255 K CB -0.041 32.325 32.500 -0.224 0.000 0.754 255 K HN 0.142 nan 8.250 nan 0.000 0.466 256 D N 2.214 122.795 120.400 0.301 0.000 2.429 256 D HA -0.029 4.605 4.640 -0.010 0.000 0.253 256 D C -0.151 176.383 176.300 0.389 0.000 1.294 256 D CA -0.101 54.172 54.000 0.455 0.000 1.063 256 D CB -0.172 40.900 40.800 0.455 0.000 1.096 256 D HN 0.191 nan 8.370 nan 0.000 0.516 257 F N 1.195 121.195 119.950 0.083 0.000 2.331 257 F HA 0.286 4.807 4.527 -0.011 0.000 0.293 257 F C 0.608 176.441 175.800 0.055 0.000 1.277 257 F CA -1.911 56.124 58.000 0.059 0.000 1.204 257 F CB -0.365 38.656 39.000 0.035 0.000 1.374 257 F HN 0.339 nan 8.300 nan 0.000 0.520 258 N N -0.581 118.005 118.700 -0.191 0.000 3.251 258 N HA 0.065 4.799 4.740 -0.010 0.000 0.258 258 N C -1.621 173.829 175.510 -0.099 0.000 1.076 258 N CA 0.478 53.353 53.050 -0.292 0.000 0.671 258 N CB -0.928 37.254 38.487 -0.508 0.000 1.089 258 N HN 0.837 nan 8.380 nan 0.000 0.583 259 V N -1.613 118.290 119.914 -0.018 0.000 3.648 259 V HA -0.039 4.075 4.120 -0.010 0.000 0.521 259 V C 1.388 177.493 176.094 0.018 0.000 0.682 259 V CA 1.589 63.894 62.300 0.007 0.000 2.077 259 V CB -0.901 30.915 31.823 -0.011 0.000 2.491 259 V HN 1.035 nan 8.190 nan 0.000 0.514 260 G N 0.612 109.430 108.800 0.030 0.000 3.611 260 G HA2 0.651 4.604 3.960 -0.010 0.000 0.217 260 G HA3 0.651 4.604 3.960 -0.010 0.000 0.217 260 G C 0.996 175.918 174.900 0.036 0.000 1.023 260 G CA 1.149 46.266 45.100 0.028 0.000 0.887 260 G HN 3.083 nan 8.290 nan 0.000 0.420 261 G N -1.072 107.764 108.800 0.060 0.000 3.014 261 G HA2 0.277 4.231 3.960 -0.010 0.000 0.683 261 G HA3 0.277 4.231 3.960 -0.010 0.000 0.683 261 G C -0.100 174.857 174.900 0.095 0.000 1.271 261 G CA 0.221 45.367 45.100 0.076 0.000 0.843 261 G HN 1.485 nan 8.290 nan 0.000 0.612 262 Y N 3.323 123.641 120.300 0.029 0.000 2.220 262 Y HA 0.042 4.586 4.550 -0.010 0.000 0.291 262 Y C 2.469 178.386 175.900 0.027 0.000 1.129 262 Y CA 2.069 60.187 58.100 0.031 0.000 1.161 262 Y CB 0.015 38.491 38.460 0.027 0.000 0.997 262 Y HN 0.483 nan 8.280 nan 0.000 0.522 263 I N 0.622 121.135 120.570 -0.094 0.000 2.179 263 I HA -0.287 3.876 4.170 -0.010 0.000 0.242 263 I C 2.384 178.402 176.117 -0.165 0.000 1.088 263 I CA 1.417 62.615 61.300 -0.170 0.000 1.357 263 I CB -1.360 36.647 38.000 0.012 0.000 1.051 263 I HN 0.359 nan 8.210 nan 0.000 0.409 264 Q N 0.639 120.391 119.800 -0.079 0.000 2.096 264 Q HA -0.154 4.180 4.340 -0.010 0.000 0.204 264 Q C 2.360 178.314 176.000 -0.075 0.000 0.982 264 Q CA 2.049 57.819 55.803 -0.056 0.000 0.850 264 Q CB -0.400 28.327 28.738 -0.019 0.000 0.901 264 Q HN 0.541 nan 8.270 nan 0.000 0.422 265 A N -0.232 122.532 122.820 -0.094 0.000 1.940 265 A HA -0.142 4.172 4.320 -0.010 0.000 0.219 265 A C 2.390 179.905 177.584 -0.115 0.000 1.176 265 A CA 1.711 53.701 52.037 -0.078 0.000 0.631 265 A CB -0.597 18.372 19.000 -0.052 0.000 0.814 265 A HN 0.241 nan 8.150 nan 0.000 0.446 266 V N -0.041 119.739 119.914 -0.224 0.000 2.379 266 V HA -0.189 3.925 4.120 -0.010 0.000 0.245 266 V C 2.500 178.532 176.094 -0.104 0.000 1.044 266 V CA 1.682 63.865 62.300 -0.196 0.000 1.036 266 V CB -0.641 30.989 31.823 -0.321 0.000 0.664 266 V HN 0.564 nan 8.190 nan 0.000 0.453 267 L N -0.265 120.901 121.223 -0.095 0.000 2.141 267 L HA -0.141 4.192 4.340 -0.010 0.000 0.209 267 L C 1.994 178.846 176.870 -0.030 0.000 1.094 267 L CA 1.252 56.062 54.840 -0.050 0.000 0.763 267 L CB -0.634 41.400 42.059 -0.041 0.000 0.908 267 L HN 0.319 nan 8.230 nan 0.000 0.437 268 D N 0.010 120.390 120.400 -0.033 0.000 2.378 268 D HA -0.081 4.553 4.640 -0.010 0.000 0.227 268 D C 2.106 178.402 176.300 -0.008 0.000 1.012 268 D CA 0.484 54.473 54.000 -0.017 0.000 0.905 268 D CB 0.024 40.814 40.800 -0.016 0.000 0.895 268 D HN 0.218 nan 8.370 nan 0.000 0.532 269 R N 0.295 120.790 120.500 -0.008 0.000 2.148 269 R HA 0.018 4.352 4.340 -0.010 0.000 0.227 269 R C 0.335 176.642 176.300 0.011 0.000 1.103 269 R CA 0.466 56.571 56.100 0.007 0.000 0.983 269 R CB -0.016 30.288 30.300 0.008 0.000 0.874 269 R HN 0.053 nan 8.270 nan 0.000 0.451 270 N N 1.052 119.757 118.700 0.008 0.000 3.050 270 N HA 0.027 4.761 4.740 -0.010 0.000 0.289 270 N C 0.041 175.555 175.510 0.008 0.000 1.209 270 N CA 0.453 53.512 53.050 0.015 0.000 1.154 270 N CB 1.121 39.619 38.487 0.019 0.000 1.444 270 N HN 0.116 nan 8.380 nan 0.000 0.529 271 L N -0.472 120.751 121.223 0.001 0.000 2.726 271 L HA 0.210 4.544 4.340 -0.010 0.000 0.287 271 L C 1.609 178.464 176.870 -0.026 0.000 1.047 271 L CA 0.447 55.282 54.840 -0.008 0.000 1.304 271 L CB -0.278 41.777 42.059 -0.008 0.000 2.440 271 L HN 0.243 nan 8.230 nan 0.000 0.569 272 A N -0.750 122.057 122.820 -0.020 0.000 2.044 272 A HA 0.094 4.407 4.320 -0.010 0.000 0.213 272 A C 1.698 179.247 177.584 -0.057 0.000 1.169 272 A CA 0.891 52.904 52.037 -0.041 0.000 0.724 272 A CB -0.127 18.877 19.000 0.007 0.000 0.840 272 A HN 0.414 nan 8.150 nan 0.000 0.463 273 E N 0.160 120.347 120.200 -0.021 0.000 2.478 273 E HA -0.026 4.318 4.350 -0.010 0.000 0.194 273 E C 0.813 177.405 176.600 -0.013 0.000 1.045 273 E CA -0.074 56.319 56.400 -0.012 0.000 0.868 273 E CB -0.029 29.689 29.700 0.028 0.000 0.885 273 E HN 0.390 nan 8.360 nan 0.000 0.505 274 N N 0.965 119.657 118.700 -0.013 0.000 2.520 274 N HA -0.049 4.685 4.740 -0.010 0.000 0.185 274 N C 1.525 177.038 175.510 0.006 0.000 1.068 274 N CA 0.518 53.579 53.050 0.018 0.000 0.911 274 N CB 0.049 38.545 38.487 0.015 0.000 0.961 274 N HN 0.254 nan 8.380 nan 0.000 0.446 275 I N 0.160 120.676 120.570 -0.089 0.000 2.264 275 I HA -0.231 3.933 4.170 -0.010 0.000 0.248 275 I C 1.295 177.375 176.117 -0.062 0.000 1.111 275 I CA 1.178 62.390 61.300 -0.148 0.000 1.382 275 I CB -0.111 37.637 38.000 -0.420 0.000 1.060 275 I HN 0.125 nan 8.210 nan 0.000 0.418 276 S N -0.616 115.049 115.700 -0.059 0.000 2.574 276 S HA 0.200 4.664 4.470 -0.010 0.000 0.242 276 S C 1.380 176.116 174.600 0.225 0.000 0.982 276 S CA -0.606 57.645 58.200 0.085 0.000 0.977 276 S CB 0.304 63.529 63.200 0.042 0.000 0.814 276 S HN 0.205 nan 8.310 nan 0.000 0.464 277 R N 1.132 121.769 120.500 0.228 0.000 2.062 277 R HA 0.299 4.633 4.340 -0.010 0.000 0.226 277 R C 0.455 177.006 176.300 0.419 0.000 1.125 277 R CA 1.191 57.467 56.100 0.294 0.000 0.966 277 R CB -0.198 30.242 30.300 0.234 0.000 0.861 277 R HN 0.405 nan 8.270 nan 0.000 0.433 278 V N 0.239 120.350 119.914 0.327 0.000 2.971 278 V HA 0.402 4.516 4.120 -0.010 0.000 0.309 278 V C -1.567 174.469 176.094 -0.098 0.000 1.130 278 V CA -1.369 61.044 62.300 0.188 0.000 0.964 278 V CB 1.833 33.696 31.823 0.066 0.000 1.029 278 V HN 0.176 nan 8.190 nan 0.000 0.427 279 L N 5.845 126.794 121.223 -0.456 0.000 2.349 279 L HA 0.521 4.855 4.340 -0.010 0.000 0.275 279 L C -0.960 175.735 176.870 -0.291 0.000 1.115 279 L CA 0.308 54.687 54.840 -0.768 0.000 0.820 279 L CB 0.791 42.317 42.059 -0.889 0.000 1.135 279 L HN 0.692 nan 8.230 nan 0.000 0.445 280 Y N 6.468 126.674 120.300 -0.156 0.000 2.496 280 Y HA 0.225 4.769 4.550 -0.011 0.000 0.334 280 Y C -1.395 174.495 175.900 -0.016 0.000 1.080 280 Y CA -1.372 56.711 58.100 -0.028 0.000 1.355 280 Y CB 0.428 38.898 38.460 0.017 0.000 1.193 280 Y HN 0.571 nan 8.280 nan 0.000 0.523 281 P HA -0.017 nan 4.420 nan 0.000 0.259 281 P C -0.828 176.588 177.300 0.193 0.000 1.480 281 P CA 0.239 63.427 63.100 0.148 0.000 0.842 281 P CB 0.025 31.900 31.700 0.291 0.000 1.513 282 N N 1.345 120.176 118.700 0.219 0.000 2.434 282 N HA 0.148 4.881 4.740 -0.010 0.000 0.272 282 N C -0.596 175.065 175.510 0.251 0.000 1.040 282 N CA 0.145 53.349 53.050 0.255 0.000 0.956 282 N CB 0.841 39.523 38.487 0.325 0.000 1.108 282 N HN 0.061 nan 8.380 nan 0.000 0.481 283 D N 1.136 121.715 120.400 0.298 0.000 2.349 283 D HA 0.222 4.856 4.640 -0.010 0.000 0.232 283 D C -0.316 176.287 176.300 0.504 0.000 1.071 283 D CA -0.339 53.870 54.000 0.348 0.000 0.832 283 D CB 0.250 41.261 40.800 0.351 0.000 1.086 283 D HN 0.297 nan 8.370 nan 0.000 0.504 284 N N 3.008 121.920 118.700 0.354 0.000 2.725 284 N HA -0.250 4.484 4.740 -0.010 0.000 0.251 284 N C -1.385 174.359 175.510 0.389 0.000 1.031 284 N CA 0.747 53.969 53.050 0.287 0.000 0.720 284 N CB -0.839 37.736 38.487 0.146 0.000 0.930 284 N HN 0.397 nan 8.380 nan 0.000 0.543 285 F N 0.510 120.569 119.950 0.182 0.000 2.622 285 F HA 0.434 4.955 4.527 -0.011 0.000 0.318 285 F C -1.401 174.485 175.800 0.143 0.000 1.135 285 F CA -1.067 57.013 58.000 0.133 0.000 1.015 285 F CB 0.966 40.011 39.000 0.075 0.000 1.275 285 F HN -0.027 nan 8.300 nan 0.000 0.457 286 F N 5.745 125.223 119.950 -0.786 0.000 2.415 286 F HA 0.535 5.056 4.527 -0.011 0.000 0.348 286 F C -0.562 174.867 175.800 -0.619 0.000 1.119 286 F CA -0.113 57.543 58.000 -0.573 0.000 1.069 286 F CB 0.875 39.569 39.000 -0.509 0.000 1.124 286 F HN 0.496 nan 8.300 nan 0.000 0.472 287 E N 3.973 123.565 120.200 -1.012 0.000 2.182 287 E HA 0.242 4.585 4.350 -0.010 0.000 0.258 287 E C -0.316 175.544 176.600 -1.234 0.000 0.879 287 E CA -0.682 55.225 56.400 -0.821 0.000 0.754 287 E CB 1.581 31.161 29.700 -0.199 0.000 1.162 287 E HN 0.933 nan 8.360 nan 0.000 0.419 288 G N 4.559 112.560 108.800 -1.332 0.000 3.213 288 G HA2 0.036 3.989 3.960 -0.010 0.000 0.263 288 G HA3 0.036 3.989 3.960 -0.010 0.000 0.263 288 G C 0.066 174.921 174.900 -0.076 0.000 0.829 288 G CA -0.206 44.342 45.100 -0.921 0.000 1.983 288 G HN 0.116 nan 8.290 nan 0.000 0.616 289 K N 0.540 120.953 120.400 0.022 0.000 2.130 289 K HA 0.216 4.529 4.320 -0.010 0.000 0.268 289 K C 0.953 177.687 176.600 0.222 0.000 0.983 289 K CA -0.805 55.562 56.287 0.133 0.000 0.893 289 K CB 2.239 34.816 32.500 0.128 0.000 1.066 289 K HN 0.421 nan 8.250 nan 0.000 0.450 290 E N 1.423 121.716 120.200 0.155 0.000 2.118 290 E HA -0.207 4.137 4.350 -0.010 0.000 0.195 290 E C 1.459 178.081 176.600 0.037 0.000 0.992 290 E CA 0.957 57.397 56.400 0.068 0.000 0.804 290 E CB 0.172 29.916 29.700 0.074 0.000 0.741 290 E HN 0.385 nan 8.360 nan 0.000 0.458 291 L N 1.316 122.607 121.223 0.112 0.000 2.079 291 L HA -0.176 4.158 4.340 -0.010 0.000 0.210 291 L C 2.350 179.315 176.870 0.158 0.000 1.081 291 L CA 1.582 56.510 54.840 0.148 0.000 0.752 291 L CB -0.516 41.702 42.059 0.266 0.000 0.896 291 L HN 0.012 nan 8.230 nan 0.000 0.433 292 R N -0.512 120.024 120.500 0.060 0.000 2.066 292 R HA -0.107 4.226 4.340 -0.010 0.000 0.232 292 R C 2.204 178.534 176.300 0.050 0.000 1.131 292 R CA 1.680 57.742 56.100 -0.064 0.000 0.955 292 R CB -1.271 28.865 30.300 -0.273 0.000 0.851 292 R HN 0.413 nan 8.270 nan 0.000 0.432 293 L N 1.457 122.606 121.223 -0.124 0.000 2.042 293 L HA -0.142 4.192 4.340 -0.010 0.000 0.210 293 L C 1.930 178.735 176.870 -0.109 0.000 1.076 293 L CA 1.928 56.493 54.840 -0.458 0.000 0.749 293 L CB -0.438 41.056 42.059 -0.941 0.000 0.893 293 L HN 0.076 nan 8.230 nan 0.000 0.432 294 K N -1.045 119.344 120.400 -0.018 0.000 2.057 294 K HA -0.203 4.111 4.320 -0.010 0.000 0.207 294 K C 2.093 178.851 176.600 0.262 0.000 1.049 294 K CA 1.843 58.200 56.287 0.117 0.000 0.931 294 K CB -0.177 32.236 32.500 -0.144 0.000 0.714 294 K HN 0.509 nan 8.250 nan 0.000 0.440 295 Q N 0.470 120.391 119.800 0.201 0.000 2.084 295 Q HA -0.185 4.148 4.340 -0.010 0.000 0.202 295 Q C 1.936 178.130 176.000 0.323 0.000 0.978 295 Q CA 1.385 57.362 55.803 0.290 0.000 0.844 295 Q CB -0.002 28.929 28.738 0.322 0.000 0.898 295 Q HN 0.379 nan 8.270 nan 0.000 0.426 296 E N -0.153 120.188 120.200 0.235 0.000 2.051 296 E HA -0.212 4.132 4.350 -0.010 0.000 0.192 296 E C 1.732 178.434 176.600 0.170 0.000 0.991 296 E CA 1.067 57.585 56.400 0.198 0.000 0.799 296 E CB -0.127 29.665 29.700 0.153 0.000 0.748 296 E HN 0.315 nan 8.360 nan 0.000 0.449 297 Y N 0.406 120.741 120.300 0.058 0.000 2.200 297 Y HA -0.217 4.327 4.550 -0.010 0.000 0.290 297 Y C 1.968 177.888 175.900 0.034 0.000 1.137 297 Y CA 1.129 59.214 58.100 -0.026 0.000 1.163 297 Y CB -0.458 37.951 38.460 -0.085 0.000 0.988 297 Y HN 0.030 nan 8.280 nan 0.000 0.518 298 F N -0.231 119.700 119.950 -0.032 0.000 2.065 298 F HA -0.262 4.258 4.527 -0.011 0.000 0.298 298 F C 2.482 178.124 175.800 -0.264 0.000 1.112 298 F CA 2.128 60.070 58.000 -0.096 0.000 1.212 298 F CB -1.050 38.052 39.000 0.169 0.000 0.975 298 F HN -0.053 nan 8.300 nan 0.000 0.476 299 V N -0.489 119.363 119.914 -0.103 0.000 2.515 299 V HA -0.175 3.939 4.120 -0.010 0.000 0.250 299 V C 2.128 178.026 176.094 -0.328 0.000 1.058 299 V CA 1.819 63.994 62.300 -0.208 0.000 1.064 299 V CB -0.335 31.589 31.823 0.169 0.000 0.675 299 V HN 0.270 nan 8.190 nan 0.000 0.461 300 V N 0.526 120.270 119.914 -0.284 0.000 2.270 300 V HA -0.157 3.956 4.120 -0.010 0.000 0.245 300 V C 2.848 178.662 176.094 -0.467 0.000 1.043 300 V CA 2.111 64.235 62.300 -0.292 0.000 1.014 300 V CB -1.152 30.561 31.823 -0.183 0.000 0.645 300 V HN 0.634 nan 8.190 nan 0.000 0.447 301 A N -0.038 122.343 122.820 -0.731 0.000 1.883 301 A HA -0.172 4.142 4.320 -0.010 0.000 0.217 301 A C 2.401 179.600 177.584 -0.642 0.000 1.186 301 A CA 2.386 53.984 52.037 -0.731 0.000 0.624 301 A CB -0.887 17.443 19.000 -1.116 0.000 0.822 301 A HN 0.584 nan 8.150 nan 0.000 0.444 302 A N -1.239 121.037 122.820 -0.907 0.000 1.898 302 A HA -0.056 4.258 4.320 -0.010 0.000 0.216 302 A C 2.316 179.355 177.584 -0.909 0.000 1.181 302 A CA 2.258 53.584 52.037 -1.185 0.000 0.620 302 A CB -1.295 16.384 19.000 -2.202 0.000 0.819 302 A HN 0.434 nan 8.150 nan 0.000 0.442 303 T N 0.495 114.613 114.554 -0.726 0.000 2.684 303 T HA -0.114 4.230 4.350 -0.010 0.000 0.267 303 T C 1.833 176.229 174.700 -0.506 0.000 1.036 303 T CA 1.504 63.304 62.100 -0.500 0.000 1.148 303 T CB -0.390 68.181 68.868 -0.494 0.000 0.863 303 T HN 0.340 nan 8.240 nan 0.000 0.436 304 L N 0.625 121.605 121.223 -0.405 0.000 2.046 304 L HA -0.161 4.173 4.340 -0.010 0.000 0.208 304 L C 2.971 179.712 176.870 -0.215 0.000 1.077 304 L CA 1.421 56.086 54.840 -0.292 0.000 0.747 304 L CB -0.512 41.416 42.059 -0.218 0.000 0.896 304 L HN 0.344 nan 8.230 nan 0.000 0.432 305 Q N -0.506 119.167 119.800 -0.213 0.000 2.061 305 Q HA -0.279 4.055 4.340 -0.010 0.000 0.204 305 Q C 1.830 177.790 176.000 -0.068 0.000 0.984 305 Q CA 1.971 57.704 55.803 -0.117 0.000 0.846 305 Q CB -0.175 28.485 28.738 -0.130 0.000 0.902 305 Q HN 0.404 nan 8.270 nan 0.000 0.421 306 D N 0.359 120.707 120.400 -0.086 0.000 2.144 306 D HA -0.106 4.528 4.640 -0.010 0.000 0.199 306 D C 1.623 177.857 176.300 -0.110 0.000 0.984 306 D CA 0.846 54.833 54.000 -0.022 0.000 0.834 306 D CB -0.020 40.877 40.800 0.163 0.000 0.955 306 D HN 0.185 nan 8.370 nan 0.000 0.465 307 I N -0.125 120.291 120.570 -0.256 0.000 2.252 307 I HA -0.191 3.972 4.170 -0.010 0.000 0.245 307 I C 2.216 178.344 176.117 0.019 0.000 1.102 307 I CA 0.627 61.725 61.300 -0.337 0.000 1.385 307 I CB -0.031 37.610 38.000 -0.599 0.000 1.064 307 I HN 0.036 nan 8.210 nan 0.000 0.414 308 I N 0.295 120.928 120.570 0.105 0.000 2.353 308 I HA -0.250 3.914 4.170 -0.010 0.000 0.248 308 I C 2.753 179.034 176.117 0.273 0.000 1.119 308 I CA 0.919 62.401 61.300 0.304 0.000 1.417 308 I CB -0.328 37.803 38.000 0.220 0.000 1.078 308 I HN 0.182 nan 8.210 nan 0.000 0.421 309 R N 1.263 121.848 120.500 0.141 0.000 2.073 309 R HA -0.215 4.119 4.340 -0.010 0.000 0.234 309 R C 2.447 178.815 176.300 0.113 0.000 1.134 309 R CA 1.640 57.809 56.100 0.115 0.000 0.952 309 R CB -0.281 30.067 30.300 0.080 0.000 0.850 309 R HN 0.206 nan 8.270 nan 0.000 0.433 310 R N -0.531 120.028 120.500 0.097 0.000 2.091 310 R HA -0.181 4.153 4.340 -0.010 0.000 0.238 310 R C 2.200 178.599 176.300 0.165 0.000 1.136 310 R CA 1.890 58.054 56.100 0.107 0.000 0.959 310 R CB -0.418 29.930 30.300 0.080 0.000 0.856 310 R HN 0.300 nan 8.270 nan 0.000 0.437 311 F N 1.638 121.632 119.950 0.073 0.000 2.146 311 F HA -0.114 4.407 4.527 -0.011 0.000 0.298 311 F C 1.740 177.554 175.800 0.024 0.000 1.096 311 F CA 1.473 59.511 58.000 0.063 0.000 1.275 311 F CB -0.070 39.029 39.000 0.165 0.000 1.008 311 F HN -0.144 nan 8.300 nan 0.000 0.480 312 K N 0.073 120.438 120.400 -0.058 0.000 2.281 312 K HA -0.126 4.188 4.320 -0.010 0.000 0.203 312 K C 2.140 178.625 176.600 -0.191 0.000 1.046 312 K CA 1.325 57.492 56.287 -0.201 0.000 0.938 312 K CB -0.264 32.240 32.500 0.007 0.000 0.737 312 K HN 0.301 nan 8.250 nan 0.000 0.458 313 S N 0.357 116.006 115.700 -0.085 0.000 2.303 313 S HA -0.033 4.431 4.470 -0.010 0.000 0.207 313 S C 0.782 175.327 174.600 -0.092 0.000 1.025 313 S CA -0.036 58.154 58.200 -0.017 0.000 0.953 313 S CB -0.064 63.206 63.200 0.116 0.000 0.932 313 S HN 0.282 nan 8.310 nan 0.000 0.472 325 N N 1.128 119.829 118.700 0.002 0.000 2.437 325 N HA 0.401 5.135 4.740 -0.010 0.000 0.243 325 N C 0.230 175.816 175.510 0.126 0.000 1.041 325 N CA -0.547 52.563 53.050 0.100 0.000 0.940 325 N CB 0.417 38.951 38.487 0.079 0.000 1.133 325 N HN 0.391 nan 8.380 nan 0.000 0.506 326 F N 0.649 120.696 119.950 0.162 0.000 2.816 326 F HA 0.004 4.525 4.527 -0.011 0.000 0.302 326 F C 1.611 177.479 175.800 0.113 0.000 1.178 326 F CA 0.178 58.267 58.000 0.147 0.000 1.421 326 F CB 0.170 39.137 39.000 -0.055 0.000 1.114 326 F HN 0.552 nan 8.300 nan 0.000 0.573 327 D N 0.357 120.894 120.400 0.228 0.000 2.178 327 D HA -0.149 4.485 4.640 -0.010 0.000 0.201 327 D C 2.197 178.582 176.300 0.141 0.000 0.980 327 D CA 1.270 55.361 54.000 0.151 0.000 0.842 327 D CB 0.062 40.927 40.800 0.109 0.000 0.948 327 D HN 0.335 nan 8.370 nan 0.000 0.472 328 A N -0.095 122.833 122.820 0.180 0.000 2.251 328 A HA 0.034 4.348 4.320 -0.010 0.000 0.209 328 A C 1.694 179.358 177.584 0.133 0.000 1.187 328 A CA -0.253 51.882 52.037 0.164 0.000 0.823 328 A CB -0.636 18.481 19.000 0.194 0.000 0.846 328 A HN 0.137 nan 8.150 nan 0.000 0.486 329 F N 1.945 121.815 119.950 -0.132 0.000 2.063 329 F HA -0.173 4.348 4.527 -0.010 0.000 0.298 329 F C -0.720 174.934 175.800 -0.243 0.000 1.109 329 F CA 2.688 60.393 58.000 -0.491 0.000 1.212 329 F CB -0.600 38.162 39.000 -0.397 0.000 0.973 329 F HN 0.206 nan 8.300 nan 0.000 0.480 330 P HA -0.109 nan 4.420 nan 0.000 0.225 330 P C 0.705 177.931 177.300 -0.124 0.000 1.148 330 P CA 1.517 64.551 63.100 -0.110 0.000 0.779 330 P CB -0.087 31.592 31.700 -0.036 0.000 0.780 331 D N -0.931 119.418 120.400 -0.085 0.000 2.323 331 D HA -0.028 4.606 4.640 -0.010 0.000 0.209 331 D C 1.513 177.776 176.300 -0.062 0.000 0.973 331 D CA 0.904 54.875 54.000 -0.048 0.000 0.874 331 D CB 0.107 40.906 40.800 -0.001 0.000 0.930 331 D HN 0.136 nan 8.370 nan 0.000 0.521 332 K N -0.142 120.187 120.400 -0.119 0.000 2.412 332 K HA 0.216 4.530 4.320 -0.010 0.000 0.202 332 K C -0.064 176.415 176.600 -0.202 0.000 1.102 332 K CA 0.062 56.293 56.287 -0.095 0.000 1.027 332 K CB 2.344 34.886 32.500 0.069 0.000 0.931 332 K HN -0.067 nan 8.250 nan 0.000 0.557 333 V N 0.967 120.657 119.914 -0.373 0.000 2.709 333 V HA 0.671 4.785 4.120 -0.010 0.000 0.308 333 V C -1.160 174.809 176.094 -0.209 0.000 1.062 333 V CA -1.209 60.874 62.300 -0.361 0.000 0.901 333 V CB 1.891 33.196 31.823 -0.864 0.000 1.003 333 V HN 0.122 nan 8.190 nan 0.000 0.425 334 A N 5.139 127.899 122.820 -0.099 0.000 2.375 334 A HA 0.898 5.211 4.320 -0.010 0.000 0.295 334 A C -1.065 176.516 177.584 -0.004 0.000 1.066 334 A CA -0.442 51.566 52.037 -0.048 0.000 0.722 334 A CB 1.251 20.169 19.000 -0.137 0.000 1.206 334 A HN 1.258 nan 8.150 nan 0.000 0.435 335 I N 0.724 121.348 120.570 0.089 0.000 2.382 335 I HA 0.696 4.860 4.170 -0.010 0.000 0.286 335 I C -0.600 175.591 176.117 0.124 0.000 1.002 335 I CA -0.416 60.956 61.300 0.120 0.000 1.135 335 I CB 1.815 39.880 38.000 0.108 0.000 1.288 335 I HN 0.537 nan 8.210 nan 0.000 0.448 336 Q N 5.885 125.750 119.800 0.109 0.000 2.278 336 Q HA 0.524 4.858 4.340 -0.010 0.000 0.257 336 Q C -1.600 174.389 176.000 -0.018 0.000 0.928 336 Q CA -0.420 55.479 55.803 0.161 0.000 0.932 336 Q CB 1.424 30.367 28.738 0.341 0.000 1.221 336 Q HN 0.766 nan 8.270 nan 0.000 0.434 337 L N 4.322 125.583 121.223 0.064 0.000 2.261 337 L HA 0.323 4.657 4.340 -0.010 0.000 0.289 337 L C -0.245 176.660 176.870 0.059 0.000 1.059 337 L CA -0.162 54.709 54.840 0.050 0.000 0.816 337 L CB 0.574 42.713 42.059 0.133 0.000 1.191 337 L HN 0.609 nan 8.230 nan 0.000 0.431 338 N N 4.161 122.821 118.700 -0.067 0.000 2.508 338 N HA 0.140 4.874 4.740 -0.010 0.000 0.253 338 N C -0.194 175.353 175.510 0.062 0.000 1.145 338 N CA 0.474 53.550 53.050 0.042 0.000 0.973 338 N CB -0.173 38.274 38.487 -0.066 0.000 1.305 338 N HN 0.555 nan 8.380 nan 0.000 0.506 339 D N -0.549 119.982 120.400 0.218 0.000 5.019 339 D HA -0.213 4.421 4.640 -0.010 0.000 0.304 339 D C 0.378 176.759 176.300 0.136 0.000 2.360 339 D CA 1.406 55.509 54.000 0.173 0.000 1.276 339 D CB -0.558 40.050 40.800 -0.320 0.000 1.079 339 D HN 0.470 nan 8.370 nan 0.000 1.254 340 T N -2.401 112.165 114.554 0.020 0.000 3.129 340 T HA 0.104 4.448 4.350 -0.010 0.000 0.251 340 T C 1.638 176.414 174.700 0.127 0.000 1.117 340 T CA 1.476 63.573 62.100 -0.005 0.000 1.034 340 T CB -0.492 68.341 68.868 -0.057 0.000 0.968 340 T HN 0.500 nan 8.240 nan 0.000 0.526 341 H N 2.599 121.748 119.070 0.132 0.000 2.353 341 H HA -0.020 4.529 4.556 -0.010 0.000 0.298 341 H C -0.839 174.569 175.328 0.134 0.000 1.103 341 H CA 1.121 57.264 56.048 0.158 0.000 1.293 341 H CB -0.817 29.039 29.762 0.158 0.000 1.372 341 H HN 0.454 nan 8.280 nan 0.000 0.501 342 P HA 0.075 nan 4.420 nan 0.000 0.263 342 P C 0.887 178.224 177.300 0.062 0.000 1.448 342 P CA 0.374 63.546 63.100 0.121 0.000 0.983 342 P CB 0.378 32.138 31.700 0.099 0.000 1.481 343 S N -0.043 115.687 115.700 0.050 0.000 2.440 343 S HA -0.141 4.323 4.470 -0.010 0.000 0.238 343 S C 1.734 176.334 174.600 -0.000 0.000 1.010 343 S CA 0.859 59.052 58.200 -0.012 0.000 0.972 343 S CB -1.559 61.610 63.200 -0.052 0.000 0.774 343 S HN 0.149 nan 8.310 nan 0.000 0.501 344 L N 0.934 122.170 121.223 0.021 0.000 2.549 344 L HA 0.025 4.359 4.340 -0.010 0.000 0.230 344 L C 2.898 179.798 176.870 0.050 0.000 1.162 344 L CA 0.599 55.455 54.840 0.025 0.000 0.834 344 L CB -0.749 41.323 42.059 0.021 0.000 0.947 344 L HN 0.487 nan 8.230 nan 0.000 0.452 345 A N 0.465 123.295 122.820 0.017 0.000 1.972 345 A HA -0.177 4.137 4.320 -0.010 0.000 0.219 345 A C 2.164 179.746 177.584 -0.004 0.000 1.169 345 A CA 1.383 53.415 52.037 -0.007 0.000 0.635 345 A CB -0.383 18.604 19.000 -0.022 0.000 0.810 345 A HN 0.351 nan 8.150 nan 0.000 0.446 346 I N 0.288 120.860 120.570 0.003 0.000 2.133 346 I HA -0.133 4.031 4.170 -0.010 0.000 0.238 346 I C -0.413 175.729 176.117 0.042 0.000 1.074 346 I CA 1.533 62.837 61.300 0.007 0.000 1.342 346 I CB -0.810 37.201 38.000 0.019 0.000 1.053 346 I HN 0.234 nan 8.210 nan 0.000 0.404 347 P HA -0.164 nan 4.420 nan 0.000 0.223 347 P C 1.239 178.560 177.300 0.035 0.000 1.151 347 P CA 1.432 64.573 63.100 0.067 0.000 0.787 347 P CB 0.031 31.790 31.700 0.097 0.000 0.788 348 E N 0.131 120.411 120.200 0.132 0.000 2.107 348 E HA -0.123 4.221 4.350 -0.010 0.000 0.191 348 E C 1.863 178.446 176.600 -0.029 0.000 0.982 348 E CA 0.523 57.014 56.400 0.151 0.000 0.809 348 E CB -1.128 28.717 29.700 0.241 0.000 0.756 348 E HN -0.002 nan 8.360 nan 0.000 0.459 349 L N -0.025 121.155 121.223 -0.073 0.000 2.093 349 L HA -0.033 4.301 4.340 -0.010 0.000 0.208 349 L C 1.980 178.713 176.870 -0.229 0.000 1.085 349 L CA 1.625 56.367 54.840 -0.163 0.000 0.755 349 L CB -0.478 41.490 42.059 -0.152 0.000 0.904 349 L HN 0.225 nan 8.230 nan 0.000 0.435 350 M N -0.813 118.667 119.600 -0.200 0.000 2.132 350 M HA -0.176 4.297 4.480 -0.010 0.000 0.263 350 M C 2.418 178.543 176.300 -0.292 0.000 1.065 350 M CA 1.426 56.549 55.300 -0.294 0.000 1.122 350 M CB -1.118 31.295 32.600 -0.312 0.000 1.365 350 M HN 0.315 nan 8.290 nan 0.000 0.411 351 R N -0.021 120.336 120.500 -0.240 0.000 2.080 351 R HA -0.145 4.189 4.340 -0.010 0.000 0.236 351 R C 2.105 178.291 176.300 -0.189 0.000 1.137 351 R CA 1.761 57.721 56.100 -0.234 0.000 0.943 351 R CB -0.263 29.852 30.300 -0.307 0.000 0.846 351 R HN 0.187 nan 8.270 nan 0.000 0.431 352 V N 1.449 121.254 119.914 -0.183 0.000 2.295 352 V HA -0.273 3.841 4.120 -0.010 0.000 0.246 352 V C 2.438 178.369 176.094 -0.271 0.000 1.049 352 V CA 1.830 64.018 62.300 -0.188 0.000 1.024 352 V CB -0.418 31.291 31.823 -0.189 0.000 0.648 352 V HN 0.362 nan 8.190 nan 0.000 0.447 353 L N -0.716 120.285 121.223 -0.370 0.000 2.046 353 L HA -0.159 4.175 4.340 -0.010 0.000 0.208 353 L C 2.393 179.075 176.870 -0.313 0.000 1.077 353 L CA 1.307 55.867 54.840 -0.467 0.000 0.747 353 L CB -0.573 41.180 42.059 -0.509 0.000 0.896 353 L HN 0.218 nan 8.230 nan 0.000 0.432 354 V N -0.671 119.094 119.914 -0.248 0.000 2.331 354 V HA -0.180 3.934 4.120 -0.010 0.000 0.242 354 V C 2.030 178.070 176.094 -0.091 0.000 1.034 354 V CA 1.596 63.806 62.300 -0.149 0.000 1.027 354 V CB -0.314 31.432 31.823 -0.128 0.000 0.667 354 V HN 0.346 nan 8.190 nan 0.000 0.457 355 D N 0.253 120.595 120.400 -0.096 0.000 2.084 355 D HA -0.065 4.568 4.640 -0.010 0.000 0.196 355 D C 2.111 178.377 176.300 -0.056 0.000 0.985 355 D CA 1.380 55.343 54.000 -0.061 0.000 0.826 355 D CB -0.151 40.609 40.800 -0.068 0.000 0.978 355 D HN 0.299 nan 8.370 nan 0.000 0.456 356 L N 0.408 121.584 121.223 -0.078 0.000 2.145 356 L HA 0.047 4.381 4.340 -0.010 0.000 0.201 356 L C 1.997 178.830 176.870 -0.061 0.000 1.075 356 L CA 0.725 55.529 54.840 -0.059 0.000 0.773 356 L CB -0.264 41.760 42.059 -0.058 0.000 0.936 356 L HN -0.123 nan 8.230 nan 0.000 0.451 357 E N 0.610 120.736 120.200 -0.122 0.000 2.435 357 E HA 0.002 4.345 4.350 -0.010 0.000 0.195 357 E C 0.146 176.702 176.600 -0.073 0.000 1.029 357 E CA -0.022 56.309 56.400 -0.114 0.000 0.865 357 E CB 0.193 29.703 29.700 -0.318 0.000 0.833 357 E HN 0.271 nan 8.360 nan 0.000 0.510 358 R N 0.024 120.479 120.500 -0.075 0.000 3.423 358 R HA -0.195 4.138 4.340 -0.010 0.000 0.271 358 R C -0.454 175.827 176.300 -0.032 0.000 1.093 358 R CA 0.259 56.338 56.100 -0.036 0.000 0.730 358 R CB -2.514 27.784 30.300 -0.003 0.000 1.190 358 R HN 0.053 nan 8.270 nan 0.000 0.437 359 L N 1.779 122.954 121.223 -0.078 0.000 2.399 359 L HA 0.190 4.524 4.340 -0.010 0.000 0.266 359 L C 1.193 178.049 176.870 -0.024 0.000 1.114 359 L CA 0.025 54.829 54.840 -0.060 0.000 0.804 359 L CB 0.603 42.580 42.059 -0.138 0.000 1.146 359 L HN 0.127 nan 8.230 nan 0.000 0.451 360 D N 0.853 121.265 120.400 0.020 0.000 2.362 360 D HA -0.132 4.502 4.640 -0.010 0.000 0.242 360 D C 0.982 177.339 176.300 0.094 0.000 1.132 360 D CA -0.488 53.557 54.000 0.076 0.000 0.907 360 D CB 0.723 41.576 40.800 0.088 0.000 1.195 360 D HN 0.598 nan 8.370 nan 0.000 0.429 361 W N 2.420 123.723 121.300 0.005 0.000 2.289 361 W HA -0.271 4.382 4.660 -0.010 0.000 0.331 361 W C 1.220 177.783 176.519 0.073 0.000 1.283 361 W CA 2.140 59.494 57.345 0.016 0.000 1.252 361 W CB -0.393 29.057 29.460 -0.017 0.000 1.153 361 W HN 0.508 nan 8.180 nan 0.000 0.467 362 D N 0.045 120.651 120.400 0.344 0.000 2.158 362 D HA -0.218 4.416 4.640 -0.010 0.000 0.197 362 D C 2.048 178.448 176.300 0.168 0.000 0.995 362 D CA 1.484 55.655 54.000 0.286 0.000 0.846 362 D CB -0.436 40.505 40.800 0.235 0.000 0.941 362 D HN 0.134 nan 8.370 nan 0.000 0.456 363 K N 0.894 121.350 120.400 0.093 0.000 2.057 363 K HA -0.016 4.297 4.320 -0.010 0.000 0.206 363 K C 2.028 178.621 176.600 -0.012 0.000 1.050 363 K CA 0.824 57.140 56.287 0.048 0.000 0.935 363 K CB -0.216 32.306 32.500 0.037 0.000 0.715 363 K HN 0.023 nan 8.250 nan 0.000 0.439 364 A N 0.851 123.621 122.820 -0.083 0.000 1.877 364 A HA -0.197 4.117 4.320 -0.010 0.000 0.216 364 A C 2.114 179.611 177.584 -0.146 0.000 1.186 364 A CA 1.321 53.240 52.037 -0.196 0.000 0.620 364 A CB -1.061 17.740 19.000 -0.332 0.000 0.822 364 A HN 0.644 nan 8.150 nan 0.000 0.443 365 W N 0.641 121.740 121.300 -0.335 0.000 2.358 365 W HA -0.156 4.498 4.660 -0.010 0.000 0.303 365 W C 2.001 178.469 176.519 -0.085 0.000 1.208 365 W CA 1.755 58.963 57.345 -0.229 0.000 1.274 365 W CB -0.087 29.297 29.460 -0.127 0.000 1.138 365 W HN 0.604 nan 8.180 nan 0.000 0.515 366 E N 0.144 120.344 120.200 0.001 0.000 2.058 366 E HA -0.232 4.112 4.350 -0.010 0.000 0.194 366 E C 2.026 178.546 176.600 -0.133 0.000 0.997 366 E CA 2.027 58.386 56.400 -0.067 0.000 0.801 366 E CB -0.314 29.402 29.700 0.027 0.000 0.746 366 E HN 0.072 nan 8.360 nan 0.000 0.450 367 V N 0.726 120.581 119.914 -0.098 0.000 2.295 367 V HA -0.267 3.847 4.120 -0.010 0.000 0.246 367 V C 2.446 178.474 176.094 -0.110 0.000 1.049 367 V CA 2.212 64.472 62.300 -0.068 0.000 1.024 367 V CB -0.879 30.904 31.823 -0.067 0.000 0.648 367 V HN 0.366 nan 8.190 nan 0.000 0.447 368 T N 0.085 114.506 114.554 -0.222 0.000 2.652 368 T HA -0.195 4.148 4.350 -0.010 0.000 0.267 368 T C 1.952 176.465 174.700 -0.312 0.000 1.039 368 T CA 1.848 63.789 62.100 -0.264 0.000 1.153 368 T CB -0.334 68.324 68.868 -0.350 0.000 0.863 368 T HN 0.263 nan 8.240 nan 0.000 0.428 369 V N 1.180 120.778 119.914 -0.527 0.000 2.392 369 V HA -0.168 3.946 4.120 -0.010 0.000 0.249 369 V C 2.383 178.406 176.094 -0.117 0.000 1.059 369 V CA 1.641 63.690 62.300 -0.418 0.000 1.051 369 V CB -0.464 31.034 31.823 -0.541 0.000 0.658 369 V HN 0.438 nan 8.190 nan 0.000 0.455 370 K N -0.378 119.936 120.400 -0.142 0.000 2.288 370 K HA -0.103 4.211 4.320 -0.010 0.000 0.201 370 K C 2.148 178.681 176.600 -0.111 0.000 1.048 370 K CA 1.516 57.700 56.287 -0.172 0.000 0.956 370 K CB -0.133 32.277 32.500 -0.149 0.000 0.746 370 K HN 0.630 nan 8.250 nan 0.000 0.461 371 T N -1.871 112.692 114.554 0.015 0.000 3.014 371 T HA 0.089 4.433 4.350 -0.010 0.000 0.250 371 T C 0.574 175.370 174.700 0.160 0.000 1.060 371 T CA -0.284 61.862 62.100 0.076 0.000 1.040 371 T CB 0.003 68.937 68.868 0.111 0.000 0.971 371 T HN 0.012 nan 8.240 nan 0.000 0.497 372 C N 2.631 122.021 119.300 0.151 0.000 2.365 372 C HA 0.921 5.375 4.460 -0.010 0.000 0.351 372 C C 0.548 175.618 174.990 0.133 0.000 1.240 372 C CA -0.844 58.249 59.018 0.125 0.000 2.062 372 C CB 0.219 27.969 27.740 0.015 0.000 2.387 372 C HN 0.733 nan 8.230 nan 0.000 0.537 373 A N 2.448 125.335 122.820 0.110 0.000 2.449 373 A HA 0.760 5.074 4.320 -0.010 0.000 0.302 373 A C -1.501 176.165 177.584 0.137 0.000 1.048 373 A CA -0.419 51.634 52.037 0.026 0.000 0.708 373 A CB 1.008 20.057 19.000 0.083 0.000 1.274 373 A HN 0.940 nan 8.150 nan 0.000 0.410 374 Y N 1.069 121.329 120.300 -0.067 0.000 2.409 374 Y HA 0.665 5.209 4.550 -0.010 0.000 0.343 374 Y C -0.524 175.371 175.900 -0.009 0.000 0.973 374 Y CA -0.379 57.694 58.100 -0.045 0.000 1.064 374 Y CB 2.121 40.512 38.460 -0.115 0.000 1.207 374 Y HN 0.552 nan 8.280 nan 0.000 0.452 375 T N 6.383 120.739 114.554 -0.331 0.000 2.791 375 T HA 0.180 4.524 4.350 -0.010 0.000 0.288 375 T C -0.823 173.452 174.700 -0.709 0.000 0.999 375 T CA -0.813 61.023 62.100 -0.440 0.000 0.952 375 T CB 0.390 69.230 68.868 -0.047 0.000 0.938 375 T HN 0.639 nan 8.240 nan 0.000 0.444 376 N N 1.753 120.020 118.700 -0.721 0.000 2.518 376 N HA 0.122 4.856 4.740 -0.010 0.000 0.283 376 N C 0.153 175.549 175.510 -0.191 0.000 1.119 376 N CA -0.228 52.641 53.050 -0.303 0.000 0.983 376 N CB 0.743 39.222 38.487 -0.013 0.000 1.139 376 N HN 0.658 nan 8.380 nan 0.000 0.465 377 H N 0.788 119.887 119.070 0.049 0.000 3.046 377 H HA 0.155 4.705 4.556 -0.011 0.000 0.262 377 H C -0.098 175.135 175.328 -0.158 0.000 1.044 377 H CA 0.142 56.159 56.048 -0.051 0.000 1.209 377 H CB 1.215 30.963 29.762 -0.023 0.000 1.507 377 H HN 0.540 nan 8.280 nan 0.000 0.507 378 T N -0.067 114.507 114.554 0.033 0.000 2.786 378 T HA 0.261 4.605 4.350 -0.010 0.000 0.316 378 T C 0.287 175.008 174.700 0.036 0.000 1.503 378 T CA -0.259 61.811 62.100 -0.050 0.000 1.019 378 T CB 1.216 70.048 68.868 -0.060 0.000 1.415 378 T HN -0.075 nan 8.240 nan 0.000 0.496 379 V N 1.148 121.042 119.914 -0.033 0.000 3.477 379 V HA 0.496 4.609 4.120 -0.010 0.000 0.297 379 V C 0.953 177.007 176.094 -0.066 0.000 1.433 379 V CA -0.087 62.187 62.300 -0.043 0.000 1.052 379 V CB -0.701 31.097 31.823 -0.041 0.000 0.895 379 V HN 0.792 nan 8.190 nan 0.000 0.438 380 I N -0.030 120.487 120.570 -0.089 0.000 2.556 380 I HA 0.292 4.456 4.170 -0.010 0.000 0.284 380 I C -0.728 175.374 176.117 -0.024 0.000 1.114 380 I CA -1.617 59.650 61.300 -0.054 0.000 1.418 380 I CB 0.553 38.506 38.000 -0.078 0.000 1.394 380 I HN -0.036 nan 8.210 nan 0.000 0.552 381 P HA -0.242 nan 4.420 nan 0.000 0.215 381 P C 1.149 178.431 177.300 -0.030 0.000 1.153 381 P CA 1.576 64.665 63.100 -0.017 0.000 0.853 381 P CB -0.109 31.588 31.700 -0.004 0.000 0.788 382 E N 0.422 120.624 120.200 0.003 0.000 2.401 382 E HA -0.088 4.255 4.350 -0.010 0.000 0.199 382 E C 1.562 178.080 176.600 -0.137 0.000 1.023 382 E CA 1.221 57.592 56.400 -0.048 0.000 0.859 382 E CB -0.714 29.055 29.700 0.114 0.000 0.780 382 E HN 0.224 nan 8.360 nan 0.000 0.523 383 A N 1.001 123.796 122.820 -0.041 0.000 2.220 383 A HA 0.205 4.519 4.320 -0.010 0.000 0.211 383 A C 1.171 178.723 177.584 -0.054 0.000 1.176 383 A CA -0.341 51.692 52.037 -0.007 0.000 0.834 383 A CB 0.131 19.157 19.000 0.045 0.000 0.868 383 A HN 0.145 nan 8.150 nan 0.000 0.488 384 L N 1.708 122.861 121.223 -0.117 0.000 2.455 384 L HA 0.114 4.448 4.340 -0.010 0.000 0.272 384 L C -0.028 176.507 176.870 -0.559 0.000 1.174 384 L CA 0.549 55.264 54.840 -0.209 0.000 0.869 384 L CB 0.338 42.308 42.059 -0.149 0.000 1.130 384 L HN 0.405 nan 8.230 nan 0.000 0.474 385 E N 4.842 124.629 120.200 -0.688 0.000 2.105 385 E HA 0.221 4.565 4.350 -0.010 0.000 0.285 385 E C -0.498 175.481 176.600 -1.035 0.000 1.055 385 E CA -0.255 55.305 56.400 -1.400 0.000 0.843 385 E CB 0.740 29.965 29.700 -0.791 0.000 1.067 385 E HN 0.365 nan 8.360 nan 0.000 0.398 386 R N 3.804 123.565 120.500 -1.232 0.000 2.407 386 R HA 0.198 4.532 4.340 -0.010 0.000 0.298 386 R C -1.212 174.921 176.300 -0.277 0.000 1.166 386 R CA -0.563 55.249 56.100 -0.480 0.000 1.006 386 R CB 0.879 31.027 30.300 -0.252 0.000 1.145 386 R HN 0.435 nan 8.270 nan 0.000 0.538 387 W N 4.760 126.016 121.300 -0.073 0.000 2.335 387 W HA 0.264 4.918 4.660 -0.011 0.000 0.306 387 W C -1.886 174.614 176.519 -0.032 0.000 1.216 387 W CA -2.151 55.215 57.345 0.034 0.000 1.237 387 W CB 0.819 30.273 29.460 -0.010 0.000 1.243 387 W HN 0.254 nan 8.180 nan 0.000 0.493 388 P HA -0.115 nan 4.420 nan 0.000 0.264 388 P C 0.828 178.083 177.300 -0.076 0.000 1.183 388 P CA 0.279 63.374 63.100 -0.008 0.000 0.763 388 P CB 0.777 32.328 31.700 -0.248 0.000 0.807 389 V N 3.290 123.211 119.914 0.011 0.000 2.392 389 V HA -0.284 3.830 4.120 -0.010 0.000 0.249 389 V C 2.147 178.255 176.094 0.024 0.000 1.059 389 V CA 2.533 64.853 62.300 0.033 0.000 1.051 389 V CB -1.717 30.187 31.823 0.135 0.000 0.658 389 V HN 0.766 nan 8.190 nan 0.000 0.455 390 H N -1.120 118.005 119.070 0.092 0.000 2.457 390 H HA -0.122 4.428 4.556 -0.010 0.000 0.297 390 H C 2.043 177.415 175.328 0.073 0.000 1.092 390 H CA 1.745 57.841 56.048 0.081 0.000 1.309 390 H CB -0.507 29.304 29.762 0.082 0.000 1.382 390 H HN 0.373 nan 8.280 nan 0.000 0.535 391 L N -0.111 120.956 121.223 -0.260 0.000 2.072 391 L HA -0.042 4.292 4.340 -0.010 0.000 0.205 391 L C 2.297 179.106 176.870 -0.101 0.000 1.079 391 L CA 0.792 55.560 54.840 -0.120 0.000 0.752 391 L CB -0.146 41.828 42.059 -0.142 0.000 0.906 391 L HN 0.329 nan 8.230 nan 0.000 0.436 392 L N -0.604 120.539 121.223 -0.132 0.000 2.141 392 L HA -0.211 4.123 4.340 -0.010 0.000 0.209 392 L C 2.461 179.257 176.870 -0.123 0.000 1.094 392 L CA 0.985 55.720 54.840 -0.176 0.000 0.763 392 L CB -0.326 41.622 42.059 -0.186 0.000 0.908 392 L HN 0.330 nan 8.230 nan 0.000 0.437 393 E N -0.450 119.722 120.200 -0.047 0.000 2.110 393 E HA -0.199 4.145 4.350 -0.010 0.000 0.193 393 E C 1.862 178.489 176.600 0.046 0.000 0.988 393 E CA 1.742 58.146 56.400 0.008 0.000 0.804 393 E CB 0.187 29.932 29.700 0.076 0.000 0.745 393 E HN 0.392 nan 8.360 nan 0.000 0.458 394 T N 0.700 115.302 114.554 0.080 0.000 2.852 394 T HA -0.057 4.287 4.350 -0.010 0.000 0.256 394 T C 1.689 176.495 174.700 0.178 0.000 1.038 394 T CA 0.594 62.793 62.100 0.164 0.000 1.141 394 T CB -0.078 68.919 68.868 0.216 0.000 0.869 394 T HN 0.062 nan 8.240 nan 0.000 0.439 395 L N 0.115 121.337 121.223 -0.001 0.000 2.127 395 L HA 0.349 4.682 4.340 -0.010 0.000 0.203 395 L C 0.323 177.114 176.870 -0.131 0.000 1.080 395 L CA 1.559 56.265 54.840 -0.222 0.000 0.768 395 L CB 0.044 41.934 42.059 -0.282 0.000 0.924 395 L HN 0.166 nan 8.230 nan 0.000 0.444 396 L N 0.603 121.711 121.223 -0.191 0.000 2.594 396 L HA 0.296 4.630 4.340 -0.010 0.000 0.245 396 L C -1.655 175.022 176.870 -0.322 0.000 1.460 396 L CA -1.091 53.550 54.840 -0.331 0.000 0.865 396 L CB 0.833 42.536 42.059 -0.593 0.000 1.131 396 L HN -0.068 nan 8.230 nan 0.000 0.506 397 P HA -0.241 nan 4.420 nan 0.000 0.216 397 P C 1.515 178.610 177.300 -0.342 0.000 1.157 397 P CA 1.378 64.345 63.100 -0.220 0.000 0.880 397 P CB 0.342 31.986 31.700 -0.093 0.000 0.791 398 R N -0.558 119.555 120.500 -0.645 0.000 2.092 398 R HA -0.151 4.183 4.340 -0.010 0.000 0.231 398 R C 2.369 178.355 176.300 -0.522 0.000 1.119 398 R CA 1.549 57.281 56.100 -0.613 0.000 0.970 398 R CB -1.313 28.459 30.300 -0.880 0.000 0.864 398 R HN 0.235 nan 8.270 nan 0.000 0.440 399 H N -0.277 118.474 119.070 -0.531 0.000 2.387 399 H HA -0.061 4.489 4.556 -0.010 0.000 0.299 399 H C 1.771 176.920 175.328 -0.298 0.000 1.090 399 H CA 1.625 57.448 56.048 -0.375 0.000 1.332 399 H CB -0.055 29.452 29.762 -0.426 0.000 1.386 399 H HN 0.111 nan 8.280 nan 0.000 0.516 400 L N 0.401 121.489 121.223 -0.225 0.000 2.093 400 L HA -0.227 4.107 4.340 -0.010 0.000 0.208 400 L C 1.858 178.516 176.870 -0.353 0.000 1.085 400 L CA 1.536 56.168 54.840 -0.345 0.000 0.755 400 L CB -0.275 41.593 42.059 -0.319 0.000 0.904 400 L HN 0.424 nan 8.230 nan 0.000 0.435 401 Q N -0.304 119.399 119.800 -0.161 0.000 2.084 401 Q HA -0.222 4.112 4.340 -0.010 0.000 0.202 401 Q C 2.180 178.191 176.000 0.017 0.000 0.978 401 Q CA 1.627 57.428 55.803 -0.003 0.000 0.844 401 Q CB -0.042 28.703 28.738 0.012 0.000 0.898 401 Q HN 0.535 nan 8.270 nan 0.000 0.426 402 I N 0.222 120.783 120.570 -0.016 0.000 2.315 402 I HA -0.263 3.901 4.170 -0.010 0.000 0.248 402 I C 2.024 178.210 176.117 0.114 0.000 1.117 402 I CA 0.981 62.355 61.300 0.123 0.000 1.404 402 I CB -0.082 37.945 38.000 0.045 0.000 1.071 402 I HN 0.206 nan 8.210 nan 0.000 0.419 403 I N -0.657 119.903 120.570 -0.018 0.000 2.394 403 I HA -0.289 3.875 4.170 -0.010 0.000 0.251 403 I C 2.283 178.424 176.117 0.040 0.000 1.136 403 I CA 1.177 62.462 61.300 -0.025 0.000 1.425 403 I CB -0.269 37.651 38.000 -0.132 0.000 1.079 403 I HN 0.166 nan 8.210 nan 0.000 0.425 404 Y N 0.844 121.144 120.300 0.001 0.000 2.200 404 Y HA -0.243 4.301 4.550 -0.010 0.000 0.290 404 Y C 2.595 178.454 175.900 -0.069 0.000 1.137 404 Y CA 1.412 59.498 58.100 -0.022 0.000 1.163 404 Y CB -0.750 37.691 38.460 -0.032 0.000 0.988 404 Y HN 0.190 nan 8.280 nan 0.000 0.518 405 E N 0.429 120.658 120.200 0.049 0.000 2.106 405 E HA -0.145 4.199 4.350 -0.010 0.000 0.192 405 E C 2.019 178.499 176.600 -0.200 0.000 0.984 405 E CA 1.302 57.581 56.400 -0.202 0.000 0.806 405 E CB -0.567 28.858 29.700 -0.457 0.000 0.750 405 E HN 0.484 nan 8.360 nan 0.000 0.458 406 I N 0.516 121.073 120.570 -0.022 0.000 2.252 406 I HA -0.238 3.926 4.170 -0.010 0.000 0.245 406 I C 2.245 178.356 176.117 -0.009 0.000 1.102 406 I CA 1.242 62.495 61.300 -0.077 0.000 1.385 406 I CB -0.334 37.637 38.000 -0.049 0.000 1.064 406 I HN 0.205 nan 8.210 nan 0.000 0.414 407 N N 0.715 119.466 118.700 0.084 0.000 2.084 407 N HA -0.254 4.480 4.740 -0.010 0.000 0.190 407 N C 1.868 177.458 175.510 0.134 0.000 1.030 407 N CA 1.545 54.703 53.050 0.180 0.000 0.849 407 N CB -0.091 38.518 38.487 0.205 0.000 1.012 407 N HN 0.262 nan 8.380 nan 0.000 0.423 408 Q N -0.170 119.649 119.800 0.032 0.000 2.030 408 Q HA -0.113 4.221 4.340 -0.010 0.000 0.204 408 Q C 1.973 177.944 176.000 -0.048 0.000 0.986 408 Q CA 1.621 57.403 55.803 -0.035 0.000 0.843 408 Q CB 0.018 28.692 28.738 -0.107 0.000 0.904 408 Q HN 0.415 nan 8.270 nan 0.000 0.420 409 R N -0.879 119.570 120.500 -0.084 0.000 2.148 409 R HA -0.103 4.231 4.340 -0.010 0.000 0.223 409 R C 2.088 178.412 176.300 0.040 0.000 1.088 409 R CA 0.973 57.026 56.100 -0.078 0.000 0.985 409 R CB -0.275 29.920 30.300 -0.175 0.000 0.880 409 R HN 0.264 nan 8.270 nan 0.000 0.451 410 F N 1.608 121.528 119.950 -0.049 0.000 2.128 410 F HA -0.012 4.509 4.527 -0.011 0.000 0.295 410 F C 1.852 177.674 175.800 0.036 0.000 1.100 410 F CA 1.081 59.101 58.000 0.033 0.000 1.260 410 F CB -0.210 38.841 39.000 0.084 0.000 1.009 410 F HN -0.154 nan 8.300 nan 0.000 0.476 411 L N 0.133 121.299 121.223 -0.095 0.000 2.131 411 L HA -0.231 4.103 4.340 -0.010 0.000 0.210 411 L C 2.008 178.779 176.870 -0.165 0.000 1.092 411 L CA 1.526 56.249 54.840 -0.195 0.000 0.759 411 L CB -0.861 41.170 42.059 -0.046 0.000 0.903 411 L HN 0.259 nan 8.230 nan 0.000 0.435 412 N N -0.327 118.311 118.700 -0.104 0.000 2.244 412 N HA -0.167 4.567 4.740 -0.010 0.000 0.183 412 N C 1.934 177.390 175.510 -0.091 0.000 1.016 412 N CA 0.635 53.635 53.050 -0.082 0.000 0.866 412 N CB 0.063 38.512 38.487 -0.064 0.000 0.980 412 N HN 0.238 nan 8.380 nan 0.000 0.430 413 R N 0.444 120.876 120.500 -0.115 0.000 2.075 413 R HA -0.031 4.303 4.340 -0.010 0.000 0.232 413 R C 2.122 178.339 176.300 -0.138 0.000 1.126 413 R CA 0.751 56.792 56.100 -0.097 0.000 0.963 413 R CB -0.111 30.161 30.300 -0.046 0.000 0.858 413 R HN 0.039 nan 8.270 nan 0.000 0.435 414 V N 0.669 120.439 119.914 -0.239 0.000 2.261 414 V HA -0.244 3.870 4.120 -0.010 0.000 0.246 414 V C 2.368 178.465 176.094 0.006 0.000 1.047 414 V CA 2.000 64.227 62.300 -0.121 0.000 1.015 414 V CB -0.788 30.870 31.823 -0.274 0.000 0.642 414 V HN 0.443 nan 8.190 nan 0.000 0.446 415 A N 0.135 122.924 122.820 -0.053 0.000 1.908 415 A HA -0.183 4.131 4.320 -0.010 0.000 0.218 415 A C 2.404 179.965 177.584 -0.037 0.000 1.181 415 A CA 2.329 54.351 52.037 -0.024 0.000 0.627 415 A CB -0.837 18.136 19.000 -0.045 0.000 0.818 415 A HN 0.609 nan 8.150 nan 0.000 0.445 416 A N -0.591 122.189 122.820 -0.067 0.000 1.969 416 A HA 0.224 4.537 4.320 -0.010 0.000 0.218 416 A C 2.398 179.897 177.584 -0.142 0.000 1.169 416 A CA 1.935 53.922 52.037 -0.083 0.000 0.635 416 A CB -0.719 18.238 19.000 -0.072 0.000 0.810 416 A HN 1.018 nan 8.150 nan 0.000 0.445 417 A N -1.538 121.156 122.820 -0.210 0.000 1.935 417 A HA 0.370 4.684 4.320 -0.010 0.000 0.214 417 A C 0.493 177.620 177.584 -0.763 0.000 1.178 417 A CA 0.513 52.250 52.037 -0.499 0.000 0.640 417 A CB -0.143 18.487 19.000 -0.617 0.000 0.825 417 A HN 0.433 nan 8.150 nan 0.000 0.447 418 F N 0.113 120.015 119.950 -0.080 0.000 2.531 418 F HA 0.352 4.872 4.527 -0.011 0.000 0.333 418 F C -2.757 173.004 175.800 -0.066 0.000 1.292 418 F CA -2.793 55.164 58.000 -0.072 0.000 1.184 418 F CB 0.732 39.680 39.000 -0.086 0.000 1.426 418 F HN -0.070 nan 8.300 nan 0.000 0.559 419 P HA 0.138 nan 4.420 nan 0.000 0.261 419 P C 1.028 178.345 177.300 0.027 0.000 1.183 419 P CA 1.172 64.280 63.100 0.013 0.000 0.761 419 P CB 0.739 32.429 31.700 -0.017 0.000 0.785 420 G N 2.938 111.748 108.800 0.016 0.000 2.234 420 G HA2 -0.256 3.698 3.960 -0.010 0.000 0.260 420 G HA3 -0.256 3.698 3.960 -0.010 0.000 0.260 420 G C 0.438 175.345 174.900 0.011 0.000 0.987 420 G CA 0.016 45.122 45.100 0.009 0.000 0.625 420 G HN 0.582 nan 8.290 nan 0.000 0.532 421 D N 1.126 121.543 120.400 0.027 0.000 2.600 421 D HA 0.347 4.981 4.640 -0.010 0.000 0.226 421 D C 1.669 177.954 176.300 -0.026 0.000 1.119 421 D CA 0.522 54.522 54.000 -0.000 0.000 1.051 421 D CB 0.476 41.274 40.800 -0.002 0.000 1.106 421 D HN 0.180 nan 8.370 nan 0.000 0.491 422 V N 2.649 122.550 119.914 -0.021 0.000 2.490 422 V HA -0.232 3.882 4.120 -0.010 0.000 0.250 422 V C 1.673 177.748 176.094 -0.032 0.000 1.061 422 V CA 2.024 64.309 62.300 -0.024 0.000 1.064 422 V CB -0.032 31.781 31.823 -0.017 0.000 0.670 422 V HN 0.355 nan 8.190 nan 0.000 0.461 423 D N -0.577 119.801 120.400 -0.037 0.000 2.183 423 D HA -0.165 4.469 4.640 -0.010 0.000 0.203 423 D C 2.326 178.591 176.300 -0.059 0.000 0.969 423 D CA 1.101 55.079 54.000 -0.037 0.000 0.842 423 D CB -0.184 40.595 40.800 -0.035 0.000 0.957 423 D HN 0.435 nan 8.370 nan 0.000 0.484 424 R N -0.328 120.111 120.500 -0.101 0.000 2.115 424 R HA -0.099 4.235 4.340 -0.010 0.000 0.230 424 R C 1.754 177.966 176.300 -0.146 0.000 1.111 424 R CA 0.674 56.674 56.100 -0.168 0.000 0.976 424 R CB -0.192 29.943 30.300 -0.276 0.000 0.870 424 R HN 0.145 nan 8.270 nan 0.000 0.445 425 L N 1.544 122.707 121.223 -0.099 0.000 1.989 425 L HA -0.174 4.159 4.340 -0.010 0.000 0.211 425 L C 2.546 179.401 176.870 -0.025 0.000 1.071 425 L CA 2.130 56.926 54.840 -0.074 0.000 0.749 425 L CB -0.800 41.229 42.059 -0.049 0.000 0.890 425 L HN 0.292 nan 8.230 nan 0.000 0.431 426 R N -1.239 119.258 120.500 -0.005 0.000 2.148 426 R HA -0.065 4.269 4.340 -0.010 0.000 0.227 426 R C 2.159 178.502 176.300 0.072 0.000 1.103 426 R CA 1.023 57.145 56.100 0.037 0.000 0.983 426 R CB -0.559 29.758 30.300 0.029 0.000 0.874 426 R HN 0.176 nan 8.270 nan 0.000 0.451 427 R N 0.119 120.642 120.500 0.038 0.000 2.090 427 R HA 0.133 4.467 4.340 -0.010 0.000 0.228 427 R C 1.888 178.271 176.300 0.139 0.000 1.110 427 R CA 1.618 57.766 56.100 0.079 0.000 0.973 427 R CB -0.089 30.216 30.300 0.007 0.000 0.869 427 R HN 0.326 nan 8.270 nan 0.000 0.440 428 M N -0.003 119.602 119.600 0.007 0.000 2.509 428 M HA 0.040 4.514 4.480 -0.010 0.000 0.250 428 M C 0.820 177.295 176.300 0.292 0.000 1.132 428 M CA -0.023 55.243 55.300 -0.058 0.000 1.080 428 M CB 0.534 32.900 32.600 -0.389 0.000 1.408 428 M HN -0.087 nan 8.290 nan 0.000 0.484 429 S N 0.921 116.790 115.700 0.283 0.000 2.558 429 S HA 0.046 4.509 4.470 -0.010 0.000 0.287 429 S C 1.111 175.991 174.600 0.466 0.000 1.321 429 S CA -0.194 58.203 58.200 0.328 0.000 1.048 429 S CB 0.575 63.899 63.200 0.206 0.000 0.844 429 S HN 0.380 nan 8.310 nan 0.000 0.512 430 L N 3.673 125.121 121.223 0.375 0.000 2.341 430 L HA 0.145 4.479 4.340 -0.010 0.000 0.214 430 L C 0.210 177.192 176.870 0.186 0.000 1.115 430 L CA 0.205 55.219 54.840 0.290 0.000 0.820 430 L CB -0.365 41.812 42.059 0.197 0.000 0.944 430 L HN 0.383 nan 8.230 nan 0.000 0.452 431 V N 0.839 120.876 119.914 0.206 0.000 2.383 431 V HA 0.183 4.296 4.120 -0.010 0.000 0.275 431 V C 0.058 176.238 176.094 0.143 0.000 1.036 431 V CA -0.547 61.861 62.300 0.179 0.000 0.889 431 V CB 1.419 33.383 31.823 0.235 0.000 0.985 431 V HN 0.167 nan 8.190 nan 0.000 0.459 432 E N 3.079 123.343 120.200 0.107 0.000 2.174 432 E HA 0.405 4.748 4.350 -0.010 0.000 0.282 432 E C -0.661 175.989 176.600 0.082 0.000 0.992 432 E CA -0.526 55.925 56.400 0.086 0.000 0.803 432 E CB 1.804 31.535 29.700 0.052 0.000 1.090 432 E HN 0.623 nan 8.360 nan 0.000 0.396 433 E N 0.958 121.202 120.200 0.073 0.000 2.283 433 E HA 0.651 4.995 4.350 -0.010 0.000 0.267 433 E C 0.067 176.701 176.600 0.055 0.000 1.045 433 E CA 0.264 56.702 56.400 0.063 0.000 0.884 433 E CB 1.559 31.290 29.700 0.050 0.000 1.106 433 E HN 0.637 nan 8.360 nan 0.000 0.408 434 G N 0.143 108.975 108.800 0.053 0.000 2.332 434 G HA2 0.267 4.220 3.960 -0.010 0.000 0.265 434 G HA3 0.267 4.220 3.960 -0.010 0.000 0.265 434 G C 0.494 175.424 174.900 0.050 0.000 1.329 434 G CA 0.286 45.414 45.100 0.046 0.000 0.949 434 G HN 0.642 nan 8.290 nan 0.000 0.476 435 A N -0.879 121.969 122.820 0.047 0.000 1.879 435 A HA 0.212 4.526 4.320 -0.010 0.000 0.222 435 A C 1.828 179.450 177.584 0.063 0.000 1.368 435 A CA 4.544 56.610 52.037 0.048 0.000 0.707 435 A CB -1.296 17.733 19.000 0.048 0.000 0.846 435 A HN 2.423 nan 8.150 nan 0.000 0.468 436 V N -2.707 117.257 119.914 0.083 0.000 2.680 436 V HA 0.581 4.695 4.120 -0.010 0.000 0.309 436 V C -0.519 175.646 176.094 0.119 0.000 1.052 436 V CA -1.348 61.025 62.300 0.120 0.000 0.908 436 V CB 1.711 33.639 31.823 0.175 0.000 1.001 436 V HN 0.423 nan 8.190 nan 0.000 0.431 437 K N 4.085 124.565 120.400 0.133 0.000 2.295 437 K HA 0.514 4.828 4.320 -0.010 0.000 0.270 437 K C -0.441 176.233 176.600 0.122 0.000 1.011 437 K CA -0.258 56.104 56.287 0.125 0.000 0.953 437 K CB 0.979 33.566 32.500 0.144 0.000 0.956 437 K HN 0.738 nan 8.250 nan 0.000 0.477 438 R N 1.005 121.565 120.500 0.100 0.000 2.836 438 R HA 0.494 4.828 4.340 -0.010 0.000 0.269 438 R C -0.750 175.592 176.300 0.070 0.000 1.010 438 R CA -0.995 55.153 56.100 0.080 0.000 0.930 438 R CB 1.301 31.629 30.300 0.047 0.000 1.218 438 R HN 0.374 nan 8.270 nan 0.000 0.473 439 I N 1.822 122.427 120.570 0.058 0.000 2.362 439 I HA 0.178 4.342 4.170 -0.010 0.000 0.289 439 I C -0.336 175.765 176.117 -0.027 0.000 0.994 439 I CA -0.769 60.553 61.300 0.036 0.000 1.158 439 I CB 1.331 39.352 38.000 0.035 0.000 1.315 439 I HN 0.505 nan 8.210 nan 0.000 0.451 440 N N 7.087 125.739 118.700 -0.080 0.000 2.415 440 N HA 0.075 4.809 4.740 -0.010 0.000 0.250 440 N C 0.897 176.301 175.510 -0.176 0.000 1.127 440 N CA -0.335 52.582 53.050 -0.221 0.000 0.945 440 N CB 0.878 39.076 38.487 -0.482 0.000 1.196 440 N HN 0.378 nan 8.380 nan 0.000 0.499 441 M N 2.322 121.827 119.600 -0.158 0.000 2.213 441 M HA -0.101 4.372 4.480 -0.010 0.000 0.263 441 M C 1.958 178.122 176.300 -0.227 0.000 1.062 441 M CA 0.816 56.040 55.300 -0.127 0.000 1.105 441 M CB -1.562 31.003 32.600 -0.057 0.000 1.385 441 M HN 0.595 nan 8.290 nan 0.000 0.417 442 A N -0.698 121.979 122.820 -0.238 0.000 1.930 442 A HA -0.169 4.145 4.320 -0.010 0.000 0.217 442 A C 1.987 179.353 177.584 -0.363 0.000 1.175 442 A CA 1.442 53.301 52.037 -0.297 0.000 0.627 442 A CB -1.113 17.887 19.000 0.000 0.000 0.815 442 A HN 0.612 nan 8.150 nan 0.000 0.443 443 H N -1.101 117.756 119.070 -0.354 0.000 2.423 443 H HA 0.000 4.550 4.556 -0.011 0.000 0.297 443 H C 2.099 177.223 175.328 -0.341 0.000 1.075 443 H CA 0.815 56.619 56.048 -0.407 0.000 1.342 443 H CB -0.014 29.729 29.762 -0.031 0.000 1.395 443 H HN 0.380 nan 8.280 nan 0.000 0.530 444 L N 0.350 121.501 121.223 -0.121 0.000 2.017 444 L HA -0.222 4.112 4.340 -0.010 0.000 0.208 444 L C 2.216 178.964 176.870 -0.204 0.000 1.073 444 L CA 1.328 56.099 54.840 -0.116 0.000 0.745 444 L CB -0.406 41.605 42.059 -0.080 0.000 0.894 444 L HN 0.435 nan 8.230 nan 0.000 0.432 445 C N 0.100 119.177 119.300 -0.372 0.000 2.429 445 C HA -0.174 4.280 4.460 -0.010 0.000 0.277 445 C C 2.675 177.433 174.990 -0.387 0.000 1.262 445 C CA 0.614 59.339 59.018 -0.489 0.000 1.733 445 C CB -0.786 26.287 27.740 -1.112 0.000 2.010 445 C HN 0.519 nan 8.230 nan 0.000 0.483 446 I N 1.373 121.669 120.570 -0.456 0.000 2.226 446 I HA -0.195 3.968 4.170 -0.010 0.000 0.245 446 I C 2.736 178.703 176.117 -0.250 0.000 1.100 446 I CA 1.605 62.675 61.300 -0.383 0.000 1.374 446 I CB -0.521 37.105 38.000 -0.624 0.000 1.057 446 I HN 0.274 nan 8.210 nan 0.000 0.413 447 A N 0.532 123.182 122.820 -0.283 0.000 1.898 447 A HA -0.069 4.245 4.320 -0.010 0.000 0.216 447 A C 2.196 179.812 177.584 0.053 0.000 1.181 447 A CA 1.796 53.699 52.037 -0.222 0.000 0.620 447 A CB -1.092 17.612 19.000 -0.494 0.000 0.819 447 A HN 0.465 nan 8.150 nan 0.000 0.442 448 G N -0.956 107.834 108.800 -0.017 0.000 3.371 448 G HA2 0.422 4.376 3.960 -0.010 0.000 0.248 448 G HA3 0.422 4.376 3.960 -0.010 0.000 0.248 448 G C 0.021 174.766 174.900 -0.258 0.000 1.161 448 G CA 0.414 45.374 45.100 -0.233 0.000 0.796 448 G HN 0.332 nan 8.290 nan 0.000 0.539 449 S N -0.172 115.434 115.700 -0.158 0.000 2.536 449 S HA 0.320 4.783 4.470 -0.010 0.000 0.298 449 S C 0.674 175.232 174.600 -0.070 0.000 1.083 449 S CA -0.722 57.416 58.200 -0.102 0.000 0.995 449 S CB 1.251 64.400 63.200 -0.086 0.000 1.058 449 S HN 0.512 nan 8.310 nan 0.000 0.488 450 H N -0.099 118.936 119.070 -0.059 0.000 2.539 450 H HA 0.526 5.076 4.556 -0.011 0.000 0.267 450 H C 0.035 175.357 175.328 -0.010 0.000 0.982 450 H CA 0.167 56.206 56.048 -0.015 0.000 1.146 450 H CB 0.120 29.882 29.762 -0.000 0.000 1.382 450 H HN 0.525 nan 8.280 nan 0.000 0.577 451 A N 0.905 123.440 122.820 -0.476 0.000 2.488 451 A HA 0.540 4.854 4.320 -0.010 0.000 0.295 451 A C -1.497 175.898 177.584 -0.315 0.000 1.045 451 A CA -0.560 51.238 52.037 -0.398 0.000 0.703 451 A CB 2.019 20.731 19.000 -0.480 0.000 1.271 451 A HN 0.093 nan 8.150 nan 0.000 0.400 452 V N 4.255 123.950 119.914 -0.365 0.000 2.531 452 V HA 0.576 4.689 4.120 -0.010 0.000 0.301 452 V C -0.628 175.297 176.094 -0.281 0.000 1.034 452 V CA -0.723 61.361 62.300 -0.361 0.000 0.865 452 V CB 1.853 33.332 31.823 -0.574 0.000 0.995 452 V HN 1.025 nan 8.190 nan 0.000 0.424 453 N N 2.968 121.517 118.700 -0.251 0.000 2.262 453 N HA 0.613 5.346 4.740 -0.010 0.000 0.295 453 N C -0.341 175.084 175.510 -0.142 0.000 1.161 453 N CA -0.409 52.538 53.050 -0.172 0.000 0.767 453 N CB 2.902 41.265 38.487 -0.208 0.000 1.499 453 N HN 0.649 nan 8.380 nan 0.000 0.476 454 G N -0.789 107.962 108.800 -0.082 0.000 2.488 454 G HA2 0.417 4.371 3.960 -0.010 0.000 0.318 454 G HA3 0.417 4.371 3.960 -0.010 0.000 0.318 454 G C 0.828 175.800 174.900 0.121 0.000 1.188 454 G CA -0.586 44.522 45.100 0.014 0.000 0.944 454 G HN 0.595 nan 8.290 nan 0.000 0.495 455 V N -3.230 116.861 119.914 0.296 0.000 3.542 455 V HA 0.668 4.782 4.120 -0.010 0.000 0.296 455 V C 0.641 176.809 176.094 0.123 0.000 1.364 455 V CA 0.372 62.746 62.300 0.123 0.000 1.118 455 V CB -0.927 30.906 31.823 0.016 0.000 0.972 455 V HN 1.304 nan 8.190 nan 0.000 0.430 456 A N -0.215 122.693 122.820 0.147 0.000 2.594 456 A HA 0.609 4.923 4.320 -0.010 0.000 0.296 456 A C 0.712 178.344 177.584 0.080 0.000 1.061 456 A CA -0.159 51.942 52.037 0.107 0.000 0.689 456 A CB 1.150 20.204 19.000 0.090 0.000 1.280 456 A HN 0.013 nan 8.150 nan 0.000 0.406 457 R N 0.946 121.472 120.500 0.044 0.000 2.113 457 R HA -0.190 4.143 4.340 -0.010 0.000 0.244 457 R C 1.707 178.003 176.300 -0.006 0.000 1.142 457 R CA 2.400 58.504 56.100 0.006 0.000 0.953 457 R CB -0.242 30.058 30.300 -0.002 0.000 0.860 457 R HN 0.840 nan 8.270 nan 0.000 0.438 458 I N 0.042 120.619 120.570 0.011 0.000 2.252 458 I HA -0.286 3.878 4.170 -0.010 0.000 0.245 458 I C 2.356 178.479 176.117 0.010 0.000 1.102 458 I CA 1.923 63.221 61.300 -0.003 0.000 1.385 458 I CB -0.252 37.747 38.000 -0.001 0.000 1.064 458 I HN 0.327 nan 8.210 nan 0.000 0.414 459 H N 0.231 119.271 119.070 -0.051 0.000 2.353 459 H HA -0.117 4.432 4.556 -0.011 0.000 0.300 459 H C 2.231 177.519 175.328 -0.066 0.000 1.090 459 H CA 2.143 58.155 56.048 -0.060 0.000 1.327 459 H CB -0.281 29.452 29.762 -0.048 0.000 1.383 459 H HN 0.248 nan 8.280 nan 0.000 0.508 460 S N -0.003 115.583 115.700 -0.190 0.000 2.399 460 S HA -0.112 4.351 4.470 -0.010 0.000 0.231 460 S C 1.842 176.311 174.600 -0.218 0.000 1.022 460 S CA 1.207 59.266 58.200 -0.235 0.000 0.983 460 S CB -0.070 63.067 63.200 -0.105 0.000 0.803 460 S HN 0.485 nan 8.310 nan 0.000 0.480 461 E N 0.903 121.000 120.200 -0.171 0.000 2.158 461 E HA 0.088 4.432 4.350 -0.010 0.000 0.191 461 E C 1.941 178.420 176.600 -0.201 0.000 0.982 461 E CA 0.455 56.747 56.400 -0.181 0.000 0.823 461 E CB -0.264 29.362 29.700 -0.123 0.000 0.766 461 E HN 0.499 nan 8.360 nan 0.000 0.468 462 I N 0.848 121.310 120.570 -0.180 0.000 2.394 462 I HA -0.236 3.928 4.170 -0.010 0.000 0.251 462 I C 2.274 178.250 176.117 -0.235 0.000 1.136 462 I CA 0.629 61.827 61.300 -0.170 0.000 1.425 462 I CB -0.097 37.835 38.000 -0.114 0.000 1.079 462 I HN 0.055 nan 8.210 nan 0.000 0.425 463 L N 0.276 121.315 121.223 -0.306 0.000 2.046 463 L HA -0.222 4.112 4.340 -0.010 0.000 0.208 463 L C 2.449 179.163 176.870 -0.259 0.000 1.077 463 L CA 1.538 56.191 54.840 -0.311 0.000 0.747 463 L CB -0.519 41.417 42.059 -0.205 0.000 0.896 463 L HN 0.200 nan 8.230 nan 0.000 0.432 464 K N -0.108 120.078 120.400 -0.357 0.000 2.167 464 K HA -0.105 4.209 4.320 -0.010 0.000 0.203 464 K C 2.063 178.457 176.600 -0.344 0.000 1.052 464 K CA 0.910 56.858 56.287 -0.565 0.000 0.956 464 K CB 0.105 32.042 32.500 -0.937 0.000 0.735 464 K HN 0.237 nan 8.250 nan 0.000 0.451 465 K N -0.265 119.989 120.400 -0.245 0.000 2.211 465 K HA 0.026 4.340 4.320 -0.010 0.000 0.201 465 K C 1.306 177.844 176.600 -0.103 0.000 1.052 465 K CA 0.944 57.145 56.287 -0.144 0.000 0.973 465 K CB 0.463 32.889 32.500 -0.123 0.000 0.766 465 K HN 0.060 nan 8.250 nan 0.000 0.466 466 T N 0.542 115.020 114.554 -0.128 0.000 2.709 466 T HA 0.066 4.410 4.350 -0.010 0.000 0.174 466 T C 1.521 176.158 174.700 -0.104 0.000 0.774 466 T CA -0.398 61.640 62.100 -0.104 0.000 1.309 466 T CB -0.458 68.341 68.868 -0.114 0.000 2.586 466 T HN -0.081 nan 8.240 nan 0.000 0.401 467 I N 1.043 121.490 120.570 -0.205 0.000 2.121 467 I HA -0.216 3.948 4.170 -0.010 0.000 0.243 467 I C 0.865 176.914 176.117 -0.113 0.000 1.047 467 I CA 1.943 63.058 61.300 -0.308 0.000 1.308 467 I CB -0.200 37.377 38.000 -0.704 0.000 1.015 467 I HN 0.401 nan 8.210 nan 0.000 0.410 468 F N -0.299 119.709 119.950 0.097 0.000 2.850 468 F HA 0.207 4.728 4.527 -0.011 0.000 0.306 468 F C 1.766 177.638 175.800 0.120 0.000 1.162 468 F CA -0.508 57.622 58.000 0.217 0.000 1.327 468 F CB -0.164 38.970 39.000 0.223 0.000 0.953 468 F HN -0.072 nan 8.300 nan 0.000 0.507 469 K N 1.046 121.550 120.400 0.173 0.000 2.020 469 K HA -0.215 4.098 4.320 -0.010 0.000 0.212 469 K C 1.343 177.995 176.600 0.088 0.000 1.050 469 K CA 2.156 58.492 56.287 0.081 0.000 0.929 469 K CB -0.046 32.467 32.500 0.023 0.000 0.714 469 K HN 0.217 nan 8.250 nan 0.000 0.443 470 D N -0.133 120.286 120.400 0.032 0.000 2.149 470 D HA -0.174 4.460 4.640 -0.010 0.000 0.198 470 D C 1.839 178.040 176.300 -0.165 0.000 0.990 470 D CA 1.270 55.161 54.000 -0.182 0.000 0.839 470 D CB -0.315 40.273 40.800 -0.353 0.000 0.948 470 D HN 0.238 nan 8.370 nan 0.000 0.460 471 F N -0.257 119.763 119.950 0.118 0.000 2.206 471 F HA -0.131 4.390 4.527 -0.010 0.000 0.298 471 F C 2.320 178.272 175.800 0.254 0.000 1.090 471 F CA 0.449 58.604 58.000 0.258 0.000 1.323 471 F CB -0.599 38.631 39.000 0.384 0.000 1.028 471 F HN -0.036 nan 8.300 nan 0.000 0.492 472 Y N 1.376 121.653 120.300 -0.039 0.000 2.242 472 Y HA -0.173 4.371 4.550 -0.010 0.000 0.291 472 Y C 2.099 177.985 175.900 -0.024 0.000 1.137 472 Y CA 1.551 59.441 58.100 -0.350 0.000 1.181 472 Y CB -0.618 37.455 38.460 -0.645 0.000 0.989 472 Y HN 0.129 nan 8.280 nan 0.000 0.527 473 E N -0.090 120.040 120.200 -0.116 0.000 2.150 473 E HA -0.191 4.153 4.350 -0.010 0.000 0.193 473 E C 2.255 178.900 176.600 0.076 0.000 0.985 473 E CA 0.980 57.326 56.400 -0.091 0.000 0.814 473 E CB -0.199 29.498 29.700 -0.005 0.000 0.752 473 E HN 0.445 nan 8.360 nan 0.000 0.466 474 L N 0.866 122.179 121.223 0.152 0.000 2.023 474 L HA -0.090 4.244 4.340 -0.010 0.000 0.205 474 L C 0.206 177.156 176.870 0.133 0.000 1.073 474 L CA 1.496 56.469 54.840 0.223 0.000 0.745 474 L CB 0.094 42.292 42.059 0.233 0.000 0.900 474 L HN 0.073 nan 8.230 nan 0.000 0.435 475 E N 0.029 120.297 120.200 0.113 0.000 2.914 475 E HA 0.176 4.520 4.350 -0.010 0.000 0.246 475 E C -1.998 174.509 176.600 -0.155 0.000 1.146 475 E CA -1.508 54.832 56.400 -0.100 0.000 0.803 475 E CB 0.977 30.587 29.700 -0.150 0.000 1.409 475 E HN 0.198 nan 8.360 nan 0.000 0.392 476 P HA -0.265 nan 4.420 nan 0.000 0.218 476 P C 1.270 178.672 177.300 0.170 0.000 1.148 476 P CA 1.467 64.485 63.100 -0.136 0.000 0.822 476 P CB -0.138 31.359 31.700 -0.338 0.000 0.784 477 H N 0.270 119.450 119.070 0.183 0.000 2.489 477 H HA 0.000 4.550 4.556 -0.011 0.000 0.295 477 H C 1.549 176.965 175.328 0.147 0.000 1.082 477 H CA 0.924 57.064 56.048 0.154 0.000 1.295 477 H CB -0.679 29.144 29.762 0.102 0.000 1.380 477 H HN 0.164 nan 8.280 nan 0.000 0.548 478 K N 0.494 120.842 120.400 -0.087 0.000 2.103 478 K HA 0.009 4.323 4.320 -0.010 0.000 0.204 478 K C 0.044 176.509 176.600 -0.225 0.000 1.052 478 K CA 0.401 56.593 56.287 -0.159 0.000 0.945 478 K CB 0.009 32.265 32.500 -0.406 0.000 0.722 478 K HN 0.113 nan 8.250 nan 0.000 0.443 479 F N 2.110 122.101 119.950 0.068 0.000 2.472 479 F HA 0.095 4.616 4.527 -0.011 0.000 0.364 479 F C 0.669 176.474 175.800 0.008 0.000 1.090 479 F CA -0.023 58.009 58.000 0.053 0.000 1.188 479 F CB 0.624 39.697 39.000 0.122 0.000 1.105 479 F HN -0.024 nan 8.300 nan 0.000 0.536 480 Q N 1.951 121.782 119.800 0.052 0.000 2.892 480 Q HA 0.427 4.761 4.340 -0.010 0.000 0.307 480 Q C -1.183 174.779 176.000 -0.064 0.000 1.039 480 Q CA -1.329 54.459 55.803 -0.025 0.000 0.792 480 Q CB 2.903 31.575 28.738 -0.111 0.000 1.504 480 Q HN 0.644 nan 8.270 nan 0.000 0.487 481 N N 0.197 118.836 118.700 -0.102 0.000 2.242 481 N HA 0.284 5.018 4.740 -0.010 0.000 0.292 481 N C -1.631 173.780 175.510 -0.166 0.000 1.125 481 N CA -0.411 52.577 53.050 -0.102 0.000 0.783 481 N CB 1.435 39.884 38.487 -0.063 0.000 1.558 481 N HN 0.307 nan 8.380 nan 0.000 0.472 482 K N 2.510 122.819 120.400 -0.151 0.000 2.764 482 K HA 0.175 4.489 4.320 -0.010 0.000 0.239 482 K C -1.086 175.521 176.600 0.011 0.000 1.048 482 K CA -0.471 55.700 56.287 -0.192 0.000 1.057 482 K CB 1.185 33.348 32.500 -0.563 0.000 1.251 482 K HN 0.560 nan 8.250 nan 0.000 0.524 483 T N 2.073 116.653 114.554 0.043 0.000 2.908 483 T HA 0.053 4.396 4.350 -0.010 0.000 0.301 483 T C 0.820 175.647 174.700 0.212 0.000 1.019 483 T CA 0.385 62.561 62.100 0.127 0.000 1.152 483 T CB 0.275 69.222 68.868 0.131 0.000 0.966 483 T HN 0.346 nan 8.240 nan 0.000 0.540 484 N N 0.592 119.433 118.700 0.236 0.000 2.267 484 N HA 0.407 5.141 4.740 -0.010 0.000 0.226 484 N C 0.501 176.192 175.510 0.302 0.000 1.314 484 N CA -0.187 53.032 53.050 0.281 0.000 0.887 484 N CB 0.379 38.969 38.487 0.172 0.000 1.120 484 N HN 0.762 nan 8.380 nan 0.000 0.440 485 G N -0.745 108.238 108.800 0.304 0.000 2.645 485 G HA2 0.608 4.562 3.960 -0.010 0.000 0.292 485 G HA3 0.608 4.562 3.960 -0.010 0.000 0.292 485 G C -1.467 173.565 174.900 0.221 0.000 1.415 485 G CA -0.748 44.524 45.100 0.287 0.000 0.785 485 G HN 0.593 nan 8.290 nan 0.000 0.483 486 I N -2.479 118.212 120.570 0.203 0.000 2.934 486 I HA 0.757 4.921 4.170 -0.010 0.000 0.306 486 I C -0.198 176.087 176.117 0.279 0.000 1.110 486 I CA -1.008 60.411 61.300 0.199 0.000 1.019 486 I CB 2.440 40.450 38.000 0.017 0.000 1.227 486 I HN 0.481 nan 8.210 nan 0.000 0.434 487 T N 3.844 118.622 114.554 0.373 0.000 2.761 487 T HA 0.373 4.717 4.350 -0.010 0.000 0.296 487 T C -1.437 173.375 174.700 0.187 0.000 0.934 487 T CA -1.697 60.531 62.100 0.214 0.000 1.091 487 T CB 0.777 69.707 68.868 0.102 0.000 0.896 487 T HN 0.621 nan 8.240 nan 0.000 0.515 488 P HA 0.009 nan 4.420 nan 0.000 0.230 488 P C 1.132 178.394 177.300 -0.063 0.000 1.158 488 P CA 0.444 63.576 63.100 0.053 0.000 0.769 488 P CB 0.364 32.077 31.700 0.022 0.000 0.807 489 R N 0.382 120.794 120.500 -0.148 0.000 2.056 489 R HA 0.009 4.342 4.340 -0.010 0.000 0.227 489 R C 2.726 178.900 176.300 -0.210 0.000 1.149 489 R CA 1.568 57.534 56.100 -0.224 0.000 0.937 489 R CB -1.113 29.053 30.300 -0.223 0.000 0.835 489 R HN 0.044 nan 8.270 nan 0.000 0.430 490 R N -0.779 119.535 120.500 -0.310 0.000 2.090 490 R HA -0.103 4.231 4.340 -0.010 0.000 0.228 490 R C 1.100 177.053 176.300 -0.578 0.000 1.110 490 R CA 1.475 57.250 56.100 -0.542 0.000 0.973 490 R CB -0.189 29.601 30.300 -0.851 0.000 0.869 490 R HN 0.300 nan 8.270 nan 0.000 0.440 491 W N 0.123 121.377 121.300 -0.077 0.000 3.377 491 W HA 0.128 4.781 4.660 -0.011 0.000 0.277 491 W C 0.943 177.429 176.519 -0.056 0.000 1.311 491 W CA -0.674 56.625 57.345 -0.076 0.000 1.703 491 W CB 0.387 29.808 29.460 -0.065 0.000 1.095 491 W HN 0.250 nan 8.180 nan 0.000 0.715 492 L N -2.582 118.697 121.223 0.093 0.000 2.208 492 L HA 0.146 4.479 4.340 -0.010 0.000 0.133 492 L C 1.740 178.627 176.870 0.028 0.000 1.385 492 L CA 0.660 55.550 54.840 0.083 0.000 1.030 492 L CB -0.862 41.268 42.059 0.119 0.000 2.075 492 L HN -0.272 nan 8.230 nan 0.000 0.482 493 V N 1.299 121.206 119.914 -0.012 0.000 2.332 493 V HA -0.283 3.831 4.120 -0.010 0.000 0.248 493 V C 2.442 178.511 176.094 -0.042 0.000 1.055 493 V CA 2.547 64.831 62.300 -0.027 0.000 1.038 493 V CB -0.715 31.062 31.823 -0.077 0.000 0.651 493 V HN 0.515 nan 8.190 nan 0.000 0.450 494 L N 0.422 121.592 121.223 -0.089 0.000 2.023 494 L HA -0.174 4.160 4.340 -0.010 0.000 0.205 494 L C 2.486 179.301 176.870 -0.093 0.000 1.073 494 L CA 2.338 57.111 54.840 -0.112 0.000 0.745 494 L CB -0.267 41.673 42.059 -0.198 0.000 0.900 494 L HN 0.648 nan 8.230 nan 0.000 0.435 495 C N -1.826 117.418 119.300 -0.093 0.000 2.563 495 C HA 0.210 4.663 4.460 -0.010 0.000 0.268 495 C C 1.135 176.116 174.990 -0.014 0.000 1.365 495 C CA -0.351 58.634 59.018 -0.056 0.000 1.754 495 C CB -1.040 26.677 27.740 -0.039 0.000 1.932 495 C HN 0.575 nan 8.230 nan 0.000 0.536 496 N N 1.117 119.818 118.700 0.002 0.000 2.733 496 N HA 0.284 5.018 4.740 -0.010 0.000 0.271 496 N C -1.889 173.636 175.510 0.024 0.000 1.720 496 N CA -1.471 51.589 53.050 0.017 0.000 0.803 496 N CB 0.899 39.404 38.487 0.030 0.000 1.208 496 N HN 0.230 nan 8.380 nan 0.000 0.498 497 P HA -0.015 nan 4.420 nan 0.000 0.219 497 P C 1.399 178.717 177.300 0.029 0.000 1.150 497 P CA 0.844 63.958 63.100 0.023 0.000 0.814 497 P CB 0.254 31.961 31.700 0.011 0.000 0.787 498 G N 0.573 109.385 108.800 0.020 0.000 2.442 498 G HA2 -0.240 3.714 3.960 -0.010 0.000 0.219 498 G HA3 -0.240 3.714 3.960 -0.010 0.000 0.219 498 G C 1.505 176.413 174.900 0.014 0.000 1.141 498 G CA 0.667 45.775 45.100 0.014 0.000 0.763 498 G HN 0.268 nan 8.290 nan 0.000 0.554 499 L N 1.007 122.240 121.223 0.018 0.000 2.131 499 L HA 0.361 4.695 4.340 -0.010 0.000 0.206 499 L C 2.990 179.892 176.870 0.054 0.000 1.087 499 L CA 1.881 56.730 54.840 0.014 0.000 0.767 499 L CB -0.596 41.472 42.059 0.015 0.000 0.917 499 L HN 0.194 nan 8.230 nan 0.000 0.441 500 A N -0.641 122.233 122.820 0.090 0.000 1.933 500 A HA -0.233 4.081 4.320 -0.010 0.000 0.218 500 A C 2.223 179.907 177.584 0.166 0.000 1.175 500 A CA 1.732 53.874 52.037 0.175 0.000 0.628 500 A CB -0.625 18.469 19.000 0.156 0.000 0.814 500 A HN 0.551 nan 8.150 nan 0.000 0.444 501 E N 0.786 121.044 120.200 0.097 0.000 2.028 501 E HA -0.161 4.183 4.350 -0.010 0.000 0.191 501 E C 1.864 178.507 176.600 0.071 0.000 0.988 501 E CA 1.616 58.063 56.400 0.079 0.000 0.799 501 E CB -0.523 29.205 29.700 0.046 0.000 0.755 501 E HN 0.725 nan 8.360 nan 0.000 0.447 502 I N -1.563 119.042 120.570 0.058 0.000 2.361 502 I HA -0.157 4.007 4.170 -0.010 0.000 0.251 502 I C 2.178 178.376 176.117 0.135 0.000 1.133 502 I CA 1.175 62.523 61.300 0.080 0.000 1.413 502 I CB -0.375 37.646 38.000 0.036 0.000 1.073 502 I HN 0.039 nan 8.210 nan 0.000 0.424 503 I N 2.008 122.637 120.570 0.098 0.000 2.202 503 I HA -0.214 3.949 4.170 -0.010 0.000 0.242 503 I C 3.016 179.089 176.117 -0.074 0.000 1.091 503 I CA 1.426 62.721 61.300 -0.009 0.000 1.368 503 I CB -0.460 37.419 38.000 -0.201 0.000 1.058 503 I HN 0.313 nan 8.210 nan 0.000 0.410 504 A N 0.132 122.992 122.820 0.068 0.000 1.972 504 A HA -0.230 4.084 4.320 -0.010 0.000 0.219 504 A C 2.172 179.785 177.584 0.050 0.000 1.169 504 A CA 1.570 53.695 52.037 0.147 0.000 0.635 504 A CB -0.578 18.551 19.000 0.216 0.000 0.810 504 A HN 0.429 nan 8.150 nan 0.000 0.446 505 E N -0.658 119.555 120.200 0.021 0.000 2.160 505 E HA -0.203 4.141 4.350 -0.010 0.000 0.195 505 E C 2.261 178.824 176.600 -0.061 0.000 0.991 505 E CA 1.272 57.669 56.400 -0.004 0.000 0.810 505 E CB -0.002 29.701 29.700 0.006 0.000 0.742 505 E HN 0.536 nan 8.360 nan 0.000 0.466 506 R N -0.111 120.294 120.500 -0.159 0.000 2.123 506 R HA 0.083 4.417 4.340 -0.010 0.000 0.209 506 R C 2.292 178.495 176.300 -0.161 0.000 1.078 506 R CA 0.841 56.762 56.100 -0.297 0.000 1.028 506 R CB -0.227 29.559 30.300 -0.857 0.000 0.939 506 R HN 0.292 nan 8.270 nan 0.000 0.463 507 I N -2.421 118.070 120.570 -0.132 0.000 4.025 507 I HA 0.443 4.607 4.170 -0.010 0.000 0.336 507 I C 0.410 176.563 176.117 0.060 0.000 1.390 507 I CA 0.036 61.319 61.300 -0.027 0.000 1.099 507 I CB 0.824 38.790 38.000 -0.057 0.000 1.049 507 I HN 0.192 nan 8.210 nan 0.000 0.394 508 G N 1.894 110.743 108.800 0.082 0.000 2.728 508 G HA2 -0.210 3.744 3.960 -0.010 0.000 0.294 508 G HA3 -0.210 3.744 3.960 -0.010 0.000 0.294 508 G C -0.067 174.984 174.900 0.252 0.000 1.342 508 G CA 0.116 45.295 45.100 0.131 0.000 0.866 508 G HN 0.423 nan 8.290 nan 0.000 0.534 509 E N -0.080 120.216 120.200 0.160 0.000 2.452 509 E HA 0.086 4.429 4.350 -0.010 0.000 0.197 509 E C 2.018 178.595 176.600 -0.040 0.000 1.022 509 E CA 0.479 56.921 56.400 0.069 0.000 0.890 509 E CB 0.197 29.920 29.700 0.038 0.000 0.918 509 E HN 0.660 nan 8.360 nan 0.000 0.496 510 E N 0.424 120.664 120.200 0.066 0.000 2.267 510 E HA -0.222 4.121 4.350 -0.010 0.000 0.197 510 E C 1.610 178.218 176.600 0.013 0.000 0.998 510 E CA 1.087 57.513 56.400 0.043 0.000 0.830 510 E CB -0.254 29.490 29.700 0.074 0.000 0.751 510 E HN 0.519 nan 8.360 nan 0.000 0.491 511 Y N -0.236 120.076 120.300 0.020 0.000 2.497 511 Y HA -0.080 4.465 4.550 -0.009 0.000 0.292 511 Y C 1.811 177.696 175.900 -0.023 0.000 1.137 511 Y CA 0.332 58.435 58.100 0.006 0.000 1.285 511 Y CB -0.260 38.206 38.460 0.011 0.000 0.991 511 Y HN -0.074 nan 8.280 nan 0.000 0.556 512 I N 1.156 121.234 120.570 -0.820 0.000 2.335 512 I HA -0.218 3.946 4.170 -0.010 0.000 0.251 512 I C 1.524 177.395 176.117 -0.410 0.000 1.129 512 I CA 1.768 62.651 61.300 -0.695 0.000 1.402 512 I CB -1.368 36.162 38.000 -0.784 0.000 1.069 512 I HN 0.503 nan 8.210 nan 0.000 0.424 513 S N -1.354 114.215 115.700 -0.219 0.000 2.663 513 S HA 0.222 4.686 4.470 -0.010 0.000 0.243 513 S C 0.215 174.803 174.600 -0.020 0.000 1.009 513 S CA -0.428 57.719 58.200 -0.089 0.000 0.988 513 S CB 0.405 63.625 63.200 0.034 0.000 0.896 513 S HN 0.304 nan 8.310 nan 0.000 0.502 514 D N 0.886 121.281 120.400 -0.008 0.000 3.285 514 D HA 0.220 4.854 4.640 -0.010 0.000 0.273 514 D C 0.714 177.063 176.300 0.082 0.000 1.295 514 D CA -0.335 53.687 54.000 0.036 0.000 0.762 514 D CB -0.189 40.638 40.800 0.045 0.000 1.379 514 D HN 0.102 nan 8.370 nan 0.000 0.612 515 L N 0.337 121.608 121.223 0.081 0.000 2.189 515 L HA -0.166 4.168 4.340 -0.010 0.000 0.214 515 L C 1.115 178.046 176.870 0.102 0.000 1.097 515 L CA 1.320 56.239 54.840 0.132 0.000 0.764 515 L CB 0.025 42.149 42.059 0.108 0.000 0.900 515 L HN 0.311 nan 8.230 nan 0.000 0.436 516 D N -0.319 120.115 120.400 0.057 0.000 2.182 516 D HA -0.227 4.407 4.640 -0.010 0.000 0.201 516 D C 2.031 178.357 176.300 0.043 0.000 0.986 516 D CA 0.980 54.999 54.000 0.031 0.000 0.847 516 D CB -0.051 40.754 40.800 0.009 0.000 0.942 516 D HN 0.500 nan 8.370 nan 0.000 0.467 517 Q N -0.255 119.589 119.800 0.072 0.000 2.508 517 Q HA -0.105 4.229 4.340 -0.010 0.000 0.214 517 Q C 1.723 177.745 176.000 0.038 0.000 0.979 517 Q CA 0.064 55.908 55.803 0.069 0.000 0.911 517 Q CB 0.077 28.884 28.738 0.116 0.000 0.969 517 Q HN 0.187 nan 8.270 nan 0.000 0.504 518 L N 0.595 121.838 121.223 0.032 0.000 2.265 518 L HA -0.151 4.183 4.340 -0.010 0.000 0.215 518 L C 2.032 178.902 176.870 0.000 0.000 1.117 518 L CA 1.495 56.321 54.840 -0.023 0.000 0.782 518 L CB -0.437 41.627 42.059 0.009 0.000 0.914 518 L HN 0.133 nan 8.230 nan 0.000 0.441 519 R N -0.499 120.011 120.500 0.016 0.000 2.127 519 R HA -0.185 4.149 4.340 -0.010 0.000 0.238 519 R C 1.992 178.300 176.300 0.014 0.000 1.134 519 R CA 1.057 57.167 56.100 0.016 0.000 0.975 519 R CB -0.239 30.066 30.300 0.008 0.000 0.865 519 R HN 0.395 nan 8.270 nan 0.000 0.447 520 K N 0.607 121.015 120.400 0.013 0.000 2.286 520 K HA -0.131 4.183 4.320 -0.010 0.000 0.203 520 K C 1.854 178.496 176.600 0.070 0.000 1.045 520 K CA 0.883 57.184 56.287 0.025 0.000 0.935 520 K CB -0.103 32.418 32.500 0.036 0.000 0.737 520 K HN 0.259 nan 8.250 nan 0.000 0.460 521 L N 0.494 121.750 121.223 0.054 0.000 2.465 521 L HA -0.120 4.214 4.340 -0.010 0.000 0.224 521 L C 1.896 178.836 176.870 0.116 0.000 1.145 521 L CA -0.007 54.888 54.840 0.092 0.000 0.834 521 L CB -0.186 41.889 42.059 0.027 0.000 0.944 521 L HN 0.122 nan 8.230 nan 0.000 0.451 522 L N 0.105 121.359 121.223 0.052 0.000 2.127 522 L HA -0.189 4.145 4.340 -0.010 0.000 0.211 522 L C 2.639 179.492 176.870 -0.028 0.000 1.089 522 L CA 1.911 56.766 54.840 0.026 0.000 0.757 522 L CB -0.825 41.236 42.059 0.004 0.000 0.899 522 L HN 0.337 nan 8.230 nan 0.000 0.434 523 S N -2.825 112.803 115.700 -0.120 0.000 2.660 523 S HA -0.047 4.417 4.470 -0.010 0.000 0.223 523 S C 1.099 175.414 174.600 -0.474 0.000 0.963 523 S CA 0.148 58.172 58.200 -0.293 0.000 0.932 523 S CB -0.514 62.451 63.200 -0.391 0.000 0.775 523 S HN 0.460 nan 8.310 nan 0.000 0.531 524 Y N -0.607 119.622 120.300 -0.118 0.000 2.557 524 Y HA 0.417 4.964 4.550 -0.004 0.000 0.247 524 Y C 1.876 177.800 175.900 0.039 0.000 1.164 524 Y CA -0.642 57.381 58.100 -0.129 0.000 1.218 524 Y CB 0.177 38.352 38.460 -0.475 0.000 1.210 524 Y HN 0.255 nan 8.280 nan 0.000 0.529 525 V N 0.544 120.544 119.914 0.143 0.000 2.688 525 V HA -0.229 3.885 4.120 -0.010 0.000 0.256 525 V C 0.813 176.977 176.094 0.116 0.000 1.084 525 V CA 2.320 64.708 62.300 0.146 0.000 1.103 525 V CB -0.033 31.838 31.823 0.079 0.000 0.688 525 V HN 0.355 nan 8.190 nan 0.000 0.480 526 D N -0.954 119.496 120.400 0.083 0.000 2.431 526 D HA 0.134 4.768 4.640 -0.010 0.000 0.213 526 D C 0.294 176.643 176.300 0.083 0.000 1.130 526 D CA -0.084 53.954 54.000 0.064 0.000 0.834 526 D CB 0.134 40.948 40.800 0.023 0.000 0.985 526 D HN 0.433 nan 8.370 nan 0.000 0.504 527 D N 1.560 122.043 120.400 0.139 0.000 2.339 527 D HA -0.034 4.600 4.640 -0.010 0.000 0.256 527 D C 1.222 177.624 176.300 0.171 0.000 1.214 527 D CA 0.051 54.154 54.000 0.171 0.000 0.877 527 D CB 1.610 42.584 40.800 0.289 0.000 1.111 527 D HN -0.229 nan 8.370 nan 0.000 0.478 528 E N 3.327 123.596 120.200 0.114 0.000 2.110 528 E HA -0.129 4.214 4.350 -0.010 0.000 0.193 528 E C 1.664 178.321 176.600 0.095 0.000 0.988 528 E CA 1.323 57.776 56.400 0.087 0.000 0.804 528 E CB -0.146 29.588 29.700 0.058 0.000 0.745 528 E HN 0.596 nan 8.360 nan 0.000 0.458 529 A N -0.462 122.428 122.820 0.117 0.000 1.897 529 A HA -0.107 4.207 4.320 -0.010 0.000 0.215 529 A C 2.272 179.944 177.584 0.147 0.000 1.181 529 A CA 1.151 53.254 52.037 0.110 0.000 0.620 529 A CB -0.918 18.147 19.000 0.108 0.000 0.821 529 A HN 0.388 nan 8.150 nan 0.000 0.443 530 F N 0.341 120.305 119.950 0.023 0.000 2.102 530 F HA -0.157 4.365 4.527 -0.008 0.000 0.298 530 F C 2.085 177.893 175.800 0.012 0.000 1.105 530 F CA 1.615 59.615 58.000 -0.001 0.000 1.239 530 F CB -0.115 38.894 39.000 0.015 0.000 0.991 530 F HN 0.155 nan 8.300 nan 0.000 0.474 531 I N 0.151 120.778 120.570 0.095 0.000 2.151 531 I HA -0.380 3.783 4.170 -0.010 0.000 0.243 531 I C 2.573 178.652 176.117 -0.063 0.000 1.080 531 I CA 1.705 63.002 61.300 -0.003 0.000 1.339 531 I CB -0.454 37.581 38.000 0.058 0.000 1.039 531 I HN 0.103 nan 8.210 nan 0.000 0.409 532 R N 0.729 121.212 120.500 -0.028 0.000 2.081 532 R HA -0.192 4.142 4.340 -0.010 0.000 0.235 532 R C 1.918 178.172 176.300 -0.076 0.000 1.131 532 R CA 1.859 57.936 56.100 -0.038 0.000 0.960 532 R CB -0.120 30.175 30.300 -0.008 0.000 0.856 532 R HN 0.289 nan 8.270 nan 0.000 0.436 533 D N -0.407 119.927 120.400 -0.110 0.000 2.084 533 D HA -0.130 4.504 4.640 -0.010 0.000 0.196 533 D C 1.939 178.110 176.300 -0.214 0.000 0.985 533 D CA 1.397 55.311 54.000 -0.144 0.000 0.826 533 D CB -0.324 40.389 40.800 -0.145 0.000 0.978 533 D HN 0.046 nan 8.370 nan 0.000 0.456 534 V N 1.432 121.120 119.914 -0.376 0.000 2.324 534 V HA -0.288 3.826 4.120 -0.010 0.000 0.250 534 V C 2.460 178.460 176.094 -0.157 0.000 1.060 534 V CA 2.025 64.119 62.300 -0.343 0.000 1.042 534 V CB -0.810 30.744 31.823 -0.448 0.000 0.650 534 V HN 0.214 nan 8.190 nan 0.000 0.450 535 A N -0.886 121.864 122.820 -0.118 0.000 2.015 535 A HA -0.208 4.106 4.320 -0.010 0.000 0.219 535 A C 2.355 179.902 177.584 -0.061 0.000 1.163 535 A CA 1.878 53.879 52.037 -0.061 0.000 0.646 535 A CB -0.393 18.576 19.000 -0.052 0.000 0.806 535 A HN 0.533 nan 8.150 nan 0.000 0.448 536 K N 0.234 120.592 120.400 -0.069 0.000 2.062 536 K HA -0.083 4.231 4.320 -0.010 0.000 0.205 536 K C 1.946 178.520 176.600 -0.044 0.000 1.051 536 K CA 1.577 57.833 56.287 -0.052 0.000 0.941 536 K CB -0.278 32.193 32.500 -0.047 0.000 0.719 536 K HN 0.410 nan 8.250 nan 0.000 0.440 537 V N -0.195 119.687 119.914 -0.053 0.000 2.515 537 V HA -0.146 3.967 4.120 -0.010 0.000 0.250 537 V C 2.186 178.267 176.094 -0.022 0.000 1.058 537 V CA 1.876 64.155 62.300 -0.034 0.000 1.064 537 V CB -0.572 31.227 31.823 -0.040 0.000 0.675 537 V HN 0.169 nan 8.190 nan 0.000 0.461 538 K N 0.805 121.189 120.400 -0.027 0.000 2.097 538 K HA -0.174 4.140 4.320 -0.010 0.000 0.205 538 K C 2.259 178.838 176.600 -0.035 0.000 1.050 538 K CA 2.076 58.355 56.287 -0.013 0.000 0.938 538 K CB -0.616 31.888 32.500 0.008 0.000 0.718 538 K HN 0.546 nan 8.250 nan 0.000 0.442 539 Q N 0.949 120.722 119.800 -0.046 0.000 2.119 539 Q HA -0.055 4.279 4.340 -0.010 0.000 0.201 539 Q C 1.595 177.578 176.000 -0.029 0.000 0.972 539 Q CA 1.785 57.552 55.803 -0.060 0.000 0.847 539 Q CB -0.014 28.691 28.738 -0.056 0.000 0.903 539 Q HN 0.513 nan 8.270 nan 0.000 0.433 540 E N -0.608 119.586 120.200 -0.010 0.000 2.106 540 E HA -0.122 4.222 4.350 -0.010 0.000 0.192 540 E C 1.643 178.266 176.600 0.039 0.000 0.984 540 E CA 0.847 57.255 56.400 0.013 0.000 0.806 540 E CB 0.028 29.734 29.700 0.010 0.000 0.750 540 E HN 0.369 nan 8.360 nan 0.000 0.458 541 N N 0.923 119.644 118.700 0.035 0.000 2.120 541 N HA -0.138 4.596 4.740 -0.010 0.000 0.188 541 N C 1.407 176.994 175.510 0.129 0.000 1.024 541 N CA 1.094 54.184 53.050 0.068 0.000 0.852 541 N CB -0.041 38.471 38.487 0.041 0.000 1.003 541 N HN 0.113 nan 8.380 nan 0.000 0.424 542 K N 0.323 120.766 120.400 0.072 0.000 2.097 542 K HA 0.041 4.355 4.320 -0.010 0.000 0.205 542 K C 2.001 178.719 176.600 0.196 0.000 1.050 542 K CA 0.560 56.909 56.287 0.104 0.000 0.938 542 K CB -0.088 32.228 32.500 -0.308 0.000 0.718 542 K HN 0.118 nan 8.250 nan 0.000 0.442 543 L N 1.057 122.343 121.223 0.104 0.000 2.093 543 L HA -0.141 4.192 4.340 -0.010 0.000 0.208 543 L C 2.579 179.535 176.870 0.143 0.000 1.085 543 L CA 1.060 55.965 54.840 0.107 0.000 0.755 543 L CB -0.204 41.893 42.059 0.062 0.000 0.904 543 L HN 0.094 nan 8.230 nan 0.000 0.435 544 K N -0.373 120.121 120.400 0.157 0.000 2.057 544 K HA -0.176 4.137 4.320 -0.010 0.000 0.206 544 K C 2.154 178.898 176.600 0.240 0.000 1.050 544 K CA 1.425 57.813 56.287 0.169 0.000 0.935 544 K CB -0.166 32.422 32.500 0.147 0.000 0.715 544 K HN 0.122 nan 8.250 nan 0.000 0.439 545 F N 1.410 121.449 119.950 0.148 0.000 2.206 545 F HA -0.063 4.457 4.527 -0.010 0.000 0.298 545 F C 2.053 177.986 175.800 0.222 0.000 1.090 545 F CA 1.131 59.233 58.000 0.170 0.000 1.323 545 F CB -0.382 38.716 39.000 0.163 0.000 1.028 545 F HN 0.002 nan 8.300 nan 0.000 0.492 546 A N 0.152 123.087 122.820 0.193 0.000 1.972 546 A HA -0.038 4.275 4.320 -0.010 0.000 0.219 546 A C 2.383 179.968 177.584 0.003 0.000 1.169 546 A CA 1.702 53.781 52.037 0.069 0.000 0.635 546 A CB -1.403 17.694 19.000 0.162 0.000 0.810 546 A HN 0.456 nan 8.150 nan 0.000 0.446 547 A N -1.269 121.588 122.820 0.062 0.000 1.854 547 A HA -0.040 4.274 4.320 -0.010 0.000 0.214 547 A C 2.123 179.728 177.584 0.034 0.000 1.192 547 A CA 1.485 53.557 52.037 0.058 0.000 0.611 547 A CB -0.925 18.126 19.000 0.085 0.000 0.832 547 A HN 0.777 nan 8.150 nan 0.000 0.442 548 Y N 0.099 120.348 120.300 -0.084 0.000 2.256 548 Y HA -0.198 4.346 4.550 -0.010 0.000 0.288 548 Y C 1.829 177.646 175.900 -0.137 0.000 1.155 548 Y CA 1.560 59.601 58.100 -0.098 0.000 1.203 548 Y CB -0.277 38.136 38.460 -0.077 0.000 0.980 548 Y HN 0.188 nan 8.280 nan 0.000 0.530 549 L N 0.796 121.957 121.223 -0.103 0.000 2.046 549 L HA -0.173 4.161 4.340 -0.010 0.000 0.208 549 L C 2.314 179.140 176.870 -0.074 0.000 1.077 549 L CA 1.934 56.701 54.840 -0.121 0.000 0.747 549 L CB -1.020 40.896 42.059 -0.238 0.000 0.896 549 L HN 0.332 nan 8.230 nan 0.000 0.432 550 E N -1.500 118.661 120.200 -0.066 0.000 2.158 550 E HA -0.140 4.204 4.350 -0.010 0.000 0.191 550 E C 2.282 178.834 176.600 -0.079 0.000 0.982 550 E CA 0.355 56.740 56.400 -0.026 0.000 0.823 550 E CB 0.098 29.817 29.700 0.032 0.000 0.766 550 E HN 0.353 nan 8.360 nan 0.000 0.468 551 R N 0.761 121.180 120.500 -0.135 0.000 2.096 551 R HA -0.169 4.165 4.340 -0.010 0.000 0.229 551 R C 1.976 178.113 176.300 -0.272 0.000 1.134 551 R CA 1.682 57.677 56.100 -0.175 0.000 0.917 551 R CB -0.049 30.140 30.300 -0.185 0.000 0.832 551 R HN -0.008 nan 8.270 nan 0.000 0.430 552 E N -1.754 118.151 120.200 -0.491 0.000 2.385 552 E HA -0.048 4.296 4.350 -0.010 0.000 0.194 552 E C 0.671 176.805 176.600 -0.777 0.000 1.013 552 E CA 0.733 56.719 56.400 -0.690 0.000 0.866 552 E CB 0.431 29.508 29.700 -1.038 0.000 0.832 552 E HN 0.372 nan 8.360 nan 0.000 0.500 553 Y N -0.019 120.155 120.300 -0.211 0.000 2.452 553 Y HA 0.283 4.826 4.550 -0.011 0.000 0.262 553 Y C -0.392 175.471 175.900 -0.061 0.000 1.089 553 Y CA -0.466 57.572 58.100 -0.104 0.000 1.262 553 Y CB 0.698 39.108 38.460 -0.083 0.000 1.236 553 Y HN -0.330 nan 8.280 nan 0.000 0.512 554 K N 1.081 121.508 120.400 0.046 0.000 6.088 554 K HA -0.081 4.233 4.320 -0.010 0.000 0.624 554 K C -0.515 176.124 176.600 0.064 0.000 1.685 554 K CA 0.975 57.285 56.287 0.039 0.000 1.516 554 K CB -1.397 31.113 32.500 0.017 0.000 1.815 554 K HN 0.396 nan 8.250 nan 0.000 0.319 555 V N -2.596 117.361 119.914 0.071 0.000 5.914 555 V HA -0.006 4.107 4.120 -0.010 0.000 0.826 555 V C -0.131 176.037 176.094 0.122 0.000 2.320 555 V CA -0.013 62.340 62.300 0.089 0.000 4.312 555 V CB -1.168 30.703 31.823 0.079 0.000 0.128 555 V HN 1.022 nan 8.190 nan 0.000 0.619 556 H N 1.163 120.237 119.070 0.007 0.000 2.892 556 H HA -0.086 4.464 4.556 -0.010 0.000 0.274 556 H C -0.335 174.996 175.328 0.004 0.000 0.794 556 H CA 1.884 57.937 56.048 0.009 0.000 1.128 556 H CB 0.095 29.867 29.762 0.017 0.000 1.126 556 H HN 1.337 nan 8.280 nan 0.000 0.623 557 I N 0.218 120.422 120.570 -0.610 0.000 3.004 557 I HA 0.377 4.541 4.170 -0.010 0.000 0.305 557 I C -0.750 175.114 176.117 -0.422 0.000 1.312 557 I CA -1.277 59.816 61.300 -0.345 0.000 0.992 557 I CB 2.150 40.037 38.000 -0.188 0.000 1.282 557 I HN 0.620 nan 8.210 nan 0.000 0.449 558 N N 4.396 123.037 118.700 -0.099 0.000 2.439 558 N HA 0.475 5.208 4.740 -0.010 0.000 0.249 558 N C -2.101 173.490 175.510 0.135 0.000 1.003 558 N CA -2.537 50.521 53.050 0.014 0.000 0.942 558 N CB 1.241 39.764 38.487 0.061 0.000 1.115 558 N HN 0.375 nan 8.380 nan 0.000 0.505 559 P HA 0.045 nan 4.420 nan 0.000 0.239 559 P C -0.123 177.124 177.300 -0.088 0.000 1.184 559 P CA 0.938 64.063 63.100 0.042 0.000 0.760 559 P CB 0.152 31.875 31.700 0.039 0.000 0.884 560 N N -1.225 117.469 118.700 -0.010 0.000 2.299 560 N HA 0.013 4.747 4.740 -0.010 0.000 0.187 560 N C 0.487 176.005 175.510 0.013 0.000 1.099 560 N CA -0.127 52.915 53.050 -0.014 0.000 0.867 560 N CB 0.153 38.652 38.487 0.020 0.000 0.974 560 N HN 0.141 nan 8.380 nan 0.000 0.477 561 S N 0.104 115.817 115.700 0.020 0.000 2.655 561 S HA 0.234 4.697 4.470 -0.010 0.000 0.265 561 S C 0.014 174.550 174.600 -0.106 0.000 1.240 561 S CA -0.861 57.343 58.200 0.007 0.000 0.986 561 S CB 1.019 64.253 63.200 0.056 0.000 0.985 561 S HN 0.136 nan 8.310 nan 0.000 0.562 562 L N 1.287 122.322 121.223 -0.313 0.000 2.319 562 L HA 0.401 4.735 4.340 -0.010 0.000 0.280 562 L C -0.996 175.842 176.870 -0.054 0.000 1.099 562 L CA -0.594 53.873 54.840 -0.623 0.000 0.828 562 L CB -0.018 41.434 42.059 -1.011 0.000 1.150 562 L HN 0.695 nan 8.230 nan 0.000 0.442 563 F N 4.081 123.888 119.950 -0.238 0.000 2.368 563 F HA 0.106 4.627 4.527 -0.009 0.000 0.362 563 F C 0.368 176.091 175.800 -0.128 0.000 1.137 563 F CA -0.844 57.083 58.000 -0.122 0.000 1.161 563 F CB 0.632 39.607 39.000 -0.042 0.000 1.265 563 F HN 0.508 nan 8.300 nan 0.000 0.530 564 D N 4.953 125.351 120.400 -0.003 0.000 2.428 564 D HA 0.203 4.837 4.640 -0.010 0.000 0.221 564 D C -0.964 175.272 176.300 -0.106 0.000 1.123 564 D CA 0.023 53.976 54.000 -0.078 0.000 0.869 564 D CB 1.194 41.937 40.800 -0.095 0.000 1.032 564 D HN 0.255 nan 8.370 nan 0.000 0.506 565 V N 2.790 122.625 119.914 -0.131 0.000 2.604 565 V HA 0.564 4.678 4.120 -0.010 0.000 0.305 565 V C -1.273 174.681 176.094 -0.234 0.000 1.043 565 V CA -0.700 61.507 62.300 -0.156 0.000 0.888 565 V CB 1.907 33.681 31.823 -0.081 0.000 0.995 565 V HN 0.485 nan 8.190 nan 0.000 0.429 566 Q N 4.453 124.130 119.800 -0.205 0.000 2.394 566 Q HA 0.667 5.001 4.340 -0.010 0.000 0.261 566 Q C -1.451 174.396 176.000 -0.256 0.000 1.023 566 Q CA -0.651 55.021 55.803 -0.219 0.000 0.720 566 Q CB 1.856 30.492 28.738 -0.170 0.000 1.241 566 Q HN 1.129 nan 8.270 nan 0.000 0.483 567 V N 2.208 121.952 119.914 -0.283 0.000 2.483 567 V HA 0.857 4.971 4.120 -0.010 0.000 0.297 567 V C -0.834 174.976 176.094 -0.473 0.000 1.027 567 V CA -0.585 61.358 62.300 -0.594 0.000 0.855 567 V CB 1.285 32.542 31.823 -0.945 0.000 0.995 567 V HN 0.815 nan 8.190 nan 0.000 0.424 568 K N 2.705 122.882 120.400 -0.371 0.000 2.999 568 K HA 0.394 4.708 4.320 -0.010 0.000 0.295 568 K C -1.286 175.332 176.600 0.030 0.000 1.082 568 K CA -1.033 55.230 56.287 -0.040 0.000 0.816 568 K CB 0.962 33.433 32.500 -0.049 0.000 1.492 568 K HN 0.485 nan 8.250 nan 0.000 0.362 569 R N 0.668 121.241 120.500 0.122 0.000 2.756 569 R HA 0.203 4.537 4.340 -0.010 0.000 0.264 569 R C 0.404 176.734 176.300 0.050 0.000 1.026 569 R CA -0.309 55.869 56.100 0.129 0.000 1.121 569 R CB -0.148 30.272 30.300 0.199 0.000 0.999 569 R HN 0.475 nan 8.270 nan 0.000 0.449 570 I N 3.803 124.376 120.570 0.005 0.000 2.396 570 I HA 0.135 4.299 4.170 -0.010 0.000 0.289 570 I C 0.611 176.613 176.117 -0.192 0.000 1.056 570 I CA 0.461 61.707 61.300 -0.089 0.000 1.365 570 I CB 0.039 37.973 38.000 -0.109 0.000 1.407 570 I HN 0.275 nan 8.210 nan 0.000 0.509 571 H N 4.303 123.279 119.070 -0.156 0.000 2.996 571 H HA 0.220 4.770 4.556 -0.011 0.000 0.368 571 H C 0.401 175.610 175.328 -0.197 0.000 1.185 571 H CA -0.442 55.548 56.048 -0.097 0.000 1.160 571 H CB 2.098 31.733 29.762 -0.213 0.000 1.820 571 H HN 0.536 nan 8.280 nan 0.000 0.547 572 E N 1.405 121.673 120.200 0.115 0.000 2.153 572 E HA -0.197 4.147 4.350 -0.010 0.000 0.194 572 E C 1.350 177.697 176.600 -0.422 0.000 0.988 572 E CA 1.360 57.746 56.400 -0.022 0.000 0.811 572 E CB 0.071 29.942 29.700 0.285 0.000 0.746 572 E HN 0.538 nan 8.360 nan 0.000 0.466 573 Y N 0.632 120.418 120.300 -0.856 0.000 2.439 573 Y HA 0.014 4.557 4.550 -0.011 0.000 0.292 573 Y C 1.477 177.120 175.900 -0.428 0.000 1.130 573 Y CA 0.664 58.106 58.100 -1.097 0.000 1.254 573 Y CB 0.052 37.887 38.460 -1.041 0.000 1.000 573 Y HN -0.207 nan 8.280 nan 0.000 0.554 574 K N 0.991 120.953 120.400 -0.729 0.000 2.366 574 K HA 0.030 4.344 4.320 -0.010 0.000 0.198 574 K C 0.208 176.642 176.600 -0.277 0.000 1.044 574 K CA 0.661 56.627 56.287 -0.535 0.000 0.973 574 K CB -0.132 32.070 32.500 -0.498 0.000 0.767 574 K HN 0.379 nan 8.250 nan 0.000 0.475 575 R N 0.837 121.201 120.500 -0.226 0.000 3.336 575 R HA -0.191 4.143 4.340 -0.010 0.000 0.260 575 R C 0.603 176.823 176.300 -0.134 0.000 1.032 575 R CA 0.230 56.245 56.100 -0.141 0.000 0.693 575 R CB -1.960 28.271 30.300 -0.115 0.000 1.134 575 R HN 0.233 nan 8.270 nan 0.000 0.433 576 Q N 0.179 119.900 119.800 -0.132 0.000 2.226 576 Q HA -0.046 4.288 4.340 -0.010 0.000 0.204 576 Q C 1.846 177.792 176.000 -0.090 0.000 0.975 576 Q CA 1.387 57.124 55.803 -0.110 0.000 0.866 576 Q CB 0.051 28.728 28.738 -0.102 0.000 0.915 576 Q HN 0.593 nan 8.270 nan 0.000 0.440 577 L N -0.588 120.583 121.223 -0.087 0.000 2.083 577 L HA -0.187 4.147 4.340 -0.010 0.000 0.209 577 L C 2.012 178.869 176.870 -0.022 0.000 1.083 577 L CA 0.635 55.436 54.840 -0.065 0.000 0.752 577 L CB -0.324 41.707 42.059 -0.047 0.000 0.899 577 L HN 0.318 nan 8.230 nan 0.000 0.433 578 L N -0.042 121.157 121.223 -0.040 0.000 2.083 578 L HA -0.238 4.096 4.340 -0.010 0.000 0.209 578 L C 2.000 178.871 176.870 0.002 0.000 1.083 578 L CA 1.884 56.700 54.840 -0.039 0.000 0.752 578 L CB -0.768 41.170 42.059 -0.201 0.000 0.899 578 L HN 0.282 nan 8.230 nan 0.000 0.433 579 N N -1.773 116.912 118.700 -0.026 0.000 2.120 579 N HA -0.221 4.512 4.740 -0.010 0.000 0.188 579 N C 1.917 177.503 175.510 0.127 0.000 1.024 579 N CA 1.520 54.633 53.050 0.106 0.000 0.852 579 N CB -0.114 38.384 38.487 0.019 0.000 1.003 579 N HN 0.490 nan 8.380 nan 0.000 0.424 580 C N 0.588 119.901 119.300 0.021 0.000 2.429 580 C HA -0.060 4.394 4.460 -0.010 0.000 0.277 580 C C 2.591 177.583 174.990 0.004 0.000 1.262 580 C CA 0.294 59.284 59.018 -0.046 0.000 1.733 580 C CB -1.272 26.382 27.740 -0.143 0.000 2.010 580 C HN 0.518 nan 8.230 nan 0.000 0.483 581 L N -0.093 121.187 121.223 0.096 0.000 2.042 581 L HA -0.233 4.101 4.340 -0.010 0.000 0.210 581 L C 2.759 179.798 176.870 0.281 0.000 1.076 581 L CA 1.970 56.922 54.840 0.187 0.000 0.749 581 L CB -1.065 41.177 42.059 0.305 0.000 0.893 581 L HN 0.618 nan 8.230 nan 0.000 0.432 582 H N -0.299 118.895 119.070 0.207 0.000 2.357 582 H HA -0.121 4.428 4.556 -0.010 0.000 0.301 582 H C 2.255 177.595 175.328 0.019 0.000 1.082 582 H CA 1.724 57.824 56.048 0.086 0.000 1.342 582 H CB 0.337 30.111 29.762 0.020 0.000 1.389 582 H HN 0.087 nan 8.280 nan 0.000 0.511 583 V N 1.553 121.405 119.914 -0.103 0.000 2.332 583 V HA -0.275 3.839 4.120 -0.010 0.000 0.248 583 V C 2.807 178.844 176.094 -0.095 0.000 1.055 583 V CA 1.899 64.094 62.300 -0.176 0.000 1.038 583 V CB -0.501 31.262 31.823 -0.100 0.000 0.651 583 V HN 0.389 nan 8.190 nan 0.000 0.450 584 I N -0.355 120.197 120.570 -0.031 0.000 2.286 584 I HA -0.218 3.946 4.170 -0.010 0.000 0.248 584 I C 2.481 178.669 176.117 0.118 0.000 1.115 584 I CA 1.677 63.027 61.300 0.083 0.000 1.392 584 I CB -0.589 37.434 38.000 0.039 0.000 1.065 584 I HN 0.315 nan 8.210 nan 0.000 0.418 585 T N 1.058 115.638 114.554 0.044 0.000 2.746 585 T HA -0.138 4.206 4.350 -0.010 0.000 0.267 585 T C 1.865 176.533 174.700 -0.053 0.000 1.039 585 T CA 1.158 63.276 62.100 0.029 0.000 1.142 585 T CB -0.212 68.699 68.868 0.071 0.000 0.866 585 T HN 0.079 nan 8.240 nan 0.000 0.444 586 L N 0.136 121.258 121.223 -0.169 0.000 2.046 586 L HA -0.025 4.308 4.340 -0.010 0.000 0.208 586 L C 2.070 178.911 176.870 -0.049 0.000 1.077 586 L CA 1.597 56.330 54.840 -0.179 0.000 0.747 586 L CB -0.960 40.918 42.059 -0.302 0.000 0.896 586 L HN 0.370 nan 8.230 nan 0.000 0.432 587 Y N 0.101 120.345 120.300 -0.092 0.000 2.145 587 Y HA -0.283 4.261 4.550 -0.011 0.000 0.286 587 Y C 2.451 178.337 175.900 -0.023 0.000 1.145 587 Y CA 1.798 59.881 58.100 -0.028 0.000 1.148 587 Y CB -0.105 38.387 38.460 0.053 0.000 0.981 587 Y HN 0.254 nan 8.280 nan 0.000 0.507 588 N N 0.513 119.189 118.700 -0.041 0.000 2.223 588 N HA -0.154 4.580 4.740 -0.010 0.000 0.185 588 N C 1.796 177.203 175.510 -0.172 0.000 1.016 588 N CA 1.517 54.474 53.050 -0.154 0.000 0.863 588 N CB -0.325 38.134 38.487 -0.047 0.000 0.983 588 N HN 0.444 nan 8.380 nan 0.000 0.429 589 R N 0.184 120.610 120.500 -0.125 0.000 2.090 589 R HA 0.114 4.448 4.340 -0.010 0.000 0.228 589 R C 2.175 178.393 176.300 -0.136 0.000 1.110 589 R CA 0.662 56.695 56.100 -0.112 0.000 0.973 589 R CB -0.182 30.064 30.300 -0.091 0.000 0.869 589 R HN 0.220 nan 8.270 nan 0.000 0.440 590 I N 0.882 121.351 120.570 -0.168 0.000 2.315 590 I HA -0.250 3.914 4.170 -0.010 0.000 0.248 590 I C 1.973 177.974 176.117 -0.193 0.000 1.117 590 I CA 1.149 62.349 61.300 -0.166 0.000 1.404 590 I CB -0.051 37.855 38.000 -0.157 0.000 1.071 590 I HN 0.018 nan 8.210 nan 0.000 0.419 591 K N 0.659 120.883 120.400 -0.294 0.000 2.217 591 K HA -0.167 4.147 4.320 -0.010 0.000 0.202 591 K C 2.011 178.511 176.600 -0.166 0.000 1.051 591 K CA 0.921 57.045 56.287 -0.272 0.000 0.952 591 K CB -0.185 32.071 32.500 -0.407 0.000 0.736 591 K HN 0.129 nan 8.250 nan 0.000 0.453 592 K N 1.932 122.243 120.400 -0.148 0.000 2.076 592 K HA -0.071 4.243 4.320 -0.010 0.000 0.204 592 K C 0.127 176.681 176.600 -0.077 0.000 1.051 592 K CA 1.233 57.459 56.287 -0.102 0.000 0.949 592 K CB 0.315 32.759 32.500 -0.093 0.000 0.726 592 K HN 0.074 nan 8.250 nan 0.000 0.443 593 E N 0.572 120.726 120.200 -0.077 0.000 3.108 593 E HA 0.176 4.520 4.350 -0.010 0.000 0.228 593 E C -2.349 174.218 176.600 -0.056 0.000 1.176 593 E CA -1.760 54.608 56.400 -0.054 0.000 0.881 593 E CB 1.552 31.227 29.700 -0.042 0.000 1.354 593 E HN 0.087 nan 8.360 nan 0.000 0.400 594 P HA -0.173 nan 4.420 nan 0.000 0.216 594 P C 0.365 177.648 177.300 -0.028 0.000 1.153 594 P CA 1.298 64.367 63.100 -0.050 0.000 0.858 594 P CB 0.155 31.830 31.700 -0.043 0.000 0.789 595 N N -1.119 117.573 118.700 -0.012 0.000 2.322 595 N HA 0.015 4.749 4.740 -0.010 0.000 0.216 595 N C 0.426 175.953 175.510 0.028 0.000 1.144 595 N CA 0.065 53.121 53.050 0.009 0.000 0.830 595 N CB -0.092 38.401 38.487 0.010 0.000 1.034 595 N HN 0.065 nan 8.380 nan 0.000 0.484 596 K N 1.014 121.424 120.400 0.017 0.000 2.130 596 K HA 0.161 4.475 4.320 -0.010 0.000 0.268 596 K C -0.948 175.692 176.600 0.066 0.000 0.983 596 K CA -0.613 55.699 56.287 0.042 0.000 0.893 596 K CB 0.687 33.193 32.500 0.010 0.000 1.066 596 K HN -0.023 nan 8.250 nan 0.000 0.450 597 F N 4.717 124.656 119.950 -0.019 0.000 2.456 597 F HA 0.232 4.753 4.527 -0.011 0.000 0.358 597 F C -0.460 175.328 175.800 -0.020 0.000 1.095 597 F CA -0.179 57.811 58.000 -0.017 0.000 1.216 597 F CB 0.665 39.657 39.000 -0.012 0.000 1.125 597 F HN 0.178 nan 8.300 nan 0.000 0.549 598 V N 4.230 123.566 119.914 -0.964 0.000 2.841 598 V HA 0.511 4.624 4.120 -0.010 0.000 0.310 598 V C -0.693 174.812 176.094 -0.982 0.000 1.090 598 V CA -1.236 60.643 62.300 -0.702 0.000 0.930 598 V CB 0.898 32.511 31.823 -0.351 0.000 1.014 598 V HN 0.588 nan 8.190 nan 0.000 0.425 599 V N 5.056 124.653 119.914 -0.528 0.000 2.493 599 V HA 0.168 4.282 4.120 -0.010 0.000 0.292 599 V C -1.788 174.145 176.094 -0.269 0.000 1.016 599 V CA -0.327 61.798 62.300 -0.291 0.000 1.097 599 V CB 0.395 32.172 31.823 -0.076 0.000 0.947 599 V HN 0.905 nan 8.190 nan 0.000 0.479 600 P HA 0.357 nan 4.420 nan 0.000 0.268 600 P C -0.457 176.756 177.300 -0.145 0.000 1.205 600 P CA -0.081 62.931 63.100 -0.146 0.000 0.771 600 P CB 0.549 32.209 31.700 -0.067 0.000 0.858 601 R N 0.880 121.308 120.500 -0.121 0.000 2.725 601 R HA 0.610 4.944 4.340 -0.010 0.000 0.277 601 R C -0.860 175.403 176.300 -0.062 0.000 0.987 601 R CA -0.591 55.441 56.100 -0.113 0.000 0.901 601 R CB 1.983 32.198 30.300 -0.142 0.000 1.207 601 R HN 0.279 nan 8.270 nan 0.000 0.463 602 T N 1.972 116.507 114.554 -0.031 0.000 2.912 602 T HA 0.193 4.537 4.350 -0.010 0.000 0.326 602 T C -0.829 173.791 174.700 -0.134 0.000 1.080 602 T CA -0.536 61.510 62.100 -0.089 0.000 1.000 602 T CB 1.070 69.846 68.868 -0.152 0.000 1.008 602 T HN 0.345 nan 8.240 nan 0.000 0.473 603 V N 5.091 124.932 119.914 -0.121 0.000 2.407 603 V HA 0.691 4.805 4.120 -0.010 0.000 0.278 603 V C -0.522 175.491 176.094 -0.135 0.000 1.037 603 V CA -0.593 61.637 62.300 -0.116 0.000 0.900 603 V CB 0.728 32.503 31.823 -0.080 0.000 0.983 603 V HN 0.853 nan 8.190 nan 0.000 0.459 604 M N 7.546 127.053 119.600 -0.156 0.000 2.181 604 M HA 0.596 5.070 4.480 -0.010 0.000 0.323 604 M C -0.961 175.232 176.300 -0.179 0.000 1.004 604 M CA -0.220 54.978 55.300 -0.170 0.000 0.941 604 M CB 1.946 34.433 32.600 -0.188 0.000 1.579 604 M HN 0.526 nan 8.290 nan 0.000 0.427 605 I N 2.110 122.569 120.570 -0.185 0.000 2.436 605 I HA 0.783 4.946 4.170 -0.010 0.000 0.289 605 I C 0.144 176.003 176.117 -0.429 0.000 1.010 605 I CA -0.606 60.575 61.300 -0.198 0.000 1.098 605 I CB 2.117 40.089 38.000 -0.047 0.000 1.266 605 I HN 0.794 nan 8.210 nan 0.000 0.434 606 G N 3.123 111.628 108.800 -0.492 0.000 2.660 606 G HA2 0.850 4.803 3.960 -0.010 0.000 0.294 606 G HA3 0.850 4.803 3.960 -0.010 0.000 0.294 606 G C -0.940 173.712 174.900 -0.412 0.000 1.369 606 G CA -0.886 43.786 45.100 -0.714 0.000 0.912 606 G HN 0.967 nan 8.290 nan 0.000 0.479 607 G N -0.385 108.314 108.800 -0.169 0.000 2.352 607 G HA2 0.392 4.346 3.960 -0.010 0.000 0.303 607 G HA3 0.392 4.346 3.960 -0.010 0.000 0.303 607 G C -1.342 173.697 174.900 0.232 0.000 1.593 607 G CA -1.024 44.124 45.100 0.080 0.000 0.963 607 G HN 0.600 nan 8.290 nan 0.000 0.685 608 K N -0.081 120.447 120.400 0.214 0.000 2.110 608 K HA 0.765 5.078 4.320 -0.010 0.000 0.263 608 K C 0.296 177.021 176.600 0.208 0.000 0.975 608 K CA -0.150 56.281 56.287 0.240 0.000 0.895 608 K CB 1.945 34.501 32.500 0.094 0.000 1.060 608 K HN 0.901 nan 8.250 nan 0.000 0.448 609 A N 1.551 124.521 122.820 0.251 0.000 2.324 609 A HA 0.664 4.977 4.320 -0.010 0.000 0.330 609 A C -0.541 177.190 177.584 0.246 0.000 1.165 609 A CA -0.736 51.379 52.037 0.130 0.000 0.813 609 A CB 1.083 20.082 19.000 -0.001 0.000 1.197 609 A HN 0.777 nan 8.150 nan 0.000 0.484 610 A N 3.423 126.366 122.820 0.205 0.000 2.511 610 A HA 0.480 4.794 4.320 -0.010 0.000 0.242 610 A C -1.405 176.248 177.584 0.115 0.000 1.069 610 A CA -0.853 51.312 52.037 0.213 0.000 0.763 610 A CB -0.361 18.728 19.000 0.147 0.000 1.001 610 A HN 0.593 nan 8.150 nan 0.000 0.498 611 P HA -0.154 nan 4.420 nan 0.000 0.217 611 P C 1.316 178.599 177.300 -0.028 0.000 1.148 611 P CA 2.008 65.050 63.100 -0.097 0.000 0.834 611 P CB 0.205 31.792 31.700 -0.188 0.000 0.783 612 G N -3.070 105.732 108.800 0.003 0.000 3.088 612 G HA2 -0.096 3.858 3.960 -0.010 0.000 0.217 612 G HA3 -0.096 3.858 3.960 -0.010 0.000 0.217 612 G C -0.066 174.858 174.900 0.041 0.000 1.159 612 G CA -0.151 44.951 45.100 0.004 0.000 0.760 612 G HN 0.307 nan 8.290 nan 0.000 0.550 613 Y N 1.962 122.196 120.300 -0.111 0.000 2.632 613 Y HA 0.136 4.679 4.550 -0.011 0.000 0.336 613 Y C 1.760 177.638 175.900 -0.036 0.000 1.237 613 Y CA -0.963 57.060 58.100 -0.129 0.000 1.595 613 Y CB -0.029 38.321 38.460 -0.184 0.000 1.508 613 Y HN 0.321 nan 8.280 nan 0.000 0.480 614 H N 3.539 122.722 119.070 0.187 0.000 2.289 614 H HA -0.251 4.299 4.556 -0.010 0.000 0.296 614 H C 1.865 177.221 175.328 0.047 0.000 1.091 614 H CA 2.365 58.469 56.048 0.093 0.000 1.274 614 H CB 0.343 30.154 29.762 0.081 0.000 1.364 614 H HN 0.692 nan 8.280 nan 0.000 0.490 615 M N 1.042 120.612 119.600 -0.050 0.000 2.108 615 M HA -0.089 4.385 4.480 -0.010 0.000 0.261 615 M C 2.578 178.612 176.300 -0.442 0.000 1.066 615 M CA 1.899 57.078 55.300 -0.202 0.000 1.107 615 M CB -0.818 31.817 32.600 0.059 0.000 1.356 615 M HN 0.351 nan 8.290 nan 0.000 0.406 616 A N -0.559 121.730 122.820 -0.884 0.000 1.972 616 A HA -0.184 4.130 4.320 -0.010 0.000 0.219 616 A C 2.168 179.523 177.584 -0.381 0.000 1.169 616 A CA 1.794 53.347 52.037 -0.807 0.000 0.635 616 A CB -0.640 17.639 19.000 -1.201 0.000 0.810 616 A HN 0.603 nan 8.150 nan 0.000 0.446 617 K N -1.267 118.971 120.400 -0.270 0.000 2.228 617 K HA 0.047 4.361 4.320 -0.010 0.000 0.202 617 K C 1.747 178.303 176.600 -0.073 0.000 1.051 617 K CA 0.847 57.071 56.287 -0.105 0.000 0.960 617 K CB -0.139 32.360 32.500 -0.001 0.000 0.743 617 K HN 0.309 nan 8.250 nan 0.000 0.458 618 M N 0.604 120.104 119.600 -0.167 0.000 2.254 618 M HA -0.029 4.444 4.480 -0.010 0.000 0.265 618 M C 1.993 178.231 176.300 -0.103 0.000 1.066 618 M CA 1.313 56.561 55.300 -0.086 0.000 1.123 618 M CB -0.431 32.072 32.600 -0.161 0.000 1.388 618 M HN 0.111 nan 8.290 nan 0.000 0.425 619 I N -0.579 119.884 120.570 -0.179 0.000 2.394 619 I HA -0.272 3.892 4.170 -0.010 0.000 0.251 619 I C 2.195 178.167 176.117 -0.242 0.000 1.136 619 I CA 0.893 62.073 61.300 -0.200 0.000 1.425 619 I CB -0.226 37.654 38.000 -0.200 0.000 1.079 619 I HN 0.158 nan 8.210 nan 0.000 0.425 620 I N 0.705 121.111 120.570 -0.272 0.000 2.315 620 I HA -0.278 3.886 4.170 -0.010 0.000 0.248 620 I C 2.538 178.360 176.117 -0.491 0.000 1.117 620 I CA 1.135 62.172 61.300 -0.438 0.000 1.404 620 I CB -0.177 37.547 38.000 -0.459 0.000 1.071 620 I HN 0.124 nan 8.210 nan 0.000 0.419 621 K N 1.359 121.500 120.400 -0.432 0.000 2.148 621 K HA -0.116 4.198 4.320 -0.010 0.000 0.204 621 K C 1.990 178.426 176.600 -0.274 0.000 1.050 621 K CA 1.340 57.297 56.287 -0.550 0.000 0.942 621 K CB -0.429 31.477 32.500 -0.989 0.000 0.724 621 K HN 0.221 nan 8.250 nan 0.000 0.446 622 L N 0.355 121.429 121.223 -0.248 0.000 2.017 622 L HA -0.133 4.201 4.340 -0.010 0.000 0.208 622 L C 2.106 178.724 176.870 -0.421 0.000 1.073 622 L CA 1.593 56.116 54.840 -0.528 0.000 0.745 622 L CB -0.272 41.415 42.059 -0.621 0.000 0.894 622 L HN 0.246 nan 8.230 nan 0.000 0.432 623 I N -0.102 120.272 120.570 -0.326 0.000 2.179 623 I HA -0.329 3.835 4.170 -0.010 0.000 0.242 623 I C 2.608 178.606 176.117 -0.199 0.000 1.088 623 I CA 1.942 63.102 61.300 -0.234 0.000 1.357 623 I CB -0.594 37.328 38.000 -0.129 0.000 1.051 623 I HN 0.418 nan 8.210 nan 0.000 0.409 624 T N -0.894 113.513 114.554 -0.244 0.000 2.867 624 T HA -0.031 4.312 4.350 -0.010 0.000 0.268 624 T C 1.956 176.583 174.700 -0.122 0.000 1.057 624 T CA 0.878 62.874 62.100 -0.174 0.000 1.136 624 T CB -0.393 68.332 68.868 -0.239 0.000 0.874 624 T HN 0.338 nan 8.240 nan 0.000 0.466 625 A N 1.335 124.077 122.820 -0.131 0.000 1.930 625 A HA 0.176 4.490 4.320 -0.010 0.000 0.217 625 A C 2.324 179.913 177.584 0.008 0.000 1.175 625 A CA 1.116 53.145 52.037 -0.014 0.000 0.627 625 A CB -0.757 18.316 19.000 0.122 0.000 0.815 625 A HN 0.574 nan 8.150 nan 0.000 0.443 626 I N -0.358 120.117 120.570 -0.159 0.000 2.252 626 I HA -0.156 4.007 4.170 -0.010 0.000 0.245 626 I C 2.684 178.756 176.117 -0.076 0.000 1.102 626 I CA 1.113 62.308 61.300 -0.175 0.000 1.385 626 I CB -0.485 37.295 38.000 -0.366 0.000 1.064 626 I HN 0.374 nan 8.210 nan 0.000 0.414 627 G N 0.194 108.938 108.800 -0.092 0.000 2.422 627 G HA2 -0.250 3.704 3.960 -0.010 0.000 0.218 627 G HA3 -0.250 3.704 3.960 -0.010 0.000 0.218 627 G C 1.273 176.134 174.900 -0.066 0.000 1.146 627 G CA 0.892 45.940 45.100 -0.086 0.000 0.769 627 G HN 0.270 nan 8.290 nan 0.000 0.547 628 D N 0.056 120.463 120.400 0.012 0.000 2.117 628 D HA -0.081 4.552 4.640 -0.010 0.000 0.197 628 D C 2.736 179.117 176.300 0.135 0.000 0.987 628 D CA 0.696 54.770 54.000 0.124 0.000 0.829 628 D CB -0.212 40.637 40.800 0.082 0.000 0.961 628 D HN 0.235 nan 8.370 nan 0.000 0.460 629 V N 0.261 120.184 119.914 0.015 0.000 2.273 629 V HA -0.156 3.958 4.120 -0.010 0.000 0.242 629 V C 2.644 178.656 176.094 -0.137 0.000 1.035 629 V CA 0.856 63.102 62.300 -0.090 0.000 1.013 629 V CB -0.450 31.252 31.823 -0.202 0.000 0.652 629 V HN 0.021 nan 8.190 nan 0.000 0.452 630 V N 1.025 120.796 119.914 -0.237 0.000 2.287 630 V HA -0.248 3.866 4.120 -0.010 0.000 0.248 630 V C 2.174 178.198 176.094 -0.117 0.000 1.053 630 V CA 2.200 64.364 62.300 -0.226 0.000 1.027 630 V CB -0.948 30.748 31.823 -0.212 0.000 0.646 630 V HN 0.575 nan 8.190 nan 0.000 0.447 631 N N -0.411 118.150 118.700 -0.233 0.000 2.520 631 N HA -0.096 4.638 4.740 -0.010 0.000 0.185 631 N C 1.244 176.438 175.510 -0.526 0.000 1.068 631 N CA 0.978 53.798 53.050 -0.384 0.000 0.911 631 N CB -0.298 37.884 38.487 -0.509 0.000 0.961 631 N HN 0.713 nan 8.380 nan 0.000 0.446 632 H N -1.659 117.417 119.070 0.010 0.000 2.784 632 H HA 0.199 4.749 4.556 -0.010 0.000 0.273 632 H C -0.466 174.882 175.328 0.033 0.000 1.112 632 H CA -0.518 55.539 56.048 0.015 0.000 1.162 632 H CB 0.666 30.425 29.762 -0.004 0.000 1.586 632 H HN -0.026 nan 8.280 nan 0.000 0.548 633 D N 1.952 122.424 120.400 0.120 0.000 2.325 633 D HA 0.024 4.658 4.640 -0.010 0.000 0.251 633 D C -1.585 174.777 176.300 0.103 0.000 1.196 633 D CA -1.973 52.115 54.000 0.146 0.000 0.866 633 D CB 1.610 42.575 40.800 0.274 0.000 1.101 633 D HN 0.127 nan 8.370 nan 0.000 0.476 634 P HA -0.108 nan 4.420 nan 0.000 0.218 634 P C 1.593 178.918 177.300 0.042 0.000 1.149 634 P CA 0.292 63.425 63.100 0.056 0.000 0.817 634 P CB 0.431 32.159 31.700 0.046 0.000 0.785 635 V N -0.506 119.431 119.914 0.039 0.000 2.515 635 V HA -0.162 3.952 4.120 -0.010 0.000 0.250 635 V C 2.436 178.536 176.094 0.010 0.000 1.058 635 V CA 1.458 63.767 62.300 0.014 0.000 1.064 635 V CB -0.931 30.888 31.823 -0.007 0.000 0.675 635 V HN -0.024 nan 8.190 nan 0.000 0.461 636 V N -0.237 119.699 119.914 0.037 0.000 2.427 636 V HA 0.062 4.176 4.120 -0.010 0.000 0.248 636 V C 1.752 177.858 176.094 0.020 0.000 1.051 636 V CA 1.466 63.788 62.300 0.037 0.000 1.048 636 V CB -1.186 30.705 31.823 0.113 0.000 0.666 636 V HN 0.745 nan 8.190 nan 0.000 0.456 637 G N 1.394 110.212 108.800 0.029 0.000 2.566 637 G HA2 -0.403 3.551 3.960 -0.010 0.000 0.280 637 G HA3 -0.403 3.551 3.960 -0.010 0.000 0.280 637 G C 0.233 175.146 174.900 0.022 0.000 1.225 637 G CA 0.570 45.686 45.100 0.025 0.000 0.966 637 G HN 0.730 nan 8.290 nan 0.000 0.560 638 D N -0.190 120.223 120.400 0.023 0.000 2.336 638 D HA 0.302 4.935 4.640 -0.010 0.000 0.228 638 D C 1.864 178.163 176.300 -0.002 0.000 1.120 638 D CA 0.274 54.289 54.000 0.025 0.000 0.839 638 D CB 0.104 40.935 40.800 0.052 0.000 0.932 638 D HN 0.565 nan 8.370 nan 0.000 0.509 639 R N -0.643 119.842 120.500 -0.024 0.000 2.240 639 R HA 0.280 4.614 4.340 -0.010 0.000 0.203 639 R C -0.197 176.062 176.300 -0.069 0.000 1.011 639 R CA 0.269 56.329 56.100 -0.067 0.000 1.007 639 R CB 0.186 30.424 30.300 -0.102 0.000 0.911 639 R HN 0.179 nan 8.270 nan 0.000 0.468 640 L N 0.494 121.693 121.223 -0.039 0.000 2.562 640 L HA 0.395 4.729 4.340 -0.010 0.000 0.266 640 L C -1.711 175.135 176.870 -0.041 0.000 0.949 640 L CA -0.556 54.258 54.840 -0.043 0.000 0.879 640 L CB 1.671 43.715 42.059 -0.025 0.000 1.278 640 L HN -0.159 nan 8.230 nan 0.000 0.404 641 R N 3.882 124.345 120.500 -0.062 0.000 2.621 641 R HA 0.752 5.085 4.340 -0.010 0.000 0.292 641 R C -1.485 174.759 176.300 -0.093 0.000 0.969 641 R CA -0.806 55.246 56.100 -0.080 0.000 0.887 641 R CB 2.362 32.614 30.300 -0.080 0.000 1.180 641 R HN 0.394 nan 8.270 nan 0.000 0.450 642 V N 5.067 124.922 119.914 -0.098 0.000 2.326 642 V HA 0.440 4.554 4.120 -0.010 0.000 0.281 642 V C -0.106 175.943 176.094 -0.075 0.000 1.015 642 V CA -0.615 61.631 62.300 -0.091 0.000 0.823 642 V CB 1.386 33.151 31.823 -0.097 0.000 1.009 642 V HN 0.547 nan 8.190 nan 0.000 0.436 643 I N 4.792 125.316 120.570 -0.076 0.000 2.474 643 I HA 0.455 4.619 4.170 -0.010 0.000 0.294 643 I C -0.663 175.437 176.117 -0.029 0.000 1.005 643 I CA -0.393 60.873 61.300 -0.057 0.000 1.113 643 I CB 1.936 39.875 38.000 -0.101 0.000 1.289 643 I HN 0.556 nan 8.210 nan 0.000 0.436 644 F N 7.330 127.213 119.950 -0.112 0.000 2.385 644 F HA 0.463 4.984 4.527 -0.010 0.000 0.360 644 F C -0.737 174.994 175.800 -0.116 0.000 1.122 644 F CA -0.790 57.145 58.000 -0.109 0.000 1.090 644 F CB 0.661 39.602 39.000 -0.098 0.000 1.150 644 F HN 0.129 nan 8.300 nan 0.000 0.472 645 L N 6.049 126.779 121.223 -0.822 0.000 2.407 645 L HA 0.158 4.492 4.340 -0.010 0.000 0.282 645 L C 0.351 176.837 176.870 -0.640 0.000 1.110 645 L CA 0.155 54.648 54.840 -0.577 0.000 0.863 645 L CB -0.039 41.804 42.059 -0.360 0.000 1.207 645 L HN 0.630 nan 8.230 nan 0.000 0.454 646 E N 3.089 123.072 120.200 -0.362 0.000 2.392 646 E HA -0.044 4.300 4.350 -0.010 0.000 0.264 646 E C 0.500 177.128 176.600 0.047 0.000 1.024 646 E CA -0.160 56.205 56.400 -0.057 0.000 0.903 646 E CB 0.292 29.981 29.700 -0.019 0.000 0.963 646 E HN 0.512 nan 8.360 nan 0.000 0.432 647 N N 2.509 121.312 118.700 0.170 0.000 2.705 647 N HA -0.285 4.448 4.740 -0.010 0.000 0.255 647 N C -1.559 174.042 175.510 0.151 0.000 1.008 647 N CA 0.536 53.693 53.050 0.179 0.000 0.742 647 N CB -1.344 37.270 38.487 0.211 0.000 0.906 647 N HN 0.432 nan 8.380 nan 0.000 0.541 648 Y N 1.546 121.844 120.300 -0.002 0.000 2.632 648 Y HA 0.205 4.749 4.550 -0.011 0.000 0.329 648 Y C 1.110 177.023 175.900 0.022 0.000 1.174 648 Y CA 0.368 58.455 58.100 -0.022 0.000 1.469 648 Y CB 0.323 38.742 38.460 -0.070 0.000 1.242 648 Y HN 0.381 nan 8.280 nan 0.000 0.540 649 R N 2.525 122.707 120.500 -0.529 0.000 2.762 649 R HA 0.472 4.806 4.340 -0.010 0.000 0.271 649 R C -0.273 175.689 176.300 -0.563 0.000 1.038 649 R CA -0.658 55.184 56.100 -0.430 0.000 0.906 649 R CB 0.369 30.609 30.300 -0.099 0.000 1.259 649 R HN 0.359 nan 8.270 nan 0.000 0.457 650 V N 1.087 120.701 119.914 -0.500 0.000 2.252 650 V HA -0.318 3.796 4.120 -0.010 0.000 0.249 650 V C 2.618 178.592 176.094 -0.199 0.000 1.056 650 V CA 2.948 65.023 62.300 -0.375 0.000 1.022 650 V CB -0.846 30.736 31.823 -0.403 0.000 0.641 650 V HN 0.955 nan 8.190 nan 0.000 0.445 651 S N 0.015 115.621 115.700 -0.157 0.000 2.399 651 S HA -0.195 4.269 4.470 -0.010 0.000 0.231 651 S C 1.935 176.493 174.600 -0.069 0.000 1.022 651 S CA 1.780 59.920 58.200 -0.100 0.000 0.983 651 S CB -0.548 62.623 63.200 -0.048 0.000 0.803 651 S HN 0.387 nan 8.310 nan 0.000 0.480 652 L N 1.944 123.127 121.223 -0.067 0.000 2.156 652 L HA 0.345 4.679 4.340 -0.010 0.000 0.208 652 L C 2.646 179.517 176.870 0.002 0.000 1.095 652 L CA 1.355 56.193 54.840 -0.004 0.000 0.770 652 L CB -1.395 40.711 42.059 0.078 0.000 0.914 652 L HN 0.363 nan 8.230 nan 0.000 0.439 653 A N -0.676 122.116 122.820 -0.046 0.000 1.933 653 A HA -0.219 4.095 4.320 -0.010 0.000 0.218 653 A C 2.109 179.737 177.584 0.074 0.000 1.175 653 A CA 1.700 53.779 52.037 0.070 0.000 0.628 653 A CB -0.591 18.421 19.000 0.021 0.000 0.814 653 A HN 0.587 nan 8.150 nan 0.000 0.444 654 E N -0.466 119.779 120.200 0.074 0.000 2.333 654 E HA -0.144 4.200 4.350 -0.010 0.000 0.198 654 E C 1.764 178.339 176.600 -0.042 0.000 1.007 654 E CA 1.058 57.477 56.400 0.030 0.000 0.845 654 E CB -0.018 29.619 29.700 -0.105 0.000 0.766 654 E HN 0.622 nan 8.360 nan 0.000 0.507 655 K N -0.219 120.132 120.400 -0.082 0.000 2.214 655 K HA 0.001 4.314 4.320 -0.010 0.000 0.201 655 K C 2.131 178.540 176.600 -0.318 0.000 1.049 655 K CA 0.769 56.986 56.287 -0.116 0.000 0.978 655 K CB 0.438 32.867 32.500 -0.119 0.000 0.842 655 K HN -0.010 nan 8.250 nan 0.000 0.474 656 V N 0.870 120.504 119.914 -0.467 0.000 2.407 656 V HA -0.145 3.968 4.120 -0.010 0.000 0.245 656 V C 2.193 178.033 176.094 -0.424 0.000 1.041 656 V CA 1.184 63.014 62.300 -0.784 0.000 1.040 656 V CB -0.715 30.782 31.823 -0.544 0.000 0.671 656 V HN 0.165 nan 8.190 nan 0.000 0.455 657 I N 0.963 121.322 120.570 -0.351 0.000 2.151 657 I HA -0.157 4.006 4.170 -0.010 0.000 0.243 657 I C -0.101 175.880 176.117 -0.227 0.000 1.080 657 I CA 1.904 62.918 61.300 -0.477 0.000 1.339 657 I CB -1.572 36.036 38.000 -0.652 0.000 1.039 657 I HN 0.361 nan 8.210 nan 0.000 0.409 658 P HA -0.100 nan 4.420 nan 0.000 0.225 658 P C 0.859 178.151 177.300 -0.012 0.000 1.148 658 P CA 1.222 64.292 63.100 -0.049 0.000 0.779 658 P CB 0.022 31.706 31.700 -0.026 0.000 0.780 659 A N -1.305 121.491 122.820 -0.040 0.000 2.308 659 A HA 0.518 4.832 4.320 -0.010 0.000 0.217 659 A C 1.146 178.833 177.584 0.171 0.000 1.216 659 A CA 0.060 52.132 52.037 0.057 0.000 0.864 659 A CB -0.542 18.502 19.000 0.073 0.000 0.902 659 A HN 0.198 nan 8.150 nan 0.000 0.499 660 A N -0.259 122.655 122.820 0.157 0.000 2.340 660 A HA 0.509 4.822 4.320 -0.010 0.000 0.268 660 A C 0.316 178.046 177.584 0.242 0.000 1.100 660 A CA -0.191 52.005 52.037 0.265 0.000 0.803 660 A CB 0.423 19.676 19.000 0.422 0.000 1.043 660 A HN 0.244 nan 8.150 nan 0.000 0.488 661 D N 0.176 120.713 120.400 0.228 0.000 2.525 661 D HA 0.134 4.767 4.640 -0.010 0.000 0.248 661 D C -0.064 176.423 176.300 0.312 0.000 1.000 661 D CA 0.664 54.839 54.000 0.292 0.000 0.923 661 D CB 0.326 41.220 40.800 0.158 0.000 1.101 661 D HN 0.340 nan 8.370 nan 0.000 0.493 662 L N 1.375 122.671 121.223 0.122 0.000 2.349 662 L HA 0.288 4.621 4.340 -0.010 0.000 0.278 662 L C -0.747 175.984 176.870 -0.232 0.000 0.996 662 L CA -0.265 54.565 54.840 -0.016 0.000 0.825 662 L CB 1.979 44.005 42.059 -0.055 0.000 1.243 662 L HN -0.164 nan 8.230 nan 0.000 0.412 663 S N 4.518 119.985 115.700 -0.390 0.000 2.429 663 S HA 0.327 4.790 4.470 -0.010 0.000 0.302 663 S C -0.345 173.963 174.600 -0.486 0.000 1.115 663 S CA -0.678 57.032 58.200 -0.816 0.000 1.095 663 S CB 0.699 63.282 63.200 -1.029 0.000 0.987 663 S HN 0.558 nan 8.310 nan 0.000 0.474 664 E N 4.107 124.048 120.200 -0.432 0.000 2.089 664 E HA 0.206 4.549 4.350 -0.010 0.000 0.284 664 E C -0.487 176.004 176.600 -0.181 0.000 1.023 664 E CA -0.381 55.893 56.400 -0.210 0.000 0.819 664 E CB 0.982 30.592 29.700 -0.149 0.000 1.076 664 E HN 0.625 nan 8.360 nan 0.000 0.396 665 Q N 2.913 122.659 119.800 -0.090 0.000 3.075 665 Q HA 0.242 4.576 4.340 -0.010 0.000 0.318 665 Q C 0.627 176.613 176.000 -0.025 0.000 0.907 665 Q CA -0.117 55.645 55.803 -0.068 0.000 0.882 665 Q CB 0.277 28.985 28.738 -0.050 0.000 1.386 665 Q HN 0.618 nan 8.270 nan 0.000 0.408 666 I N -1.440 119.110 120.570 -0.034 0.000 3.801 666 I HA 0.248 4.412 4.170 -0.010 0.000 0.338 666 I C 0.333 176.403 176.117 -0.077 0.000 1.513 666 I CA -0.519 60.771 61.300 -0.015 0.000 1.197 666 I CB 0.010 38.005 38.000 -0.008 0.000 1.300 666 I HN -0.033 nan 8.210 nan 0.000 0.433 667 S N 0.516 116.167 115.700 -0.081 0.000 2.593 667 S HA 0.232 4.696 4.470 -0.010 0.000 0.269 667 S C 0.539 175.125 174.600 -0.024 0.000 1.334 667 S CA -0.344 57.824 58.200 -0.052 0.000 1.015 667 S CB 0.628 63.839 63.200 0.018 0.000 0.912 667 S HN 0.409 nan 8.310 nan 0.000 0.541 668 T N 2.438 117.013 114.554 0.036 0.000 2.888 668 T HA 0.421 4.764 4.350 -0.010 0.000 0.301 668 T C 0.699 175.413 174.700 0.024 0.000 1.001 668 T CA 0.166 62.293 62.100 0.045 0.000 1.147 668 T CB 0.141 69.103 68.868 0.156 0.000 0.931 668 T HN 0.984 nan 8.240 nan 0.000 0.541 669 A N 2.551 125.356 122.820 -0.026 0.000 2.567 669 A HA 0.451 4.765 4.320 -0.010 0.000 0.240 669 A C 1.643 179.222 177.584 -0.008 0.000 1.053 669 A CA 0.325 52.342 52.037 -0.034 0.000 0.755 669 A CB -0.911 18.056 19.000 -0.054 0.000 0.978 669 A HN 1.675 nan 8.150 nan 0.000 0.507 670 G N 1.360 110.155 108.800 -0.009 0.000 2.175 670 G HA2 -0.258 3.695 3.960 -0.010 0.000 0.244 670 G HA3 -0.258 3.695 3.960 -0.010 0.000 0.244 670 G C 0.936 175.828 174.900 -0.014 0.000 0.982 670 G CA 1.190 46.285 45.100 -0.008 0.000 0.641 670 G HN 2.022 nan 8.290 nan 0.000 0.527 671 T N -2.328 112.220 114.554 -0.011 0.000 3.042 671 T HA 0.381 4.725 4.350 -0.010 0.000 0.245 671 T C 0.821 175.402 174.700 -0.198 0.000 1.029 671 T CA 1.131 63.166 62.100 -0.108 0.000 1.120 671 T CB 0.460 69.303 68.868 -0.041 0.000 0.917 671 T HN 0.300 nan 8.240 nan 0.000 0.467 672 E N 1.561 121.770 120.200 0.015 0.000 1.996 672 E HA 0.645 4.988 4.350 -0.010 0.000 0.280 672 E C 1.244 177.816 176.600 -0.046 0.000 1.092 672 E CA 0.117 56.569 56.400 0.087 0.000 0.862 672 E CB 0.619 30.411 29.700 0.153 0.000 1.066 672 E HN 0.364 nan 8.360 nan 0.000 0.396 673 A N 3.458 126.178 122.820 -0.167 0.000 1.915 673 A HA -0.272 4.041 4.320 -0.010 0.000 0.220 673 A C 1.991 179.470 177.584 -0.175 0.000 1.198 673 A CA 2.459 54.279 52.037 -0.361 0.000 0.647 673 A CB -0.319 18.251 19.000 -0.716 0.000 0.825 673 A HN 0.634 nan 8.150 nan 0.000 0.456 674 S N -4.384 111.264 115.700 -0.085 0.000 4.428 674 S HA 0.447 4.911 4.470 -0.010 0.000 0.199 674 S C 0.685 175.279 174.600 -0.010 0.000 1.156 674 S CA 1.349 59.536 58.200 -0.021 0.000 1.134 674 S CB -0.197 63.008 63.200 0.009 0.000 1.531 674 S HN 2.378 nan 8.310 nan 0.000 0.551 675 G N 0.183 108.984 108.800 0.001 0.000 2.705 675 G HA2 0.007 3.961 3.960 -0.010 0.000 0.686 675 G HA3 0.007 3.961 3.960 -0.010 0.000 0.686 675 G C 0.219 175.105 174.900 -0.024 0.000 1.285 675 G CA 0.455 45.552 45.100 -0.005 0.000 0.800 675 G HN 1.381 nan 8.290 nan 0.000 0.611 676 T N -2.139 112.387 114.554 -0.047 0.000 3.051 676 T HA 0.371 4.715 4.350 -0.010 0.000 0.254 676 T C 2.355 176.961 174.700 -0.156 0.000 0.916 676 T CA 1.221 63.265 62.100 -0.093 0.000 0.894 676 T CB 0.275 69.083 68.868 -0.101 0.000 1.251 676 T HN 1.865 nan 8.240 nan 0.000 0.517 677 G N 3.156 111.888 108.800 -0.113 0.000 2.422 677 G HA2 -0.258 3.696 3.960 -0.010 0.000 0.218 677 G HA3 -0.258 3.696 3.960 -0.010 0.000 0.218 677 G C 1.442 176.382 174.900 0.067 0.000 1.146 677 G CA 1.184 46.230 45.100 -0.089 0.000 0.769 677 G HN 0.813 nan 8.290 nan 0.000 0.547 678 N N 0.291 119.016 118.700 0.043 0.000 2.094 678 N HA -0.177 4.557 4.740 -0.010 0.000 0.191 678 N C 2.223 177.740 175.510 0.011 0.000 1.023 678 N CA 1.476 54.555 53.050 0.049 0.000 0.857 678 N CB -0.386 38.084 38.487 -0.028 0.000 1.013 678 N HN 0.354 nan 8.380 nan 0.000 0.426 679 M N 0.791 120.328 119.600 -0.104 0.000 2.175 679 M HA -0.037 4.437 4.480 -0.010 0.000 0.264 679 M C 2.050 178.299 176.300 -0.085 0.000 1.063 679 M CA 1.472 56.691 55.300 -0.136 0.000 1.119 679 M CB -0.154 32.366 32.600 -0.134 0.000 1.377 679 M HN 0.090 nan 8.290 nan 0.000 0.415 680 K N 0.130 120.411 120.400 -0.199 0.000 2.063 680 K HA -0.123 4.190 4.320 -0.010 0.000 0.208 680 K C 1.702 178.180 176.600 -0.204 0.000 1.048 680 K CA 1.458 57.556 56.287 -0.316 0.000 0.928 680 K CB -0.280 31.803 32.500 -0.694 0.000 0.713 680 K HN 0.140 nan 8.250 nan 0.000 0.442 681 F N 0.928 120.801 119.950 -0.128 0.000 2.171 681 F HA -0.122 4.399 4.527 -0.011 0.000 0.300 681 F C 2.503 178.274 175.800 -0.047 0.000 1.090 681 F CA 1.189 59.140 58.000 -0.082 0.000 1.293 681 F CB -0.256 38.686 39.000 -0.096 0.000 1.013 681 F HN 0.006 nan 8.300 nan 0.000 0.486 682 M N -0.584 119.102 119.600 0.143 0.000 2.159 682 M HA -0.177 4.297 4.480 -0.010 0.000 0.263 682 M C 2.016 178.373 176.300 0.094 0.000 1.063 682 M CA 1.480 56.838 55.300 0.097 0.000 1.110 682 M CB -0.171 32.480 32.600 0.084 0.000 1.374 682 M HN 0.260 nan 8.290 nan 0.000 0.411 683 L N 0.624 121.897 121.223 0.084 0.000 2.291 683 L HA -0.034 4.300 4.340 -0.010 0.000 0.214 683 L C 1.227 178.143 176.870 0.076 0.000 1.120 683 L CA 1.490 56.386 54.840 0.094 0.000 0.799 683 L CB -0.490 41.632 42.059 0.105 0.000 0.925 683 L HN 0.314 nan 8.230 nan 0.000 0.446 684 N N -0.055 118.678 118.700 0.056 0.000 2.251 684 N HA 0.176 4.910 4.740 -0.010 0.000 0.217 684 N C 0.754 176.301 175.510 0.061 0.000 1.124 684 N CA 0.767 53.843 53.050 0.044 0.000 0.843 684 N CB 0.506 38.993 38.487 -0.000 0.000 1.024 684 N HN 0.381 nan 8.380 nan 0.000 0.501 685 G N 0.576 109.419 108.800 0.071 0.000 2.171 685 G HA2 -0.192 3.762 3.960 -0.010 0.000 0.238 685 G HA3 -0.192 3.762 3.960 -0.010 0.000 0.238 685 G C -0.052 174.922 174.900 0.124 0.000 1.039 685 G CA 0.183 45.329 45.100 0.077 0.000 0.759 685 G HN 0.526 nan 8.290 nan 0.000 0.501 686 A N -0.702 122.197 122.820 0.132 0.000 2.337 686 A HA 0.913 5.227 4.320 -0.010 0.000 0.331 686 A C -0.282 177.313 177.584 0.017 0.000 1.137 686 A CA -0.716 51.415 52.037 0.157 0.000 0.807 686 A CB 1.523 20.681 19.000 0.263 0.000 1.250 686 A HN 0.780 nan 8.150 nan 0.000 0.468 687 L N 0.592 121.790 121.223 -0.042 0.000 2.360 687 L HA 0.601 4.935 4.340 -0.010 0.000 0.271 687 L C 0.473 177.209 176.870 -0.222 0.000 1.057 687 L CA 0.382 55.099 54.840 -0.205 0.000 0.803 687 L CB 1.711 43.570 42.059 -0.333 0.000 1.207 687 L HN 0.745 nan 8.230 nan 0.000 0.445 688 T N 3.781 118.077 114.554 -0.431 0.000 2.797 688 T HA 0.545 4.888 4.350 -0.010 0.000 0.279 688 T C -0.392 174.151 174.700 -0.261 0.000 0.991 688 T CA -0.176 61.643 62.100 -0.469 0.000 0.979 688 T CB 1.005 69.413 68.868 -0.767 0.000 0.943 688 T HN 0.452 nan 8.240 nan 0.000 0.444 689 I N 2.819 123.336 120.570 -0.089 0.000 2.355 689 I HA 0.731 4.895 4.170 -0.010 0.000 0.288 689 I C 0.031 176.285 176.117 0.229 0.000 0.999 689 I CA 0.068 61.440 61.300 0.121 0.000 1.163 689 I CB 0.326 38.336 38.000 0.017 0.000 1.316 689 I HN 0.790 nan 8.210 nan 0.000 0.454 690 G N 3.935 112.933 108.800 0.329 0.000 2.550 690 G HA2 0.468 4.422 3.960 -0.010 0.000 0.293 690 G HA3 0.468 4.422 3.960 -0.010 0.000 0.293 690 G C -0.959 173.835 174.900 -0.177 0.000 1.402 690 G CA -0.273 44.929 45.100 0.171 0.000 0.784 690 G HN 0.576 nan 8.290 nan 0.000 0.482 691 T N -1.711 112.634 114.554 -0.347 0.000 2.881 691 T HA 0.546 4.890 4.350 -0.010 0.000 0.278 691 T C 0.662 175.247 174.700 -0.191 0.000 0.982 691 T CA -0.723 61.105 62.100 -0.453 0.000 0.989 691 T CB 1.268 69.875 68.868 -0.435 0.000 1.058 691 T HN 0.269 nan 8.240 nan 0.000 0.529 692 M N 2.933 122.433 119.600 -0.168 0.000 3.254 692 M HA 0.312 4.786 4.480 -0.010 0.000 0.257 692 M C -0.483 175.767 176.300 -0.084 0.000 1.490 692 M CA 0.059 55.297 55.300 -0.105 0.000 1.620 692 M CB -1.777 30.769 32.600 -0.090 0.000 1.157 692 M HN 0.728 nan 8.290 nan 0.000 0.541 693 D N -0.006 120.352 120.400 -0.071 0.000 2.601 693 D HA 0.673 5.307 4.640 -0.010 0.000 0.230 693 D C 0.749 177.031 176.300 -0.030 0.000 1.106 693 D CA 0.666 54.639 54.000 -0.045 0.000 0.873 693 D CB 1.779 42.554 40.800 -0.041 0.000 1.515 693 D HN 0.593 nan 8.370 nan 0.000 0.468 694 G N 1.570 110.362 108.800 -0.014 0.000 2.632 694 G HA2 -0.281 3.672 3.960 -0.010 0.000 0.322 694 G HA3 -0.281 3.672 3.960 -0.010 0.000 0.322 694 G C 1.066 175.961 174.900 -0.008 0.000 1.326 694 G CA 1.305 46.401 45.100 -0.006 0.000 0.986 694 G HN 1.017 nan 8.290 nan 0.000 0.541 695 A N -0.431 122.380 122.820 -0.016 0.000 2.168 695 A HA 0.063 4.377 4.320 -0.010 0.000 0.215 695 A C 2.134 179.659 177.584 -0.098 0.000 1.152 695 A CA 1.886 53.907 52.037 -0.027 0.000 0.716 695 A CB -0.451 18.519 19.000 -0.051 0.000 0.794 695 A HN 0.616 nan 8.150 nan 0.000 0.465 696 N N 0.492 119.143 118.700 -0.082 0.000 2.137 696 N HA -0.153 4.581 4.740 -0.010 0.000 0.190 696 N C 1.583 176.972 175.510 -0.203 0.000 1.017 696 N CA 1.601 54.598 53.050 -0.088 0.000 0.859 696 N CB -0.590 37.895 38.487 -0.004 0.000 1.002 696 N HN 0.297 nan 8.380 nan 0.000 0.428 697 V N 1.193 121.029 119.914 -0.130 0.000 2.343 697 V HA -0.202 3.912 4.120 -0.010 0.000 0.247 697 V C 1.900 177.920 176.094 -0.123 0.000 1.051 697 V CA 1.656 63.877 62.300 -0.132 0.000 1.036 697 V CB -0.467 31.313 31.823 -0.071 0.000 0.654 697 V HN 0.353 nan 8.190 nan 0.000 0.451 698 E N -0.698 119.484 120.200 -0.031 0.000 2.285 698 E HA -0.089 4.255 4.350 -0.010 0.000 0.194 698 E C 2.164 178.872 176.600 0.181 0.000 0.997 698 E CA 0.859 57.316 56.400 0.095 0.000 0.845 698 E CB -0.125 29.717 29.700 0.237 0.000 0.782 698 E HN 0.557 nan 8.360 nan 0.000 0.491 699 M N 0.247 119.824 119.600 -0.039 0.000 2.123 699 M HA -0.056 4.418 4.480 -0.010 0.000 0.263 699 M C 2.449 178.498 176.300 -0.418 0.000 1.069 699 M CA 1.331 56.547 55.300 -0.142 0.000 1.133 699 M CB -0.048 32.358 32.600 -0.322 0.000 1.356 699 M HN 0.125 nan 8.290 nan 0.000 0.415 700 A N 0.086 122.360 122.820 -0.910 0.000 1.930 700 A HA -0.209 4.104 4.320 -0.010 0.000 0.217 700 A C 1.980 179.351 177.584 -0.356 0.000 1.175 700 A CA 1.922 53.371 52.037 -0.981 0.000 0.627 700 A CB -0.795 17.659 19.000 -0.911 0.000 0.815 700 A HN 0.587 nan 8.150 nan 0.000 0.443 701 E N -0.420 119.643 120.200 -0.228 0.000 2.110 701 E HA -0.214 4.130 4.350 -0.010 0.000 0.193 701 E C 1.707 178.273 176.600 -0.057 0.000 0.988 701 E CA 1.275 57.610 56.400 -0.108 0.000 0.804 701 E CB -0.065 29.593 29.700 -0.068 0.000 0.745 701 E HN 0.546 nan 8.360 nan 0.000 0.458 702 E N -0.001 120.190 120.200 -0.015 0.000 2.076 702 E HA -0.072 4.271 4.350 -0.010 0.000 0.190 702 E C 1.815 178.435 176.600 0.032 0.000 0.979 702 E CA 1.052 57.471 56.400 0.031 0.000 0.807 702 E CB -0.027 29.751 29.700 0.129 0.000 0.761 702 E HN 0.370 nan 8.360 nan 0.000 0.454 703 A N 0.360 123.200 122.820 0.033 0.000 2.081 703 A HA 0.352 4.666 4.320 -0.010 0.000 0.214 703 A C 1.016 178.614 177.584 0.023 0.000 1.158 703 A CA 1.041 53.116 52.037 0.062 0.000 0.724 703 A CB 0.081 19.178 19.000 0.162 0.000 0.826 703 A HN 0.227 nan 8.150 nan 0.000 0.463 704 G N -0.500 108.285 108.800 -0.024 0.000 3.209 704 G HA2 -0.091 3.863 3.960 -0.010 0.000 0.686 704 G HA3 -0.091 3.863 3.960 -0.010 0.000 0.686 704 G C -0.046 174.834 174.900 -0.033 0.000 1.065 704 G CA 0.018 45.099 45.100 -0.032 0.000 0.812 704 G HN 0.244 nan 8.290 nan 0.000 0.573 705 E N 0.815 120.982 120.200 -0.054 0.000 2.219 705 E HA -0.173 4.171 4.350 -0.010 0.000 0.198 705 E C 2.071 178.655 176.600 -0.027 0.000 0.998 705 E CA 1.811 58.188 56.400 -0.039 0.000 0.818 705 E CB 0.073 29.747 29.700 -0.044 0.000 0.741 705 E HN 0.789 nan 8.360 nan 0.000 0.477 706 E N 0.476 120.648 120.200 -0.047 0.000 2.268 706 E HA -0.091 4.253 4.350 -0.010 0.000 0.195 706 E C 0.957 177.469 176.600 -0.146 0.000 0.995 706 E CA 0.661 57.011 56.400 -0.084 0.000 0.836 706 E CB 0.037 29.700 29.700 -0.061 0.000 0.763 706 E HN 0.156 nan 8.360 nan 0.000 0.491 707 N N -0.328 118.318 118.700 -0.090 0.000 2.251 707 N HA 0.134 4.868 4.740 -0.010 0.000 0.217 707 N C -0.929 174.518 175.510 -0.105 0.000 1.124 707 N CA 0.125 53.100 53.050 -0.125 0.000 0.843 707 N CB 0.365 38.834 38.487 -0.030 0.000 1.024 707 N HN 0.043 nan 8.380 nan 0.000 0.501 708 F N -0.473 119.270 119.950 -0.346 0.000 2.588 708 F HA 0.410 4.931 4.527 -0.012 0.000 0.314 708 F C -0.710 174.865 175.800 -0.376 0.000 1.069 708 F CA -1.139 56.694 58.000 -0.277 0.000 0.931 708 F CB 1.333 40.260 39.000 -0.122 0.000 1.260 708 F HN -0.222 nan 8.300 nan 0.000 0.465 709 F N 4.807 124.746 119.950 -0.019 0.000 2.395 709 F HA 0.428 4.949 4.527 -0.010 0.000 0.347 709 F C -0.340 175.579 175.800 0.198 0.000 1.157 709 F CA -0.452 57.578 58.000 0.050 0.000 1.272 709 F CB -0.081 38.894 39.000 -0.043 0.000 1.607 709 F HN 0.047 nan 8.300 nan 0.000 0.571 710 I N 3.176 123.943 120.570 0.329 0.000 2.440 710 I HA 0.425 4.589 4.170 -0.010 0.000 0.294 710 I C -0.093 176.200 176.117 0.293 0.000 0.995 710 I CA -0.399 61.057 61.300 0.261 0.000 1.306 710 I CB 0.710 38.791 38.000 0.135 0.000 1.407 710 I HN 0.356 nan 8.210 nan 0.000 0.501 711 F N 2.756 122.773 119.950 0.112 0.000 2.831 711 F HA 0.889 5.409 4.527 -0.011 0.000 0.318 711 F C 0.141 175.986 175.800 0.075 0.000 1.174 711 F CA -0.547 57.510 58.000 0.094 0.000 0.918 711 F CB 0.504 39.573 39.000 0.115 0.000 1.364 711 F HN 0.852 nan 8.300 nan 0.000 0.475 712 G N 0.907 109.834 108.800 0.212 0.000 2.804 712 G HA2 -0.157 3.797 3.960 -0.010 0.000 0.230 712 G HA3 -0.157 3.797 3.960 -0.010 0.000 0.230 712 G C -0.677 174.215 174.900 -0.013 0.000 1.386 712 G CA -0.375 44.778 45.100 0.088 0.000 0.875 712 G HN 0.958 nan 8.290 nan 0.000 0.557 713 M N 0.465 120.064 119.600 -0.002 0.000 2.252 713 M HA 0.294 4.768 4.480 -0.010 0.000 0.333 713 M C 1.051 177.323 176.300 -0.046 0.000 1.111 713 M CA 0.069 55.367 55.300 -0.004 0.000 1.140 713 M CB 0.370 32.975 32.600 0.010 0.000 1.538 713 M HN 0.526 nan 8.290 nan 0.000 0.448 714 R N 1.249 121.734 120.500 -0.026 0.000 2.607 714 R HA 0.332 4.666 4.340 -0.010 0.000 0.261 714 R C 1.134 177.418 176.300 -0.027 0.000 1.051 714 R CA -0.819 55.259 56.100 -0.036 0.000 1.110 714 R CB -0.012 30.273 30.300 -0.025 0.000 1.158 714 R HN 0.578 nan 8.270 nan 0.000 0.543 715 V N 1.632 121.528 119.914 -0.030 0.000 2.278 715 V HA -0.320 3.794 4.120 -0.010 0.000 0.251 715 V C 1.744 177.828 176.094 -0.017 0.000 1.062 715 V CA 2.254 64.540 62.300 -0.025 0.000 1.038 715 V CB -0.416 31.390 31.823 -0.028 0.000 0.646 715 V HN 0.651 nan 8.190 nan 0.000 0.447 716 E N 0.156 120.348 120.200 -0.013 0.000 2.097 716 E HA -0.220 4.124 4.350 -0.010 0.000 0.196 716 E C 1.930 178.534 176.600 0.006 0.000 1.000 716 E CA 1.627 58.024 56.400 -0.005 0.000 0.804 716 E CB -0.478 29.220 29.700 -0.004 0.000 0.740 716 E HN 0.644 nan 8.360 nan 0.000 0.454 717 D N -0.079 120.327 120.400 0.011 0.000 2.144 717 D HA -0.089 4.545 4.640 -0.010 0.000 0.200 717 D C 1.982 178.299 176.300 0.028 0.000 0.978 717 D CA 0.876 54.893 54.000 0.028 0.000 0.833 717 D CB -0.025 40.796 40.800 0.035 0.000 0.961 717 D HN 0.075 nan 8.370 nan 0.000 0.470 718 V N 1.770 121.688 119.914 0.007 0.000 2.358 718 V HA -0.199 3.914 4.120 -0.010 0.000 0.246 718 V C 1.948 178.042 176.094 0.001 0.000 1.047 718 V CA 1.614 63.910 62.300 -0.007 0.000 1.035 718 V CB -0.380 31.429 31.823 -0.024 0.000 0.658 718 V HN 0.017 nan 8.190 nan 0.000 0.452 719 D N -0.209 120.192 120.400 0.001 0.000 2.144 719 D HA -0.136 4.498 4.640 -0.010 0.000 0.199 719 D C 2.386 178.697 176.300 0.020 0.000 0.984 719 D CA 1.112 55.114 54.000 0.004 0.000 0.834 719 D CB -0.225 40.573 40.800 -0.003 0.000 0.955 719 D HN 0.299 nan 8.370 nan 0.000 0.465 720 R N 0.083 120.599 120.500 0.028 0.000 2.081 720 R HA -0.004 4.330 4.340 -0.010 0.000 0.235 720 R C 2.432 178.768 176.300 0.059 0.000 1.131 720 R CA 0.514 56.638 56.100 0.040 0.000 0.960 720 R CB -0.324 30.002 30.300 0.043 0.000 0.856 720 R HN 0.177 nan 8.270 nan 0.000 0.436 721 L N 0.537 121.805 121.223 0.075 0.000 2.131 721 L HA -0.210 4.124 4.340 -0.010 0.000 0.210 721 L C 1.325 178.262 176.870 0.112 0.000 1.092 721 L CA 1.396 56.308 54.840 0.119 0.000 0.759 721 L CB -0.244 41.900 42.059 0.142 0.000 0.903 721 L HN 0.276 nan 8.230 nan 0.000 0.435 722 D N -0.897 119.542 120.400 0.066 0.000 2.183 722 D HA -0.150 4.484 4.640 -0.010 0.000 0.203 722 D C 2.271 178.602 176.300 0.051 0.000 0.969 722 D CA 0.726 54.758 54.000 0.054 0.000 0.842 722 D CB 0.109 40.919 40.800 0.017 0.000 0.957 722 D HN 0.385 nan 8.370 nan 0.000 0.484 723 Q N 0.578 120.404 119.800 0.044 0.000 2.020 723 Q HA -0.150 4.184 4.340 -0.010 0.000 0.202 723 Q C 2.273 178.300 176.000 0.044 0.000 0.982 723 Q CA 1.062 56.887 55.803 0.036 0.000 0.838 723 Q CB -0.489 28.267 28.738 0.030 0.000 0.899 723 Q HN 0.475 nan 8.270 nan 0.000 0.423 724 R N 0.354 120.887 120.500 0.056 0.000 2.153 724 R HA 0.136 4.470 4.340 -0.010 0.000 0.218 724 R C 0.236 176.576 176.300 0.067 0.000 1.072 724 R CA 1.063 57.197 56.100 0.056 0.000 0.990 724 R CB 0.063 30.399 30.300 0.060 0.000 0.889 724 R HN 0.152 nan 8.270 nan 0.000 0.452 725 G N 0.609 109.464 108.800 0.092 0.000 3.233 725 G HA2 -0.225 3.728 3.960 -0.010 0.000 0.686 725 G HA3 -0.225 3.728 3.960 -0.010 0.000 0.686 725 G C -1.568 173.431 174.900 0.165 0.000 1.153 725 G CA -0.340 44.825 45.100 0.108 0.000 0.853 725 G HN 0.318 nan 8.290 nan 0.000 0.582 726 Y N 3.718 124.053 120.300 0.058 0.000 2.365 726 Y HA 0.581 5.125 4.550 -0.010 0.000 0.340 726 Y C 0.372 176.328 175.900 0.094 0.000 1.016 726 Y CA -0.911 57.241 58.100 0.087 0.000 1.196 726 Y CB 0.966 39.454 38.460 0.047 0.000 1.167 726 Y HN 0.575 nan 8.280 nan 0.000 0.509 727 N N 5.123 123.579 118.700 -0.407 0.000 2.569 727 N HA 0.282 5.016 4.740 -0.010 0.000 0.254 727 N C 0.097 175.365 175.510 -0.403 0.000 1.004 727 N CA 0.249 53.089 53.050 -0.349 0.000 0.904 727 N CB 1.519 39.935 38.487 -0.117 0.000 1.165 727 N HN 0.884 nan 8.380 nan 0.000 0.513 728 A N 2.906 125.401 122.820 -0.542 0.000 2.070 728 A HA -0.200 4.114 4.320 -0.010 0.000 0.220 728 A C 1.942 179.673 177.584 0.245 0.000 1.159 728 A CA 1.281 53.263 52.037 -0.091 0.000 0.656 728 A CB -0.234 18.647 19.000 -0.198 0.000 0.800 728 A HN 0.753 nan 8.150 nan 0.000 0.453 729 Q N 0.247 120.074 119.800 0.045 0.000 2.135 729 Q HA -0.212 4.122 4.340 -0.010 0.000 0.204 729 Q C 1.895 177.970 176.000 0.124 0.000 0.981 729 Q CA 2.166 58.009 55.803 0.067 0.000 0.856 729 Q CB -0.327 28.404 28.738 -0.012 0.000 0.902 729 Q HN 0.759 nan 8.270 nan 0.000 0.425 730 E N -1.282 118.941 120.200 0.039 0.000 2.070 730 E HA -0.241 4.103 4.350 -0.010 0.000 0.197 730 E C 1.548 178.085 176.600 -0.104 0.000 1.004 730 E CA 1.521 57.872 56.400 -0.081 0.000 0.805 730 E CB -0.185 29.376 29.700 -0.232 0.000 0.744 730 E HN 0.571 nan 8.360 nan 0.000 0.451 731 Y N -1.284 119.065 120.300 0.081 0.000 2.263 731 Y HA -0.191 4.353 4.550 -0.011 0.000 0.292 731 Y C 2.126 177.988 175.900 -0.062 0.000 1.130 731 Y CA 1.402 59.531 58.100 0.048 0.000 1.179 731 Y CB -0.508 38.033 38.460 0.135 0.000 0.998 731 Y HN 0.245 nan 8.280 nan 0.000 0.532 732 Y N 1.071 121.360 120.300 -0.018 0.000 2.242 732 Y HA -0.219 4.325 4.550 -0.010 0.000 0.291 732 Y C 1.795 177.640 175.900 -0.092 0.000 1.137 732 Y CA 1.616 59.627 58.100 -0.150 0.000 1.181 732 Y CB -0.294 38.130 38.460 -0.062 0.000 0.989 732 Y HN 0.050 nan 8.280 nan 0.000 0.527 733 D N -0.069 120.403 120.400 0.119 0.000 2.123 733 D HA -0.109 4.524 4.640 -0.010 0.000 0.200 733 D C 1.901 178.164 176.300 -0.062 0.000 0.976 733 D CA 1.273 55.292 54.000 0.033 0.000 0.831 733 D CB -0.122 40.718 40.800 0.066 0.000 0.974 733 D HN 0.463 nan 8.370 nan 0.000 0.469 734 R N 0.081 120.545 120.500 -0.060 0.000 2.297 734 R HA 0.203 4.537 4.340 -0.010 0.000 0.197 734 R C 0.394 176.661 176.300 -0.055 0.000 0.943 734 R CA 0.159 56.224 56.100 -0.059 0.000 1.038 734 R CB 0.606 30.870 30.300 -0.060 0.000 0.957 734 R HN 0.189 nan 8.270 nan 0.000 0.484 735 I N 2.269 122.785 120.570 -0.090 0.000 2.437 735 I HA 0.211 4.375 4.170 -0.010 0.000 0.279 735 I C -1.870 174.146 176.117 -0.168 0.000 1.028 735 I CA -2.437 58.817 61.300 -0.077 0.000 1.142 735 I CB 2.343 40.331 38.000 -0.019 0.000 1.266 735 I HN -0.269 nan 8.210 nan 0.000 0.461 736 P HA -0.156 nan 4.420 nan 0.000 0.216 736 P C 1.161 178.368 177.300 -0.154 0.000 1.150 736 P CA 1.330 64.337 63.100 -0.155 0.000 0.837 736 P CB 0.301 31.943 31.700 -0.097 0.000 0.786 737 E N -0.924 119.223 120.200 -0.087 0.000 2.106 737 E HA -0.157 4.186 4.350 -0.010 0.000 0.192 737 E C 1.867 178.383 176.600 -0.139 0.000 0.984 737 E CA 0.760 57.130 56.400 -0.051 0.000 0.806 737 E CB -0.599 29.144 29.700 0.072 0.000 0.750 737 E HN 0.130 nan 8.360 nan 0.000 0.458 738 L N 1.379 122.433 121.223 -0.281 0.000 2.072 738 L HA -0.118 4.215 4.340 -0.010 0.000 0.205 738 L C 2.391 178.992 176.870 -0.449 0.000 1.079 738 L CA 1.630 56.134 54.840 -0.560 0.000 0.752 738 L CB -0.394 41.184 42.059 -0.800 0.000 0.906 738 L HN -0.088 nan 8.230 nan 0.000 0.436 739 R N -0.746 119.455 120.500 -0.498 0.000 2.083 739 R HA -0.246 4.088 4.340 -0.010 0.000 0.237 739 R C 2.389 178.514 176.300 -0.292 0.000 1.137 739 R CA 2.003 57.712 56.100 -0.652 0.000 0.951 739 R CB -0.404 29.416 30.300 -0.800 0.000 0.851 739 R HN 0.630 nan 8.270 nan 0.000 0.434 740 Q N 0.428 120.097 119.800 -0.218 0.000 2.096 740 Q HA -0.187 4.147 4.340 -0.010 0.000 0.204 740 Q C 2.058 178.009 176.000 -0.082 0.000 0.982 740 Q CA 1.945 57.669 55.803 -0.131 0.000 0.850 740 Q CB -0.098 28.567 28.738 -0.122 0.000 0.901 740 Q HN 0.501 nan 8.270 nan 0.000 0.422 741 I N 0.043 120.566 120.570 -0.078 0.000 2.202 741 I HA -0.272 3.892 4.170 -0.010 0.000 0.242 741 I C 2.095 178.244 176.117 0.053 0.000 1.091 741 I CA 0.776 62.073 61.300 -0.004 0.000 1.368 741 I CB -0.165 37.813 38.000 -0.038 0.000 1.058 741 I HN 0.226 nan 8.210 nan 0.000 0.410 742 I N 0.738 121.335 120.570 0.046 0.000 2.361 742 I HA -0.263 3.901 4.170 -0.010 0.000 0.251 742 I C 2.331 178.552 176.117 0.172 0.000 1.133 742 I CA 1.578 62.970 61.300 0.154 0.000 1.413 742 I CB -0.352 37.822 38.000 0.290 0.000 1.073 742 I HN 0.202 nan 8.210 nan 0.000 0.424 743 E N -0.449 119.830 120.200 0.133 0.000 2.285 743 E HA -0.191 4.153 4.350 -0.010 0.000 0.194 743 E C 2.033 178.700 176.600 0.111 0.000 0.997 743 E CA 0.474 56.947 56.400 0.121 0.000 0.845 743 E CB -0.049 29.697 29.700 0.077 0.000 0.782 743 E HN 0.588 nan 8.360 nan 0.000 0.491 744 Q N 0.428 120.291 119.800 0.104 0.000 2.137 744 Q HA -0.028 4.305 4.340 -0.010 0.000 0.198 744 Q C 2.222 178.429 176.000 0.346 0.000 0.960 744 Q CA 0.703 56.587 55.803 0.136 0.000 0.847 744 Q CB 0.197 28.964 28.738 0.048 0.000 0.915 744 Q HN 0.267 nan 8.270 nan 0.000 0.448 745 L N -0.468 120.957 121.223 0.336 0.000 2.056 745 L HA -0.141 4.193 4.340 -0.010 0.000 0.207 745 L C 2.381 179.442 176.870 0.318 0.000 1.078 745 L CA 0.811 55.866 54.840 0.358 0.000 0.749 745 L CB -0.298 41.883 42.059 0.204 0.000 0.901 745 L HN 0.127 nan 8.230 nan 0.000 0.433 746 S N -0.284 115.556 115.700 0.233 0.000 2.383 746 S HA -0.139 4.325 4.470 -0.010 0.000 0.227 746 S C 2.029 176.732 174.600 0.172 0.000 1.026 746 S CA 1.536 59.849 58.200 0.189 0.000 0.981 746 S CB -0.141 63.150 63.200 0.151 0.000 0.818 746 S HN 0.585 nan 8.310 nan 0.000 0.472 747 S N 0.234 116.039 115.700 0.175 0.000 2.603 747 S HA 0.332 4.795 4.470 -0.010 0.000 0.220 747 S C 1.320 176.016 174.600 0.161 0.000 0.967 747 S CA 0.691 58.980 58.200 0.148 0.000 0.920 747 S CB -0.002 63.276 63.200 0.129 0.000 0.773 747 S HN 0.752 nan 8.310 nan 0.000 0.529 748 G N 0.824 109.751 108.800 0.212 0.000 2.136 748 G HA2 -0.313 3.640 3.960 -0.010 0.000 0.242 748 G HA3 -0.313 3.640 3.960 -0.010 0.000 0.242 748 G C 0.191 175.191 174.900 0.167 0.000 0.989 748 G CA 0.164 45.377 45.100 0.189 0.000 0.682 748 G HN 0.611 nan 8.290 nan 0.000 0.522 749 F N 0.073 120.046 119.950 0.039 0.000 2.216 749 F HA 0.206 4.726 4.527 -0.011 0.000 0.300 749 F C 1.842 177.472 175.800 -0.284 0.000 1.085 749 F CA 1.906 59.815 58.000 -0.152 0.000 1.326 749 F CB -0.038 38.806 39.000 -0.258 0.000 1.027 749 F HN 0.166 nan 8.300 nan 0.000 0.497 750 F N -0.265 119.769 119.950 0.141 0.000 2.695 750 F HA 0.210 4.730 4.527 -0.011 0.000 0.303 750 F C 0.610 176.487 175.800 0.129 0.000 1.091 750 F CA 0.206 58.243 58.000 0.062 0.000 1.300 750 F CB 0.023 39.100 39.000 0.129 0.000 1.071 750 F HN -0.041 nan 8.300 nan 0.000 0.578 751 S N -1.519 114.324 115.700 0.237 0.000 2.386 751 S HA 0.323 4.787 4.470 -0.010 0.000 0.152 751 S C -2.492 172.131 174.600 0.038 0.000 1.511 751 S CA -1.101 57.169 58.200 0.117 0.000 1.246 751 S CB 1.067 64.293 63.200 0.043 0.000 1.338 751 S HN -0.193 nan 8.310 nan 0.000 0.409 752 P HA -0.099 nan 4.420 nan 0.000 0.214 752 P C 1.158 178.452 177.300 -0.009 0.000 1.163 752 P CA 1.385 64.470 63.100 -0.026 0.000 0.883 752 P CB 0.083 31.745 31.700 -0.063 0.000 0.788 753 K N -0.973 119.420 120.400 -0.011 0.000 2.211 753 K HA -0.082 4.231 4.320 -0.010 0.000 0.203 753 K C 0.673 177.272 176.600 -0.001 0.000 1.050 753 K CA 1.013 57.297 56.287 -0.005 0.000 0.945 753 K CB -0.201 32.298 32.500 -0.002 0.000 0.732 753 K HN 0.325 nan 8.250 nan 0.000 0.451 754 Q N -0.437 119.359 119.800 -0.007 0.000 2.907 754 Q HA 0.159 4.492 4.340 -0.010 0.000 0.262 754 Q C -2.345 173.646 176.000 -0.015 0.000 0.997 754 Q CA -1.602 54.192 55.803 -0.015 0.000 0.797 754 Q CB 1.527 30.247 28.738 -0.030 0.000 1.228 754 Q HN -0.093 nan 8.270 nan 0.000 0.466 755 P HA -0.246 nan 4.420 nan 0.000 0.217 755 P C 0.626 177.964 177.300 0.062 0.000 1.148 755 P CA 1.520 64.650 63.100 0.050 0.000 0.834 755 P CB 0.212 31.942 31.700 0.049 0.000 0.783 756 D N -1.321 119.099 120.400 0.033 0.000 2.368 756 D HA -0.005 4.628 4.640 -0.010 0.000 0.218 756 D C 1.590 177.891 176.300 0.001 0.000 1.112 756 D CA -0.248 53.779 54.000 0.045 0.000 0.834 756 D CB -0.531 40.296 40.800 0.045 0.000 0.953 756 D HN 0.023 nan 8.370 nan 0.000 0.505 757 L N 0.035 121.195 121.223 -0.105 0.000 2.081 757 L HA -0.080 4.253 4.340 -0.010 0.000 0.212 757 L C 1.090 177.746 176.870 -0.357 0.000 1.080 757 L CA 1.687 56.350 54.840 -0.294 0.000 0.754 757 L CB -0.624 41.088 42.059 -0.578 0.000 0.893 757 L HN -0.008 nan 8.230 nan 0.000 0.433 758 F N -0.705 119.303 119.950 0.096 0.000 2.668 758 F HA 0.143 4.664 4.527 -0.010 0.000 0.297 758 F C 1.791 177.645 175.800 0.091 0.000 1.124 758 F CA -0.189 57.858 58.000 0.079 0.000 1.353 758 F CB -0.275 38.758 39.000 0.054 0.000 0.992 758 F HN 0.098 nan 8.300 nan 0.000 0.524 759 K N -0.550 119.971 120.400 0.201 0.000 2.147 759 K HA -0.174 4.140 4.320 -0.010 0.000 0.205 759 K C 0.985 177.693 176.600 0.180 0.000 1.049 759 K CA 1.856 58.245 56.287 0.171 0.000 0.936 759 K CB -0.220 32.355 32.500 0.126 0.000 0.722 759 K HN 0.063 nan 8.250 nan 0.000 0.446 760 D N 1.255 121.774 120.400 0.199 0.000 2.144 760 D HA -0.077 4.557 4.640 -0.010 0.000 0.199 760 D C 1.998 178.417 176.300 0.197 0.000 0.984 760 D CA 1.092 55.222 54.000 0.216 0.000 0.834 760 D CB -0.084 40.882 40.800 0.277 0.000 0.955 760 D HN 0.306 nan 8.370 nan 0.000 0.465 761 I N 0.325 121.009 120.570 0.189 0.000 2.202 761 I HA -0.203 3.960 4.170 -0.010 0.000 0.242 761 I C 2.426 178.601 176.117 0.097 0.000 1.091 761 I CA 0.561 61.938 61.300 0.129 0.000 1.368 761 I CB -0.204 37.861 38.000 0.110 0.000 1.058 761 I HN -0.124 nan 8.210 nan 0.000 0.410 762 V N 1.047 121.035 119.914 0.124 0.000 2.343 762 V HA -0.313 3.801 4.120 -0.010 0.000 0.247 762 V C 2.165 178.284 176.094 0.041 0.000 1.051 762 V CA 2.457 64.813 62.300 0.094 0.000 1.036 762 V CB -1.031 30.868 31.823 0.127 0.000 0.654 762 V HN 0.478 nan 8.190 nan 0.000 0.451 763 N N -0.343 118.414 118.700 0.096 0.000 2.069 763 N HA -0.247 4.487 4.740 -0.010 0.000 0.191 763 N C 1.965 177.469 175.510 -0.010 0.000 1.031 763 N CA 1.967 55.090 53.050 0.121 0.000 0.852 763 N CB -0.202 38.415 38.487 0.216 0.000 1.018 763 N HN 0.357 nan 8.380 nan 0.000 0.423 764 M N 0.040 119.685 119.600 0.075 0.000 2.086 764 M HA -0.142 4.332 4.480 -0.010 0.000 0.261 764 M C 1.506 177.742 176.300 -0.105 0.000 1.067 764 M CA 1.394 56.747 55.300 0.088 0.000 1.116 764 M CB -0.519 32.198 32.600 0.195 0.000 1.348 764 M HN 0.237 nan 8.290 nan 0.000 0.407 765 L N 0.723 121.860 121.223 -0.143 0.000 2.079 765 L HA -0.220 4.113 4.340 -0.010 0.000 0.210 765 L C 2.460 179.025 176.870 -0.507 0.000 1.081 765 L CA 1.677 56.309 54.840 -0.347 0.000 0.752 765 L CB -1.151 40.726 42.059 -0.303 0.000 0.896 765 L HN 0.388 nan 8.230 nan 0.000 0.433 766 M N -1.942 117.402 119.600 -0.426 0.000 2.287 766 M HA -0.057 4.416 4.480 -0.010 0.000 0.266 766 M C 1.855 177.693 176.300 -0.771 0.000 1.079 766 M CA 1.338 56.285 55.300 -0.588 0.000 1.146 766 M CB -0.708 31.448 32.600 -0.740 0.000 1.374 766 M HN 0.343 nan 8.290 nan 0.000 0.435 767 H N -1.903 116.944 119.070 -0.372 0.000 3.017 767 H HA 0.211 4.761 4.556 -0.010 0.000 0.255 767 H C 0.045 175.100 175.328 -0.454 0.000 0.990 767 H CA 0.526 56.298 56.048 -0.460 0.000 1.205 767 H CB 0.295 29.730 29.762 -0.546 0.000 1.460 767 H HN 0.544 nan 8.280 nan 0.000 0.478 768 H N -0.294 118.830 119.070 0.091 0.000 2.825 768 H HA 0.199 4.749 4.556 -0.011 0.000 0.226 768 H C -0.944 174.401 175.328 0.029 0.000 1.414 768 H CA -0.494 55.595 56.048 0.068 0.000 1.198 768 H CB 0.477 30.284 29.762 0.076 0.000 2.013 768 H HN -0.070 nan 8.280 nan 0.000 0.530 769 D N 1.419 121.857 120.400 0.063 0.000 2.411 769 D HA 0.120 4.754 4.640 -0.010 0.000 0.225 769 D C 0.943 177.173 176.300 -0.117 0.000 1.156 769 D CA -0.269 53.733 54.000 0.004 0.000 0.874 769 D CB 0.622 41.408 40.800 -0.023 0.000 1.034 769 D HN 0.402 nan 8.370 nan 0.000 0.502 770 R N 2.213 122.539 120.500 -0.290 0.000 2.189 770 R HA -0.039 4.295 4.340 -0.010 0.000 0.218 770 R C 0.578 176.309 176.300 -0.948 0.000 1.074 770 R CA 0.857 56.550 56.100 -0.678 0.000 0.991 770 R CB 0.152 29.837 30.300 -1.025 0.000 0.883 770 R HN 0.389 nan 8.270 nan 0.000 0.457 771 F N 1.524 121.424 119.950 -0.083 0.000 2.708 771 F HA 0.214 4.735 4.527 -0.010 0.000 0.300 771 F C -0.045 175.618 175.800 -0.228 0.000 1.118 771 F CA -0.847 57.086 58.000 -0.112 0.000 1.307 771 F CB 0.047 39.040 39.000 -0.012 0.000 0.986 771 F HN -0.202 nan 8.300 nan 0.000 0.522 772 K N -0.717 119.444 120.400 -0.399 0.000 4.462 772 K HA -0.202 4.112 4.320 -0.010 0.000 0.278 772 K C 0.719 177.176 176.600 -0.238 0.000 0.789 772 K CA 0.203 56.077 56.287 -0.687 0.000 0.765 772 K CB -1.760 30.105 32.500 -1.058 0.000 1.839 772 K HN 0.298 nan 8.250 nan 0.000 0.418 773 V N 0.829 120.678 119.914 -0.108 0.000 2.427 773 V HA -0.210 3.903 4.120 -0.010 0.000 0.248 773 V C 2.155 178.366 176.094 0.195 0.000 1.051 773 V CA 1.841 64.156 62.300 0.026 0.000 1.048 773 V CB -0.572 31.260 31.823 0.014 0.000 0.666 773 V HN 0.614 nan 8.190 nan 0.000 0.456 774 F N 0.348 120.289 119.950 -0.015 0.000 2.146 774 F HA -0.164 4.356 4.527 -0.011 0.000 0.298 774 F C 2.569 178.171 175.800 -0.330 0.000 1.096 774 F CA 0.677 58.612 58.000 -0.108 0.000 1.275 774 F CB -0.416 38.513 39.000 -0.119 0.000 1.008 774 F HN 0.191 nan 8.300 nan 0.000 0.480 775 A N -0.422 122.213 122.820 -0.308 0.000 2.032 775 A HA -0.234 4.079 4.320 -0.010 0.000 0.221 775 A C 1.393 179.002 177.584 0.040 0.000 1.165 775 A CA 2.140 53.963 52.037 -0.355 0.000 0.645 775 A CB -0.527 18.393 19.000 -0.133 0.000 0.807 775 A HN 0.264 nan 8.150 nan 0.000 0.453 776 D N -3.141 117.330 120.400 0.118 0.000 2.398 776 D HA 0.126 4.760 4.640 -0.010 0.000 0.210 776 D C 1.077 177.547 176.300 0.282 0.000 1.094 776 D CA -0.131 54.009 54.000 0.232 0.000 0.839 776 D CB -0.103 40.843 40.800 0.244 0.000 0.963 776 D HN 0.592 nan 8.370 nan 0.000 0.506 777 Y N 1.942 122.332 120.300 0.150 0.000 2.089 777 Y HA -0.196 4.348 4.550 -0.010 0.000 0.282 777 Y C 2.112 178.100 175.900 0.148 0.000 1.139 777 Y CA 1.833 60.030 58.100 0.161 0.000 1.123 777 Y CB 0.226 38.761 38.460 0.124 0.000 0.980 777 Y HN -0.123 nan 8.280 nan 0.000 0.493 778 E N 0.084 120.366 120.200 0.137 0.000 2.049 778 E HA -0.282 4.062 4.350 -0.010 0.000 0.198 778 E C 2.184 178.755 176.600 -0.047 0.000 1.007 778 E CA 1.772 58.175 56.400 0.005 0.000 0.809 778 E CB -0.232 29.569 29.700 0.168 0.000 0.749 778 E HN 0.629 nan 8.360 nan 0.000 0.450 779 E N -0.443 119.803 120.200 0.076 0.000 2.204 779 E HA -0.189 4.155 4.350 -0.010 0.000 0.194 779 E C 1.855 178.430 176.600 -0.042 0.000 0.989 779 E CA 0.569 57.028 56.400 0.098 0.000 0.824 779 E CB -0.051 29.801 29.700 0.253 0.000 0.756 779 E HN 0.252 nan 8.360 nan 0.000 0.477 780 Y N 0.817 120.904 120.300 -0.355 0.000 2.133 780 Y HA -0.204 4.340 4.550 -0.011 0.000 0.287 780 Y C 2.227 177.720 175.900 -0.678 0.000 1.134 780 Y CA 1.558 59.127 58.100 -0.886 0.000 1.133 780 Y CB -0.610 37.386 38.460 -0.774 0.000 0.987 780 Y HN -0.039 nan 8.280 nan 0.000 0.502 781 V N -0.567 118.961 119.914 -0.643 0.000 2.515 781 V HA -0.168 3.945 4.120 -0.010 0.000 0.250 781 V C 2.165 178.014 176.094 -0.409 0.000 1.058 781 V CA 2.235 64.170 62.300 -0.608 0.000 1.064 781 V CB -0.679 30.882 31.823 -0.438 0.000 0.675 781 V HN 0.232 nan 8.190 nan 0.000 0.461 782 K N -0.008 120.216 120.400 -0.294 0.000 2.026 782 K HA -0.085 4.228 4.320 -0.010 0.000 0.208 782 K C 2.285 178.786 176.600 -0.165 0.000 1.048 782 K CA 1.929 58.117 56.287 -0.165 0.000 0.929 782 K CB -1.216 31.236 32.500 -0.080 0.000 0.713 782 K HN 0.673 nan 8.250 nan 0.000 0.439 783 C N 0.836 120.008 119.300 -0.212 0.000 2.425 783 C HA -0.068 4.386 4.460 -0.010 0.000 0.277 783 C C 2.387 177.209 174.990 -0.280 0.000 1.280 783 C CA 0.677 59.608 59.018 -0.145 0.000 1.744 783 C CB -0.687 26.992 27.740 -0.101 0.000 1.989 783 C HN 0.450 nan 8.230 nan 0.000 0.491 784 Q N 0.409 119.895 119.800 -0.524 0.000 2.226 784 Q HA -0.167 4.167 4.340 -0.010 0.000 0.204 784 Q C 1.980 177.792 176.000 -0.314 0.000 0.975 784 Q CA 1.513 56.968 55.803 -0.580 0.000 0.866 784 Q CB -0.339 27.815 28.738 -0.973 0.000 0.915 784 Q HN 0.759 nan 8.270 nan 0.000 0.440 785 E N 0.258 120.329 120.200 -0.215 0.000 2.072 785 E HA -0.136 4.207 4.350 -0.010 0.000 0.191 785 E C 2.041 178.610 176.600 -0.051 0.000 0.985 785 E CA 0.670 57.007 56.400 -0.105 0.000 0.801 785 E CB 0.092 29.747 29.700 -0.074 0.000 0.750 785 E HN 0.258 nan 8.360 nan 0.000 0.452 786 R N 0.318 120.802 120.500 -0.026 0.000 2.120 786 R HA -0.108 4.226 4.340 -0.010 0.000 0.234 786 R C 2.625 178.994 176.300 0.114 0.000 1.123 786 R CA 1.387 57.546 56.100 0.098 0.000 0.975 786 R CB -0.561 29.864 30.300 0.208 0.000 0.866 786 R HN 0.229 nan 8.270 nan 0.000 0.446 787 V N -1.415 118.376 119.914 -0.206 0.000 2.548 787 V HA -0.083 4.031 4.120 -0.010 0.000 0.249 787 V C 1.880 178.018 176.094 0.074 0.000 1.055 787 V CA 1.770 63.849 62.300 -0.370 0.000 1.065 787 V CB 0.030 31.317 31.823 -0.894 0.000 0.681 787 V HN 0.071 nan 8.190 nan 0.000 0.462 788 S N 0.819 116.505 115.700 -0.022 0.000 2.406 788 S HA 0.115 4.579 4.470 -0.010 0.000 0.228 788 S C 2.205 176.876 174.600 0.118 0.000 1.020 788 S CA 1.384 59.593 58.200 0.014 0.000 0.965 788 S CB -0.384 62.790 63.200 -0.044 0.000 0.798 788 S HN 0.930 nan 8.310 nan 0.000 0.488 789 A N 1.246 124.145 122.820 0.131 0.000 1.897 789 A HA 0.101 4.415 4.320 -0.010 0.000 0.215 789 A C 2.042 179.753 177.584 0.212 0.000 1.181 789 A CA 0.824 52.952 52.037 0.151 0.000 0.620 789 A CB -0.584 18.494 19.000 0.129 0.000 0.821 789 A HN 0.451 nan 8.150 nan 0.000 0.443 790 L N -1.927 119.493 121.223 0.329 0.000 2.093 790 L HA -0.136 4.198 4.340 -0.010 0.000 0.208 790 L C 2.448 179.626 176.870 0.512 0.000 1.085 790 L CA 1.682 56.794 54.840 0.454 0.000 0.755 790 L CB -0.435 42.005 42.059 0.635 0.000 0.904 790 L HN 0.583 nan 8.230 nan 0.000 0.435 791 Y N 0.998 121.444 120.300 0.243 0.000 2.274 791 Y HA -0.278 4.267 4.550 -0.009 0.000 0.290 791 Y C 2.454 178.273 175.900 -0.135 0.000 1.145 791 Y CA 1.647 59.569 58.100 -0.296 0.000 1.203 791 Y CB -0.054 38.014 38.460 -0.654 0.000 0.984 791 Y HN 0.047 nan 8.280 nan 0.000 0.533 792 K N -0.007 120.426 120.400 0.055 0.000 2.442 792 K HA -0.136 4.178 4.320 -0.010 0.000 0.198 792 K C 0.340 176.921 176.600 -0.032 0.000 1.044 792 K CA 0.756 57.057 56.287 0.024 0.000 0.948 792 K CB -0.105 32.455 32.500 0.101 0.000 0.762 792 K HN 0.052 nan 8.250 nan 0.000 0.472 793 N N 0.273 118.972 118.700 -0.001 0.000 2.976 793 N HA 0.135 4.869 4.740 -0.010 0.000 0.255 793 N C -2.426 173.086 175.510 0.003 0.000 1.312 793 N CA -2.230 50.828 53.050 0.013 0.000 0.897 793 N CB 1.028 39.558 38.487 0.071 0.000 1.184 793 N HN -0.182 nan 8.380 nan 0.000 0.497 794 P HA -0.246 nan 4.420 nan 0.000 0.219 794 P C 1.433 178.742 177.300 0.016 0.000 1.161 794 P CA 1.399 64.422 63.100 -0.128 0.000 0.909 794 P CB 0.340 31.943 31.700 -0.162 0.000 0.793 795 R N -0.367 120.143 120.500 0.016 0.000 2.083 795 R HA -0.177 4.157 4.340 -0.010 0.000 0.237 795 R C 2.081 178.426 176.300 0.074 0.000 1.137 795 R CA 1.513 57.637 56.100 0.039 0.000 0.951 795 R CB -0.364 29.950 30.300 0.024 0.000 0.851 795 R HN 0.125 nan 8.270 nan 0.000 0.434 796 E N -0.240 120.015 120.200 0.091 0.000 2.107 796 E HA -0.213 4.131 4.350 -0.010 0.000 0.191 796 E C 1.568 178.254 176.600 0.142 0.000 0.982 796 E CA 0.622 57.081 56.400 0.098 0.000 0.809 796 E CB -0.435 29.322 29.700 0.094 0.000 0.756 796 E HN 0.509 nan 8.360 nan 0.000 0.459 797 W N 2.125 123.426 121.300 0.002 0.000 2.355 797 W HA -0.186 4.467 4.660 -0.012 0.000 0.309 797 W C 1.612 178.143 176.519 0.020 0.000 1.206 797 W CA 2.146 59.509 57.345 0.030 0.000 1.284 797 W CB -0.393 29.057 29.460 -0.017 0.000 1.145 797 W HN 0.040 nan 8.180 nan 0.000 0.502 798 T N 1.164 115.876 114.554 0.263 0.000 2.788 798 T HA -0.175 4.168 4.350 -0.010 0.000 0.268 798 T C 1.830 176.560 174.700 0.048 0.000 1.044 798 T CA 1.660 63.844 62.100 0.140 0.000 1.139 798 T CB -0.293 68.632 68.868 0.094 0.000 0.867 798 T HN 0.194 nan 8.240 nan 0.000 0.454 799 R N 0.394 120.923 120.500 0.048 0.000 2.092 799 R HA 0.142 4.476 4.340 -0.010 0.000 0.231 799 R C 2.493 178.793 176.300 -0.000 0.000 1.119 799 R CA 1.063 57.186 56.100 0.039 0.000 0.970 799 R CB -0.334 29.992 30.300 0.043 0.000 0.864 799 R HN 0.361 nan 8.270 nan 0.000 0.440 800 M N 0.571 120.137 119.600 -0.057 0.000 2.175 800 M HA -0.123 4.351 4.480 -0.010 0.000 0.264 800 M C 1.924 178.148 176.300 -0.127 0.000 1.063 800 M CA 1.280 56.508 55.300 -0.120 0.000 1.119 800 M CB 0.195 32.660 32.600 -0.224 0.000 1.377 800 M HN -0.032 nan 8.290 nan 0.000 0.415 801 V N 0.882 120.711 119.914 -0.142 0.000 2.287 801 V HA -0.312 3.801 4.120 -0.010 0.000 0.248 801 V C 2.198 178.287 176.094 -0.008 0.000 1.053 801 V CA 2.008 64.254 62.300 -0.091 0.000 1.027 801 V CB -0.579 31.223 31.823 -0.034 0.000 0.646 801 V HN 0.509 nan 8.190 nan 0.000 0.447 802 I N -0.633 119.952 120.570 0.026 0.000 2.264 802 I HA -0.273 3.891 4.170 -0.010 0.000 0.248 802 I C 2.676 178.845 176.117 0.088 0.000 1.111 802 I CA 1.456 62.813 61.300 0.095 0.000 1.382 802 I CB -0.312 37.786 38.000 0.164 0.000 1.060 802 I HN 0.185 nan 8.210 nan 0.000 0.418 803 R N 0.830 121.359 120.500 0.049 0.000 2.115 803 R HA -0.073 4.261 4.340 -0.010 0.000 0.230 803 R C 2.050 178.386 176.300 0.060 0.000 1.111 803 R CA 1.187 57.314 56.100 0.045 0.000 0.976 803 R CB -0.240 30.069 30.300 0.016 0.000 0.870 803 R HN 0.419 nan 8.270 nan 0.000 0.445 804 N N -0.244 118.488 118.700 0.053 0.000 2.148 804 N HA -0.077 4.657 4.740 -0.010 0.000 0.186 804 N C 1.768 177.342 175.510 0.106 0.000 1.031 804 N CA 1.398 54.502 53.050 0.090 0.000 0.848 804 N CB 0.010 38.525 38.487 0.048 0.000 1.005 804 N HN 0.153 nan 8.380 nan 0.000 0.427 805 I N 1.643 122.264 120.570 0.086 0.000 2.127 805 I HA -0.235 3.929 4.170 -0.010 0.000 0.241 805 I C 2.414 178.588 176.117 0.094 0.000 1.075 805 I CA 0.974 62.329 61.300 0.092 0.000 1.334 805 I CB -0.377 37.670 38.000 0.080 0.000 1.040 805 I HN 0.076 nan 8.210 nan 0.000 0.405 806 A N -0.951 121.924 122.820 0.090 0.000 2.125 806 A HA -0.191 4.123 4.320 -0.010 0.000 0.219 806 A C 2.196 179.821 177.584 0.068 0.000 1.156 806 A CA 2.121 54.202 52.037 0.073 0.000 0.671 806 A CB -0.627 18.420 19.000 0.078 0.000 0.794 806 A HN 0.405 nan 8.150 nan 0.000 0.459 807 T N -1.032 113.576 114.554 0.090 0.000 3.129 807 T HA 0.146 4.490 4.350 -0.010 0.000 0.267 807 T C 1.507 176.298 174.700 0.152 0.000 1.018 807 T CA 0.732 62.889 62.100 0.095 0.000 0.903 807 T CB -0.444 68.478 68.868 0.090 0.000 1.067 807 T HN 0.617 nan 8.240 nan 0.000 0.549 808 S N -0.926 114.882 115.700 0.180 0.000 2.528 808 S HA 0.172 4.636 4.470 -0.010 0.000 0.219 808 S C 2.343 177.077 174.600 0.223 0.000 0.985 808 S CA 0.619 58.999 58.200 0.300 0.000 0.914 808 S CB -0.428 62.924 63.200 0.254 0.000 0.776 808 S HN 0.437 nan 8.310 nan 0.000 0.526 809 G N 2.667 111.528 108.800 0.101 0.000 2.550 809 G HA2 -0.328 3.626 3.960 -0.010 0.000 0.222 809 G HA3 -0.328 3.626 3.960 -0.010 0.000 0.222 809 G C 1.345 176.213 174.900 -0.054 0.000 1.113 809 G CA 1.164 46.292 45.100 0.047 0.000 0.748 809 G HN 0.588 nan 8.290 nan 0.000 0.585 810 K N -0.087 120.171 120.400 -0.236 0.000 2.280 810 K HA -0.001 4.313 4.320 -0.010 0.000 0.202 810 K C 1.138 177.407 176.600 -0.550 0.000 1.047 810 K CA 0.524 56.526 56.287 -0.474 0.000 0.942 810 K CB -0.231 31.815 32.500 -0.757 0.000 0.739 810 K HN 0.427 nan 8.250 nan 0.000 0.457 811 F N 1.105 121.087 119.950 0.052 0.000 2.664 811 F HA 0.106 4.627 4.527 -0.011 0.000 0.301 811 F C 0.870 176.719 175.800 0.080 0.000 1.126 811 F CA -0.552 57.486 58.000 0.063 0.000 1.373 811 F CB 0.368 39.401 39.000 0.055 0.000 1.042 811 F HN -0.118 nan 8.300 nan 0.000 0.535 812 S N 0.176 115.966 115.700 0.150 0.000 2.565 812 S HA 0.095 4.558 4.470 -0.010 0.000 0.274 812 S C 1.389 176.079 174.600 0.150 0.000 1.309 812 S CA -0.275 58.012 58.200 0.144 0.000 1.043 812 S CB 1.004 64.258 63.200 0.090 0.000 0.939 812 S HN 0.304 nan 8.310 nan 0.000 0.504 813 S N 2.929 118.743 115.700 0.190 0.000 2.547 813 S HA -0.058 4.405 4.470 -0.010 0.000 0.235 813 S C 0.836 175.504 174.600 0.114 0.000 0.980 813 S CA 0.597 58.939 58.200 0.236 0.000 0.941 813 S CB -0.342 63.071 63.200 0.355 0.000 0.763 813 S HN 0.785 nan 8.310 nan 0.000 0.532 814 D N 1.774 122.219 120.400 0.076 0.000 2.149 814 D HA -0.035 4.598 4.640 -0.010 0.000 0.201 814 D C 2.091 178.400 176.300 0.015 0.000 0.972 814 D CA 0.635 54.655 54.000 0.033 0.000 0.835 814 D CB -0.262 40.553 40.800 0.025 0.000 0.966 814 D HN 0.293 nan 8.370 nan 0.000 0.476 815 R N 0.772 121.285 120.500 0.021 0.000 2.062 815 R HA -0.067 4.266 4.340 -0.010 0.000 0.229 815 R C 1.795 178.093 176.300 -0.004 0.000 1.128 815 R CA 1.270 57.367 56.100 -0.006 0.000 0.960 815 R CB -0.628 29.655 30.300 -0.028 0.000 0.855 815 R HN 0.106 nan 8.270 nan 0.000 0.432 816 T N 2.324 116.905 114.554 0.046 0.000 2.652 816 T HA -0.132 4.212 4.350 -0.010 0.000 0.267 816 T C 1.959 176.678 174.700 0.031 0.000 1.039 816 T CA 1.400 63.552 62.100 0.086 0.000 1.153 816 T CB -0.155 68.864 68.868 0.252 0.000 0.863 816 T HN 0.092 nan 8.240 nan 0.000 0.428 817 I N 1.869 122.378 120.570 -0.102 0.000 2.226 817 I HA -0.116 4.048 4.170 -0.010 0.000 0.245 817 I C 2.953 179.021 176.117 -0.081 0.000 1.100 817 I CA 1.071 62.264 61.300 -0.178 0.000 1.374 817 I CB -1.687 36.216 38.000 -0.163 0.000 1.057 817 I HN 0.212 nan 8.210 nan 0.000 0.413 818 A N -0.082 122.711 122.820 -0.046 0.000 1.978 818 A HA -0.235 4.078 4.320 -0.010 0.000 0.220 818 A C 2.256 179.793 177.584 -0.079 0.000 1.170 818 A CA 1.448 53.462 52.037 -0.037 0.000 0.636 818 A CB -0.541 18.444 19.000 -0.024 0.000 0.810 818 A HN 0.525 nan 8.150 nan 0.000 0.448 819 Q N -2.162 117.572 119.800 -0.109 0.000 2.137 819 Q HA -0.110 4.223 4.340 -0.010 0.000 0.198 819 Q C 1.827 177.648 176.000 -0.299 0.000 0.960 819 Q CA 1.290 56.987 55.803 -0.177 0.000 0.847 819 Q CB -0.189 28.435 28.738 -0.189 0.000 0.915 819 Q HN 0.829 nan 8.270 nan 0.000 0.448 820 Y N 0.419 120.423 120.300 -0.495 0.000 2.163 820 Y HA -0.246 4.298 4.550 -0.011 0.000 0.288 820 Y C 2.429 177.730 175.900 -0.998 0.000 1.136 820 Y CA 1.289 58.843 58.100 -0.911 0.000 1.147 820 Y CB -0.399 37.224 38.460 -1.394 0.000 0.987 820 Y HN 0.141 nan 8.280 nan 0.000 0.509 821 A N 0.419 122.970 122.820 -0.449 0.000 1.873 821 A HA -0.253 4.061 4.320 -0.010 0.000 0.218 821 A C 2.242 179.821 177.584 -0.009 0.000 1.193 821 A CA 2.243 54.273 52.037 -0.012 0.000 0.629 821 A CB -0.591 18.485 19.000 0.128 0.000 0.826 821 A HN 0.444 nan 8.150 nan 0.000 0.447 822 R N -0.779 119.681 120.500 -0.067 0.000 2.075 822 R HA -0.015 4.319 4.340 -0.010 0.000 0.226 822 R C 1.795 178.061 176.300 -0.057 0.000 1.114 822 R CA 1.406 57.482 56.100 -0.039 0.000 0.972 822 R CB -0.197 30.078 30.300 -0.042 0.000 0.869 822 R HN 0.654 nan 8.270 nan 0.000 0.437 823 E N -0.270 119.855 120.200 -0.125 0.000 2.447 823 E HA 0.098 4.442 4.350 -0.010 0.000 0.195 823 E C 1.406 177.946 176.600 -0.101 0.000 1.028 823 E CA 0.425 56.758 56.400 -0.111 0.000 0.876 823 E CB 0.528 30.137 29.700 -0.150 0.000 0.885 823 E HN 0.326 nan 8.360 nan 0.000 0.500 824 I N -1.343 119.130 120.570 -0.162 0.000 3.739 824 I HA 0.030 4.194 4.170 -0.010 0.000 0.272 824 I C 1.338 177.571 176.117 0.194 0.000 1.167 824 I CA -0.070 61.189 61.300 -0.069 0.000 1.386 824 I CB 0.106 37.927 38.000 -0.298 0.000 1.490 824 I HN 0.114 nan 8.210 nan 0.000 0.452 825 W N 1.749 123.135 121.300 0.142 0.000 2.518 825 W HA 0.282 4.936 4.660 -0.010 0.000 0.273 825 W C 1.585 178.135 176.519 0.051 0.000 1.247 825 W CA 0.967 58.375 57.345 0.106 0.000 1.288 825 W CB -1.083 28.424 29.460 0.079 0.000 1.107 825 W HN 0.356 nan 8.180 nan 0.000 0.586 826 G N 0.826 109.756 108.800 0.217 0.000 2.212 826 G HA2 -0.116 3.837 3.960 -0.010 0.000 0.255 826 G HA3 -0.116 3.837 3.960 -0.010 0.000 0.255 826 G C -0.280 174.686 174.900 0.110 0.000 1.062 826 G CA 0.182 45.354 45.100 0.120 0.000 0.815 826 G HN 0.405 nan 8.290 nan 0.000 0.497 827 V N -4.238 115.761 119.914 0.142 0.000 2.914 827 V HA 0.921 5.034 4.120 -0.010 0.000 0.314 827 V C -0.378 175.766 176.094 0.084 0.000 1.084 827 V CA -1.685 60.678 62.300 0.105 0.000 0.963 827 V CB 2.345 34.243 31.823 0.124 0.000 1.025 827 V HN 0.099 nan 8.190 nan 0.000 0.432 828 E N 3.775 124.008 120.200 0.055 0.000 2.109 828 E HA 0.514 4.857 4.350 -0.010 0.000 0.278 828 E C -2.495 174.132 176.600 0.045 0.000 0.954 828 E CA -1.867 54.559 56.400 0.043 0.000 0.779 828 E CB 1.723 31.442 29.700 0.031 0.000 1.093 828 E HN 0.743 nan 8.360 nan 0.000 0.401 829 P HA 0.066 nan 4.420 nan 0.000 0.270 829 P C -0.495 176.827 177.300 0.037 0.000 1.223 829 P CA -0.245 62.881 63.100 0.044 0.000 0.785 829 P CB 0.829 32.551 31.700 0.037 0.000 0.923 830 S N 1.136 116.860 115.700 0.040 0.000 2.572 830 S HA 0.348 4.812 4.470 -0.010 0.000 0.274 830 S C 0.054 174.677 174.600 0.038 0.000 1.150 830 S CA -0.872 57.352 58.200 0.039 0.000 0.944 830 S CB 1.222 64.451 63.200 0.048 0.000 1.071 830 S HN 0.297 nan 8.310 nan 0.000 0.479 831 R N 2.571 123.090 120.500 0.032 0.000 2.702 831 R HA 0.216 4.549 4.340 -0.010 0.000 0.314 831 R C -0.166 176.148 176.300 0.022 0.000 1.152 831 R CA -0.084 56.034 56.100 0.030 0.000 1.097 831 R CB 0.183 30.502 30.300 0.031 0.000 1.343 831 R HN 0.668 nan 8.270 nan 0.000 0.575 832 Q N 0.946 120.760 119.800 0.023 0.000 2.267 832 Q HA 0.184 4.518 4.340 -0.010 0.000 0.255 832 Q C -0.349 175.649 176.000 -0.003 0.000 0.923 832 Q CA -0.306 55.504 55.803 0.012 0.000 0.925 832 Q CB 1.297 30.047 28.738 0.021 0.000 1.195 832 Q HN -0.115 nan 8.270 nan 0.000 0.417 833 R N 1.708 122.198 120.500 -0.017 0.000 2.489 833 R HA 0.079 4.413 4.340 -0.010 0.000 0.287 833 R C -0.618 175.650 176.300 -0.053 0.000 1.053 833 R CA -0.189 55.889 56.100 -0.036 0.000 1.036 833 R CB 0.185 30.462 30.300 -0.038 0.000 0.966 833 R HN 0.411 nan 8.270 nan 0.000 0.432 834 L N 6.475 127.652 121.223 -0.077 0.000 2.439 834 L HA 0.236 4.570 4.340 -0.010 0.000 0.269 834 L C -1.686 175.125 176.870 -0.099 0.000 1.179 834 L CA -1.901 52.860 54.840 -0.131 0.000 0.828 834 L CB 0.617 42.577 42.059 -0.165 0.000 1.106 834 L HN 0.616 nan 8.230 nan 0.000 0.467 835 P HA 0.012 nan 4.420 nan 0.000 0.208 835 P C 0.033 177.307 177.300 -0.044 0.000 1.341 835 P CA 0.632 63.696 63.100 -0.059 0.000 1.235 835 P CB -0.668 31.003 31.700 -0.049 0.000 1.764 836 A N 3.505 126.302 122.820 -0.039 0.000 6.759 836 A HA -0.163 4.151 4.320 -0.010 0.000 0.308 836 A C -2.173 175.400 177.584 -0.019 0.000 2.086 836 A CA -0.021 52.001 52.037 -0.025 0.000 1.123 836 A CB -2.383 16.608 19.000 -0.015 0.000 1.078 836 A HN 0.397 nan 8.150 nan 0.000 0.457 837 P HA 0.000 nan 4.420 nan 0.000 0.216 837 P CA 0.000 63.105 63.100 0.009 0.000 0.800 837 P CB 0.000 31.717 31.700 0.028 0.000 0.726