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 2ske_1_A DATA FIRST_RESID 13 DATA SEQUENCE ISVRGLAGVE NVTELKKNFN RHLHFTLVKD RNVATPRDYY FALAHTVRDH DATA SEQUENCE LVGRWIRTQQ HYYEKDPKRI YYLSLEFYMG RTLQNTMVNL ALENACDEAT DATA SEQUENCE YQLGLDMEEL EEIEEDAGLG NGGLGRLAAC FLDSMATLGL AAYGYGIRYE DATA SEQUENCE FGIFNQKICG GWQMEEADDW LRYGNPWEKA RPEFTLPVHF YGRVEHTSQG DATA SEQUENCE AKWVDTQVVL AMPYDTPVPG YRNNVVNTMR LWSAKAPNDF NLKDFNVGGY DATA SEQUENCE IQAVLDRNLA ENISRVLYPN DNFFEGKELR LKQEYFVVAA TLQDIIRRFK DATA SEQUENCE SSKFGCRDPV RTNFDAFPDK VAIQLNDTHP SLAIPELMRV LVDLERLDWD DATA SEQUENCE KAWEVTVKTC AYTNHTVIPE ALERWPVHLL ETLLPRHLQI IYEINQRFLN DATA SEQUENCE RVAAAFPGDV DRLRRMSLVE EGAVKRINMA HLCIAGSHAV NGVARIHSEI DATA SEQUENCE LKKTIFKDFY ELEPHKFQNK TNGITPRRWL VLCNPGLAEI IAERIGEEYI DATA SEQUENCE SDLDQLRKLL SYVDDEAFIR DVAKVKQENK LKFAAYLERE YKVHINPNSL DATA SEQUENCE FDVQVKRIHE YKRQLLNCLH VITLYNRIKK EPNKFVVPRT VMIGGKAAPG DATA SEQUENCE YHMAKMIIKL ITAIGDVVNH DPVVGDRLRV IFLENYRVSL AEKVIPAADL DATA SEQUENCE SEQISTAGTE ASGTGNMKFM LNGALTIGTM DGANVEMAEE AGEENFFIFG DATA SEQUENCE MRVEDVDRLD QRGYNAQEYY DRIPELRQII EQLSSGFFSP KQPDLFKDIV DATA SEQUENCE NMLMHHDRFK VFADYEEYVK CQERVSALYK NPREWTRMVI RNIATSGKFS DATA SEQUENCE SDRTIAQYAR EIWGVEPSRQ RLPAPDEKIP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 13 I HA 0.000 nan 4.170 nan 0.000 0.288 13 I C 0.000 176.105 176.117 -0.019 0.000 1.063 13 I CA 0.000 61.279 61.300 -0.035 0.000 1.566 13 I CB 0.000 37.970 38.000 -0.050 0.000 1.214 14 S N -0.422 115.271 115.700 -0.011 0.000 2.664 14 S HA 0.179 4.642 4.470 -0.012 0.000 0.271 14 S C -1.697 172.905 174.600 0.004 0.000 0.950 14 S CA 0.050 58.251 58.200 0.002 0.000 1.008 14 S CB 0.965 64.167 63.200 0.002 0.000 1.279 14 S HN 0.133 nan 8.310 nan 0.000 0.462 15 V N 4.144 124.067 119.914 0.016 0.000 2.525 15 V HA 0.423 4.537 4.120 -0.012 0.000 0.326 15 V C 0.761 176.863 176.094 0.013 0.000 1.477 15 V CA -0.076 62.233 62.300 0.016 0.000 1.579 15 V CB -0.767 31.074 31.823 0.030 0.000 1.489 15 V HN 0.598 nan 8.190 nan 0.000 0.541 16 R N 2.320 122.821 120.500 0.001 0.000 2.449 16 R HA 0.424 4.757 4.340 -0.012 0.000 0.262 16 R C 0.896 177.186 176.300 -0.018 0.000 1.006 16 R CA 0.547 56.644 56.100 -0.004 0.000 1.104 16 R CB 0.245 30.539 30.300 -0.010 0.000 1.206 16 R HN 0.719 nan 8.270 nan 0.000 0.538 17 G N 0.744 109.534 108.800 -0.018 0.000 2.631 17 G HA2 -0.205 3.748 3.960 -0.012 0.000 0.504 17 G HA3 -0.205 3.748 3.960 -0.012 0.000 0.504 17 G C -1.102 173.782 174.900 -0.027 0.000 1.306 17 G CA -1.074 44.008 45.100 -0.030 0.000 0.897 17 G HN 0.026 nan 8.290 nan 0.000 0.520 18 L N 0.581 121.786 121.223 -0.030 0.000 2.334 18 L HA 0.690 5.023 4.340 -0.012 0.000 0.277 18 L C 1.324 178.180 176.870 -0.024 0.000 1.075 18 L CA 0.199 55.025 54.840 -0.024 0.000 0.804 18 L CB 1.093 43.139 42.059 -0.021 0.000 1.174 18 L HN 1.511 nan 8.230 nan 0.000 0.438 19 A N 2.895 125.703 122.820 -0.020 0.000 3.245 19 A HA 0.546 4.859 4.320 -0.012 0.000 0.282 19 A C 0.887 178.466 177.584 -0.009 0.000 1.417 19 A CA -0.253 51.774 52.037 -0.017 0.000 1.149 19 A CB -0.805 18.182 19.000 -0.022 0.000 1.155 19 A HN 0.796 nan 8.150 nan 0.000 0.602 20 G N -0.452 108.344 108.800 -0.007 0.000 2.562 20 G HA2 0.274 4.227 3.960 -0.012 0.000 0.233 20 G HA3 0.274 4.227 3.960 -0.012 0.000 0.233 20 G C 1.018 175.923 174.900 0.007 0.000 1.266 20 G CA 0.117 45.217 45.100 0.000 0.000 0.852 20 G HN 0.413 nan 8.290 nan 0.000 0.581 21 V N 1.527 121.447 119.914 0.009 0.000 2.270 21 V HA -0.129 3.984 4.120 -0.012 0.000 0.245 21 V C 2.668 178.773 176.094 0.019 0.000 1.043 21 V CA 2.316 64.624 62.300 0.013 0.000 1.014 21 V CB -0.748 31.082 31.823 0.011 0.000 0.645 21 V HN 0.759 nan 8.190 nan 0.000 0.447 22 E N 0.447 120.659 120.200 0.020 0.000 2.110 22 E HA -0.182 4.161 4.350 -0.012 0.000 0.193 22 E C 2.054 178.677 176.600 0.038 0.000 0.988 22 E CA 1.495 57.911 56.400 0.026 0.000 0.804 22 E CB -0.290 29.425 29.700 0.024 0.000 0.745 22 E HN 0.631 nan 8.360 nan 0.000 0.458 23 N N -1.221 117.501 118.700 0.037 0.000 2.354 23 N HA -0.074 4.659 4.740 -0.012 0.000 0.179 23 N C 1.331 176.873 175.510 0.052 0.000 1.021 23 N CA 0.428 53.510 53.050 0.052 0.000 0.887 23 N CB 0.334 38.843 38.487 0.037 0.000 0.974 23 N HN -0.041 nan 8.380 nan 0.000 0.437 24 V N -0.241 119.694 119.914 0.035 0.000 2.548 24 V HA -0.140 3.974 4.120 -0.012 0.000 0.249 24 V C 1.881 178.000 176.094 0.042 0.000 1.055 24 V CA 1.558 63.878 62.300 0.033 0.000 1.065 24 V CB -0.489 31.347 31.823 0.022 0.000 0.681 24 V HN 0.378 nan 8.190 nan 0.000 0.462 25 T N -0.445 114.134 114.554 0.041 0.000 2.812 25 T HA -0.176 4.167 4.350 -0.012 0.000 0.264 25 T C 1.881 176.617 174.700 0.060 0.000 1.042 25 T CA 1.627 63.753 62.100 0.042 0.000 1.140 25 T CB -0.086 68.802 68.868 0.033 0.000 0.870 25 T HN 0.498 nan 8.240 nan 0.000 0.445 26 E N 0.902 121.144 120.200 0.071 0.000 2.051 26 E HA -0.088 4.255 4.350 -0.012 0.000 0.192 26 E C 1.941 178.619 176.600 0.130 0.000 0.991 26 E CA 0.799 57.253 56.400 0.090 0.000 0.799 26 E CB -0.501 29.258 29.700 0.098 0.000 0.748 26 E HN 0.140 nan 8.360 nan 0.000 0.449 27 L N 1.039 122.350 121.223 0.147 0.000 2.012 27 L HA -0.169 4.164 4.340 -0.012 0.000 0.210 27 L C 2.193 179.178 176.870 0.193 0.000 1.073 27 L CA 1.900 56.855 54.840 0.190 0.000 0.748 27 L CB -0.877 41.265 42.059 0.139 0.000 0.891 27 L HN 0.116 nan 8.230 nan 0.000 0.431 28 K N -0.215 120.258 120.400 0.122 0.000 2.063 28 K HA -0.219 4.094 4.320 -0.012 0.000 0.208 28 K C 1.957 178.664 176.600 0.179 0.000 1.048 28 K CA 1.886 58.239 56.287 0.110 0.000 0.928 28 K CB -0.103 32.419 32.500 0.035 0.000 0.713 28 K HN 0.446 nan 8.250 nan 0.000 0.442 29 K N 0.074 120.557 120.400 0.137 0.000 2.155 29 K HA -0.018 4.295 4.320 -0.012 0.000 0.203 29 K C 1.613 178.303 176.600 0.149 0.000 1.052 29 K CA 1.162 57.525 56.287 0.126 0.000 0.948 29 K CB -0.083 32.464 32.500 0.078 0.000 0.728 29 K HN 0.027 nan 8.250 nan 0.000 0.448 30 N N 0.578 119.381 118.700 0.172 0.000 2.270 30 N HA -0.089 4.645 4.740 -0.012 0.000 0.181 30 N C 1.520 177.197 175.510 0.279 0.000 1.016 30 N CA 0.822 53.973 53.050 0.168 0.000 0.870 30 N CB -0.160 38.442 38.487 0.192 0.000 0.979 30 N HN 0.188 nan 8.380 nan 0.000 0.431 31 F N 2.518 122.575 119.950 0.179 0.000 2.134 31 F HA -0.066 4.455 4.527 -0.011 0.000 0.299 31 F C 1.976 177.890 175.800 0.190 0.000 1.097 31 F CA 1.245 59.365 58.000 0.201 0.000 1.264 31 F CB -0.154 38.931 39.000 0.142 0.000 1.001 31 F HN -0.035 nan 8.300 nan 0.000 0.479 32 N N 0.334 119.255 118.700 0.368 0.000 2.216 32 N HA -0.137 4.596 4.740 -0.012 0.000 0.183 32 N C 2.100 177.701 175.510 0.153 0.000 1.017 32 N CA 0.660 53.855 53.050 0.242 0.000 0.861 32 N CB -0.455 38.159 38.487 0.211 0.000 0.986 32 N HN 0.316 nan 8.380 nan 0.000 0.428 33 R N 0.708 121.292 120.500 0.140 0.000 2.082 33 R HA -0.120 4.213 4.340 -0.012 0.000 0.234 33 R C 1.817 178.204 176.300 0.144 0.000 1.136 33 R CA 1.564 57.769 56.100 0.174 0.000 0.935 33 R CB -0.531 29.753 30.300 -0.026 0.000 0.842 33 R HN 0.429 nan 8.270 nan 0.000 0.430 34 H N -0.189 118.933 119.070 0.088 0.000 2.352 34 H HA -0.162 4.387 4.556 -0.012 0.000 0.299 34 H C 1.873 177.147 175.328 -0.089 0.000 1.097 34 H CA 1.584 57.614 56.048 -0.031 0.000 1.311 34 H CB -0.041 29.664 29.762 -0.096 0.000 1.377 34 H HN 0.092 nan 8.280 nan 0.000 0.504 35 L N -0.120 121.099 121.223 -0.007 0.000 2.131 35 L HA -0.175 4.158 4.340 -0.012 0.000 0.210 35 L C 2.103 178.967 176.870 -0.009 0.000 1.092 35 L CA 1.816 56.622 54.840 -0.056 0.000 0.759 35 L CB -0.418 41.609 42.059 -0.052 0.000 0.903 35 L HN 0.299 nan 8.230 nan 0.000 0.435 36 H N -1.873 117.134 119.070 -0.105 0.000 2.284 36 H HA -0.005 4.544 4.556 -0.012 0.000 0.314 36 H C 1.825 176.957 175.328 -0.326 0.000 1.058 36 H CA 2.043 57.937 56.048 -0.257 0.000 1.394 36 H CB -0.300 29.229 29.762 -0.389 0.000 1.431 36 H HN 0.248 nan 8.280 nan 0.000 0.537 37 F N -0.232 119.706 119.950 -0.021 0.000 2.206 37 F HA -0.055 4.465 4.527 -0.012 0.000 0.298 37 F C 2.523 178.246 175.800 -0.128 0.000 1.090 37 F CA 1.507 59.446 58.000 -0.102 0.000 1.323 37 F CB -0.343 38.623 39.000 -0.057 0.000 1.028 37 F HN 0.197 nan 8.300 nan 0.000 0.492 38 T N -0.579 114.003 114.554 0.048 0.000 2.983 38 T HA 0.036 4.379 4.350 -0.012 0.000 0.250 38 T C 1.665 176.273 174.700 -0.153 0.000 1.037 38 T CA 0.618 62.675 62.100 -0.071 0.000 1.142 38 T CB -0.122 68.679 68.868 -0.111 0.000 0.876 38 T HN -0.050 nan 8.240 nan 0.000 0.455 39 L N 1.026 122.164 121.223 -0.142 0.000 2.477 39 L HA 0.296 4.629 4.340 -0.012 0.000 0.220 39 L C 0.671 177.449 176.870 -0.154 0.000 1.106 39 L CA 0.304 55.050 54.840 -0.157 0.000 0.851 39 L CB -0.620 41.361 42.059 -0.130 0.000 0.994 39 L HN 0.047 nan 8.230 nan 0.000 0.462 40 V N 0.109 119.915 119.914 -0.180 0.000 5.949 40 V HA -0.296 3.817 4.120 -0.012 0.000 0.287 40 V C 0.522 176.505 176.094 -0.184 0.000 0.603 40 V CA 0.828 62.989 62.300 -0.231 0.000 0.608 40 V CB -2.097 29.613 31.823 -0.189 0.000 0.259 40 V HN 0.384 nan 8.190 nan 0.000 0.742 41 K N 1.306 121.613 120.400 -0.156 0.000 2.433 41 K HA 0.699 5.012 4.320 -0.012 0.000 0.252 41 K C -0.606 175.969 176.600 -0.041 0.000 1.015 41 K CA -0.551 55.678 56.287 -0.096 0.000 0.860 41 K CB 2.673 35.119 32.500 -0.090 0.000 1.359 41 K HN 0.602 nan 8.250 nan 0.000 0.452 42 D N 0.493 120.888 120.400 -0.008 0.000 2.646 42 D HA 0.256 4.889 4.640 -0.012 0.000 0.245 42 D C 0.578 176.913 176.300 0.057 0.000 1.099 42 D CA -0.584 53.444 54.000 0.046 0.000 0.849 42 D CB 1.578 42.401 40.800 0.038 0.000 1.448 42 D HN 0.189 nan 8.370 nan 0.000 0.489 43 R N 1.495 122.060 120.500 0.108 0.000 2.228 43 R HA -0.198 4.135 4.340 -0.012 0.000 0.264 43 R C 1.127 177.500 176.300 0.123 0.000 1.179 43 R CA 1.203 57.401 56.100 0.164 0.000 0.998 43 R CB -0.812 29.587 30.300 0.164 0.000 0.885 43 R HN 0.622 nan 8.270 nan 0.000 0.466 44 N N 0.455 119.198 118.700 0.072 0.000 2.512 44 N HA -0.071 4.662 4.740 -0.012 0.000 0.183 44 N C 1.279 176.809 175.510 0.033 0.000 1.073 44 N CA 1.378 54.459 53.050 0.053 0.000 0.911 44 N CB 0.376 38.885 38.487 0.036 0.000 0.964 44 N HN 0.218 nan 8.380 nan 0.000 0.447 45 V N -2.939 116.982 119.914 0.013 0.000 3.398 45 V HA 0.454 4.567 4.120 -0.012 0.000 0.298 45 V C 0.664 176.727 176.094 -0.051 0.000 1.496 45 V CA -0.635 61.659 62.300 -0.011 0.000 1.044 45 V CB -0.098 31.714 31.823 -0.018 0.000 0.880 45 V HN 0.018 nan 8.190 nan 0.000 0.443 46 A N 2.134 124.902 122.820 -0.087 0.000 2.450 46 A HA 0.607 4.920 4.320 -0.012 0.000 0.255 46 A C 0.723 178.111 177.584 -0.327 0.000 1.096 46 A CA 0.790 52.660 52.037 -0.279 0.000 0.778 46 A CB -0.013 18.714 19.000 -0.455 0.000 1.031 46 A HN 0.734 nan 8.150 nan 0.000 0.494 47 T N 0.149 114.521 114.554 -0.305 0.000 2.948 47 T HA 0.590 4.933 4.350 -0.012 0.000 0.285 47 T C -2.139 172.462 174.700 -0.166 0.000 1.019 47 T CA -1.807 60.206 62.100 -0.144 0.000 1.013 47 T CB 1.253 70.099 68.868 -0.036 0.000 1.117 47 T HN 0.235 nan 8.240 nan 0.000 0.533 48 P HA -0.060 nan 4.420 nan 0.000 0.218 48 P C 1.542 178.962 177.300 0.199 0.000 1.148 48 P CA 0.854 64.096 63.100 0.236 0.000 0.822 48 P CB 0.048 31.859 31.700 0.185 0.000 0.784 49 R N 0.052 120.624 120.500 0.120 0.000 2.092 49 R HA -0.124 4.209 4.340 -0.012 0.000 0.231 49 R C 1.621 178.115 176.300 0.324 0.000 1.119 49 R CA 1.690 57.908 56.100 0.198 0.000 0.970 49 R CB -0.628 29.749 30.300 0.128 0.000 0.864 49 R HN 0.076 nan 8.270 nan 0.000 0.440 50 D N -0.289 120.184 120.400 0.122 0.000 2.117 50 D HA -0.184 4.449 4.640 -0.012 0.000 0.197 50 D C 1.726 178.078 176.300 0.087 0.000 0.987 50 D CA 1.256 55.291 54.000 0.059 0.000 0.829 50 D CB -0.346 40.346 40.800 -0.180 0.000 0.961 50 D HN 0.281 nan 8.370 nan 0.000 0.460 51 Y N 0.213 120.629 120.300 0.194 0.000 2.181 51 Y HA -0.219 4.324 4.550 -0.011 0.000 0.288 51 Y C 2.353 178.396 175.900 0.238 0.000 1.146 51 Y CA 0.330 58.589 58.100 0.265 0.000 1.164 51 Y CB -1.171 37.501 38.460 0.353 0.000 0.982 51 Y HN 0.106 nan 8.280 nan 0.000 0.515 52 Y N -0.642 119.812 120.300 0.257 0.000 2.181 52 Y HA -0.253 4.290 4.550 -0.012 0.000 0.288 52 Y C 1.935 177.806 175.900 -0.047 0.000 1.146 52 Y CA 1.162 59.306 58.100 0.073 0.000 1.164 52 Y CB -1.071 37.331 38.460 -0.096 0.000 0.982 52 Y HN 0.013 nan 8.280 nan 0.000 0.515 53 F N 0.351 120.073 119.950 -0.379 0.000 2.186 53 F HA -0.085 4.435 4.527 -0.011 0.000 0.299 53 F C 2.660 178.289 175.800 -0.286 0.000 1.090 53 F CA 1.424 59.149 58.000 -0.458 0.000 1.307 53 F CB -1.074 37.842 39.000 -0.140 0.000 1.019 53 F HN 0.188 nan 8.300 nan 0.000 0.489 54 A N -0.258 122.503 122.820 -0.098 0.000 1.902 54 A HA -0.181 4.132 4.320 -0.012 0.000 0.217 54 A C 2.110 179.566 177.584 -0.215 0.000 1.181 54 A CA 1.663 53.513 52.037 -0.312 0.000 0.623 54 A CB -1.046 17.398 19.000 -0.927 0.000 0.818 54 A HN 0.345 nan 8.150 nan 0.000 0.443 55 L N -0.346 120.861 121.223 -0.028 0.000 2.027 55 L HA 0.018 4.351 4.340 -0.012 0.000 0.206 55 L C 2.706 179.563 176.870 -0.021 0.000 1.074 55 L CA 2.138 57.092 54.840 0.190 0.000 0.745 55 L CB -0.948 41.293 42.059 0.304 0.000 0.898 55 L HN 0.338 nan 8.230 nan 0.000 0.433 56 A N -1.118 121.515 122.820 -0.311 0.000 1.892 56 A HA -0.314 3.999 4.320 -0.012 0.000 0.218 56 A C 2.172 179.433 177.584 -0.538 0.000 1.188 56 A CA 2.188 53.935 52.037 -0.483 0.000 0.631 56 A CB -1.191 17.179 19.000 -1.049 0.000 0.822 56 A HN 0.688 nan 8.150 nan 0.000 0.447 57 H N -0.901 117.863 119.070 -0.510 0.000 2.387 57 H HA -0.060 4.489 4.556 -0.012 0.000 0.299 57 H C 2.356 177.402 175.328 -0.471 0.000 1.090 57 H CA 1.998 57.671 56.048 -0.625 0.000 1.332 57 H CB -0.130 29.030 29.762 -1.003 0.000 1.386 57 H HN 0.483 nan 8.280 nan 0.000 0.516 58 T N -0.416 114.065 114.554 -0.122 0.000 2.777 58 T HA -0.128 4.215 4.350 -0.012 0.000 0.266 58 T C 2.253 177.116 174.700 0.272 0.000 1.040 58 T CA 1.294 63.507 62.100 0.189 0.000 1.141 58 T CB -0.371 68.683 68.868 0.310 0.000 0.868 58 T HN 0.094 nan 8.240 nan 0.000 0.444 59 V N 1.717 121.763 119.914 0.220 0.000 2.358 59 V HA -0.123 3.990 4.120 -0.012 0.000 0.246 59 V C 2.626 178.911 176.094 0.319 0.000 1.047 59 V CA 1.584 64.060 62.300 0.293 0.000 1.035 59 V CB -0.631 31.360 31.823 0.281 0.000 0.658 59 V HN 0.389 nan 8.190 nan 0.000 0.452 60 R N 0.152 120.795 120.500 0.239 0.000 2.127 60 R HA -0.213 4.120 4.340 -0.012 0.000 0.238 60 R C 1.857 178.272 176.300 0.191 0.000 1.134 60 R CA 1.928 58.175 56.100 0.246 0.000 0.975 60 R CB -0.393 29.904 30.300 -0.005 0.000 0.865 60 R HN 0.456 nan 8.270 nan 0.000 0.447 61 D N -0.060 120.433 120.400 0.156 0.000 2.144 61 D HA -0.148 4.485 4.640 -0.012 0.000 0.199 61 D C 1.655 177.977 176.300 0.036 0.000 0.984 61 D CA 1.063 55.122 54.000 0.098 0.000 0.834 61 D CB -0.297 40.548 40.800 0.076 0.000 0.955 61 D HN 0.441 nan 8.370 nan 0.000 0.465 62 H N -0.270 118.866 119.070 0.110 0.000 2.524 62 H HA 0.010 4.559 4.556 -0.011 0.000 0.282 62 H C 1.907 177.277 175.328 0.070 0.000 1.016 62 H CA 0.649 56.746 56.048 0.080 0.000 1.270 62 H CB 0.421 30.221 29.762 0.065 0.000 1.394 62 H HN 0.258 nan 8.280 nan 0.000 0.568 63 L N -1.230 120.103 121.223 0.184 0.000 2.766 63 L HA 0.175 4.508 4.340 -0.012 0.000 0.242 63 L C 1.861 178.840 176.870 0.182 0.000 1.136 63 L CA -0.014 54.901 54.840 0.126 0.000 0.933 63 L CB 0.008 42.094 42.059 0.044 0.000 1.241 63 L HN -0.122 nan 8.230 nan 0.000 0.522 64 V N -2.326 117.719 119.914 0.218 0.000 2.453 64 V HA 0.112 4.225 4.120 -0.012 0.000 0.247 64 V C 2.497 178.717 176.094 0.211 0.000 1.048 64 V CA 1.487 63.970 62.300 0.305 0.000 1.049 64 V CB -1.635 30.328 31.823 0.233 0.000 0.672 64 V HN 0.349 nan 8.190 nan 0.000 0.457 65 G N 0.247 109.122 108.800 0.125 0.000 2.446 65 G HA2 -0.241 3.712 3.960 -0.012 0.000 0.217 65 G HA3 -0.241 3.712 3.960 -0.012 0.000 0.217 65 G C 1.806 176.756 174.900 0.083 0.000 1.168 65 G CA 1.015 46.161 45.100 0.077 0.000 0.771 65 G HN 0.489 nan 8.290 nan 0.000 0.551 66 R N -1.463 119.095 120.500 0.097 0.000 2.092 66 R HA -0.059 4.274 4.340 -0.012 0.000 0.231 66 R C 2.252 178.632 176.300 0.134 0.000 1.119 66 R CA 1.005 57.149 56.100 0.072 0.000 0.970 66 R CB -0.334 29.991 30.300 0.043 0.000 0.864 66 R HN 0.480 nan 8.270 nan 0.000 0.440 67 W N 1.431 122.710 121.300 -0.035 0.000 2.335 67 W HA -0.114 4.539 4.660 -0.011 0.000 0.311 67 W C 1.649 178.137 176.519 -0.052 0.000 1.213 67 W CA 1.062 58.382 57.345 -0.041 0.000 1.274 67 W CB -0.573 28.883 29.460 -0.006 0.000 1.148 67 W HN -0.002 nan 8.180 nan 0.000 0.498 68 I N 0.777 121.402 120.570 0.091 0.000 2.252 68 I HA -0.318 3.845 4.170 -0.012 0.000 0.245 68 I C 2.572 178.669 176.117 -0.033 0.000 1.102 68 I CA 1.633 62.902 61.300 -0.053 0.000 1.385 68 I CB -0.433 37.539 38.000 -0.046 0.000 1.064 68 I HN -0.035 nan 8.210 nan 0.000 0.414 69 R N -0.155 120.342 120.500 -0.005 0.000 2.119 69 R HA -0.021 4.312 4.340 -0.012 0.000 0.222 69 R C 2.049 178.311 176.300 -0.062 0.000 1.088 69 R CA 1.431 57.521 56.100 -0.017 0.000 0.984 69 R CB -1.138 29.153 30.300 -0.014 0.000 0.884 69 R HN 0.204 nan 8.270 nan 0.000 0.447 70 T N 1.676 116.164 114.554 -0.111 0.000 2.708 70 T HA -0.113 4.230 4.350 -0.012 0.000 0.266 70 T C 1.868 176.264 174.700 -0.508 0.000 1.037 70 T CA 1.302 63.211 62.100 -0.319 0.000 1.146 70 T CB -0.098 68.628 68.868 -0.236 0.000 0.865 70 T HN 0.202 nan 8.240 nan 0.000 0.435 71 Q N 0.740 120.403 119.800 -0.227 0.000 2.119 71 Q HA -0.058 4.275 4.340 -0.012 0.000 0.201 71 Q C 2.365 178.372 176.000 0.011 0.000 0.972 71 Q CA 1.223 56.967 55.803 -0.098 0.000 0.847 71 Q CB -0.551 28.170 28.738 -0.028 0.000 0.903 71 Q HN 0.474 nan 8.270 nan 0.000 0.433 72 Q N 0.203 120.005 119.800 0.003 0.000 2.124 72 Q HA -0.181 4.152 4.340 -0.012 0.000 0.202 72 Q C 1.867 177.962 176.000 0.157 0.000 0.977 72 Q CA 1.940 57.793 55.803 0.084 0.000 0.850 72 Q CB -0.393 28.371 28.738 0.043 0.000 0.901 72 Q HN 0.564 nan 8.270 nan 0.000 0.429 73 H N -0.882 118.171 119.070 -0.029 0.000 2.267 73 H HA -0.182 4.367 4.556 -0.011 0.000 0.297 73 H C 1.188 176.595 175.328 0.132 0.000 1.080 73 H CA 2.398 58.445 56.048 -0.001 0.000 1.278 73 H CB -0.407 29.290 29.762 -0.109 0.000 1.365 73 H HN 0.347 nan 8.280 nan 0.000 0.489 74 Y N -0.909 119.481 120.300 0.151 0.000 2.384 74 Y HA -0.219 4.324 4.550 -0.012 0.000 0.289 74 Y C 2.375 178.323 175.900 0.079 0.000 1.152 74 Y CA 1.043 59.195 58.100 0.086 0.000 1.258 74 Y CB -1.278 37.276 38.460 0.157 0.000 0.979 74 Y HN 0.434 nan 8.280 nan 0.000 0.549 75 Y N 0.877 121.269 120.300 0.153 0.000 2.286 75 Y HA -0.084 4.459 4.550 -0.012 0.000 0.293 75 Y C 2.001 177.919 175.900 0.031 0.000 1.124 75 Y CA 1.302 59.457 58.100 0.091 0.000 1.178 75 Y CB 0.012 38.512 38.460 0.066 0.000 1.010 75 Y HN 0.017 nan 8.280 nan 0.000 0.536 76 E N 0.279 120.429 120.200 -0.084 0.000 2.021 76 E HA -0.126 4.217 4.350 -0.012 0.000 0.189 76 E C 1.961 178.436 176.600 -0.208 0.000 0.980 76 E CA 0.949 57.240 56.400 -0.182 0.000 0.803 76 E CB -0.148 29.511 29.700 -0.068 0.000 0.766 76 E HN 0.315 nan 8.360 nan 0.000 0.449 77 K N 0.876 121.140 120.400 -0.226 0.000 2.148 77 K HA -0.104 4.209 4.320 -0.012 0.000 0.204 77 K C 0.237 176.773 176.600 -0.107 0.000 1.050 77 K CA 0.744 56.919 56.287 -0.187 0.000 0.942 77 K CB -0.533 31.802 32.500 -0.275 0.000 0.724 77 K HN 0.130 nan 8.250 nan 0.000 0.446 78 D N 0.230 120.586 120.400 -0.074 0.000 2.828 78 D HA -0.098 4.535 4.640 -0.012 0.000 0.241 78 D C -2.403 173.898 176.300 0.002 0.000 1.142 78 D CA 0.085 54.069 54.000 -0.027 0.000 0.755 78 D CB -0.241 40.519 40.800 -0.066 0.000 1.014 78 D HN 0.151 nan 8.370 nan 0.000 0.420 79 P HA 0.189 nan 4.420 nan 0.000 0.282 79 P C -0.321 176.964 177.300 -0.025 0.000 1.287 79 P CA -0.730 62.359 63.100 -0.018 0.000 0.792 79 P CB 0.575 32.248 31.700 -0.045 0.000 1.163 80 K N 0.691 121.072 120.400 -0.033 0.000 2.368 80 K HA 0.115 4.429 4.320 -0.012 0.000 0.282 80 K C -0.197 176.328 176.600 -0.124 0.000 1.035 80 K CA -0.138 56.120 56.287 -0.049 0.000 0.973 80 K CB 0.216 32.700 32.500 -0.027 0.000 0.957 80 K HN 0.194 nan 8.250 nan 0.000 0.474 81 R N 3.851 124.258 120.500 -0.155 0.000 2.312 81 R HA 0.320 4.653 4.340 -0.012 0.000 0.311 81 R C -0.551 175.468 176.300 -0.467 0.000 1.004 81 R CA -0.444 55.480 56.100 -0.293 0.000 0.902 81 R CB 0.775 30.894 30.300 -0.301 0.000 1.073 81 R HN 0.524 nan 8.270 nan 0.000 0.457 82 I N 4.888 125.149 120.570 -0.515 0.000 2.312 82 I HA 0.201 4.364 4.170 -0.012 0.000 0.290 82 I C -0.586 175.250 176.117 -0.469 0.000 1.008 82 I CA -0.727 60.212 61.300 -0.601 0.000 1.226 82 I CB 0.614 38.139 38.000 -0.791 0.000 1.371 82 I HN 0.512 nan 8.210 nan 0.000 0.468 83 Y N 5.933 126.193 120.300 -0.067 0.000 2.356 83 Y HA 0.276 4.819 4.550 -0.011 0.000 0.334 83 Y C -0.225 175.771 175.900 0.161 0.000 0.958 83 Y CA -0.730 57.455 58.100 0.143 0.000 1.196 83 Y CB 1.082 39.577 38.460 0.058 0.000 1.137 83 Y HN 0.401 nan 8.280 nan 0.000 0.485 84 Y N 4.652 125.141 120.300 0.315 0.000 2.518 84 Y HA 0.456 5.000 4.550 -0.011 0.000 0.344 84 Y C -1.142 175.028 175.900 0.450 0.000 0.982 84 Y CA -0.910 57.382 58.100 0.321 0.000 1.234 84 Y CB 0.190 38.842 38.460 0.319 0.000 1.114 84 Y HN 0.525 nan 8.280 nan 0.000 0.515 85 L N 4.940 126.224 121.223 0.101 0.000 2.281 85 L HA 0.456 4.789 4.340 -0.012 0.000 0.285 85 L C -0.149 176.731 176.870 0.016 0.000 1.074 85 L CA 0.220 55.167 54.840 0.179 0.000 0.817 85 L CB 1.246 43.371 42.059 0.109 0.000 1.168 85 L HN 0.579 nan 8.230 nan 0.000 0.434 86 S N 2.727 118.510 115.700 0.139 0.000 2.533 86 S HA 0.473 4.936 4.470 -0.012 0.000 0.271 86 S C 0.118 174.776 174.600 0.098 0.000 1.143 86 S CA -0.561 57.615 58.200 -0.040 0.000 0.891 86 S CB 1.009 63.972 63.200 -0.395 0.000 1.105 86 S HN 0.459 nan 8.310 nan 0.000 0.468 87 L N 2.769 124.100 121.223 0.181 0.000 2.591 87 L HA 0.468 4.801 4.340 -0.012 0.000 0.228 87 L C 0.391 177.441 176.870 0.299 0.000 1.133 87 L CA 0.960 55.975 54.840 0.292 0.000 0.880 87 L CB -0.093 42.146 42.059 0.301 0.000 1.033 87 L HN 0.672 nan 8.230 nan 0.000 0.450 88 E N -1.315 118.924 120.200 0.064 0.000 2.272 88 E HA 0.413 4.756 4.350 -0.012 0.000 0.269 88 E C -1.420 175.034 176.600 -0.243 0.000 0.877 88 E CA -0.468 55.951 56.400 0.032 0.000 0.755 88 E CB 1.857 31.564 29.700 0.011 0.000 1.192 88 E HN -0.183 nan 8.360 nan 0.000 0.422 89 F N 2.234 122.289 119.950 0.176 0.000 2.949 89 F HA 0.164 4.683 4.527 -0.012 0.000 0.376 89 F C -0.914 174.972 175.800 0.144 0.000 1.205 89 F CA -0.672 57.424 58.000 0.161 0.000 1.155 89 F CB 0.798 39.889 39.000 0.150 0.000 1.495 89 F HN 0.491 nan 8.300 nan 0.000 0.551 90 Y N 4.988 125.370 120.300 0.136 0.000 2.570 90 Y HA 0.171 4.715 4.550 -0.011 0.000 0.336 90 Y C 1.166 177.091 175.900 0.042 0.000 1.284 90 Y CA -0.790 57.339 58.100 0.049 0.000 1.761 90 Y CB 0.219 38.692 38.460 0.021 0.000 1.724 90 Y HN 0.503 nan 8.280 nan 0.000 0.455 91 M N 1.018 120.750 119.600 0.219 0.000 2.156 91 M HA 0.097 4.570 4.480 -0.012 0.000 0.264 91 M C 1.561 177.838 176.300 -0.039 0.000 1.067 91 M CA 1.243 56.580 55.300 0.062 0.000 1.131 91 M CB -1.274 31.338 32.600 0.020 0.000 1.368 91 M HN 0.633 nan 8.290 nan 0.000 0.416 92 G N 0.781 109.565 108.800 -0.027 0.000 2.632 92 G HA2 -0.246 3.707 3.960 -0.012 0.000 0.224 92 G HA3 -0.246 3.707 3.960 -0.012 0.000 0.224 92 G C -0.496 174.359 174.900 -0.075 0.000 1.341 92 G CA -0.399 44.650 45.100 -0.086 0.000 0.880 92 G HN 0.438 nan 8.290 nan 0.000 0.566 93 R N -0.528 119.914 120.500 -0.097 0.000 2.615 93 R HA 0.552 4.885 4.340 -0.012 0.000 0.270 93 R C 1.558 177.754 176.300 -0.173 0.000 1.081 93 R CA 0.472 56.528 56.100 -0.073 0.000 1.154 93 R CB 0.753 31.011 30.300 -0.069 0.000 1.063 93 R HN 0.909 nan 8.270 nan 0.000 0.519 94 T N -0.290 114.115 114.554 -0.248 0.000 3.043 94 T HA 0.046 4.389 4.350 -0.012 0.000 0.272 94 T C 1.139 175.463 174.700 -0.626 0.000 0.990 94 T CA -0.269 61.503 62.100 -0.546 0.000 0.897 94 T CB 0.198 68.518 68.868 -0.912 0.000 1.111 94 T HN 0.336 nan 8.240 nan 0.000 0.529 95 L N 1.739 122.834 121.223 -0.214 0.000 1.988 95 L HA 0.201 4.534 4.340 -0.012 0.000 0.207 95 L C 2.604 179.443 176.870 -0.052 0.000 1.071 95 L CA 2.195 57.050 54.840 0.024 0.000 0.744 95 L CB -0.928 41.360 42.059 0.382 0.000 0.893 95 L HN 0.392 nan 8.230 nan 0.000 0.433 96 Q N -0.596 119.174 119.800 -0.051 0.000 2.050 96 Q HA -0.263 4.070 4.340 -0.012 0.000 0.202 96 Q C 2.204 178.133 176.000 -0.117 0.000 0.980 96 Q CA 1.946 57.710 55.803 -0.064 0.000 0.840 96 Q CB -0.378 28.319 28.738 -0.067 0.000 0.898 96 Q HN 0.699 nan 8.270 nan 0.000 0.424 97 N N -1.041 117.551 118.700 -0.181 0.000 2.272 97 N HA -0.139 4.594 4.740 -0.012 0.000 0.185 97 N C 1.169 176.566 175.510 -0.187 0.000 1.014 97 N CA 1.639 54.570 53.050 -0.199 0.000 0.870 97 N CB 0.104 38.438 38.487 -0.255 0.000 0.975 97 N HN 0.238 nan 8.380 nan 0.000 0.433 98 T N 0.742 115.155 114.554 -0.234 0.000 2.896 98 T HA 0.053 4.397 4.350 -0.012 0.000 0.263 98 T C 2.011 176.640 174.700 -0.117 0.000 1.050 98 T CA 0.587 62.559 62.100 -0.213 0.000 1.140 98 T CB 0.062 68.750 68.868 -0.300 0.000 0.877 98 T HN 0.227 nan 8.240 nan 0.000 0.457 99 M N 0.522 120.070 119.600 -0.086 0.000 2.132 99 M HA -0.071 4.402 4.480 -0.012 0.000 0.263 99 M C 2.397 178.659 176.300 -0.063 0.000 1.065 99 M CA 1.201 56.465 55.300 -0.059 0.000 1.122 99 M CB -0.422 32.160 32.600 -0.030 0.000 1.365 99 M HN 0.090 nan 8.290 nan 0.000 0.411 100 V N 0.861 120.742 119.914 -0.054 0.000 2.295 100 V HA -0.269 3.844 4.120 -0.012 0.000 0.246 100 V C 1.665 177.761 176.094 0.004 0.000 1.049 100 V CA 1.856 64.149 62.300 -0.012 0.000 1.024 100 V CB -0.820 30.998 31.823 -0.008 0.000 0.648 100 V HN 0.474 nan 8.190 nan 0.000 0.447 101 N N -0.365 118.323 118.700 -0.020 0.000 2.512 101 N HA -0.026 4.707 4.740 -0.012 0.000 0.183 101 N C 0.980 176.387 175.510 -0.171 0.000 1.073 101 N CA 0.612 53.630 53.050 -0.053 0.000 0.911 101 N CB 0.029 38.497 38.487 -0.031 0.000 0.964 101 N HN 0.276 nan 8.380 nan 0.000 0.447 102 L N -0.425 120.716 121.223 -0.137 0.000 2.766 102 L HA 0.423 4.756 4.340 -0.012 0.000 0.242 102 L C 0.462 177.246 176.870 -0.143 0.000 1.136 102 L CA -0.302 54.458 54.840 -0.134 0.000 0.933 102 L CB -0.740 41.263 42.059 -0.094 0.000 1.241 102 L HN 0.071 nan 8.230 nan 0.000 0.522 103 A N -0.312 122.421 122.820 -0.145 0.000 2.846 103 A HA -0.215 4.098 4.320 -0.012 0.000 0.287 103 A C 1.008 178.532 177.584 -0.100 0.000 1.469 103 A CA 0.964 52.929 52.037 -0.120 0.000 0.757 103 A CB -1.906 17.011 19.000 -0.138 0.000 1.033 103 A HN 0.222 nan 8.150 nan 0.000 0.516 104 L N -0.994 120.170 121.223 -0.099 0.000 2.731 104 L HA 0.270 4.603 4.340 -0.012 0.000 0.240 104 L C 1.808 178.638 176.870 -0.067 0.000 1.120 104 L CA 1.517 56.291 54.840 -0.109 0.000 0.913 104 L CB -0.182 41.783 42.059 -0.156 0.000 1.213 104 L HN 0.618 nan 8.230 nan 0.000 0.515 105 E N -0.128 120.044 120.200 -0.048 0.000 2.070 105 E HA -0.259 4.084 4.350 -0.012 0.000 0.197 105 E C 1.593 178.179 176.600 -0.023 0.000 1.004 105 E CA 1.690 58.073 56.400 -0.027 0.000 0.805 105 E CB 0.243 29.930 29.700 -0.022 0.000 0.744 105 E HN 0.386 nan 8.360 nan 0.000 0.451 106 N N -0.290 118.393 118.700 -0.029 0.000 2.216 106 N HA -0.065 4.669 4.740 -0.012 0.000 0.183 106 N C 1.488 176.982 175.510 -0.027 0.000 1.017 106 N CA 1.173 54.206 53.050 -0.029 0.000 0.861 106 N CB -0.361 38.108 38.487 -0.030 0.000 0.986 106 N HN 0.235 nan 8.380 nan 0.000 0.428 107 A N 0.344 123.146 122.820 -0.030 0.000 1.877 107 A HA -0.152 4.161 4.320 -0.012 0.000 0.216 107 A C 2.619 180.196 177.584 -0.012 0.000 1.186 107 A CA 1.392 53.414 52.037 -0.024 0.000 0.620 107 A CB -1.048 17.929 19.000 -0.038 0.000 0.822 107 A HN 0.438 nan 8.150 nan 0.000 0.443 108 C N -0.851 118.441 119.300 -0.013 0.000 2.440 108 C HA -0.063 4.390 4.460 -0.012 0.000 0.278 108 C C 2.471 177.467 174.990 0.009 0.000 1.295 108 C CA 1.048 60.072 59.018 0.009 0.000 1.738 108 C CB -1.091 26.663 27.740 0.024 0.000 1.987 108 C HN 0.669 nan 8.230 nan 0.000 0.492 109 D N 0.675 121.077 120.400 0.004 0.000 2.097 109 D HA -0.136 4.497 4.640 -0.012 0.000 0.195 109 D C 2.125 178.438 176.300 0.022 0.000 0.989 109 D CA 1.511 55.516 54.000 0.009 0.000 0.827 109 D CB -0.254 40.539 40.800 -0.012 0.000 0.966 109 D HN 0.480 nan 8.370 nan 0.000 0.456 110 E N 0.547 120.750 120.200 0.005 0.000 2.017 110 E HA -0.105 4.238 4.350 -0.012 0.000 0.193 110 E C 1.924 178.569 176.600 0.075 0.000 0.997 110 E CA 1.840 58.257 56.400 0.029 0.000 0.804 110 E CB -0.655 29.047 29.700 0.003 0.000 0.757 110 E HN 0.186 nan 8.360 nan 0.000 0.448 111 A N -0.119 122.714 122.820 0.020 0.000 1.892 111 A HA -0.262 4.051 4.320 -0.012 0.000 0.218 111 A C 2.528 180.054 177.584 -0.096 0.000 1.188 111 A CA 3.259 55.283 52.037 -0.020 0.000 0.631 111 A CB -1.636 17.353 19.000 -0.018 0.000 0.822 111 A HN 0.554 nan 8.150 nan 0.000 0.447 112 T N -3.789 110.699 114.554 -0.111 0.000 2.867 112 T HA -0.195 4.148 4.350 -0.012 0.000 0.268 112 T C 1.797 176.416 174.700 -0.134 0.000 1.057 112 T CA 1.503 63.472 62.100 -0.219 0.000 1.136 112 T CB -0.534 68.247 68.868 -0.145 0.000 0.874 112 T HN 0.511 nan 8.240 nan 0.000 0.466 113 Y N 2.087 122.308 120.300 -0.131 0.000 2.114 113 Y HA -0.066 4.477 4.550 -0.011 0.000 0.284 113 Y C 2.669 178.507 175.900 -0.103 0.000 1.143 113 Y CA 1.522 59.563 58.100 -0.097 0.000 1.135 113 Y CB -0.516 37.906 38.460 -0.063 0.000 0.980 113 Y HN 0.201 nan 8.280 nan 0.000 0.499 114 Q N -0.726 119.027 119.800 -0.080 0.000 2.226 114 Q HA -0.151 4.182 4.340 -0.012 0.000 0.204 114 Q C 1.647 177.517 176.000 -0.216 0.000 0.975 114 Q CA 1.050 56.760 55.803 -0.156 0.000 0.866 114 Q CB -0.132 28.595 28.738 -0.019 0.000 0.915 114 Q HN 0.358 nan 8.270 nan 0.000 0.440 115 L N -0.653 120.426 121.223 -0.240 0.000 2.610 115 L HA 0.089 4.423 4.340 -0.012 0.000 0.232 115 L C 1.116 177.811 176.870 -0.292 0.000 1.149 115 L CA 1.371 56.043 54.840 -0.280 0.000 0.872 115 L CB -0.627 41.161 42.059 -0.452 0.000 0.992 115 L HN 0.357 nan 8.230 nan 0.000 0.447 116 G N -0.296 108.316 108.800 -0.314 0.000 2.160 116 G HA2 -0.256 3.697 3.960 -0.012 0.000 0.244 116 G HA3 -0.256 3.697 3.960 -0.012 0.000 0.244 116 G C 0.086 174.839 174.900 -0.246 0.000 1.022 116 G CA 0.423 45.347 45.100 -0.293 0.000 0.741 116 G HN 0.316 nan 8.290 nan 0.000 0.508 117 L N -0.472 120.606 121.223 -0.242 0.000 2.341 117 L HA 0.635 4.969 4.340 -0.012 0.000 0.267 117 L C -0.534 176.301 176.870 -0.058 0.000 1.009 117 L CA -1.223 53.511 54.840 -0.176 0.000 0.819 117 L CB 1.853 43.747 42.059 -0.274 0.000 1.323 117 L HN 0.061 nan 8.230 nan 0.000 0.425 118 D N 1.680 122.078 120.400 -0.003 0.000 2.359 118 D HA 0.182 4.815 4.640 -0.012 0.000 0.230 118 D C 0.596 176.929 176.300 0.056 0.000 1.118 118 D CA -0.267 53.760 54.000 0.046 0.000 0.844 118 D CB 1.598 42.430 40.800 0.054 0.000 1.059 118 D HN 0.521 nan 8.370 nan 0.000 0.493 119 M N 3.327 122.961 119.600 0.058 0.000 2.108 119 M HA -0.159 4.314 4.480 -0.012 0.000 0.261 119 M C 1.480 177.827 176.300 0.079 0.000 1.066 119 M CA 1.585 56.929 55.300 0.073 0.000 1.107 119 M CB 0.155 32.791 32.600 0.059 0.000 1.356 119 M HN 0.421 nan 8.290 nan 0.000 0.406 120 E N -0.260 119.977 120.200 0.062 0.000 2.118 120 E HA -0.277 4.066 4.350 -0.012 0.000 0.195 120 E C 1.864 178.500 176.600 0.060 0.000 0.992 120 E CA 1.559 57.992 56.400 0.056 0.000 0.804 120 E CB -0.167 29.564 29.700 0.051 0.000 0.741 120 E HN 0.648 nan 8.360 nan 0.000 0.458 121 E N 0.200 120.440 120.200 0.067 0.000 2.152 121 E HA -0.178 4.165 4.350 -0.012 0.000 0.192 121 E C 1.834 178.478 176.600 0.072 0.000 0.983 121 E CA 0.458 56.898 56.400 0.066 0.000 0.818 121 E CB 0.214 29.956 29.700 0.070 0.000 0.758 121 E HN 0.085 nan 8.360 nan 0.000 0.467 122 L N 1.094 122.380 121.223 0.106 0.000 2.131 122 L HA -0.048 4.285 4.340 -0.012 0.000 0.206 122 L C 2.022 178.941 176.870 0.082 0.000 1.087 122 L CA 1.474 56.408 54.840 0.156 0.000 0.767 122 L CB -0.415 41.796 42.059 0.253 0.000 0.917 122 L HN 0.086 nan 8.230 nan 0.000 0.441 123 E N -0.557 119.686 120.200 0.071 0.000 2.153 123 E HA -0.194 4.149 4.350 -0.012 0.000 0.194 123 E C 1.780 178.326 176.600 -0.089 0.000 0.988 123 E CA 0.814 57.223 56.400 0.015 0.000 0.811 123 E CB 0.078 29.799 29.700 0.036 0.000 0.746 123 E HN 0.364 nan 8.360 nan 0.000 0.466 124 E N 0.065 120.235 120.200 -0.050 0.000 2.409 124 E HA -0.120 4.223 4.350 -0.012 0.000 0.198 124 E C 1.753 178.279 176.600 -0.122 0.000 1.024 124 E CA 0.570 56.941 56.400 -0.048 0.000 0.861 124 E CB 0.089 29.797 29.700 0.014 0.000 0.788 124 E HN 0.421 nan 8.360 nan 0.000 0.521 125 I N 0.707 121.137 120.570 -0.234 0.000 2.716 125 I HA -0.081 4.082 4.170 -0.012 0.000 0.259 125 I C 1.323 177.121 176.117 -0.532 0.000 1.172 125 I CA 0.124 61.226 61.300 -0.329 0.000 1.478 125 I CB 0.179 38.000 38.000 -0.298 0.000 1.104 125 I HN -0.041 nan 8.210 nan 0.000 0.439 126 E N 2.545 122.289 120.200 -0.760 0.000 2.415 126 E HA -0.071 4.273 4.350 -0.012 0.000 0.263 126 E C -0.000 176.487 176.600 -0.188 0.000 0.995 126 E CA -0.126 55.883 56.400 -0.652 0.000 0.915 126 E CB 0.589 30.005 29.700 -0.473 0.000 0.951 126 E HN 0.095 nan 8.360 nan 0.000 0.449 127 E N 3.197 123.382 120.200 -0.025 0.000 2.354 127 E HA 0.062 4.405 4.350 -0.012 0.000 0.269 127 E C -1.066 175.636 176.600 0.170 0.000 1.036 127 E CA -0.320 56.152 56.400 0.120 0.000 0.876 127 E CB 0.797 30.648 29.700 0.252 0.000 1.009 127 E HN 0.395 nan 8.360 nan 0.000 0.416 128 D N 1.623 122.098 120.400 0.126 0.000 2.399 128 D HA 0.265 4.898 4.640 -0.012 0.000 0.241 128 D C -0.855 175.478 176.300 0.054 0.000 1.133 128 D CA 0.315 54.360 54.000 0.075 0.000 0.890 128 D CB 0.906 41.730 40.800 0.040 0.000 1.201 128 D HN 0.439 nan 8.370 nan 0.000 0.432 129 A N 2.142 124.937 122.820 -0.041 0.000 2.910 129 A HA 0.472 4.785 4.320 -0.012 0.000 0.316 129 A C 0.909 178.330 177.584 -0.273 0.000 1.493 129 A CA -0.499 51.325 52.037 -0.355 0.000 1.150 129 A CB -0.238 18.642 19.000 -0.200 0.000 1.159 129 A HN 0.529 nan 8.150 nan 0.000 0.526 130 G N 1.519 110.126 108.800 -0.323 0.000 3.455 130 G HA2 0.379 4.332 3.960 -0.012 0.000 0.250 130 G HA3 0.379 4.332 3.960 -0.012 0.000 0.250 130 G C 0.339 175.036 174.900 -0.339 0.000 1.071 130 G CA -0.251 44.748 45.100 -0.169 0.000 1.812 130 G HN 0.680 nan 8.290 nan 0.000 0.643 131 L N 1.362 122.430 121.223 -0.258 0.000 2.939 131 L HA 0.389 4.722 4.340 -0.012 0.000 0.239 131 L C 1.011 177.812 176.870 -0.114 0.000 1.325 131 L CA -0.261 54.524 54.840 -0.091 0.000 1.170 131 L CB -0.412 41.728 42.059 0.134 0.000 1.538 131 L HN 0.287 nan 8.230 nan 0.000 0.452 132 G N -1.194 107.309 108.800 -0.495 0.000 2.677 132 G HA2 0.223 4.176 3.960 -0.012 0.000 0.291 132 G HA3 0.223 4.176 3.960 -0.012 0.000 0.291 132 G C -0.229 174.139 174.900 -0.887 0.000 1.435 132 G CA -0.454 44.277 45.100 -0.615 0.000 0.826 132 G HN -0.048 nan 8.290 nan 0.000 0.491 133 N N -0.767 117.668 118.700 -0.442 0.000 2.428 133 N HA 0.209 4.942 4.740 -0.012 0.000 0.181 133 N C 1.168 176.661 175.510 -0.028 0.000 1.028 133 N CA 1.233 54.142 53.050 -0.235 0.000 0.877 133 N CB 1.205 39.672 38.487 -0.034 0.000 1.064 133 N HN 0.755 nan 8.380 nan 0.000 0.434 134 G N -0.670 108.197 108.800 0.113 0.000 3.078 134 G HA2 0.251 4.204 3.960 -0.012 0.000 0.131 134 G HA3 0.251 4.204 3.960 -0.012 0.000 0.131 134 G C 0.758 175.791 174.900 0.222 0.000 1.219 134 G CA 0.313 45.575 45.100 0.269 0.000 1.319 134 G HN 0.187 nan 8.290 nan 0.000 0.653 135 G N 0.471 109.347 108.800 0.127 0.000 2.529 135 G HA2 -0.177 3.776 3.960 -0.012 0.000 0.219 135 G HA3 -0.177 3.776 3.960 -0.012 0.000 0.219 135 G C 1.878 176.783 174.900 0.008 0.000 1.177 135 G CA 1.554 46.690 45.100 0.059 0.000 0.773 135 G HN 0.757 nan 8.290 nan 0.000 0.573 136 L N 0.583 121.780 121.223 -0.042 0.000 2.017 136 L HA 0.085 4.418 4.340 -0.012 0.000 0.208 136 L C 2.855 179.668 176.870 -0.095 0.000 1.073 136 L CA 2.033 56.761 54.840 -0.188 0.000 0.745 136 L CB -0.609 41.285 42.059 -0.275 0.000 0.894 136 L HN 0.249 nan 8.230 nan 0.000 0.432 137 G N -0.737 108.065 108.800 0.004 0.000 2.408 137 G HA2 -0.245 3.708 3.960 -0.012 0.000 0.217 137 G HA3 -0.245 3.708 3.960 -0.012 0.000 0.217 137 G C 1.695 176.680 174.900 0.142 0.000 1.150 137 G CA 0.254 45.381 45.100 0.046 0.000 0.776 137 G HN 0.182 nan 8.290 nan 0.000 0.542 138 R N -0.015 120.603 120.500 0.197 0.000 2.115 138 R HA 0.113 4.446 4.340 -0.012 0.000 0.226 138 R C 2.461 178.784 176.300 0.038 0.000 1.100 138 R CA 0.632 56.819 56.100 0.145 0.000 0.980 138 R CB -0.860 29.485 30.300 0.074 0.000 0.875 138 R HN 0.416 nan 8.270 nan 0.000 0.445 139 L N 0.608 121.787 121.223 -0.073 0.000 2.017 139 L HA -0.083 4.250 4.340 -0.012 0.000 0.208 139 L C 2.211 178.837 176.870 -0.406 0.000 1.073 139 L CA 2.173 56.836 54.840 -0.295 0.000 0.745 139 L CB -0.712 41.128 42.059 -0.365 0.000 0.894 139 L HN 0.166 nan 8.230 nan 0.000 0.432 140 A N -0.577 122.121 122.820 -0.203 0.000 1.940 140 A HA -0.185 4.128 4.320 -0.012 0.000 0.219 140 A C 2.429 180.083 177.584 0.116 0.000 1.176 140 A CA 1.970 53.958 52.037 -0.082 0.000 0.631 140 A CB -1.157 17.792 19.000 -0.085 0.000 0.814 140 A HN 0.584 nan 8.150 nan 0.000 0.446 141 A N -1.240 121.681 122.820 0.169 0.000 1.898 141 A HA -0.133 4.180 4.320 -0.012 0.000 0.216 141 A C 2.310 179.975 177.584 0.134 0.000 1.181 141 A CA 1.591 53.745 52.037 0.196 0.000 0.620 141 A CB -1.213 17.892 19.000 0.175 0.000 0.819 141 A HN 0.590 nan 8.150 nan 0.000 0.442 142 C N -1.551 117.831 119.300 0.136 0.000 2.440 142 C HA -0.038 4.415 4.460 -0.012 0.000 0.278 142 C C 2.420 177.577 174.990 0.278 0.000 1.295 142 C CA 0.562 59.697 59.018 0.194 0.000 1.738 142 C CB -1.574 26.306 27.740 0.234 0.000 1.987 142 C HN 0.605 nan 8.230 nan 0.000 0.492 143 F N 0.511 120.447 119.950 -0.023 0.000 2.134 143 F HA -0.079 4.441 4.527 -0.012 0.000 0.299 143 F C 2.117 177.858 175.800 -0.098 0.000 1.097 143 F CA 1.057 58.992 58.000 -0.108 0.000 1.264 143 F CB -1.355 37.447 39.000 -0.329 0.000 1.001 143 F HN 0.087 nan 8.300 nan 0.000 0.479 144 L N 0.399 121.698 121.223 0.127 0.000 2.012 144 L HA -0.248 4.085 4.340 -0.012 0.000 0.210 144 L C 2.438 179.319 176.870 0.019 0.000 1.073 144 L CA 1.997 56.866 54.840 0.049 0.000 0.748 144 L CB -1.243 40.850 42.059 0.057 0.000 0.891 144 L HN 0.189 nan 8.230 nan 0.000 0.431 145 D N -1.338 119.081 120.400 0.032 0.000 2.123 145 D HA -0.174 4.459 4.640 -0.012 0.000 0.196 145 D C 1.911 178.223 176.300 0.021 0.000 0.992 145 D CA 1.601 55.605 54.000 0.006 0.000 0.833 145 D CB 0.402 41.202 40.800 0.000 0.000 0.954 145 D HN 0.318 nan 8.370 nan 0.000 0.455 146 S N -0.197 115.532 115.700 0.047 0.000 2.387 146 S HA -0.047 4.416 4.470 -0.012 0.000 0.226 146 S C 2.124 176.732 174.600 0.014 0.000 1.026 146 S CA 0.667 58.886 58.200 0.033 0.000 0.972 146 S CB -0.098 63.126 63.200 0.040 0.000 0.814 146 S HN 0.335 nan 8.310 nan 0.000 0.477 147 M N 0.949 120.550 119.600 0.002 0.000 2.159 147 M HA -0.102 4.371 4.480 -0.012 0.000 0.263 147 M C 2.382 178.679 176.300 -0.004 0.000 1.063 147 M CA 1.372 56.671 55.300 -0.001 0.000 1.110 147 M CB -0.447 32.137 32.600 -0.027 0.000 1.374 147 M HN 0.400 nan 8.290 nan 0.000 0.411 148 A N -0.408 122.407 122.820 -0.008 0.000 1.897 148 A HA -0.106 4.207 4.320 -0.012 0.000 0.215 148 A C 2.147 179.741 177.584 0.016 0.000 1.181 148 A CA 1.909 53.944 52.037 -0.003 0.000 0.620 148 A CB -1.022 17.961 19.000 -0.029 0.000 0.821 148 A HN 0.395 nan 8.150 nan 0.000 0.443 149 T N 0.283 114.852 114.554 0.025 0.000 2.881 149 T HA 0.005 4.348 4.350 -0.012 0.000 0.270 149 T C 1.280 176.006 174.700 0.043 0.000 1.068 149 T CA 1.031 63.160 62.100 0.049 0.000 1.131 149 T CB -0.257 68.649 68.868 0.063 0.000 0.871 149 T HN 0.319 nan 8.240 nan 0.000 0.479 150 L N 0.506 121.749 121.223 0.034 0.000 2.653 150 L HA 0.296 4.629 4.340 -0.012 0.000 0.231 150 L C 1.554 178.448 176.870 0.040 0.000 1.153 150 L CA -0.164 54.697 54.840 0.036 0.000 0.933 150 L CB -0.421 41.659 42.059 0.035 0.000 1.175 150 L HN 0.372 nan 8.230 nan 0.000 0.473 151 G N 1.400 110.225 108.800 0.042 0.000 2.341 151 G HA2 -0.291 3.662 3.960 -0.012 0.000 0.292 151 G HA3 -0.291 3.662 3.960 -0.012 0.000 0.292 151 G C 0.081 175.010 174.900 0.049 0.000 1.021 151 G CA 0.183 45.321 45.100 0.062 0.000 0.905 151 G HN 0.302 nan 8.290 nan 0.000 0.508 152 L N -0.409 120.816 121.223 0.002 0.000 2.357 152 L HA 0.624 4.957 4.340 -0.012 0.000 0.273 152 L C 1.185 177.911 176.870 -0.239 0.000 1.080 152 L CA -0.436 54.358 54.840 -0.076 0.000 0.803 152 L CB 1.619 43.655 42.059 -0.039 0.000 1.174 152 L HN 0.249 nan 8.230 nan 0.000 0.443 153 A N 2.767 125.307 122.820 -0.466 0.000 3.037 153 A HA 0.578 4.891 4.320 -0.012 0.000 0.272 153 A C 0.265 177.488 177.584 -0.601 0.000 1.723 153 A CA -0.173 51.301 52.037 -0.939 0.000 1.413 153 A CB -0.697 17.668 19.000 -1.058 0.000 1.112 153 A HN 0.682 nan 8.150 nan 0.000 0.606 154 A N 1.316 123.839 122.820 -0.496 0.000 2.340 154 A HA 0.801 5.114 4.320 -0.012 0.000 0.331 154 A C -1.106 176.222 177.584 -0.428 0.000 1.140 154 A CA -0.449 51.362 52.037 -0.375 0.000 0.801 154 A CB 0.742 19.597 19.000 -0.242 0.000 1.234 154 A HN 0.580 nan 8.150 nan 0.000 0.469 155 Y N 0.192 120.449 120.300 -0.071 0.000 2.361 155 Y HA 0.544 5.088 4.550 -0.011 0.000 0.337 155 Y C 0.811 176.821 175.900 0.183 0.000 0.965 155 Y CA -0.698 57.440 58.100 0.063 0.000 1.091 155 Y CB 2.139 40.742 38.460 0.237 0.000 1.182 155 Y HN 0.823 nan 8.280 nan 0.000 0.450 156 G N 2.155 111.048 108.800 0.155 0.000 2.338 156 G HA2 0.435 4.388 3.960 -0.012 0.000 0.298 156 G HA3 0.435 4.388 3.960 -0.012 0.000 0.298 156 G C -1.728 173.194 174.900 0.036 0.000 1.140 156 G CA -0.250 44.964 45.100 0.189 0.000 0.860 156 G HN 0.519 nan 8.290 nan 0.000 0.470 157 Y N 1.115 121.664 120.300 0.415 0.000 2.338 157 Y HA 0.618 5.161 4.550 -0.012 0.000 0.333 157 Y C 0.726 176.968 175.900 0.570 0.000 0.968 157 Y CA 0.155 58.475 58.100 0.367 0.000 1.123 157 Y CB 2.611 41.302 38.460 0.384 0.000 1.165 157 Y HN 0.881 nan 8.280 nan 0.000 0.452 158 G N 2.421 111.580 108.800 0.598 0.000 2.753 158 G HA2 0.585 4.538 3.960 -0.012 0.000 0.303 158 G HA3 0.585 4.538 3.960 -0.012 0.000 0.303 158 G C -1.727 173.437 174.900 0.439 0.000 1.242 158 G CA -0.814 44.663 45.100 0.629 0.000 0.810 158 G HN 0.410 nan 8.290 nan 0.000 0.515 159 I N 0.648 121.363 120.570 0.243 0.000 2.441 159 I HA 0.429 4.593 4.170 -0.012 0.000 0.295 159 I C 0.185 176.194 176.117 -0.179 0.000 0.994 159 I CA -0.727 60.584 61.300 0.018 0.000 1.144 159 I CB 2.184 39.982 38.000 -0.337 0.000 1.314 159 I HN 0.362 nan 8.210 nan 0.000 0.445 160 R N 6.339 126.840 120.500 0.001 0.000 2.593 160 R HA 0.250 4.583 4.340 -0.012 0.000 0.282 160 R C -1.346 175.012 176.300 0.097 0.000 1.300 160 R CA -0.449 55.693 56.100 0.070 0.000 1.221 160 R CB 0.001 30.316 30.300 0.025 0.000 1.157 160 R HN 0.403 nan 8.270 nan 0.000 0.555 161 Y N 1.999 122.462 120.300 0.272 0.000 2.442 161 Y HA -0.021 4.522 4.550 -0.012 0.000 0.330 161 Y C 1.467 177.550 175.900 0.304 0.000 1.129 161 Y CA -0.148 58.101 58.100 0.248 0.000 1.365 161 Y CB 0.970 39.559 38.460 0.216 0.000 1.233 161 Y HN 0.566 nan 8.280 nan 0.000 0.529 162 E N 1.189 121.555 120.200 0.276 0.000 2.427 162 E HA -0.008 4.336 4.350 -0.012 0.000 0.196 162 E C -0.811 175.666 176.600 -0.206 0.000 1.028 162 E CA 0.592 56.972 56.400 -0.034 0.000 0.864 162 E CB 0.046 29.541 29.700 -0.342 0.000 0.813 162 E HN 0.358 nan 8.360 nan 0.000 0.514 163 F N 1.143 121.338 119.950 0.408 0.000 2.499 163 F HA 0.476 4.996 4.527 -0.012 0.000 0.333 163 F C 0.843 176.744 175.800 0.168 0.000 1.138 163 F CA -0.958 57.226 58.000 0.306 0.000 0.945 163 F CB 1.959 41.065 39.000 0.178 0.000 1.181 163 F HN -0.085 nan 8.300 nan 0.000 0.435 164 G N 1.888 110.813 108.800 0.208 0.000 2.504 164 G HA2 0.343 4.297 3.960 -0.012 0.000 0.257 164 G HA3 0.343 4.297 3.960 -0.012 0.000 0.257 164 G C -0.425 174.444 174.900 -0.053 0.000 1.451 164 G CA -0.652 44.410 45.100 -0.063 0.000 1.059 164 G HN 0.548 nan 8.290 nan 0.000 0.550 165 I N 0.785 121.247 120.570 -0.180 0.000 2.710 165 I HA 0.238 4.401 4.170 -0.012 0.000 0.286 165 I C 0.551 176.585 176.117 -0.138 0.000 1.181 165 I CA -1.165 60.005 61.300 -0.217 0.000 1.430 165 I CB -0.213 37.558 38.000 -0.382 0.000 1.367 165 I HN 0.350 nan 8.210 nan 0.000 0.577 166 F N 6.243 126.203 119.950 0.015 0.000 2.589 166 F HA 0.246 4.767 4.527 -0.011 0.000 0.352 166 F C 0.437 176.286 175.800 0.081 0.000 1.168 166 F CA -0.484 57.546 58.000 0.051 0.000 1.353 166 F CB -0.277 38.739 39.000 0.027 0.000 1.116 166 F HN 0.438 nan 8.300 nan 0.000 0.608 167 N N 2.278 121.165 118.700 0.311 0.000 2.488 167 N HA 0.064 4.797 4.740 -0.012 0.000 0.274 167 N C -0.902 174.844 175.510 0.392 0.000 1.111 167 N CA -0.312 52.884 53.050 0.244 0.000 0.974 167 N CB 1.262 39.881 38.487 0.220 0.000 1.089 167 N HN 0.766 nan 8.380 nan 0.000 0.465 168 Q N 2.524 122.522 119.800 0.330 0.000 2.278 168 Q HA 0.214 4.547 4.340 -0.012 0.000 0.257 168 Q C -0.999 175.172 176.000 0.284 0.000 0.928 168 Q CA -0.355 55.683 55.803 0.392 0.000 0.932 168 Q CB 0.824 29.801 28.738 0.397 0.000 1.221 168 Q HN 0.277 nan 8.270 nan 0.000 0.434 169 K N 4.283 124.826 120.400 0.239 0.000 2.259 169 K HA 0.457 4.770 4.320 -0.012 0.000 0.252 169 K C -0.821 175.877 176.600 0.163 0.000 0.936 169 K CA -0.961 55.441 56.287 0.193 0.000 0.810 169 K CB 1.573 34.166 32.500 0.155 0.000 1.143 169 K HN 0.621 nan 8.250 nan 0.000 0.427 170 I N 2.749 123.409 120.570 0.150 0.000 2.330 170 I HA 0.209 4.372 4.170 -0.012 0.000 0.289 170 I C -0.201 175.973 176.117 0.096 0.000 1.001 170 I CA -0.728 60.630 61.300 0.096 0.000 1.193 170 I CB 0.579 38.616 38.000 0.062 0.000 1.345 170 I HN 0.466 nan 8.210 nan 0.000 0.461 171 C N 4.031 123.399 119.300 0.112 0.000 2.319 171 C HA 0.590 5.043 4.460 -0.012 0.000 0.323 171 C C 1.217 176.303 174.990 0.160 0.000 1.277 171 C CA -0.444 58.646 59.018 0.120 0.000 1.517 171 C CB 0.529 28.337 27.740 0.113 0.000 2.206 171 C HN 1.088 nan 8.230 nan 0.000 0.486 172 G N 2.523 111.390 108.800 0.111 0.000 2.283 172 G HA2 0.095 4.048 3.960 -0.012 0.000 0.280 172 G HA3 0.095 4.048 3.960 -0.012 0.000 0.280 172 G C 1.124 176.030 174.900 0.011 0.000 1.029 172 G CA 1.049 46.216 45.100 0.112 0.000 0.840 172 G HN 2.369 nan 8.290 nan 0.000 0.505 173 G N -2.940 105.820 108.800 -0.068 0.000 2.205 173 G HA2 -0.301 3.652 3.960 -0.012 0.000 0.261 173 G HA3 -0.301 3.652 3.960 -0.012 0.000 0.261 173 G C 0.410 175.077 174.900 -0.388 0.000 0.980 173 G CA 0.648 45.589 45.100 -0.266 0.000 0.632 173 G HN 1.152 nan 8.290 nan 0.000 0.533 174 W N 0.947 122.195 121.300 -0.087 0.000 2.448 174 W HA 0.658 5.311 4.660 -0.011 0.000 0.339 174 W C 0.667 177.133 176.519 -0.088 0.000 1.124 174 W CA -0.761 56.526 57.345 -0.097 0.000 1.262 174 W CB 0.777 30.196 29.460 -0.068 0.000 1.251 174 W HN 0.266 nan 8.180 nan 0.000 0.597 175 Q N 2.880 122.782 119.800 0.170 0.000 2.286 175 Q HA 0.312 4.645 4.340 -0.012 0.000 0.257 175 Q C -0.686 175.372 176.000 0.097 0.000 0.941 175 Q CA -0.086 55.781 55.803 0.107 0.000 0.912 175 Q CB 0.669 29.463 28.738 0.093 0.000 1.192 175 Q HN 0.313 nan 8.270 nan 0.000 0.410 176 M N 3.159 122.813 119.600 0.089 0.000 2.311 176 M HA 0.383 4.856 4.480 -0.012 0.000 0.325 176 M C -1.136 175.179 176.300 0.024 0.000 1.061 176 M CA -0.610 54.712 55.300 0.037 0.000 0.957 176 M CB 1.708 34.343 32.600 0.057 0.000 1.646 176 M HN 0.652 nan 8.290 nan 0.000 0.434 177 E N 1.867 122.009 120.200 -0.095 0.000 2.204 177 E HA 0.497 4.840 4.350 -0.012 0.000 0.276 177 E C -0.614 175.973 176.600 -0.023 0.000 0.974 177 E CA -0.536 55.771 56.400 -0.156 0.000 0.815 177 E CB 1.693 31.038 29.700 -0.592 0.000 1.119 177 E HN 0.533 nan 8.360 nan 0.000 0.393 178 E N 1.330 121.593 120.200 0.105 0.000 2.304 178 E HA 0.593 4.936 4.350 -0.012 0.000 0.277 178 E C -1.231 175.452 176.600 0.140 0.000 0.898 178 E CA -1.279 55.176 56.400 0.091 0.000 0.764 178 E CB 1.308 31.070 29.700 0.103 0.000 1.216 178 E HN 0.531 nan 8.360 nan 0.000 0.419 179 A N 3.221 126.077 122.820 0.059 0.000 2.598 179 A HA -0.029 4.284 4.320 -0.012 0.000 0.239 179 A C 0.076 177.805 177.584 0.242 0.000 1.032 179 A CA 0.830 52.901 52.037 0.056 0.000 0.760 179 A CB -0.123 18.767 19.000 -0.184 0.000 0.946 179 A HN 0.696 nan 8.150 nan 0.000 0.512 180 D N 1.869 122.488 120.400 0.365 0.000 2.494 180 D HA 0.185 4.818 4.640 -0.012 0.000 0.217 180 D C -0.424 176.234 176.300 0.596 0.000 1.153 180 D CA -0.214 54.027 54.000 0.403 0.000 0.954 180 D CB 0.368 41.343 40.800 0.292 0.000 1.034 180 D HN 0.373 nan 8.370 nan 0.000 0.518 181 D N 4.029 124.744 120.400 0.524 0.000 2.688 181 D HA -0.028 4.605 4.640 -0.012 0.000 0.228 181 D C 1.131 177.617 176.300 0.310 0.000 1.116 181 D CA -0.534 53.718 54.000 0.420 0.000 1.023 181 D CB -0.161 40.868 40.800 0.382 0.000 1.100 181 D HN 0.591 nan 8.370 nan 0.000 0.487 182 W N 1.974 123.343 121.300 0.116 0.000 2.525 182 W HA -0.063 4.591 4.660 -0.012 0.000 0.259 182 W C 0.222 176.815 176.519 0.123 0.000 1.253 182 W CA 0.100 57.521 57.345 0.127 0.000 1.262 182 W CB -0.765 28.765 29.460 0.117 0.000 1.122 182 W HN 0.187 nan 8.180 nan 0.000 0.607 183 L N 0.808 121.713 121.223 -0.531 0.000 2.585 183 L HA 0.164 4.497 4.340 -0.012 0.000 0.226 183 L C 2.780 179.523 176.870 -0.211 0.000 1.113 183 L CA 0.030 54.528 54.840 -0.571 0.000 0.876 183 L CB -0.653 40.939 42.059 -0.778 0.000 1.072 183 L HN -0.123 nan 8.230 nan 0.000 0.468 184 R N 0.709 121.158 120.500 -0.085 0.000 2.159 184 R HA -0.269 4.064 4.340 -0.012 0.000 0.249 184 R C 1.467 177.650 176.300 -0.195 0.000 1.136 184 R CA 2.342 58.382 56.100 -0.100 0.000 0.951 184 R CB -0.300 29.995 30.300 -0.009 0.000 0.876 184 R HN 0.313 nan 8.270 nan 0.000 0.440 185 Y N -0.774 119.544 120.300 0.030 0.000 2.457 185 Y HA 0.332 4.875 4.550 -0.011 0.000 0.263 185 Y C 0.833 176.731 175.900 -0.004 0.000 1.164 185 Y CA 0.537 58.664 58.100 0.045 0.000 1.274 185 Y CB 1.087 39.677 38.460 0.216 0.000 1.097 185 Y HN 0.479 nan 8.280 nan 0.000 0.523 186 G N 1.158 110.013 108.800 0.092 0.000 2.629 186 G HA2 -0.185 3.768 3.960 -0.012 0.000 0.686 186 G HA3 -0.185 3.768 3.960 -0.012 0.000 0.686 186 G C -1.397 173.575 174.900 0.120 0.000 1.232 186 G CA -0.921 44.196 45.100 0.028 0.000 0.803 186 G HN 0.176 nan 8.290 nan 0.000 0.638 187 N N 1.320 120.035 118.700 0.025 0.000 2.569 187 N HA 0.542 5.275 4.740 -0.012 0.000 0.254 187 N C -0.715 174.790 175.510 -0.009 0.000 1.004 187 N CA -1.974 51.105 53.050 0.049 0.000 0.904 187 N CB 2.029 40.490 38.487 -0.045 0.000 1.165 187 N HN 0.247 nan 8.380 nan 0.000 0.513 188 P HA -0.006 nan 4.420 nan 0.000 0.226 188 P C 0.677 177.658 177.300 -0.531 0.000 1.153 188 P CA 0.783 63.569 63.100 -0.523 0.000 0.777 188 P CB 0.134 31.232 31.700 -1.004 0.000 0.794 189 W N 1.850 123.162 121.300 0.019 0.000 2.494 189 W HA 0.043 4.696 4.660 -0.011 0.000 0.286 189 W C 1.446 178.010 176.519 0.074 0.000 1.218 189 W CA -0.298 57.056 57.345 0.015 0.000 1.313 189 W CB -0.417 29.051 29.460 0.013 0.000 1.105 189 W HN -0.025 nan 8.180 nan 0.000 0.561 190 E N 1.993 122.377 120.200 0.305 0.000 2.374 190 E HA 0.215 4.558 4.350 -0.012 0.000 0.260 190 E C -0.589 176.192 176.600 0.301 0.000 1.101 190 E CA -0.428 56.160 56.400 0.314 0.000 0.907 190 E CB 1.133 31.023 29.700 0.317 0.000 1.014 190 E HN -0.301 nan 8.360 nan 0.000 0.427 191 K N 1.331 121.928 120.400 0.327 0.000 2.604 191 K HA 0.399 4.712 4.320 -0.012 0.000 0.247 191 K C -1.279 175.368 176.600 0.079 0.000 0.956 191 K CA -0.406 56.008 56.287 0.211 0.000 0.896 191 K CB 1.482 34.115 32.500 0.222 0.000 1.131 191 K HN 0.652 nan 8.250 nan 0.000 0.440 192 A N 4.167 126.953 122.820 -0.057 0.000 2.511 192 A HA 0.351 4.664 4.320 -0.012 0.000 0.242 192 A C -0.244 177.163 177.584 -0.295 0.000 1.069 192 A CA -0.097 51.642 52.037 -0.497 0.000 0.763 192 A CB 0.215 18.922 19.000 -0.488 0.000 1.001 192 A HN 0.658 nan 8.150 nan 0.000 0.498 193 R N 3.425 123.739 120.500 -0.309 0.000 2.835 193 R HA 0.200 4.533 4.340 -0.012 0.000 0.290 193 R C -2.333 173.862 176.300 -0.176 0.000 1.410 193 R CA -1.654 54.361 56.100 -0.141 0.000 1.590 193 R CB 0.716 31.110 30.300 0.155 0.000 1.288 193 R HN 0.571 nan 8.270 nan 0.000 0.637 194 P HA -0.191 nan 4.420 nan 0.000 0.221 194 P C 0.877 178.076 177.300 -0.168 0.000 1.145 194 P CA 1.164 64.177 63.100 -0.144 0.000 0.795 194 P CB 0.354 31.979 31.700 -0.124 0.000 0.775 195 E N -0.426 119.561 120.200 -0.355 0.000 2.418 195 E HA -0.114 4.229 4.350 -0.012 0.000 0.197 195 E C 0.414 176.723 176.600 -0.485 0.000 1.026 195 E CA 0.727 56.841 56.400 -0.477 0.000 0.862 195 E CB -0.703 28.583 29.700 -0.690 0.000 0.799 195 E HN 0.286 nan 8.360 nan 0.000 0.518 196 F N 1.569 121.534 119.950 0.025 0.000 2.772 196 F HA 0.285 4.805 4.527 -0.012 0.000 0.302 196 F C 0.436 176.329 175.800 0.156 0.000 1.136 196 F CA -0.690 57.356 58.000 0.077 0.000 1.322 196 F CB 0.215 39.256 39.000 0.068 0.000 0.967 196 F HN -0.300 nan 8.300 nan 0.000 0.513 197 T N 2.919 117.608 114.554 0.225 0.000 2.940 197 T HA 0.279 4.622 4.350 -0.012 0.000 0.309 197 T C -0.180 174.635 174.700 0.192 0.000 1.056 197 T CA 0.439 62.678 62.100 0.231 0.000 1.137 197 T CB 0.617 69.569 68.868 0.139 0.000 0.976 197 T HN -0.142 nan 8.240 nan 0.000 0.547 198 L N 5.331 126.646 121.223 0.152 0.000 2.354 198 L HA 0.619 4.952 4.340 -0.012 0.000 0.264 198 L C -2.246 174.600 176.870 -0.041 0.000 1.008 198 L CA -2.592 52.262 54.840 0.023 0.000 0.819 198 L CB 1.955 43.957 42.059 -0.094 0.000 1.339 198 L HN 0.390 nan 8.230 nan 0.000 0.420 199 P HA 0.452 nan 4.420 nan 0.000 0.292 199 P C -1.274 175.908 177.300 -0.195 0.000 1.283 199 P CA -0.475 62.556 63.100 -0.115 0.000 0.835 199 P CB 2.069 33.700 31.700 -0.115 0.000 1.017 200 V N 3.472 123.251 119.914 -0.225 0.000 2.735 200 V HA 0.367 4.480 4.120 -0.012 0.000 0.310 200 V C 0.065 175.936 176.094 -0.372 0.000 1.061 200 V CA -0.612 61.540 62.300 -0.247 0.000 0.913 200 V CB 1.743 33.462 31.823 -0.173 0.000 1.005 200 V HN 0.618 nan 8.190 nan 0.000 0.428 201 H N 3.268 122.149 119.070 -0.316 0.000 2.533 201 H HA 0.661 5.210 4.556 -0.012 0.000 0.343 201 H C -1.426 173.517 175.328 -0.642 0.000 1.160 201 H CA -0.243 55.527 56.048 -0.462 0.000 1.218 201 H CB 2.137 31.401 29.762 -0.829 0.000 1.566 201 H HN 0.457 nan 8.280 nan 0.000 0.522 202 F N -0.330 119.624 119.950 0.006 0.000 2.626 202 F HA 0.206 4.726 4.527 -0.012 0.000 0.311 202 F C -0.258 175.596 175.800 0.091 0.000 1.088 202 F CA -0.579 57.422 58.000 0.002 0.000 0.949 202 F CB 0.852 39.772 39.000 -0.134 0.000 1.322 202 F HN 0.580 nan 8.300 nan 0.000 0.461 203 Y N 0.182 120.739 120.300 0.428 0.000 2.887 203 Y HA -0.015 4.528 4.550 -0.011 0.000 0.467 203 Y C 1.451 177.569 175.900 0.363 0.000 1.191 203 Y CA 0.807 59.086 58.100 0.297 0.000 2.539 203 Y CB -1.916 36.643 38.460 0.166 0.000 1.225 203 Y HN 1.345 nan 8.280 nan 0.000 0.630 204 G N 0.732 109.771 108.800 0.398 0.000 2.593 204 G HA2 0.088 4.042 3.960 -0.012 0.000 0.237 204 G HA3 0.088 4.042 3.960 -0.012 0.000 0.237 204 G C -0.466 174.627 174.900 0.321 0.000 1.312 204 G CA 1.134 46.392 45.100 0.264 0.000 0.896 204 G HN 1.393 nan 8.290 nan 0.000 0.574 205 R N -2.668 118.025 120.500 0.320 0.000 2.747 205 R HA 0.696 5.029 4.340 -0.012 0.000 0.272 205 R C -1.663 174.765 176.300 0.214 0.000 1.032 205 R CA -0.861 55.372 56.100 0.222 0.000 0.896 205 R CB 1.207 31.585 30.300 0.130 0.000 1.253 205 R HN 0.988 nan 8.270 nan 0.000 0.461 206 V N 1.071 121.025 119.914 0.068 0.000 2.384 206 V HA 0.357 4.470 4.120 -0.012 0.000 0.287 206 V C -0.369 175.644 176.094 -0.135 0.000 1.020 206 V CA -0.594 61.673 62.300 -0.056 0.000 0.850 206 V CB 1.405 33.120 31.823 -0.180 0.000 0.987 206 V HN 0.672 nan 8.190 nan 0.000 0.436 207 E N 3.400 123.514 120.200 -0.143 0.000 2.156 207 E HA 0.387 4.730 4.350 -0.012 0.000 0.279 207 E C -0.924 175.545 176.600 -0.219 0.000 0.965 207 E CA -0.663 55.672 56.400 -0.109 0.000 0.789 207 E CB 0.925 30.611 29.700 -0.023 0.000 1.098 207 E HN 0.641 nan 8.360 nan 0.000 0.397 208 H N 2.541 121.626 119.070 0.025 0.000 2.685 208 H HA 0.178 4.727 4.556 -0.012 0.000 0.286 208 H C -0.319 175.019 175.328 0.016 0.000 1.102 208 H CA -0.221 55.836 56.048 0.016 0.000 1.254 208 H CB 0.705 30.472 29.762 0.008 0.000 1.397 208 H HN 0.429 nan 8.280 nan 0.000 0.473 209 T N 0.059 114.669 114.554 0.094 0.000 2.824 209 T HA 0.296 4.639 4.350 -0.012 0.000 0.282 209 T C 1.130 175.864 174.700 0.056 0.000 0.993 209 T CA -0.226 61.913 62.100 0.065 0.000 0.967 209 T CB 1.921 70.813 68.868 0.040 0.000 0.960 209 T HN 0.537 nan 8.240 nan 0.000 0.441 210 S N 2.740 118.468 115.700 0.047 0.000 2.746 210 S HA -0.378 4.085 4.470 -0.012 0.000 0.526 210 S C 0.924 175.547 174.600 0.038 0.000 0.959 210 S CA 1.901 60.123 58.200 0.037 0.000 3.281 210 S CB -1.403 61.814 63.200 0.029 0.000 2.286 210 S HN 0.858 nan 8.310 nan 0.000 0.525 211 Q N 2.963 122.784 119.800 0.036 0.000 2.923 211 Q HA 0.567 4.900 4.340 -0.012 0.000 0.363 211 Q C 0.240 176.263 176.000 0.040 0.000 1.159 211 Q CA 0.808 56.632 55.803 0.035 0.000 1.073 211 Q CB 0.424 29.179 28.738 0.028 0.000 1.364 211 Q HN 0.992 nan 8.270 nan 0.000 0.466 212 G N -0.388 108.445 108.800 0.056 0.000 2.406 212 G HA2 0.277 4.230 3.960 -0.012 0.000 0.680 212 G HA3 0.277 4.230 3.960 -0.012 0.000 0.680 212 G C -1.146 173.791 174.900 0.060 0.000 1.338 212 G CA -0.639 44.497 45.100 0.061 0.000 0.941 212 G HN 0.461 nan 8.290 nan 0.000 0.633 213 A N 0.347 123.194 122.820 0.045 0.000 2.286 213 A HA 0.847 5.160 4.320 -0.012 0.000 0.286 213 A C 0.338 177.881 177.584 -0.068 0.000 1.097 213 A CA -0.055 51.937 52.037 -0.075 0.000 0.821 213 A CB 0.925 19.851 19.000 -0.124 0.000 1.076 213 A HN 0.770 nan 8.150 nan 0.000 0.490 214 K N 0.613 120.956 120.400 -0.095 0.000 2.507 214 K HA 0.185 4.498 4.320 -0.012 0.000 0.251 214 K C -1.825 174.811 176.600 0.059 0.000 0.943 214 K CA -0.383 55.897 56.287 -0.012 0.000 0.794 214 K CB 1.830 34.326 32.500 -0.007 0.000 1.188 214 K HN 0.730 nan 8.250 nan 0.000 0.428 215 W N 5.068 126.285 121.300 -0.137 0.000 2.358 215 W HA 0.357 5.010 4.660 -0.012 0.000 0.307 215 W C -1.010 175.442 176.519 -0.112 0.000 1.203 215 W CA -0.555 56.712 57.345 -0.130 0.000 1.279 215 W CB 0.424 29.793 29.460 -0.151 0.000 1.264 215 W HN 0.193 nan 8.180 nan 0.000 0.474 216 V N 6.509 126.506 119.914 0.138 0.000 3.074 216 V HA 0.340 4.453 4.120 -0.012 0.000 0.314 216 V C -0.508 175.561 176.094 -0.043 0.000 1.117 216 V CA -0.613 61.677 62.300 -0.017 0.000 1.014 216 V CB 2.134 33.973 31.823 0.026 0.000 1.057 216 V HN 0.462 nan 8.190 nan 0.000 0.438 217 D N 1.371 121.736 120.400 -0.059 0.000 2.689 217 D HA -0.127 4.506 4.640 -0.012 0.000 0.237 217 D C 0.412 176.661 176.300 -0.086 0.000 1.148 217 D CA 1.372 55.338 54.000 -0.057 0.000 0.656 217 D CB -1.239 39.557 40.800 -0.006 0.000 1.050 217 D HN 0.854 nan 8.370 nan 0.000 0.426 218 T N -3.084 111.375 114.554 -0.158 0.000 2.902 218 T HA 0.400 4.743 4.350 -0.012 0.000 0.280 218 T C 0.274 174.934 174.700 -0.066 0.000 0.992 218 T CA -0.879 61.135 62.100 -0.144 0.000 1.015 218 T CB 2.556 71.186 68.868 -0.398 0.000 1.044 218 T HN 0.198 nan 8.240 nan 0.000 0.520 219 Q N 1.111 120.947 119.800 0.060 0.000 2.278 219 Q HA 0.504 4.837 4.340 -0.012 0.000 0.257 219 Q C -1.443 174.601 176.000 0.073 0.000 0.928 219 Q CA -0.808 55.035 55.803 0.067 0.000 0.932 219 Q CB 1.183 30.058 28.738 0.229 0.000 1.221 219 Q HN 0.615 nan 8.270 nan 0.000 0.434 220 V N 4.656 124.560 119.914 -0.016 0.000 2.439 220 V HA 0.409 4.522 4.120 -0.012 0.000 0.282 220 V C -0.277 175.851 176.094 0.057 0.000 1.039 220 V CA -0.537 61.707 62.300 -0.093 0.000 0.913 220 V CB 1.591 33.316 31.823 -0.165 0.000 0.983 220 V HN 0.630 nan 8.190 nan 0.000 0.460 221 V N 6.045 126.030 119.914 0.117 0.000 2.680 221 V HA 0.503 4.616 4.120 -0.012 0.000 0.309 221 V C -0.247 175.959 176.094 0.186 0.000 1.052 221 V CA -0.652 61.769 62.300 0.202 0.000 0.908 221 V CB 2.050 34.077 31.823 0.340 0.000 1.001 221 V HN 0.633 nan 8.190 nan 0.000 0.431 222 L N 3.413 124.751 121.223 0.191 0.000 2.325 222 L HA 0.791 5.124 4.340 -0.012 0.000 0.279 222 L C 0.337 177.406 176.870 0.331 0.000 1.054 222 L CA -0.494 54.457 54.840 0.185 0.000 0.804 222 L CB 1.516 43.661 42.059 0.143 0.000 1.200 222 L HN 0.737 nan 8.230 nan 0.000 0.436 223 A N 4.878 127.841 122.820 0.238 0.000 2.267 223 A HA 0.596 4.910 4.320 -0.012 0.000 0.315 223 A C -0.474 177.394 177.584 0.473 0.000 1.297 223 A CA -0.470 51.749 52.037 0.305 0.000 0.865 223 A CB 0.914 19.655 19.000 -0.432 0.000 1.165 223 A HN 0.801 nan 8.150 nan 0.000 0.513 224 M N 6.070 125.998 119.600 0.548 0.000 2.180 224 M HA 0.501 4.974 4.480 -0.012 0.000 0.350 224 M C -2.619 173.955 176.300 0.456 0.000 1.125 224 M CA -2.027 53.529 55.300 0.427 0.000 1.031 224 M CB 1.990 34.762 32.600 0.287 0.000 1.623 224 M HN 0.347 nan 8.290 nan 0.000 0.451 225 P HA 0.291 nan 4.420 nan 0.000 0.284 225 P C -1.957 175.286 177.300 -0.094 0.000 1.258 225 P CA -0.047 62.968 63.100 -0.141 0.000 0.824 225 P CB 0.621 32.024 31.700 -0.496 0.000 1.038 226 Y N 0.113 120.344 120.300 -0.114 0.000 2.346 226 Y HA 0.308 4.851 4.550 -0.012 0.000 0.332 226 Y C -0.123 175.768 175.900 -0.014 0.000 0.985 226 Y CA -0.364 57.735 58.100 -0.003 0.000 1.112 226 Y CB 1.591 40.079 38.460 0.047 0.000 1.170 226 Y HN 0.204 nan 8.280 nan 0.000 0.447 227 D N 2.169 122.692 120.400 0.205 0.000 2.193 227 D HA 0.388 5.021 4.640 -0.012 0.000 0.244 227 D C -0.593 175.949 176.300 0.404 0.000 1.064 227 D CA -0.259 53.904 54.000 0.270 0.000 0.845 227 D CB 1.859 42.855 40.800 0.328 0.000 1.148 227 D HN 0.348 nan 8.370 nan 0.000 0.464 228 T N 3.198 117.874 114.554 0.203 0.000 2.807 228 T HA 0.468 4.811 4.350 -0.012 0.000 0.279 228 T C -2.490 172.037 174.700 -0.288 0.000 0.993 228 T CA -1.505 60.614 62.100 0.032 0.000 0.970 228 T CB 1.965 70.848 68.868 0.025 0.000 0.950 228 T HN 0.170 nan 8.240 nan 0.000 0.441 229 P HA 0.307 nan 4.420 nan 0.000 0.275 229 P C -1.038 175.921 177.300 -0.568 0.000 1.227 229 P CA -0.387 62.020 63.100 -1.154 0.000 0.781 229 P CB 0.803 31.613 31.700 -1.483 0.000 0.906 230 V N 5.283 124.928 119.914 -0.449 0.000 2.305 230 V HA 0.271 4.384 4.120 -0.012 0.000 0.275 230 V C -2.097 173.859 176.094 -0.231 0.000 1.020 230 V CA -1.927 60.206 62.300 -0.277 0.000 0.811 230 V CB 1.394 33.104 31.823 -0.189 0.000 1.031 230 V HN 0.540 nan 8.190 nan 0.000 0.439 231 P HA 0.290 nan 4.420 nan 0.000 0.286 231 P C 0.358 177.603 177.300 -0.091 0.000 1.269 231 P CA 0.283 63.291 63.100 -0.154 0.000 0.787 231 P CB 1.692 33.296 31.700 -0.160 0.000 0.920 232 G N 2.449 111.214 108.800 -0.058 0.000 2.599 232 G HA2 0.145 4.098 3.960 -0.012 0.000 0.264 232 G HA3 0.145 4.098 3.960 -0.012 0.000 0.264 232 G C -1.171 173.739 174.900 0.016 0.000 1.200 232 G CA -0.435 44.660 45.100 -0.008 0.000 0.896 232 G HN 0.477 nan 8.290 nan 0.000 0.536 233 Y N 0.483 120.743 120.300 -0.066 0.000 2.531 233 Y HA 0.283 4.825 4.550 -0.012 0.000 0.347 233 Y C 1.295 177.157 175.900 -0.063 0.000 1.024 233 Y CA -0.346 57.711 58.100 -0.072 0.000 1.306 233 Y CB 0.181 38.596 38.460 -0.074 0.000 1.149 233 Y HN 0.699 nan 8.280 nan 0.000 0.527 234 R N 3.063 123.225 120.500 -0.563 0.000 3.484 234 R HA -0.316 4.017 4.340 -0.012 0.000 0.260 234 R C -0.050 176.105 176.300 -0.241 0.000 1.053 234 R CA 1.484 57.294 56.100 -0.484 0.000 0.703 234 R CB -1.772 28.067 30.300 -0.768 0.000 1.089 234 R HN 0.946 nan 8.270 nan 0.000 0.459 235 N N -1.680 116.934 118.700 -0.143 0.000 2.160 235 N HA 0.078 4.811 4.740 -0.012 0.000 0.226 235 N C -0.283 175.183 175.510 -0.074 0.000 1.256 235 N CA -0.424 52.576 53.050 -0.083 0.000 0.890 235 N CB 0.583 39.047 38.487 -0.039 0.000 1.116 235 N HN 0.084 nan 8.380 nan 0.000 0.517 236 N N -0.159 118.492 118.700 -0.081 0.000 2.782 236 N HA -0.128 4.606 4.740 -0.012 0.000 0.251 236 N C -1.126 174.346 175.510 -0.064 0.000 1.101 236 N CA 0.588 53.598 53.050 -0.067 0.000 0.764 236 N CB -1.285 37.164 38.487 -0.063 0.000 1.122 236 N HN 0.203 nan 8.380 nan 0.000 0.561 237 V N 1.128 121.008 119.914 -0.057 0.000 2.394 237 V HA 0.472 4.585 4.120 -0.012 0.000 0.282 237 V C 0.455 176.521 176.094 -0.048 0.000 1.031 237 V CA -0.584 61.689 62.300 -0.044 0.000 0.881 237 V CB 2.222 34.044 31.823 -0.001 0.000 0.982 237 V HN -0.045 nan 8.190 nan 0.000 0.451 238 V N 5.596 125.484 119.914 -0.044 0.000 2.357 238 V HA 0.434 4.548 4.120 -0.012 0.000 0.281 238 V C -0.014 176.059 176.094 -0.035 0.000 1.015 238 V CA -0.808 61.435 62.300 -0.094 0.000 0.827 238 V CB 1.344 33.094 31.823 -0.121 0.000 1.018 238 V HN 0.831 nan 8.190 nan 0.000 0.432 239 N N 2.041 120.702 118.700 -0.064 0.000 2.418 239 N HA 0.538 5.271 4.740 -0.012 0.000 0.283 239 N C 0.038 175.532 175.510 -0.025 0.000 1.267 239 N CA -0.244 52.797 53.050 -0.014 0.000 0.975 239 N CB 1.014 39.458 38.487 -0.071 0.000 1.167 239 N HN 0.562 nan 8.380 nan 0.000 0.581 240 T N 0.707 115.265 114.554 0.007 0.000 2.863 240 T HA 0.433 4.776 4.350 -0.012 0.000 0.285 240 T C -0.342 174.336 174.700 -0.037 0.000 1.009 240 T CA -0.517 61.648 62.100 0.109 0.000 0.989 240 T CB 1.178 70.239 68.868 0.321 0.000 1.004 240 T HN 0.308 nan 8.240 nan 0.000 0.455 241 M N 3.541 123.086 119.600 -0.092 0.000 2.072 241 M HA 0.496 4.969 4.480 -0.012 0.000 0.331 241 M C -0.575 175.584 176.300 -0.235 0.000 1.004 241 M CA -0.750 54.406 55.300 -0.239 0.000 0.952 241 M CB 0.728 33.139 32.600 -0.315 0.000 1.511 241 M HN 0.465 nan 8.290 nan 0.000 0.422 242 R N 4.628 124.879 120.500 -0.415 0.000 2.229 242 R HA 0.524 4.857 4.340 -0.012 0.000 0.332 242 R C -1.871 174.162 176.300 -0.445 0.000 0.989 242 R CA -0.552 55.259 56.100 -0.482 0.000 0.842 242 R CB 0.788 30.609 30.300 -0.798 0.000 1.119 242 R HN 0.625 nan 8.270 nan 0.000 0.456 243 L N 5.785 126.852 121.223 -0.260 0.000 2.305 243 L HA 0.438 4.771 4.340 -0.012 0.000 0.284 243 L C -0.969 175.878 176.870 -0.039 0.000 1.013 243 L CA -0.573 54.213 54.840 -0.090 0.000 0.819 243 L CB 1.046 43.129 42.059 0.039 0.000 1.227 243 L HN 0.618 nan 8.230 nan 0.000 0.417 244 W N 2.320 123.758 121.300 0.231 0.000 2.316 244 W HA 0.571 5.224 4.660 -0.011 0.000 0.321 244 W C 0.643 177.400 176.519 0.397 0.000 1.203 244 W CA -0.175 57.337 57.345 0.277 0.000 1.214 244 W CB 1.224 30.728 29.460 0.074 0.000 1.169 244 W HN 0.426 nan 8.180 nan 0.000 0.561 245 S N 1.509 117.637 115.700 0.714 0.000 2.500 245 S HA 0.763 5.226 4.470 -0.012 0.000 0.301 245 S C -0.494 174.457 174.600 0.585 0.000 1.092 245 S CA -0.735 57.783 58.200 0.530 0.000 1.030 245 S CB 0.668 64.145 63.200 0.462 0.000 1.031 245 S HN 0.520 nan 8.310 nan 0.000 0.483 246 A N 4.573 127.576 122.820 0.305 0.000 2.366 246 A HA 0.663 4.976 4.320 -0.012 0.000 0.272 246 A C -0.111 177.575 177.584 0.171 0.000 1.135 246 A CA -0.248 51.880 52.037 0.153 0.000 0.804 246 A CB 0.390 19.226 19.000 -0.272 0.000 1.064 246 A HN 0.651 nan 8.150 nan 0.000 0.499 247 K N 0.920 121.438 120.400 0.198 0.000 2.464 247 K HA 0.617 4.930 4.320 -0.012 0.000 0.253 247 K C -0.678 175.996 176.600 0.123 0.000 0.933 247 K CA -0.458 55.920 56.287 0.151 0.000 0.801 247 K CB 2.337 34.938 32.500 0.168 0.000 1.271 247 K HN 0.840 nan 8.250 nan 0.000 0.430 248 A N 3.958 126.833 122.820 0.092 0.000 2.327 248 A HA 0.521 4.834 4.320 -0.012 0.000 0.283 248 A C -2.199 175.435 177.584 0.083 0.000 1.127 248 A CA -1.202 50.884 52.037 0.082 0.000 0.810 248 A CB -0.077 18.961 19.000 0.063 0.000 1.066 248 A HN 0.344 nan 8.150 nan 0.000 0.492 249 P HA 0.097 nan 4.420 nan 0.000 0.274 249 P C -0.011 177.335 177.300 0.076 0.000 1.231 249 P CA -0.389 62.761 63.100 0.083 0.000 0.790 249 P CB 0.675 32.434 31.700 0.098 0.000 0.951 250 N N 1.006 119.742 118.700 0.060 0.000 2.398 250 N HA -0.083 4.650 4.740 -0.012 0.000 0.188 250 N C 0.496 176.033 175.510 0.045 0.000 1.122 250 N CA 0.333 53.414 53.050 0.051 0.000 0.866 250 N CB -0.350 38.161 38.487 0.040 0.000 0.970 250 N HN 0.412 nan 8.380 nan 0.000 0.462 251 D N 0.747 121.174 120.400 0.044 0.000 2.230 251 D HA -0.093 4.540 4.640 -0.012 0.000 0.274 251 D C 1.430 177.749 176.300 0.032 0.000 1.222 251 D CA -0.067 53.931 54.000 -0.004 0.000 0.943 251 D CB -0.949 39.821 40.800 -0.050 0.000 0.920 251 D HN -0.059 nan 8.370 nan 0.000 0.300 252 F N 1.065 121.034 119.950 0.031 0.000 2.141 252 F HA -0.171 4.349 4.527 -0.012 0.000 0.300 252 F C 1.583 177.409 175.800 0.043 0.000 1.079 252 F CA 1.344 59.369 58.000 0.041 0.000 1.264 252 F CB -1.049 37.974 39.000 0.039 0.000 1.011 252 F HN 0.106 nan 8.300 nan 0.000 0.487 253 N N 0.505 119.341 118.700 0.226 0.000 3.115 253 N HA 0.096 4.829 4.740 -0.012 0.000 0.305 253 N C 0.806 176.373 175.510 0.096 0.000 1.305 253 N CA 0.176 53.307 53.050 0.136 0.000 1.154 253 N CB -0.047 38.498 38.487 0.097 0.000 1.454 253 N HN 0.118 nan 8.380 nan 0.000 0.551 254 L N -0.687 120.605 121.223 0.116 0.000 1.433 254 L HA -0.109 4.224 4.340 -0.012 0.000 0.146 254 L C 1.343 178.278 176.870 0.108 0.000 1.334 254 L CA 0.880 55.775 54.840 0.093 0.000 1.267 254 L CB -0.968 41.136 42.059 0.076 0.000 2.547 254 L HN 0.271 nan 8.230 nan 0.000 0.476 255 K N 0.284 120.721 120.400 0.062 0.000 2.296 255 K HA -0.034 4.279 4.320 -0.012 0.000 0.200 255 K C 0.500 177.136 176.600 0.060 0.000 1.048 255 K CA 1.041 57.313 56.287 -0.026 0.000 0.966 255 K CB -0.048 32.316 32.500 -0.226 0.000 0.754 255 K HN 0.157 nan 8.250 nan 0.000 0.466 256 D N 2.172 122.716 120.400 0.240 0.000 2.429 256 D HA -0.025 4.608 4.640 -0.012 0.000 0.253 256 D C -0.209 176.311 176.300 0.368 0.000 1.294 256 D CA -0.114 54.134 54.000 0.412 0.000 1.063 256 D CB -0.120 40.964 40.800 0.473 0.000 1.096 256 D HN 0.197 nan 8.370 nan 0.000 0.516 257 F N 1.277 121.266 119.950 0.065 0.000 2.373 257 F HA 0.325 4.845 4.527 -0.012 0.000 0.302 257 F C 0.571 176.400 175.800 0.048 0.000 1.247 257 F CA -1.973 56.056 58.000 0.048 0.000 1.169 257 F CB -0.285 38.731 39.000 0.025 0.000 1.309 257 F HN 0.347 nan 8.300 nan 0.000 0.537 258 N N -0.595 117.967 118.700 -0.230 0.000 3.506 258 N HA 0.072 4.806 4.740 -0.012 0.000 0.257 258 N C -1.708 173.732 175.510 -0.117 0.000 1.059 258 N CA 0.468 53.323 53.050 -0.326 0.000 0.672 258 N CB -0.922 37.233 38.487 -0.553 0.000 1.178 258 N HN 0.824 nan 8.380 nan 0.000 0.593 259 V N -1.654 118.242 119.914 -0.029 0.000 3.598 259 V HA -0.012 4.101 4.120 -0.012 0.000 0.514 259 V C 1.322 177.422 176.094 0.010 0.000 0.682 259 V CA 1.567 63.866 62.300 -0.001 0.000 2.068 259 V CB -0.858 30.954 31.823 -0.018 0.000 2.488 259 V HN 0.992 nan 8.190 nan 0.000 0.512 260 G N 0.897 109.712 108.800 0.025 0.000 3.611 260 G HA2 0.664 4.617 3.960 -0.012 0.000 0.217 260 G HA3 0.664 4.617 3.960 -0.012 0.000 0.217 260 G C 0.967 175.886 174.900 0.031 0.000 1.023 260 G CA 1.197 46.311 45.100 0.023 0.000 0.887 260 G HN 3.056 nan 8.290 nan 0.000 0.420 261 G N -1.135 107.697 108.800 0.055 0.000 2.931 261 G HA2 0.306 4.259 3.960 -0.012 0.000 0.675 261 G HA3 0.306 4.259 3.960 -0.012 0.000 0.675 261 G C -0.135 174.819 174.900 0.089 0.000 1.339 261 G CA 0.197 45.339 45.100 0.070 0.000 0.866 261 G HN 1.438 nan 8.290 nan 0.000 0.616 262 Y N 3.009 123.325 120.300 0.026 0.000 2.220 262 Y HA 0.081 4.624 4.550 -0.012 0.000 0.291 262 Y C 2.449 178.364 175.900 0.025 0.000 1.129 262 Y CA 2.006 60.123 58.100 0.028 0.000 1.161 262 Y CB 0.021 38.496 38.460 0.024 0.000 0.997 262 Y HN 0.482 nan 8.280 nan 0.000 0.522 263 I N 0.476 120.960 120.570 -0.143 0.000 2.142 263 I HA -0.276 3.887 4.170 -0.012 0.000 0.240 263 I C 2.357 178.367 176.117 -0.179 0.000 1.078 263 I CA 1.389 62.565 61.300 -0.207 0.000 1.343 263 I CB -1.348 36.641 38.000 -0.018 0.000 1.046 263 I HN 0.322 nan 8.210 nan 0.000 0.405 264 Q N 0.663 120.411 119.800 -0.086 0.000 2.135 264 Q HA -0.163 4.170 4.340 -0.012 0.000 0.204 264 Q C 2.336 178.291 176.000 -0.075 0.000 0.981 264 Q CA 1.951 57.718 55.803 -0.059 0.000 0.856 264 Q CB -0.360 28.365 28.738 -0.022 0.000 0.902 264 Q HN 0.552 nan 8.270 nan 0.000 0.425 265 A N -0.260 122.502 122.820 -0.097 0.000 1.902 265 A HA -0.134 4.179 4.320 -0.012 0.000 0.217 265 A C 2.389 179.908 177.584 -0.109 0.000 1.181 265 A CA 1.647 53.638 52.037 -0.076 0.000 0.623 265 A CB -0.612 18.357 19.000 -0.052 0.000 0.818 265 A HN 0.235 nan 8.150 nan 0.000 0.443 266 V N 0.142 119.927 119.914 -0.217 0.000 2.427 266 V HA -0.196 3.917 4.120 -0.012 0.000 0.248 266 V C 2.468 178.502 176.094 -0.100 0.000 1.051 266 V CA 1.694 63.883 62.300 -0.185 0.000 1.048 266 V CB -0.640 30.999 31.823 -0.306 0.000 0.666 266 V HN 0.561 nan 8.190 nan 0.000 0.456 267 L N -0.358 120.809 121.223 -0.095 0.000 2.201 267 L HA -0.109 4.224 4.340 -0.012 0.000 0.212 267 L C 1.900 178.752 176.870 -0.029 0.000 1.105 267 L CA 1.103 55.912 54.840 -0.051 0.000 0.775 267 L CB -0.587 41.445 42.059 -0.044 0.000 0.913 267 L HN 0.323 nan 8.230 nan 0.000 0.440 268 D N 0.053 120.434 120.400 -0.032 0.000 2.363 268 D HA -0.054 4.579 4.640 -0.012 0.000 0.220 268 D C 2.122 178.420 176.300 -0.003 0.000 0.994 268 D CA 0.413 54.405 54.000 -0.014 0.000 0.890 268 D CB 0.097 40.889 40.800 -0.012 0.000 0.906 268 D HN 0.212 nan 8.370 nan 0.000 0.530 269 R N 0.399 120.897 120.500 -0.004 0.000 2.152 269 R HA 0.013 4.346 4.340 -0.012 0.000 0.232 269 R C 0.386 176.696 176.300 0.016 0.000 1.117 269 R CA 0.529 56.636 56.100 0.012 0.000 0.981 269 R CB -0.068 30.239 30.300 0.013 0.000 0.870 269 R HN 0.060 nan 8.270 nan 0.000 0.451 270 N N 1.093 119.800 118.700 0.012 0.000 3.178 270 N HA 0.016 4.749 4.740 -0.012 0.000 0.300 270 N C 0.022 175.540 175.510 0.012 0.000 1.242 270 N CA 0.466 53.527 53.050 0.018 0.000 1.192 270 N CB 1.097 39.597 38.487 0.021 0.000 1.463 270 N HN 0.109 nan 8.380 nan 0.000 0.539 271 L N -0.477 120.750 121.223 0.006 0.000 2.726 271 L HA 0.212 4.545 4.340 -0.012 0.000 0.287 271 L C 1.657 178.515 176.870 -0.019 0.000 1.047 271 L CA 0.475 55.314 54.840 -0.003 0.000 1.304 271 L CB -0.294 41.763 42.059 -0.003 0.000 2.440 271 L HN 0.238 nan 8.230 nan 0.000 0.569 272 A N -0.711 122.103 122.820 -0.011 0.000 2.044 272 A HA 0.069 4.382 4.320 -0.012 0.000 0.213 272 A C 1.737 179.294 177.584 -0.044 0.000 1.169 272 A CA 0.932 52.954 52.037 -0.025 0.000 0.724 272 A CB -0.141 18.872 19.000 0.023 0.000 0.840 272 A HN 0.414 nan 8.150 nan 0.000 0.463 273 E N 0.271 120.464 120.200 -0.010 0.000 2.435 273 E HA -0.052 4.291 4.350 -0.012 0.000 0.195 273 E C 0.810 177.407 176.600 -0.004 0.000 1.029 273 E CA 0.100 56.499 56.400 -0.002 0.000 0.865 273 E CB -0.076 29.645 29.700 0.036 0.000 0.833 273 E HN 0.411 nan 8.360 nan 0.000 0.510 274 N N 0.964 119.662 118.700 -0.004 0.000 2.520 274 N HA -0.051 4.682 4.740 -0.012 0.000 0.185 274 N C 1.534 177.051 175.510 0.012 0.000 1.068 274 N CA 0.518 53.583 53.050 0.024 0.000 0.911 274 N CB 0.019 38.519 38.487 0.022 0.000 0.961 274 N HN 0.249 nan 8.380 nan 0.000 0.446 275 I N 0.110 120.629 120.570 -0.085 0.000 2.335 275 I HA -0.216 3.947 4.170 -0.012 0.000 0.251 275 I C 1.353 177.425 176.117 -0.075 0.000 1.129 275 I CA 1.139 62.349 61.300 -0.151 0.000 1.402 275 I CB -0.073 37.672 38.000 -0.425 0.000 1.069 275 I HN 0.121 nan 8.210 nan 0.000 0.424 276 S N -0.788 114.878 115.700 -0.056 0.000 2.602 276 S HA 0.200 4.663 4.470 -0.012 0.000 0.240 276 S C 1.451 176.187 174.600 0.228 0.000 0.992 276 S CA -0.634 57.615 58.200 0.081 0.000 0.971 276 S CB 0.255 63.479 63.200 0.039 0.000 0.855 276 S HN 0.198 nan 8.310 nan 0.000 0.481 277 R N 1.235 121.871 120.500 0.227 0.000 2.062 277 R HA 0.250 4.583 4.340 -0.012 0.000 0.229 277 R C 0.473 177.029 176.300 0.428 0.000 1.128 277 R CA 1.380 57.657 56.100 0.296 0.000 0.960 277 R CB -0.236 30.211 30.300 0.244 0.000 0.855 277 R HN 0.398 nan 8.270 nan 0.000 0.432 278 V N 0.193 120.318 119.914 0.352 0.000 2.971 278 V HA 0.390 4.503 4.120 -0.012 0.000 0.309 278 V C -1.546 174.528 176.094 -0.034 0.000 1.130 278 V CA -1.350 61.087 62.300 0.229 0.000 0.964 278 V CB 1.836 33.721 31.823 0.104 0.000 1.029 278 V HN 0.192 nan 8.190 nan 0.000 0.427 279 L N 5.934 126.908 121.223 -0.414 0.000 2.349 279 L HA 0.527 4.860 4.340 -0.012 0.000 0.275 279 L C -0.975 175.734 176.870 -0.268 0.000 1.115 279 L CA 0.291 54.668 54.840 -0.772 0.000 0.820 279 L CB 0.813 42.295 42.059 -0.962 0.000 1.135 279 L HN 0.692 nan 8.230 nan 0.000 0.445 280 Y N 6.356 126.566 120.300 -0.150 0.000 2.496 280 Y HA 0.225 4.768 4.550 -0.012 0.000 0.334 280 Y C -1.425 174.467 175.900 -0.013 0.000 1.080 280 Y CA -1.409 56.676 58.100 -0.024 0.000 1.355 280 Y CB 0.414 38.886 38.460 0.021 0.000 1.193 280 Y HN 0.561 nan 8.280 nan 0.000 0.523 281 P HA -0.004 nan 4.420 nan 0.000 0.258 281 P C -0.876 176.546 177.300 0.203 0.000 1.559 281 P CA 0.196 63.395 63.100 0.164 0.000 0.855 281 P CB 0.002 31.895 31.700 0.322 0.000 1.594 282 N N 1.309 120.141 118.700 0.220 0.000 2.426 282 N HA 0.133 4.866 4.740 -0.012 0.000 0.275 282 N C -0.482 175.178 175.510 0.250 0.000 1.019 282 N CA 0.176 53.380 53.050 0.257 0.000 0.941 282 N CB 1.322 40.003 38.487 0.324 0.000 1.123 282 N HN 0.142 nan 8.380 nan 0.000 0.486 283 D N 2.010 122.589 120.400 0.299 0.000 2.344 283 D HA 0.123 4.756 4.640 -0.012 0.000 0.239 283 D C -0.344 176.234 176.300 0.462 0.000 1.064 283 D CA -0.227 53.979 54.000 0.342 0.000 0.829 283 D CB 0.523 41.539 40.800 0.360 0.000 1.129 283 D HN 0.346 nan 8.370 nan 0.000 0.506 284 N N 2.760 121.655 118.700 0.325 0.000 2.714 284 N HA -0.260 4.473 4.740 -0.012 0.000 0.252 284 N C -1.151 174.579 175.510 0.367 0.000 1.014 284 N CA 0.817 54.019 53.050 0.252 0.000 0.735 284 N CB -1.000 37.549 38.487 0.103 0.000 0.924 284 N HN 0.418 nan 8.380 nan 0.000 0.540 285 F N 0.488 120.540 119.950 0.171 0.000 2.635 285 F HA 0.450 4.970 4.527 -0.012 0.000 0.314 285 F C -1.449 174.443 175.800 0.154 0.000 1.119 285 F CA -1.166 56.911 58.000 0.129 0.000 1.000 285 F CB 0.935 39.981 39.000 0.077 0.000 1.278 285 F HN -0.060 nan 8.300 nan 0.000 0.446 286 F N 5.696 125.237 119.950 -0.682 0.000 2.415 286 F HA 0.545 5.065 4.527 -0.012 0.000 0.348 286 F C -0.673 174.779 175.800 -0.580 0.000 1.119 286 F CA -0.341 57.352 58.000 -0.511 0.000 1.069 286 F CB 1.049 39.768 39.000 -0.468 0.000 1.124 286 F HN 0.508 nan 8.300 nan 0.000 0.472 287 E N 3.696 123.338 120.200 -0.929 0.000 2.145 287 E HA 0.298 4.641 4.350 -0.012 0.000 0.262 287 E C -0.153 175.714 176.600 -1.222 0.000 0.883 287 E CA -0.657 55.256 56.400 -0.812 0.000 0.748 287 E CB 1.409 30.986 29.700 -0.205 0.000 1.140 287 E HN 0.948 nan 8.360 nan 0.000 0.417 288 G N 4.599 112.624 108.800 -1.293 0.000 3.316 288 G HA2 0.023 3.976 3.960 -0.012 0.000 0.255 288 G HA3 0.023 3.976 3.960 -0.012 0.000 0.255 288 G C 0.123 174.952 174.900 -0.118 0.000 0.880 288 G CA -0.194 44.353 45.100 -0.922 0.000 1.956 288 G HN 0.130 nan 8.290 nan 0.000 0.634 289 K N 0.293 120.683 120.400 -0.017 0.000 2.098 289 K HA 0.223 4.537 4.320 -0.012 0.000 0.258 289 K C 0.934 177.666 176.600 0.221 0.000 0.973 289 K CA -0.808 55.550 56.287 0.118 0.000 0.898 289 K CB 2.137 34.708 32.500 0.117 0.000 1.057 289 K HN 0.379 nan 8.250 nan 0.000 0.447 290 E N 1.172 121.463 120.200 0.152 0.000 2.106 290 E HA -0.175 4.169 4.350 -0.012 0.000 0.192 290 E C 1.488 178.112 176.600 0.041 0.000 0.984 290 E CA 0.721 57.163 56.400 0.070 0.000 0.806 290 E CB 0.174 29.914 29.700 0.067 0.000 0.750 290 E HN 0.369 nan 8.360 nan 0.000 0.458 291 L N 1.489 122.782 121.223 0.115 0.000 2.079 291 L HA -0.183 4.150 4.340 -0.012 0.000 0.210 291 L C 2.354 179.317 176.870 0.155 0.000 1.081 291 L CA 1.623 56.554 54.840 0.152 0.000 0.752 291 L CB -0.570 41.660 42.059 0.286 0.000 0.896 291 L HN 0.031 nan 8.230 nan 0.000 0.433 292 R N -0.537 119.995 120.500 0.053 0.000 2.073 292 R HA -0.116 4.217 4.340 -0.012 0.000 0.234 292 R C 2.233 178.574 176.300 0.069 0.000 1.134 292 R CA 1.679 57.745 56.100 -0.058 0.000 0.952 292 R CB -1.250 28.873 30.300 -0.296 0.000 0.850 292 R HN 0.420 nan 8.270 nan 0.000 0.433 293 L N 1.557 122.733 121.223 -0.078 0.000 2.079 293 L HA -0.139 4.194 4.340 -0.012 0.000 0.210 293 L C 1.918 178.728 176.870 -0.099 0.000 1.081 293 L CA 1.883 56.476 54.840 -0.412 0.000 0.752 293 L CB -0.334 41.157 42.059 -0.947 0.000 0.896 293 L HN 0.054 nan 8.230 nan 0.000 0.433 294 K N -1.108 119.282 120.400 -0.016 0.000 2.097 294 K HA -0.155 4.158 4.320 -0.012 0.000 0.205 294 K C 2.078 178.831 176.600 0.255 0.000 1.050 294 K CA 1.582 57.928 56.287 0.098 0.000 0.938 294 K CB -0.104 32.294 32.500 -0.170 0.000 0.718 294 K HN 0.519 nan 8.250 nan 0.000 0.442 295 Q N 0.485 120.406 119.800 0.203 0.000 2.079 295 Q HA -0.166 4.167 4.340 -0.012 0.000 0.200 295 Q C 1.873 178.070 176.000 0.329 0.000 0.974 295 Q CA 1.271 57.248 55.803 0.290 0.000 0.840 295 Q CB 0.030 28.959 28.738 0.319 0.000 0.898 295 Q HN 0.361 nan 8.270 nan 0.000 0.430 296 E N -0.059 120.288 120.200 0.245 0.000 2.051 296 E HA -0.212 4.131 4.350 -0.012 0.000 0.192 296 E C 1.719 178.430 176.600 0.185 0.000 0.991 296 E CA 1.055 57.581 56.400 0.210 0.000 0.799 296 E CB -0.112 29.689 29.700 0.169 0.000 0.748 296 E HN 0.314 nan 8.360 nan 0.000 0.449 297 Y N 0.187 120.533 120.300 0.076 0.000 2.314 297 Y HA -0.185 4.358 4.550 -0.012 0.000 0.293 297 Y C 1.898 177.829 175.900 0.053 0.000 1.129 297 Y CA 0.903 59.000 58.100 -0.005 0.000 1.201 297 Y CB -0.299 38.119 38.460 -0.070 0.000 0.999 297 Y HN 0.020 nan 8.280 nan 0.000 0.541 298 F N -0.444 119.493 119.950 -0.023 0.000 2.095 298 F HA -0.214 4.306 4.527 -0.012 0.000 0.298 298 F C 2.457 178.113 175.800 -0.240 0.000 1.104 298 F CA 1.953 59.898 58.000 -0.091 0.000 1.232 298 F CB -0.957 38.138 39.000 0.158 0.000 0.987 298 F HN -0.073 nan 8.300 nan 0.000 0.475 299 V N -0.547 119.325 119.914 -0.070 0.000 2.427 299 V HA -0.175 3.938 4.120 -0.012 0.000 0.248 299 V C 2.137 178.069 176.094 -0.269 0.000 1.051 299 V CA 1.829 64.049 62.300 -0.134 0.000 1.048 299 V CB -0.328 31.617 31.823 0.203 0.000 0.666 299 V HN 0.250 nan 8.190 nan 0.000 0.456 300 V N 0.526 120.290 119.914 -0.250 0.000 2.270 300 V HA -0.173 3.940 4.120 -0.012 0.000 0.245 300 V C 2.843 178.670 176.094 -0.446 0.000 1.043 300 V CA 2.170 64.308 62.300 -0.270 0.000 1.014 300 V CB -1.132 30.590 31.823 -0.170 0.000 0.645 300 V HN 0.639 nan 8.190 nan 0.000 0.447 301 A N -0.129 122.259 122.820 -0.721 0.000 1.883 301 A HA -0.152 4.161 4.320 -0.012 0.000 0.217 301 A C 2.396 179.603 177.584 -0.627 0.000 1.186 301 A CA 2.313 53.921 52.037 -0.715 0.000 0.624 301 A CB -0.864 17.501 19.000 -1.059 0.000 0.822 301 A HN 0.582 nan 8.150 nan 0.000 0.444 302 A N -1.244 121.040 122.820 -0.894 0.000 1.873 302 A HA -0.056 4.257 4.320 -0.012 0.000 0.215 302 A C 2.312 179.381 177.584 -0.859 0.000 1.186 302 A CA 2.241 53.569 52.037 -1.181 0.000 0.616 302 A CB -1.273 16.386 19.000 -2.235 0.000 0.823 302 A HN 0.425 nan 8.150 nan 0.000 0.442 303 T N 0.385 114.561 114.554 -0.631 0.000 2.746 303 T HA -0.086 4.257 4.350 -0.012 0.000 0.267 303 T C 1.801 176.223 174.700 -0.464 0.000 1.039 303 T CA 1.460 63.326 62.100 -0.389 0.000 1.142 303 T CB -0.348 68.291 68.868 -0.381 0.000 0.866 303 T HN 0.334 nan 8.240 nan 0.000 0.444 304 L N 0.627 121.621 121.223 -0.382 0.000 2.093 304 L HA -0.112 4.221 4.340 -0.012 0.000 0.208 304 L C 2.897 179.635 176.870 -0.221 0.000 1.085 304 L CA 1.253 55.916 54.840 -0.294 0.000 0.755 304 L CB -0.443 41.482 42.059 -0.223 0.000 0.904 304 L HN 0.325 nan 8.230 nan 0.000 0.435 305 Q N -0.604 119.068 119.800 -0.213 0.000 2.124 305 Q HA -0.246 4.088 4.340 -0.012 0.000 0.202 305 Q C 1.690 177.650 176.000 -0.068 0.000 0.977 305 Q CA 1.669 57.398 55.803 -0.122 0.000 0.850 305 Q CB -0.104 28.556 28.738 -0.131 0.000 0.901 305 Q HN 0.404 nan 8.270 nan 0.000 0.429 306 D N 0.520 120.874 120.400 -0.076 0.000 2.144 306 D HA -0.083 4.550 4.640 -0.012 0.000 0.200 306 D C 1.657 177.895 176.300 -0.103 0.000 0.978 306 D CA 0.792 54.794 54.000 0.003 0.000 0.833 306 D CB 0.019 40.928 40.800 0.181 0.000 0.961 306 D HN 0.154 nan 8.370 nan 0.000 0.470 307 I N 0.040 120.435 120.570 -0.292 0.000 2.202 307 I HA -0.215 3.948 4.170 -0.012 0.000 0.242 307 I C 2.294 178.405 176.117 -0.009 0.000 1.091 307 I CA 0.702 61.772 61.300 -0.383 0.000 1.368 307 I CB -0.086 37.519 38.000 -0.658 0.000 1.058 307 I HN 0.033 nan 8.210 nan 0.000 0.410 308 I N 0.355 120.962 120.570 0.061 0.000 2.315 308 I HA -0.287 3.876 4.170 -0.012 0.000 0.248 308 I C 2.783 179.033 176.117 0.222 0.000 1.117 308 I CA 1.116 62.553 61.300 0.229 0.000 1.404 308 I CB -0.336 37.747 38.000 0.139 0.000 1.071 308 I HN 0.208 nan 8.210 nan 0.000 0.419 309 R N 1.148 121.719 120.500 0.118 0.000 2.081 309 R HA -0.210 4.123 4.340 -0.012 0.000 0.235 309 R C 2.445 178.811 176.300 0.111 0.000 1.131 309 R CA 1.604 57.766 56.100 0.103 0.000 0.960 309 R CB -0.273 30.070 30.300 0.071 0.000 0.856 309 R HN 0.205 nan 8.270 nan 0.000 0.436 310 R N -0.632 119.936 120.500 0.112 0.000 2.096 310 R HA -0.157 4.176 4.340 -0.012 0.000 0.235 310 R C 2.144 178.546 176.300 0.170 0.000 1.127 310 R CA 1.710 57.890 56.100 0.132 0.000 0.968 310 R CB -0.331 30.043 30.300 0.124 0.000 0.861 310 R HN 0.288 nan 8.270 nan 0.000 0.440 311 F N 1.528 121.508 119.950 0.051 0.000 2.146 311 F HA -0.089 4.431 4.527 -0.012 0.000 0.298 311 F C 1.686 177.455 175.800 -0.051 0.000 1.096 311 F CA 1.408 59.404 58.000 -0.007 0.000 1.275 311 F CB -0.002 39.033 39.000 0.059 0.000 1.008 311 F HN -0.179 nan 8.300 nan 0.000 0.480 312 K N -0.008 120.372 120.400 -0.034 0.000 2.360 312 K HA -0.100 4.213 4.320 -0.012 0.000 0.201 312 K C 2.011 178.544 176.600 -0.110 0.000 1.046 312 K CA 1.214 57.414 56.287 -0.144 0.000 0.940 312 K CB -0.160 32.358 32.500 0.030 0.000 0.748 312 K HN 0.298 nan 8.250 nan 0.000 0.465 313 S N -0.072 115.607 115.700 -0.035 0.000 2.357 313 S HA -0.010 4.453 4.470 -0.012 0.000 0.209 313 S C 1.260 175.866 174.600 0.010 0.000 1.023 313 S CA 0.074 58.298 58.200 0.040 0.000 0.933 313 S CB 0.008 63.296 63.200 0.145 0.000 0.897 313 S HN 0.223 nan 8.310 nan 0.000 0.529 314 S N 0.967 116.675 115.700 0.014 0.000 4.133 314 S HA -0.301 4.162 4.470 -0.012 0.000 0.538 314 S C 1.102 175.681 174.600 -0.034 0.000 1.028 314 S CA 2.159 60.361 58.200 0.004 0.000 3.467 314 S CB -0.598 62.617 63.200 0.024 0.000 2.265 314 S HN 0.468 nan 8.310 nan 0.000 0.494 315 K N -0.683 119.743 120.400 0.045 0.000 2.477 315 K HA 0.439 4.752 4.320 -0.012 0.000 0.208 315 K C 1.052 177.539 176.600 -0.189 0.000 1.117 315 K CA 0.034 56.253 56.287 -0.114 0.000 1.039 315 K CB 0.206 32.590 32.500 -0.194 0.000 0.937 315 K HN 0.329 nan 8.250 nan 0.000 0.570 316 F N -0.519 119.281 119.950 -0.250 0.000 2.387 316 F HA 0.212 4.731 4.527 -0.012 0.000 0.294 316 F C 1.814 177.494 175.800 -0.201 0.000 1.093 316 F CA 0.383 58.228 58.000 -0.258 0.000 1.420 316 F CB -0.168 38.565 39.000 -0.446 0.000 1.086 316 F HN -0.002 nan 8.300 nan 0.000 0.531 317 G N -1.696 107.114 108.800 0.017 0.000 3.452 317 G HA2 0.210 4.163 3.960 -0.012 0.000 0.258 317 G HA3 0.210 4.163 3.960 -0.012 0.000 0.258 317 G C 0.431 175.329 174.900 -0.003 0.000 1.305 317 G CA 0.452 45.550 45.100 -0.004 0.000 1.514 317 G HN 0.448 nan 8.290 nan 0.000 0.593 318 C N -1.504 117.778 119.300 -0.029 0.000 3.692 318 C HA 0.350 4.803 4.460 -0.012 0.000 0.448 318 C C 1.318 176.274 174.990 -0.056 0.000 1.278 318 C CA 0.782 59.777 59.018 -0.039 0.000 2.229 318 C CB 0.465 28.170 27.740 -0.059 0.000 2.815 318 C HN 0.596 nan 8.230 nan 0.000 0.440 319 R N 0.957 121.398 120.500 -0.097 0.000 3.342 319 R HA 0.343 4.676 4.340 -0.012 0.000 0.093 319 R C -0.386 175.813 176.300 -0.168 0.000 0.672 319 R CA 1.000 57.037 56.100 -0.106 0.000 0.495 319 R CB -1.010 29.232 30.300 -0.096 0.000 0.508 319 R HN 0.269 nan 8.270 nan 0.000 0.335 320 D N -0.188 120.075 120.400 -0.228 0.000 3.455 320 D HA -0.138 4.495 4.640 -0.012 0.000 0.216 320 D C -1.611 174.588 176.300 -0.168 0.000 1.510 320 D CA 1.485 55.297 54.000 -0.313 0.000 1.128 320 D CB -1.241 39.156 40.800 -0.672 0.000 0.680 320 D HN 0.404 nan 8.370 nan 0.000 0.828 321 P HA 0.027 nan 4.420 nan 0.000 0.222 321 P C 0.407 177.695 177.300 -0.020 0.000 1.147 321 P CA 0.954 64.028 63.100 -0.043 0.000 0.790 321 P CB 0.232 31.937 31.700 0.008 0.000 0.780 322 V N -0.591 119.311 119.914 -0.020 0.000 3.497 322 V HA -0.207 3.906 4.120 -0.012 0.000 0.484 322 V C -0.286 175.824 176.094 0.027 0.000 0.682 322 V CA 1.146 63.445 62.300 -0.001 0.000 2.014 322 V CB -1.219 30.596 31.823 -0.013 0.000 2.451 322 V HN 0.574 nan 8.190 nan 0.000 0.502 323 R N 2.878 123.404 120.500 0.043 0.000 7.363 323 R HA 0.024 4.357 4.340 -0.012 0.000 0.261 323 R C -0.010 176.333 176.300 0.072 0.000 0.794 323 R CA 0.504 56.639 56.100 0.058 0.000 1.826 323 R CB -0.230 30.108 30.300 0.062 0.000 1.258 323 R HN 0.820 nan 8.270 nan 0.000 0.877 324 T N 2.874 117.462 114.554 0.057 0.000 3.057 324 T HA -0.035 4.308 4.350 -0.012 0.000 0.232 324 T C 0.238 174.954 174.700 0.027 0.000 1.018 324 T CA 0.351 62.448 62.100 -0.004 0.000 1.506 324 T CB -0.779 68.103 68.868 0.023 0.000 1.063 324 T HN 0.349 nan 8.240 nan 0.000 0.613 325 N N 1.363 120.102 118.700 0.064 0.000 2.420 325 N HA 0.298 5.031 4.740 -0.012 0.000 0.249 325 N C 0.154 175.727 175.510 0.104 0.000 1.033 325 N CA -0.513 52.621 53.050 0.141 0.000 0.944 325 N CB 0.427 39.019 38.487 0.174 0.000 1.113 325 N HN 0.384 nan 8.380 nan 0.000 0.502 326 F N 0.612 120.637 119.950 0.126 0.000 2.804 326 F HA 0.036 4.556 4.527 -0.012 0.000 0.303 326 F C 1.542 177.378 175.800 0.060 0.000 1.154 326 F CA 0.160 58.189 58.000 0.048 0.000 1.401 326 F CB 0.166 39.076 39.000 -0.150 0.000 1.106 326 F HN 0.557 nan 8.300 nan 0.000 0.568 327 D N 0.251 120.785 120.400 0.223 0.000 2.219 327 D HA -0.119 4.514 4.640 -0.012 0.000 0.205 327 D C 2.114 178.515 176.300 0.170 0.000 0.970 327 D CA 1.170 55.272 54.000 0.170 0.000 0.851 327 D CB 0.121 41.010 40.800 0.149 0.000 0.943 327 D HN 0.329 nan 8.370 nan 0.000 0.488 328 A N -0.071 122.883 122.820 0.224 0.000 2.275 328 A HA 0.046 4.359 4.320 -0.012 0.000 0.212 328 A C 1.545 179.199 177.584 0.116 0.000 1.201 328 A CA -0.335 51.845 52.037 0.239 0.000 0.843 328 A CB -0.461 18.825 19.000 0.478 0.000 0.873 328 A HN 0.079 nan 8.150 nan 0.000 0.492 329 F N 2.150 121.972 119.950 -0.213 0.000 2.065 329 F HA -0.097 4.423 4.527 -0.011 0.000 0.298 329 F C -0.856 174.777 175.800 -0.278 0.000 1.112 329 F CA 2.141 59.786 58.000 -0.593 0.000 1.212 329 F CB -0.924 37.783 39.000 -0.488 0.000 0.975 329 F HN 0.183 nan 8.300 nan 0.000 0.476 330 P HA -0.110 nan 4.420 nan 0.000 0.222 330 P C 0.792 178.021 177.300 -0.118 0.000 1.147 330 P CA 1.632 64.655 63.100 -0.129 0.000 0.790 330 P CB -0.079 31.596 31.700 -0.041 0.000 0.780 331 D N -1.189 119.177 120.400 -0.056 0.000 2.347 331 D HA -0.016 4.617 4.640 -0.012 0.000 0.213 331 D C 1.521 177.821 176.300 0.000 0.000 0.985 331 D CA 0.808 54.810 54.000 0.003 0.000 0.879 331 D CB 0.117 40.963 40.800 0.077 0.000 0.919 331 D HN 0.136 nan 8.370 nan 0.000 0.526 332 K N -0.188 120.168 120.400 -0.073 0.000 2.425 332 K HA 0.213 4.526 4.320 -0.012 0.000 0.201 332 K C 0.011 176.507 176.600 -0.172 0.000 1.128 332 K CA 0.099 56.361 56.287 -0.041 0.000 1.000 332 K CB 2.237 34.817 32.500 0.133 0.000 0.961 332 K HN -0.068 nan 8.250 nan 0.000 0.555 333 V N 0.977 120.664 119.914 -0.379 0.000 2.656 333 V HA 0.705 4.818 4.120 -0.012 0.000 0.307 333 V C -1.135 174.818 176.094 -0.235 0.000 1.051 333 V CA -1.177 60.892 62.300 -0.384 0.000 0.893 333 V CB 1.884 33.146 31.823 -0.936 0.000 0.999 333 V HN 0.133 nan 8.190 nan 0.000 0.426 334 A N 5.098 127.856 122.820 -0.105 0.000 2.402 334 A HA 0.884 5.197 4.320 -0.012 0.000 0.291 334 A C -1.090 176.492 177.584 -0.004 0.000 1.051 334 A CA -0.429 51.580 52.037 -0.048 0.000 0.716 334 A CB 1.269 20.199 19.000 -0.116 0.000 1.223 334 A HN 1.239 nan 8.150 nan 0.000 0.425 335 I N 0.539 121.156 120.570 0.078 0.000 2.418 335 I HA 0.721 4.884 4.170 -0.012 0.000 0.287 335 I C -0.634 175.559 176.117 0.128 0.000 1.008 335 I CA -0.463 60.902 61.300 0.109 0.000 1.104 335 I CB 1.858 39.905 38.000 0.078 0.000 1.264 335 I HN 0.525 nan 8.210 nan 0.000 0.438 336 Q N 5.834 125.713 119.800 0.131 0.000 2.278 336 Q HA 0.518 4.851 4.340 -0.012 0.000 0.257 336 Q C -1.590 174.411 176.000 0.002 0.000 0.928 336 Q CA -0.435 55.481 55.803 0.188 0.000 0.932 336 Q CB 1.489 30.462 28.738 0.391 0.000 1.221 336 Q HN 0.767 nan 8.270 nan 0.000 0.434 337 L N 4.375 125.641 121.223 0.071 0.000 2.268 337 L HA 0.319 4.652 4.340 -0.012 0.000 0.289 337 L C -0.287 176.624 176.870 0.068 0.000 1.064 337 L CA -0.188 54.685 54.840 0.054 0.000 0.824 337 L CB 0.453 42.585 42.059 0.122 0.000 1.202 337 L HN 0.607 nan 8.230 nan 0.000 0.433 338 N N 4.147 122.801 118.700 -0.076 0.000 2.508 338 N HA 0.120 4.854 4.740 -0.012 0.000 0.253 338 N C -0.119 175.435 175.510 0.074 0.000 1.145 338 N CA 0.522 53.588 53.050 0.027 0.000 0.973 338 N CB -0.150 38.261 38.487 -0.128 0.000 1.305 338 N HN 0.554 nan 8.380 nan 0.000 0.506 339 D N -0.297 120.248 120.400 0.241 0.000 4.808 339 D HA -0.216 4.417 4.640 -0.012 0.000 0.304 339 D C 0.297 176.672 176.300 0.125 0.000 2.360 339 D CA 1.446 55.560 54.000 0.191 0.000 1.222 339 D CB -0.559 40.072 40.800 -0.282 0.000 1.085 339 D HN 0.490 nan 8.370 nan 0.000 1.266 340 T N -2.279 112.262 114.554 -0.021 0.000 3.129 340 T HA 0.118 4.461 4.350 -0.012 0.000 0.251 340 T C 1.620 176.356 174.700 0.061 0.000 1.117 340 T CA 1.424 63.483 62.100 -0.069 0.000 1.034 340 T CB -0.504 68.292 68.868 -0.120 0.000 0.968 340 T HN 0.496 nan 8.240 nan 0.000 0.526 341 H N 2.499 121.638 119.070 0.116 0.000 2.352 341 H HA -0.003 4.546 4.556 -0.012 0.000 0.299 341 H C -0.861 174.543 175.328 0.126 0.000 1.097 341 H CA 1.042 57.177 56.048 0.146 0.000 1.311 341 H CB -0.738 29.113 29.762 0.149 0.000 1.377 341 H HN 0.448 nan 8.280 nan 0.000 0.504 342 P HA 0.070 nan 4.420 nan 0.000 0.263 342 P C 0.888 178.220 177.300 0.054 0.000 1.448 342 P CA 0.363 63.532 63.100 0.116 0.000 0.983 342 P CB 0.372 32.129 31.700 0.094 0.000 1.481 343 S N -0.137 115.586 115.700 0.038 0.000 2.440 343 S HA -0.142 4.321 4.470 -0.012 0.000 0.238 343 S C 1.722 176.319 174.600 -0.006 0.000 1.010 343 S CA 0.866 59.049 58.200 -0.028 0.000 0.972 343 S CB -1.508 61.650 63.200 -0.071 0.000 0.774 343 S HN 0.151 nan 8.310 nan 0.000 0.501 344 L N 0.859 122.098 121.223 0.028 0.000 2.456 344 L HA 0.048 4.381 4.340 -0.012 0.000 0.224 344 L C 2.930 179.841 176.870 0.068 0.000 1.148 344 L CA 0.625 55.493 54.840 0.046 0.000 0.825 344 L CB -0.710 41.387 42.059 0.063 0.000 0.937 344 L HN 0.492 nan 8.230 nan 0.000 0.450 345 A N 0.433 123.267 122.820 0.023 0.000 1.972 345 A HA -0.185 4.128 4.320 -0.012 0.000 0.219 345 A C 2.160 179.737 177.584 -0.011 0.000 1.169 345 A CA 1.384 53.416 52.037 -0.007 0.000 0.635 345 A CB -0.411 18.573 19.000 -0.026 0.000 0.810 345 A HN 0.356 nan 8.150 nan 0.000 0.446 346 I N 0.295 120.860 120.570 -0.009 0.000 2.110 346 I HA -0.137 4.026 4.170 -0.012 0.000 0.236 346 I C -0.373 175.752 176.117 0.013 0.000 1.068 346 I CA 1.544 62.835 61.300 -0.015 0.000 1.333 346 I CB -0.861 37.134 38.000 -0.008 0.000 1.054 346 I HN 0.236 nan 8.210 nan 0.000 0.402 347 P HA -0.168 nan 4.420 nan 0.000 0.223 347 P C 1.237 178.518 177.300 -0.031 0.000 1.151 347 P CA 1.462 64.578 63.100 0.028 0.000 0.787 347 P CB 0.026 31.762 31.700 0.060 0.000 0.788 348 E N 0.216 120.465 120.200 0.083 0.000 2.107 348 E HA -0.135 4.208 4.350 -0.012 0.000 0.191 348 E C 1.894 178.454 176.600 -0.067 0.000 0.982 348 E CA 0.568 57.026 56.400 0.096 0.000 0.809 348 E CB -1.163 28.680 29.700 0.238 0.000 0.756 348 E HN -0.024 nan 8.360 nan 0.000 0.459 349 L N 0.055 121.219 121.223 -0.098 0.000 2.083 349 L HA -0.059 4.274 4.340 -0.012 0.000 0.209 349 L C 1.990 178.708 176.870 -0.254 0.000 1.083 349 L CA 1.708 56.438 54.840 -0.185 0.000 0.752 349 L CB -0.579 41.382 42.059 -0.163 0.000 0.899 349 L HN 0.253 nan 8.230 nan 0.000 0.433 350 M N -0.752 118.713 119.600 -0.225 0.000 2.132 350 M HA -0.172 4.301 4.480 -0.012 0.000 0.263 350 M C 2.418 178.535 176.300 -0.305 0.000 1.065 350 M CA 1.463 56.578 55.300 -0.308 0.000 1.122 350 M CB -1.106 31.306 32.600 -0.312 0.000 1.365 350 M HN 0.323 nan 8.290 nan 0.000 0.411 351 R N -0.120 120.221 120.500 -0.265 0.000 2.083 351 R HA -0.141 4.192 4.340 -0.012 0.000 0.237 351 R C 2.041 178.219 176.300 -0.204 0.000 1.137 351 R CA 1.680 57.626 56.100 -0.256 0.000 0.951 351 R CB -0.189 29.898 30.300 -0.355 0.000 0.851 351 R HN 0.196 nan 8.270 nan 0.000 0.434 352 V N 1.364 121.154 119.914 -0.208 0.000 2.244 352 V HA -0.252 3.861 4.120 -0.012 0.000 0.244 352 V C 2.447 178.368 176.094 -0.288 0.000 1.042 352 V CA 1.809 63.983 62.300 -0.210 0.000 1.006 352 V CB -0.438 31.254 31.823 -0.219 0.000 0.641 352 V HN 0.345 nan 8.190 nan 0.000 0.446 353 L N -0.542 120.440 121.223 -0.402 0.000 2.042 353 L HA -0.192 4.141 4.340 -0.012 0.000 0.210 353 L C 2.406 179.083 176.870 -0.322 0.000 1.076 353 L CA 1.347 55.889 54.840 -0.497 0.000 0.749 353 L CB -0.683 41.042 42.059 -0.556 0.000 0.893 353 L HN 0.214 nan 8.230 nan 0.000 0.432 354 V N -0.582 119.180 119.914 -0.253 0.000 2.273 354 V HA -0.201 3.912 4.120 -0.012 0.000 0.242 354 V C 2.022 178.063 176.094 -0.088 0.000 1.035 354 V CA 1.775 63.988 62.300 -0.146 0.000 1.013 354 V CB -0.339 31.415 31.823 -0.115 0.000 0.652 354 V HN 0.356 nan 8.190 nan 0.000 0.452 355 D N -0.168 120.176 120.400 -0.093 0.000 2.149 355 D HA -0.041 4.592 4.640 -0.012 0.000 0.201 355 D C 2.017 178.284 176.300 -0.054 0.000 0.972 355 D CA 1.204 55.169 54.000 -0.058 0.000 0.835 355 D CB 0.060 40.822 40.800 -0.063 0.000 0.966 355 D HN 0.330 nan 8.370 nan 0.000 0.476 356 L N 0.184 121.358 121.223 -0.082 0.000 2.262 356 L HA 0.097 4.430 4.340 -0.012 0.000 0.197 356 L C 1.951 178.784 176.870 -0.061 0.000 1.073 356 L CA 0.438 55.240 54.840 -0.063 0.000 0.800 356 L CB -0.150 41.868 42.059 -0.067 0.000 0.987 356 L HN -0.180 nan 8.230 nan 0.000 0.470 357 E N 0.852 120.981 120.200 -0.118 0.000 2.427 357 E HA -0.019 4.324 4.350 -0.012 0.000 0.196 357 E C 0.094 176.656 176.600 -0.062 0.000 1.028 357 E CA 0.036 56.377 56.400 -0.098 0.000 0.864 357 E CB 0.150 29.689 29.700 -0.269 0.000 0.813 357 E HN 0.270 nan 8.360 nan 0.000 0.514 358 R N -0.085 120.371 120.500 -0.073 0.000 3.418 358 R HA -0.187 4.146 4.340 -0.012 0.000 0.274 358 R C -0.454 175.830 176.300 -0.027 0.000 1.108 358 R CA 0.239 56.319 56.100 -0.033 0.000 0.741 358 R CB -2.524 27.776 30.300 0.001 0.000 1.223 358 R HN 0.052 nan 8.270 nan 0.000 0.434 359 L N 1.675 122.854 121.223 -0.074 0.000 2.439 359 L HA 0.201 4.534 4.340 -0.012 0.000 0.259 359 L C 1.284 178.147 176.870 -0.013 0.000 1.129 359 L CA 0.078 54.887 54.840 -0.051 0.000 0.803 359 L CB 0.449 42.433 42.059 -0.125 0.000 1.161 359 L HN 0.137 nan 8.230 nan 0.000 0.462 360 D N 0.002 120.419 120.400 0.028 0.000 2.339 360 D HA -0.113 4.520 4.640 -0.012 0.000 0.245 360 D C 0.961 177.327 176.300 0.110 0.000 1.115 360 D CA -0.532 53.519 54.000 0.086 0.000 0.917 360 D CB 0.752 41.609 40.800 0.095 0.000 1.192 360 D HN 0.597 nan 8.370 nan 0.000 0.428 361 W N 2.419 123.723 121.300 0.007 0.000 2.290 361 W HA -0.261 4.392 4.660 -0.012 0.000 0.328 361 W C 1.131 177.698 176.519 0.079 0.000 1.272 361 W CA 2.043 59.400 57.345 0.020 0.000 1.262 361 W CB -0.292 29.160 29.460 -0.013 0.000 1.151 361 W HN 0.507 nan 8.180 nan 0.000 0.473 362 D N 0.013 120.618 120.400 0.343 0.000 2.149 362 D HA -0.195 4.438 4.640 -0.012 0.000 0.198 362 D C 2.051 178.453 176.300 0.169 0.000 0.990 362 D CA 1.305 55.476 54.000 0.285 0.000 0.839 362 D CB -0.362 40.582 40.800 0.240 0.000 0.948 362 D HN 0.122 nan 8.370 nan 0.000 0.460 363 K N 0.988 121.445 120.400 0.096 0.000 2.062 363 K HA 0.014 4.327 4.320 -0.012 0.000 0.205 363 K C 1.995 178.586 176.600 -0.015 0.000 1.051 363 K CA 0.773 57.090 56.287 0.050 0.000 0.941 363 K CB -0.193 32.333 32.500 0.042 0.000 0.719 363 K HN 0.008 nan 8.250 nan 0.000 0.440 364 A N 0.971 123.739 122.820 -0.087 0.000 1.877 364 A HA -0.196 4.117 4.320 -0.012 0.000 0.216 364 A C 2.135 179.618 177.584 -0.169 0.000 1.186 364 A CA 1.345 53.258 52.037 -0.206 0.000 0.620 364 A CB -1.097 17.706 19.000 -0.328 0.000 0.822 364 A HN 0.643 nan 8.150 nan 0.000 0.443 365 W N 0.657 121.742 121.300 -0.358 0.000 2.358 365 W HA -0.175 4.478 4.660 -0.011 0.000 0.303 365 W C 2.007 178.467 176.519 -0.098 0.000 1.208 365 W CA 1.877 59.068 57.345 -0.258 0.000 1.274 365 W CB -0.124 29.234 29.460 -0.170 0.000 1.138 365 W HN 0.600 nan 8.180 nan 0.000 0.515 366 E N 0.064 120.254 120.200 -0.016 0.000 2.085 366 E HA -0.222 4.121 4.350 -0.012 0.000 0.194 366 E C 2.047 178.566 176.600 -0.135 0.000 0.994 366 E CA 1.801 58.155 56.400 -0.077 0.000 0.801 366 E CB -0.261 29.456 29.700 0.027 0.000 0.743 366 E HN 0.075 nan 8.360 nan 0.000 0.453 367 V N 0.554 120.405 119.914 -0.105 0.000 2.295 367 V HA -0.242 3.871 4.120 -0.012 0.000 0.246 367 V C 2.394 178.423 176.094 -0.109 0.000 1.049 367 V CA 2.167 64.426 62.300 -0.068 0.000 1.024 367 V CB -0.681 31.098 31.823 -0.074 0.000 0.648 367 V HN 0.361 nan 8.190 nan 0.000 0.447 368 T N -0.023 114.392 114.554 -0.231 0.000 2.746 368 T HA -0.158 4.185 4.350 -0.012 0.000 0.267 368 T C 1.920 176.422 174.700 -0.330 0.000 1.039 368 T CA 1.673 63.610 62.100 -0.272 0.000 1.142 368 T CB -0.199 68.458 68.868 -0.351 0.000 0.866 368 T HN 0.285 nan 8.240 nan 0.000 0.444 369 V N 1.093 120.689 119.914 -0.531 0.000 2.427 369 V HA -0.110 4.003 4.120 -0.012 0.000 0.248 369 V C 2.340 178.364 176.094 -0.117 0.000 1.051 369 V CA 1.499 63.539 62.300 -0.434 0.000 1.048 369 V CB -0.433 31.056 31.823 -0.557 0.000 0.666 369 V HN 0.408 nan 8.190 nan 0.000 0.456 370 K N -0.190 120.131 120.400 -0.131 0.000 2.365 370 K HA -0.089 4.224 4.320 -0.012 0.000 0.199 370 K C 2.146 178.706 176.600 -0.067 0.000 1.045 370 K CA 1.472 57.680 56.287 -0.131 0.000 0.962 370 K CB -0.076 32.348 32.500 -0.126 0.000 0.759 370 K HN 0.635 nan 8.250 nan 0.000 0.469 371 T N -2.135 112.434 114.554 0.024 0.000 3.014 371 T HA 0.106 4.449 4.350 -0.012 0.000 0.250 371 T C 0.569 175.356 174.700 0.145 0.000 1.060 371 T CA -0.336 61.804 62.100 0.066 0.000 1.040 371 T CB 0.009 68.902 68.868 0.042 0.000 0.971 371 T HN -0.006 nan 8.240 nan 0.000 0.497 372 C N 2.628 122.004 119.300 0.127 0.000 2.365 372 C HA 0.924 5.377 4.460 -0.012 0.000 0.351 372 C C 0.546 175.581 174.990 0.074 0.000 1.240 372 C CA -0.801 58.270 59.018 0.088 0.000 2.062 372 C CB 0.193 27.927 27.740 -0.010 0.000 2.387 372 C HN 0.745 nan 8.230 nan 0.000 0.537 373 A N 2.325 125.184 122.820 0.066 0.000 2.449 373 A HA 0.753 5.066 4.320 -0.012 0.000 0.302 373 A C -1.579 176.072 177.584 0.111 0.000 1.048 373 A CA -0.371 51.654 52.037 -0.019 0.000 0.708 373 A CB 1.084 20.087 19.000 0.004 0.000 1.274 373 A HN 0.893 nan 8.150 nan 0.000 0.410 374 Y N 1.007 121.248 120.300 -0.099 0.000 2.409 374 Y HA 0.712 5.255 4.550 -0.011 0.000 0.343 374 Y C -0.530 175.342 175.900 -0.046 0.000 0.973 374 Y CA -0.639 57.417 58.100 -0.073 0.000 1.064 374 Y CB 2.106 40.481 38.460 -0.142 0.000 1.207 374 Y HN 0.545 nan 8.280 nan 0.000 0.452 375 T N 6.861 121.242 114.554 -0.288 0.000 2.786 375 T HA 0.244 4.587 4.350 -0.012 0.000 0.283 375 T C -0.816 173.436 174.700 -0.746 0.000 0.992 375 T CA -0.838 61.006 62.100 -0.427 0.000 0.954 375 T CB 0.344 69.192 68.868 -0.033 0.000 0.934 375 T HN 0.675 nan 8.240 nan 0.000 0.440 376 N N 1.712 119.943 118.700 -0.780 0.000 2.498 376 N HA 0.148 4.881 4.740 -0.012 0.000 0.287 376 N C 0.067 175.414 175.510 -0.272 0.000 1.097 376 N CA -0.320 52.488 53.050 -0.403 0.000 0.973 376 N CB 0.817 39.223 38.487 -0.135 0.000 1.153 376 N HN 0.669 nan 8.380 nan 0.000 0.472 377 H N 0.801 119.901 119.070 0.051 0.000 2.893 377 H HA 0.160 4.709 4.556 -0.012 0.000 0.270 377 H C -0.123 175.119 175.328 -0.143 0.000 1.095 377 H CA 0.020 56.045 56.048 -0.038 0.000 1.186 377 H CB 1.169 30.916 29.762 -0.026 0.000 1.562 377 H HN 0.545 nan 8.280 nan 0.000 0.536 378 T N 0.078 114.653 114.554 0.037 0.000 2.786 378 T HA 0.264 4.607 4.350 -0.012 0.000 0.316 378 T C 0.310 175.026 174.700 0.026 0.000 1.503 378 T CA -0.279 61.789 62.100 -0.053 0.000 1.019 378 T CB 1.328 70.157 68.868 -0.066 0.000 1.415 378 T HN -0.060 nan 8.240 nan 0.000 0.496 379 V N 1.191 121.079 119.914 -0.045 0.000 3.477 379 V HA 0.504 4.617 4.120 -0.012 0.000 0.297 379 V C 0.843 176.891 176.094 -0.076 0.000 1.433 379 V CA 0.010 62.280 62.300 -0.050 0.000 1.052 379 V CB -0.690 31.113 31.823 -0.034 0.000 0.895 379 V HN 0.793 nan 8.190 nan 0.000 0.438 380 I N -0.337 120.174 120.570 -0.099 0.000 2.496 380 I HA 0.350 4.513 4.170 -0.012 0.000 0.285 380 I C -0.718 175.379 176.117 -0.034 0.000 1.080 380 I CA -1.776 59.487 61.300 -0.062 0.000 1.404 380 I CB 0.660 38.608 38.000 -0.088 0.000 1.403 380 I HN -0.063 nan 8.210 nan 0.000 0.539 381 P HA -0.254 nan 4.420 nan 0.000 0.216 381 P C 1.103 178.382 177.300 -0.034 0.000 1.150 381 P CA 1.623 64.708 63.100 -0.025 0.000 0.843 381 P CB -0.097 31.596 31.700 -0.011 0.000 0.787 382 E N 0.238 120.436 120.200 -0.003 0.000 2.418 382 E HA -0.047 4.296 4.350 -0.012 0.000 0.197 382 E C 1.557 178.087 176.600 -0.115 0.000 1.026 382 E CA 1.041 57.409 56.400 -0.052 0.000 0.862 382 E CB -0.631 29.125 29.700 0.093 0.000 0.799 382 E HN 0.212 nan 8.360 nan 0.000 0.518 383 A N 1.009 123.809 122.820 -0.033 0.000 2.267 383 A HA 0.213 4.527 4.320 -0.012 0.000 0.213 383 A C 1.091 178.646 177.584 -0.049 0.000 1.192 383 A CA -0.319 51.718 52.037 0.001 0.000 0.851 383 A CB 0.147 19.166 19.000 0.032 0.000 0.881 383 A HN 0.141 nan 8.150 nan 0.000 0.494 384 L N 1.563 122.715 121.223 -0.118 0.000 2.367 384 L HA 0.173 4.506 4.340 -0.012 0.000 0.275 384 L C -0.047 176.489 176.870 -0.556 0.000 1.129 384 L CA 0.399 55.111 54.840 -0.214 0.000 0.839 384 L CB 0.574 42.539 42.059 -0.156 0.000 1.133 384 L HN 0.382 nan 8.230 nan 0.000 0.453 385 E N 4.672 124.444 120.200 -0.714 0.000 2.105 385 E HA 0.209 4.552 4.350 -0.012 0.000 0.285 385 E C -0.540 175.443 176.600 -1.028 0.000 1.055 385 E CA -0.235 55.299 56.400 -1.443 0.000 0.843 385 E CB 0.683 29.878 29.700 -0.841 0.000 1.067 385 E HN 0.361 nan 8.360 nan 0.000 0.398 386 R N 3.775 123.584 120.500 -1.151 0.000 2.407 386 R HA 0.207 4.540 4.340 -0.012 0.000 0.298 386 R C -1.201 174.964 176.300 -0.224 0.000 1.166 386 R CA -0.565 55.275 56.100 -0.433 0.000 1.006 386 R CB 0.880 31.048 30.300 -0.220 0.000 1.145 386 R HN 0.418 nan 8.270 nan 0.000 0.538 387 W N 4.681 125.949 121.300 -0.053 0.000 2.322 387 W HA 0.264 4.917 4.660 -0.012 0.000 0.307 387 W C -1.897 174.609 176.519 -0.022 0.000 1.220 387 W CA -2.190 55.182 57.345 0.045 0.000 1.210 387 W CB 0.830 30.286 29.460 -0.006 0.000 1.223 387 W HN 0.258 nan 8.180 nan 0.000 0.511 388 P HA -0.096 nan 4.420 nan 0.000 0.264 388 P C 0.801 178.066 177.300 -0.058 0.000 1.193 388 P CA 0.245 63.357 63.100 0.021 0.000 0.763 388 P CB 0.750 32.346 31.700 -0.173 0.000 0.810 389 V N 3.449 123.379 119.914 0.027 0.000 2.392 389 V HA -0.290 3.823 4.120 -0.012 0.000 0.249 389 V C 2.140 178.246 176.094 0.020 0.000 1.059 389 V CA 2.554 64.874 62.300 0.033 0.000 1.051 389 V CB -1.766 30.133 31.823 0.126 0.000 0.658 389 V HN 0.763 nan 8.190 nan 0.000 0.455 390 H N -1.094 118.029 119.070 0.088 0.000 2.489 390 H HA -0.114 4.435 4.556 -0.012 0.000 0.295 390 H C 2.023 177.392 175.328 0.068 0.000 1.082 390 H CA 1.701 57.795 56.048 0.077 0.000 1.295 390 H CB -0.479 29.330 29.762 0.079 0.000 1.380 390 H HN 0.381 nan 8.280 nan 0.000 0.548 391 L N -0.137 120.908 121.223 -0.297 0.000 2.068 391 L HA -0.040 4.293 4.340 -0.012 0.000 0.204 391 L C 2.381 179.180 176.870 -0.119 0.000 1.076 391 L CA 0.765 55.514 54.840 -0.152 0.000 0.753 391 L CB -0.182 41.776 42.059 -0.168 0.000 0.910 391 L HN 0.327 nan 8.230 nan 0.000 0.439 392 L N -0.456 120.678 121.223 -0.148 0.000 2.083 392 L HA -0.250 4.083 4.340 -0.012 0.000 0.209 392 L C 2.511 179.302 176.870 -0.131 0.000 1.083 392 L CA 1.226 55.954 54.840 -0.187 0.000 0.752 392 L CB -0.366 41.579 42.059 -0.191 0.000 0.899 392 L HN 0.356 nan 8.230 nan 0.000 0.433 393 E N -0.584 119.584 120.200 -0.052 0.000 2.085 393 E HA -0.219 4.124 4.350 -0.012 0.000 0.194 393 E C 1.880 178.504 176.600 0.041 0.000 0.994 393 E CA 1.832 58.236 56.400 0.006 0.000 0.801 393 E CB 0.160 29.906 29.700 0.076 0.000 0.743 393 E HN 0.396 nan 8.360 nan 0.000 0.453 394 T N 0.549 115.146 114.554 0.072 0.000 2.894 394 T HA -0.046 4.297 4.350 -0.012 0.000 0.258 394 T C 1.643 176.441 174.700 0.162 0.000 1.043 394 T CA 0.538 62.729 62.100 0.151 0.000 1.141 394 T CB -0.031 68.956 68.868 0.197 0.000 0.873 394 T HN 0.060 nan 8.240 nan 0.000 0.449 395 L N 0.135 121.353 121.223 -0.008 0.000 2.127 395 L HA 0.377 4.710 4.340 -0.012 0.000 0.203 395 L C 0.242 177.025 176.870 -0.145 0.000 1.080 395 L CA 1.535 56.250 54.840 -0.208 0.000 0.768 395 L CB 0.096 41.993 42.059 -0.269 0.000 0.924 395 L HN 0.153 nan 8.230 nan 0.000 0.444 396 L N 0.725 121.820 121.223 -0.214 0.000 2.502 396 L HA 0.305 4.638 4.340 -0.012 0.000 0.249 396 L C -1.687 174.979 176.870 -0.340 0.000 1.446 396 L CA -1.065 53.546 54.840 -0.382 0.000 0.887 396 L CB 0.912 42.555 42.059 -0.694 0.000 1.126 396 L HN -0.071 nan 8.230 nan 0.000 0.509 397 P HA -0.222 nan 4.420 nan 0.000 0.216 397 P C 1.488 178.596 177.300 -0.320 0.000 1.153 397 P CA 1.322 64.295 63.100 -0.212 0.000 0.858 397 P CB 0.338 31.993 31.700 -0.075 0.000 0.789 398 R N -0.745 119.391 120.500 -0.607 0.000 2.115 398 R HA -0.118 4.215 4.340 -0.012 0.000 0.226 398 R C 2.276 178.299 176.300 -0.462 0.000 1.100 398 R CA 1.314 57.086 56.100 -0.547 0.000 0.980 398 R CB -1.116 28.728 30.300 -0.759 0.000 0.875 398 R HN 0.214 nan 8.270 nan 0.000 0.445 399 H N -0.303 118.450 119.070 -0.527 0.000 2.423 399 H HA -0.025 4.524 4.556 -0.012 0.000 0.297 399 H C 1.715 176.867 175.328 -0.294 0.000 1.075 399 H CA 1.511 57.333 56.048 -0.376 0.000 1.342 399 H CB 0.008 29.510 29.762 -0.434 0.000 1.395 399 H HN 0.100 nan 8.280 nan 0.000 0.530 400 L N 0.404 121.501 121.223 -0.210 0.000 2.056 400 L HA -0.223 4.110 4.340 -0.012 0.000 0.207 400 L C 1.790 178.463 176.870 -0.330 0.000 1.078 400 L CA 1.560 56.204 54.840 -0.326 0.000 0.749 400 L CB -0.256 41.625 42.059 -0.296 0.000 0.901 400 L HN 0.417 nan 8.230 nan 0.000 0.433 401 Q N -0.286 119.433 119.800 -0.136 0.000 2.084 401 Q HA -0.231 4.102 4.340 -0.012 0.000 0.202 401 Q C 2.199 178.217 176.000 0.029 0.000 0.978 401 Q CA 1.653 57.469 55.803 0.021 0.000 0.844 401 Q CB -0.059 28.697 28.738 0.030 0.000 0.898 401 Q HN 0.534 nan 8.270 nan 0.000 0.426 402 I N 0.418 120.984 120.570 -0.007 0.000 2.226 402 I HA -0.290 3.873 4.170 -0.012 0.000 0.245 402 I C 2.113 178.301 176.117 0.118 0.000 1.100 402 I CA 1.093 62.468 61.300 0.125 0.000 1.374 402 I CB -0.128 37.886 38.000 0.023 0.000 1.057 402 I HN 0.219 nan 8.210 nan 0.000 0.413 403 I N -0.602 119.959 120.570 -0.015 0.000 2.286 403 I HA -0.317 3.846 4.170 -0.012 0.000 0.248 403 I C 2.332 178.464 176.117 0.025 0.000 1.115 403 I CA 1.363 62.643 61.300 -0.032 0.000 1.392 403 I CB -0.371 37.540 38.000 -0.150 0.000 1.065 403 I HN 0.176 nan 8.210 nan 0.000 0.418 404 Y N 0.836 121.139 120.300 0.004 0.000 2.242 404 Y HA -0.247 4.296 4.550 -0.012 0.000 0.291 404 Y C 2.585 178.448 175.900 -0.062 0.000 1.137 404 Y CA 1.482 59.571 58.100 -0.018 0.000 1.181 404 Y CB -0.669 37.773 38.460 -0.030 0.000 0.989 404 Y HN 0.221 nan 8.280 nan 0.000 0.527 405 E N 0.310 120.546 120.200 0.061 0.000 2.152 405 E HA -0.116 4.227 4.350 -0.012 0.000 0.192 405 E C 1.973 178.475 176.600 -0.163 0.000 0.983 405 E CA 1.113 57.407 56.400 -0.177 0.000 0.818 405 E CB -0.525 28.914 29.700 -0.434 0.000 0.758 405 E HN 0.478 nan 8.360 nan 0.000 0.467 406 I N 0.558 121.132 120.570 0.007 0.000 2.252 406 I HA -0.219 3.944 4.170 -0.012 0.000 0.245 406 I C 2.223 178.337 176.117 -0.004 0.000 1.102 406 I CA 1.169 62.436 61.300 -0.055 0.000 1.385 406 I CB -0.306 37.676 38.000 -0.030 0.000 1.064 406 I HN 0.205 nan 8.210 nan 0.000 0.414 407 N N 0.735 119.486 118.700 0.085 0.000 2.084 407 N HA -0.256 4.478 4.740 -0.012 0.000 0.190 407 N C 1.869 177.461 175.510 0.136 0.000 1.030 407 N CA 1.581 54.736 53.050 0.175 0.000 0.849 407 N CB -0.100 38.508 38.487 0.201 0.000 1.012 407 N HN 0.245 nan 8.380 nan 0.000 0.423 408 Q N -0.170 119.655 119.800 0.040 0.000 2.045 408 Q HA -0.150 4.183 4.340 -0.012 0.000 0.206 408 Q C 2.003 177.979 176.000 -0.041 0.000 0.991 408 Q CA 1.808 57.595 55.803 -0.026 0.000 0.851 408 Q CB -0.008 28.671 28.738 -0.098 0.000 0.911 408 Q HN 0.423 nan 8.270 nan 0.000 0.418 409 R N -0.903 119.551 120.500 -0.078 0.000 2.148 409 R HA -0.101 4.232 4.340 -0.012 0.000 0.223 409 R C 2.102 178.422 176.300 0.033 0.000 1.088 409 R CA 0.982 57.037 56.100 -0.076 0.000 0.985 409 R CB -0.306 29.893 30.300 -0.168 0.000 0.880 409 R HN 0.256 nan 8.270 nan 0.000 0.451 410 F N 1.740 121.656 119.950 -0.057 0.000 2.128 410 F HA -0.052 4.468 4.527 -0.012 0.000 0.295 410 F C 1.878 177.697 175.800 0.031 0.000 1.100 410 F CA 1.191 59.206 58.000 0.024 0.000 1.260 410 F CB -0.294 38.751 39.000 0.075 0.000 1.009 410 F HN -0.149 nan 8.300 nan 0.000 0.476 411 L N 0.217 121.402 121.223 -0.064 0.000 2.127 411 L HA -0.267 4.066 4.340 -0.012 0.000 0.211 411 L C 1.965 178.742 176.870 -0.155 0.000 1.089 411 L CA 1.740 56.480 54.840 -0.166 0.000 0.757 411 L CB -0.898 41.147 42.059 -0.023 0.000 0.899 411 L HN 0.289 nan 8.230 nan 0.000 0.434 412 N N -0.455 118.184 118.700 -0.101 0.000 2.309 412 N HA -0.161 4.572 4.740 -0.012 0.000 0.182 412 N C 1.920 177.372 175.510 -0.096 0.000 1.018 412 N CA 0.529 53.529 53.050 -0.083 0.000 0.876 412 N CB 0.043 38.491 38.487 -0.065 0.000 0.972 412 N HN 0.237 nan 8.380 nan 0.000 0.434 413 R N 0.473 120.897 120.500 -0.127 0.000 2.090 413 R HA -0.018 4.315 4.340 -0.012 0.000 0.228 413 R C 2.038 178.243 176.300 -0.159 0.000 1.110 413 R CA 0.697 56.728 56.100 -0.116 0.000 0.973 413 R CB -0.033 30.217 30.300 -0.084 0.000 0.869 413 R HN 0.039 nan 8.270 nan 0.000 0.440 414 V N 0.514 120.278 119.914 -0.250 0.000 2.270 414 V HA -0.212 3.901 4.120 -0.012 0.000 0.245 414 V C 2.343 178.431 176.094 -0.010 0.000 1.043 414 V CA 1.967 64.185 62.300 -0.137 0.000 1.014 414 V CB -0.756 30.902 31.823 -0.275 0.000 0.645 414 V HN 0.436 nan 8.190 nan 0.000 0.447 415 A N 0.085 122.872 122.820 -0.056 0.000 1.948 415 A HA -0.169 4.144 4.320 -0.012 0.000 0.220 415 A C 2.352 179.910 177.584 -0.042 0.000 1.177 415 A CA 2.251 54.272 52.037 -0.027 0.000 0.636 415 A CB -0.738 18.236 19.000 -0.043 0.000 0.815 415 A HN 0.609 nan 8.150 nan 0.000 0.449 416 A N -0.771 122.005 122.820 -0.074 0.000 2.014 416 A HA 0.314 4.627 4.320 -0.012 0.000 0.218 416 A C 2.341 179.833 177.584 -0.153 0.000 1.163 416 A CA 1.693 53.675 52.037 -0.091 0.000 0.652 416 A CB -0.600 18.352 19.000 -0.080 0.000 0.808 416 A HN 0.949 nan 8.150 nan 0.000 0.449 417 A N -1.360 121.324 122.820 -0.226 0.000 1.943 417 A HA 0.397 4.710 4.320 -0.012 0.000 0.213 417 A C 0.463 177.592 177.584 -0.759 0.000 1.181 417 A CA 0.472 52.195 52.037 -0.522 0.000 0.653 417 A CB -0.111 18.490 19.000 -0.665 0.000 0.833 417 A HN 0.410 nan 8.150 nan 0.000 0.451 418 F N 0.412 120.313 119.950 -0.083 0.000 2.449 418 F HA 0.356 4.875 4.527 -0.012 0.000 0.329 418 F C -2.713 173.047 175.800 -0.066 0.000 1.245 418 F CA -2.909 55.047 58.000 -0.073 0.000 1.193 418 F CB 0.652 39.599 39.000 -0.087 0.000 1.425 418 F HN -0.055 nan 8.300 nan 0.000 0.544 419 P HA 0.130 nan 4.420 nan 0.000 0.261 419 P C 1.056 178.373 177.300 0.028 0.000 1.183 419 P CA 1.173 64.281 63.100 0.013 0.000 0.761 419 P CB 0.774 32.464 31.700 -0.016 0.000 0.785 420 G N 2.858 111.668 108.800 0.016 0.000 2.267 420 G HA2 -0.264 3.689 3.960 -0.012 0.000 0.257 420 G HA3 -0.264 3.689 3.960 -0.012 0.000 0.257 420 G C 0.422 175.329 174.900 0.012 0.000 0.998 420 G CA 0.077 45.183 45.100 0.010 0.000 0.620 420 G HN 0.596 nan 8.290 nan 0.000 0.529 421 D N 1.144 121.561 120.400 0.029 0.000 2.541 421 D HA 0.345 4.978 4.640 -0.012 0.000 0.231 421 D C 1.580 177.867 176.300 -0.020 0.000 1.163 421 D CA 0.515 54.518 54.000 0.004 0.000 1.077 421 D CB 0.583 41.386 40.800 0.005 0.000 1.110 421 D HN 0.150 nan 8.370 nan 0.000 0.499 422 V N 2.890 122.794 119.914 -0.018 0.000 2.626 422 V HA -0.189 3.924 4.120 -0.012 0.000 0.252 422 V C 1.660 177.738 176.094 -0.027 0.000 1.067 422 V CA 1.749 64.036 62.300 -0.020 0.000 1.081 422 V CB 0.030 31.845 31.823 -0.013 0.000 0.686 422 V HN 0.377 nan 8.190 nan 0.000 0.468 423 D N -0.531 119.849 120.400 -0.034 0.000 2.234 423 D HA -0.144 4.489 4.640 -0.012 0.000 0.205 423 D C 2.309 178.576 176.300 -0.055 0.000 0.962 423 D CA 0.908 54.888 54.000 -0.033 0.000 0.855 423 D CB -0.128 40.653 40.800 -0.031 0.000 0.951 423 D HN 0.388 nan 8.370 nan 0.000 0.500 424 R N -0.294 120.148 120.500 -0.096 0.000 2.092 424 R HA -0.103 4.230 4.340 -0.012 0.000 0.231 424 R C 1.774 177.992 176.300 -0.136 0.000 1.119 424 R CA 0.745 56.748 56.100 -0.162 0.000 0.970 424 R CB -0.222 29.919 30.300 -0.265 0.000 0.864 424 R HN 0.147 nan 8.270 nan 0.000 0.440 425 L N 1.497 122.667 121.223 -0.089 0.000 2.012 425 L HA -0.180 4.153 4.340 -0.012 0.000 0.210 425 L C 2.552 179.413 176.870 -0.015 0.000 1.073 425 L CA 2.131 56.934 54.840 -0.062 0.000 0.748 425 L CB -0.746 41.290 42.059 -0.039 0.000 0.891 425 L HN 0.299 nan 8.230 nan 0.000 0.431 426 R N -1.253 119.249 120.500 0.003 0.000 2.115 426 R HA -0.068 4.265 4.340 -0.012 0.000 0.226 426 R C 2.207 178.555 176.300 0.079 0.000 1.100 426 R CA 1.033 57.159 56.100 0.044 0.000 0.980 426 R CB -0.650 29.671 30.300 0.036 0.000 0.875 426 R HN 0.155 nan 8.270 nan 0.000 0.445 427 R N 0.191 120.719 120.500 0.047 0.000 2.092 427 R HA 0.070 4.403 4.340 -0.012 0.000 0.231 427 R C 2.022 178.406 176.300 0.140 0.000 1.119 427 R CA 1.858 58.011 56.100 0.088 0.000 0.970 427 R CB -0.169 30.142 30.300 0.017 0.000 0.864 427 R HN 0.331 nan 8.270 nan 0.000 0.440 428 M N -0.086 119.515 119.600 0.003 0.000 2.541 428 M HA 0.027 4.500 4.480 -0.012 0.000 0.252 428 M C 0.809 177.255 176.300 0.243 0.000 1.125 428 M CA 0.024 55.276 55.300 -0.081 0.000 1.091 428 M CB 0.469 32.854 32.600 -0.358 0.000 1.420 428 M HN -0.092 nan 8.290 nan 0.000 0.486 429 S N 1.035 116.892 115.700 0.262 0.000 2.558 429 S HA 0.024 4.487 4.470 -0.012 0.000 0.291 429 S C 1.155 176.029 174.600 0.457 0.000 1.306 429 S CA -0.162 58.229 58.200 0.318 0.000 1.056 429 S CB 0.495 63.823 63.200 0.213 0.000 0.836 429 S HN 0.350 nan 8.310 nan 0.000 0.504 430 L N 4.203 125.649 121.223 0.373 0.000 2.395 430 L HA 0.100 4.433 4.340 -0.012 0.000 0.218 430 L C 0.260 177.252 176.870 0.203 0.000 1.130 430 L CA 0.354 55.373 54.840 0.299 0.000 0.826 430 L CB -0.386 41.788 42.059 0.191 0.000 0.941 430 L HN 0.392 nan 8.230 nan 0.000 0.451 431 V N 0.754 120.798 119.914 0.217 0.000 2.370 431 V HA 0.188 4.301 4.120 -0.012 0.000 0.279 431 V C 0.042 176.231 176.094 0.158 0.000 1.029 431 V CA -0.588 61.824 62.300 0.187 0.000 0.870 431 V CB 1.530 33.497 31.823 0.240 0.000 0.984 431 V HN 0.164 nan 8.190 nan 0.000 0.451 432 E N 3.242 123.515 120.200 0.122 0.000 2.134 432 E HA 0.395 4.738 4.350 -0.012 0.000 0.278 432 E C -0.682 175.974 176.600 0.092 0.000 0.959 432 E CA -0.522 55.938 56.400 0.100 0.000 0.783 432 E CB 1.858 31.599 29.700 0.067 0.000 1.095 432 E HN 0.609 nan 8.360 nan 0.000 0.399 433 E N 1.096 121.346 120.200 0.083 0.000 2.318 433 E HA 0.623 4.966 4.350 -0.012 0.000 0.265 433 E C 0.154 176.790 176.600 0.061 0.000 1.069 433 E CA 0.331 56.774 56.400 0.071 0.000 0.893 433 E CB 1.492 31.227 29.700 0.059 0.000 1.076 433 E HN 0.645 nan 8.360 nan 0.000 0.414 434 G N 0.235 109.069 108.800 0.057 0.000 2.334 434 G HA2 0.247 4.200 3.960 -0.012 0.000 0.249 434 G HA3 0.247 4.200 3.960 -0.012 0.000 0.249 434 G C 0.520 175.451 174.900 0.051 0.000 1.327 434 G CA 0.292 45.422 45.100 0.049 0.000 0.979 434 G HN 0.642 nan 8.290 nan 0.000 0.471 435 A N -0.847 122.001 122.820 0.047 0.000 1.883 435 A HA 0.222 4.535 4.320 -0.012 0.000 0.222 435 A C 1.824 179.445 177.584 0.062 0.000 1.339 435 A CA 4.589 56.655 52.037 0.047 0.000 0.692 435 A CB -1.302 17.726 19.000 0.046 0.000 0.845 435 A HN 2.422 nan 8.150 nan 0.000 0.467 436 V N -2.924 117.039 119.914 0.082 0.000 2.769 436 V HA 0.589 4.702 4.120 -0.012 0.000 0.312 436 V C -0.599 175.566 176.094 0.119 0.000 1.061 436 V CA -1.340 61.030 62.300 0.118 0.000 0.931 436 V CB 1.760 33.684 31.823 0.168 0.000 1.010 436 V HN 0.407 nan 8.190 nan 0.000 0.433 437 K N 4.035 124.516 120.400 0.135 0.000 2.350 437 K HA 0.531 4.844 4.320 -0.012 0.000 0.279 437 K C -0.450 176.228 176.600 0.129 0.000 1.027 437 K CA -0.283 56.082 56.287 0.129 0.000 0.969 437 K CB 1.131 33.719 32.500 0.147 0.000 0.954 437 K HN 0.720 nan 8.250 nan 0.000 0.474 438 R N 1.254 121.818 120.500 0.106 0.000 2.888 438 R HA 0.513 4.846 4.340 -0.012 0.000 0.264 438 R C -0.647 175.699 176.300 0.077 0.000 1.045 438 R CA -1.000 55.153 56.100 0.089 0.000 0.962 438 R CB 1.309 31.645 30.300 0.059 0.000 1.210 438 R HN 0.382 nan 8.270 nan 0.000 0.479 439 I N 1.671 122.281 120.570 0.066 0.000 2.378 439 I HA 0.190 4.353 4.170 -0.012 0.000 0.291 439 I C -0.413 175.695 176.117 -0.015 0.000 0.992 439 I CA -0.752 60.572 61.300 0.041 0.000 1.154 439 I CB 1.466 39.486 38.000 0.033 0.000 1.315 439 I HN 0.506 nan 8.210 nan 0.000 0.448 440 N N 6.995 125.657 118.700 -0.062 0.000 2.439 440 N HA 0.096 4.830 4.740 -0.012 0.000 0.243 440 N C 0.889 176.297 175.510 -0.169 0.000 1.088 440 N CA -0.366 52.562 53.050 -0.204 0.000 0.940 440 N CB 0.904 39.125 38.487 -0.442 0.000 1.180 440 N HN 0.385 nan 8.380 nan 0.000 0.505 441 M N 2.115 121.619 119.600 -0.159 0.000 2.267 441 M HA -0.108 4.365 4.480 -0.012 0.000 0.263 441 M C 1.912 178.066 176.300 -0.244 0.000 1.063 441 M CA 0.836 56.054 55.300 -0.137 0.000 1.090 441 M CB -1.511 31.043 32.600 -0.076 0.000 1.392 441 M HN 0.581 nan 8.290 nan 0.000 0.422 442 A N -0.810 121.855 122.820 -0.258 0.000 1.929 442 A HA -0.152 4.161 4.320 -0.012 0.000 0.216 442 A C 1.971 179.346 177.584 -0.349 0.000 1.176 442 A CA 1.306 53.154 52.037 -0.315 0.000 0.628 442 A CB -1.082 17.911 19.000 -0.011 0.000 0.816 442 A HN 0.600 nan 8.150 nan 0.000 0.444 443 H N -1.044 117.827 119.070 -0.331 0.000 2.423 443 H HA -0.008 4.541 4.556 -0.012 0.000 0.297 443 H C 2.075 177.204 175.328 -0.332 0.000 1.075 443 H CA 0.838 56.655 56.048 -0.385 0.000 1.342 443 H CB 0.000 29.746 29.762 -0.027 0.000 1.395 443 H HN 0.356 nan 8.280 nan 0.000 0.530 444 L N 0.286 121.435 121.223 -0.124 0.000 2.017 444 L HA -0.210 4.123 4.340 -0.012 0.000 0.208 444 L C 2.161 178.908 176.870 -0.206 0.000 1.073 444 L CA 1.284 56.049 54.840 -0.125 0.000 0.745 444 L CB -0.368 41.636 42.059 -0.091 0.000 0.894 444 L HN 0.447 nan 8.230 nan 0.000 0.432 445 C N -0.078 118.996 119.300 -0.376 0.000 2.440 445 C HA -0.139 4.314 4.460 -0.012 0.000 0.278 445 C C 2.676 177.443 174.990 -0.371 0.000 1.295 445 C CA 0.375 59.100 59.018 -0.488 0.000 1.738 445 C CB -0.726 26.341 27.740 -1.121 0.000 1.987 445 C HN 0.496 nan 8.230 nan 0.000 0.492 446 I N 1.377 121.696 120.570 -0.419 0.000 2.252 446 I HA -0.173 3.990 4.170 -0.012 0.000 0.245 446 I C 2.735 178.723 176.117 -0.215 0.000 1.102 446 I CA 1.586 62.675 61.300 -0.352 0.000 1.385 446 I CB -0.471 37.193 38.000 -0.561 0.000 1.064 446 I HN 0.257 nan 8.210 nan 0.000 0.414 447 A N 0.407 123.078 122.820 -0.249 0.000 1.930 447 A HA -0.052 4.261 4.320 -0.012 0.000 0.217 447 A C 2.176 179.812 177.584 0.086 0.000 1.175 447 A CA 1.737 53.664 52.037 -0.184 0.000 0.627 447 A CB -1.006 17.700 19.000 -0.491 0.000 0.815 447 A HN 0.466 nan 8.150 nan 0.000 0.443 448 G N -1.115 107.676 108.800 -0.015 0.000 3.337 448 G HA2 0.428 4.382 3.960 -0.012 0.000 0.246 448 G HA3 0.428 4.382 3.960 -0.012 0.000 0.246 448 G C 0.054 174.793 174.900 -0.269 0.000 1.131 448 G CA 0.443 45.409 45.100 -0.224 0.000 0.773 448 G HN 0.332 nan 8.290 nan 0.000 0.544 449 S N -0.408 115.194 115.700 -0.163 0.000 2.568 449 S HA 0.342 4.805 4.470 -0.012 0.000 0.293 449 S C 0.584 175.144 174.600 -0.066 0.000 1.089 449 S CA -0.726 57.406 58.200 -0.114 0.000 0.945 449 S CB 1.271 64.407 63.200 -0.107 0.000 1.077 449 S HN 0.494 nan 8.310 nan 0.000 0.485 450 H N -0.362 118.672 119.070 -0.059 0.000 2.539 450 H HA 0.567 5.116 4.556 -0.012 0.000 0.269 450 H C 0.011 175.329 175.328 -0.016 0.000 0.980 450 H CA 0.097 56.138 56.048 -0.012 0.000 1.152 450 H CB 0.138 29.907 29.762 0.011 0.000 1.407 450 H HN 0.515 nan 8.280 nan 0.000 0.564 451 A N 0.885 123.440 122.820 -0.441 0.000 2.517 451 A HA 0.545 4.858 4.320 -0.012 0.000 0.297 451 A C -1.515 175.864 177.584 -0.341 0.000 1.050 451 A CA -0.559 51.249 52.037 -0.382 0.000 0.694 451 A CB 2.087 20.814 19.000 -0.455 0.000 1.277 451 A HN 0.094 nan 8.150 nan 0.000 0.400 452 V N 4.245 123.913 119.914 -0.409 0.000 2.577 452 V HA 0.552 4.665 4.120 -0.012 0.000 0.303 452 V C -0.692 175.185 176.094 -0.361 0.000 1.042 452 V CA -0.742 61.288 62.300 -0.450 0.000 0.872 452 V CB 1.814 33.177 31.823 -0.768 0.000 0.998 452 V HN 1.030 nan 8.190 nan 0.000 0.423 453 N N 3.045 121.559 118.700 -0.311 0.000 2.321 453 N HA 0.641 5.374 4.740 -0.012 0.000 0.290 453 N C -0.321 175.077 175.510 -0.187 0.000 1.212 453 N CA -0.388 52.532 53.050 -0.218 0.000 0.767 453 N CB 2.924 41.271 38.487 -0.234 0.000 1.494 453 N HN 0.641 nan 8.380 nan 0.000 0.479 454 G N -0.918 107.811 108.800 -0.118 0.000 2.511 454 G HA2 0.431 4.384 3.960 -0.012 0.000 0.316 454 G HA3 0.431 4.384 3.960 -0.012 0.000 0.316 454 G C 0.721 175.683 174.900 0.103 0.000 1.210 454 G CA -0.585 44.497 45.100 -0.031 0.000 0.969 454 G HN 0.613 nan 8.290 nan 0.000 0.492 455 V N -3.347 116.745 119.914 0.296 0.000 3.376 455 V HA 0.685 4.798 4.120 -0.012 0.000 0.313 455 V C 0.563 176.740 176.094 0.138 0.000 1.393 455 V CA 0.300 62.688 62.300 0.145 0.000 1.125 455 V CB -0.882 30.979 31.823 0.063 0.000 1.037 455 V HN 1.366 nan 8.190 nan 0.000 0.440 456 A N -0.193 122.719 122.820 0.154 0.000 2.594 456 A HA 0.609 4.922 4.320 -0.012 0.000 0.296 456 A C 0.675 178.310 177.584 0.085 0.000 1.056 456 A CA -0.119 51.986 52.037 0.113 0.000 0.693 456 A CB 1.106 20.161 19.000 0.092 0.000 1.278 456 A HN 0.030 nan 8.150 nan 0.000 0.408 457 R N 0.953 121.483 120.500 0.050 0.000 2.112 457 R HA -0.180 4.153 4.340 -0.012 0.000 0.242 457 R C 1.727 178.026 176.300 -0.000 0.000 1.137 457 R CA 2.358 58.466 56.100 0.012 0.000 0.944 457 R CB -0.219 30.084 30.300 0.005 0.000 0.857 457 R HN 0.845 nan 8.270 nan 0.000 0.435 458 I N 0.140 120.718 120.570 0.013 0.000 2.315 458 I HA -0.275 3.888 4.170 -0.012 0.000 0.248 458 I C 2.316 178.443 176.117 0.017 0.000 1.117 458 I CA 1.902 63.202 61.300 -0.001 0.000 1.404 458 I CB -0.286 37.712 38.000 -0.004 0.000 1.071 458 I HN 0.341 nan 8.210 nan 0.000 0.419 459 H N 0.444 119.487 119.070 -0.045 0.000 2.353 459 H HA -0.119 4.430 4.556 -0.012 0.000 0.300 459 H C 2.217 177.514 175.328 -0.053 0.000 1.090 459 H CA 2.173 58.190 56.048 -0.052 0.000 1.327 459 H CB -0.255 29.482 29.762 -0.042 0.000 1.383 459 H HN 0.254 nan 8.280 nan 0.000 0.508 460 S N 0.077 115.668 115.700 -0.182 0.000 2.383 460 S HA -0.109 4.354 4.470 -0.012 0.000 0.227 460 S C 1.881 176.364 174.600 -0.194 0.000 1.026 460 S CA 1.130 59.194 58.200 -0.227 0.000 0.981 460 S CB -0.052 63.086 63.200 -0.104 0.000 0.818 460 S HN 0.479 nan 8.310 nan 0.000 0.472 461 E N 1.105 121.215 120.200 -0.151 0.000 2.072 461 E HA 0.028 4.371 4.350 -0.012 0.000 0.190 461 E C 1.996 178.485 176.600 -0.185 0.000 0.982 461 E CA 0.574 56.875 56.400 -0.166 0.000 0.803 461 E CB -0.376 29.255 29.700 -0.114 0.000 0.755 461 E HN 0.481 nan 8.360 nan 0.000 0.453 462 I N 0.982 121.458 120.570 -0.156 0.000 2.264 462 I HA -0.275 3.888 4.170 -0.012 0.000 0.248 462 I C 2.312 178.308 176.117 -0.201 0.000 1.111 462 I CA 0.762 61.974 61.300 -0.146 0.000 1.382 462 I CB -0.110 37.837 38.000 -0.089 0.000 1.060 462 I HN 0.067 nan 8.210 nan 0.000 0.418 463 L N 0.095 121.166 121.223 -0.254 0.000 2.083 463 L HA -0.223 4.110 4.340 -0.012 0.000 0.209 463 L C 2.457 179.222 176.870 -0.175 0.000 1.083 463 L CA 1.483 56.187 54.840 -0.228 0.000 0.752 463 L CB -0.536 41.463 42.059 -0.099 0.000 0.899 463 L HN 0.212 nan 8.230 nan 0.000 0.433 464 K N -0.058 120.169 120.400 -0.289 0.000 2.116 464 K HA -0.108 4.205 4.320 -0.012 0.000 0.203 464 K C 2.097 178.500 176.600 -0.329 0.000 1.052 464 K CA 0.917 56.892 56.287 -0.521 0.000 0.952 464 K CB 0.080 32.038 32.500 -0.903 0.000 0.729 464 K HN 0.220 nan 8.250 nan 0.000 0.446 465 K N -0.146 120.114 120.400 -0.235 0.000 2.186 465 K HA 0.006 4.319 4.320 -0.012 0.000 0.202 465 K C 1.359 177.901 176.600 -0.097 0.000 1.052 465 K CA 1.054 57.256 56.287 -0.141 0.000 0.965 465 K CB 0.385 32.813 32.500 -0.120 0.000 0.746 465 K HN 0.076 nan 8.250 nan 0.000 0.457 466 T N 0.396 114.881 114.554 -0.116 0.000 3.066 466 T HA 0.060 4.404 4.350 -0.012 0.000 0.176 466 T C 1.499 176.138 174.700 -0.103 0.000 0.826 466 T CA -0.387 61.656 62.100 -0.096 0.000 1.280 466 T CB -0.460 68.346 68.868 -0.103 0.000 2.214 466 T HN -0.083 nan 8.240 nan 0.000 0.399 467 I N 1.058 121.505 120.570 -0.205 0.000 2.147 467 I HA -0.207 3.956 4.170 -0.012 0.000 0.245 467 I C 0.625 176.624 176.117 -0.197 0.000 1.059 467 I CA 1.902 63.003 61.300 -0.332 0.000 1.320 467 I CB -0.162 37.428 38.000 -0.683 0.000 1.021 467 I HN 0.304 nan 8.210 nan 0.000 0.415 468 F N 0.356 120.373 119.950 0.112 0.000 2.850 468 F HA 0.280 4.800 4.527 -0.012 0.000 0.306 468 F C 1.642 177.521 175.800 0.133 0.000 1.162 468 F CA -0.614 57.525 58.000 0.233 0.000 1.327 468 F CB -0.915 38.242 39.000 0.262 0.000 0.953 468 F HN -0.053 nan 8.300 nan 0.000 0.507 469 K N 0.726 121.234 120.400 0.181 0.000 2.020 469 K HA -0.201 4.112 4.320 -0.012 0.000 0.212 469 K C 1.302 177.951 176.600 0.081 0.000 1.050 469 K CA 2.133 58.469 56.287 0.081 0.000 0.929 469 K CB 0.004 32.517 32.500 0.023 0.000 0.714 469 K HN 0.151 nan 8.250 nan 0.000 0.443 470 D N -0.102 120.316 120.400 0.030 0.000 2.123 470 D HA -0.174 4.459 4.640 -0.012 0.000 0.196 470 D C 1.849 178.047 176.300 -0.172 0.000 0.992 470 D CA 1.265 55.154 54.000 -0.185 0.000 0.833 470 D CB -0.337 40.255 40.800 -0.346 0.000 0.954 470 D HN 0.225 nan 8.370 nan 0.000 0.455 471 F N -0.195 119.817 119.950 0.104 0.000 2.186 471 F HA -0.140 4.380 4.527 -0.012 0.000 0.299 471 F C 2.331 178.224 175.800 0.154 0.000 1.090 471 F CA 0.500 58.634 58.000 0.222 0.000 1.307 471 F CB -0.652 38.564 39.000 0.361 0.000 1.019 471 F HN -0.025 nan 8.300 nan 0.000 0.489 472 Y N 1.261 121.476 120.300 -0.141 0.000 2.242 472 Y HA -0.161 4.382 4.550 -0.012 0.000 0.291 472 Y C 2.106 177.961 175.900 -0.075 0.000 1.137 472 Y CA 1.528 59.362 58.100 -0.443 0.000 1.181 472 Y CB -0.593 37.470 38.460 -0.662 0.000 0.989 472 Y HN 0.123 nan 8.280 nan 0.000 0.527 473 E N -0.101 120.020 120.200 -0.132 0.000 2.150 473 E HA -0.186 4.157 4.350 -0.012 0.000 0.193 473 E C 2.235 178.877 176.600 0.069 0.000 0.985 473 E CA 0.953 57.299 56.400 -0.090 0.000 0.814 473 E CB -0.189 29.514 29.700 0.004 0.000 0.752 473 E HN 0.443 nan 8.360 nan 0.000 0.466 474 L N 0.774 122.080 121.223 0.139 0.000 2.044 474 L HA -0.079 4.254 4.340 -0.012 0.000 0.205 474 L C 0.106 177.060 176.870 0.139 0.000 1.075 474 L CA 1.488 56.456 54.840 0.214 0.000 0.747 474 L CB 0.128 42.320 42.059 0.221 0.000 0.903 474 L HN 0.068 nan 8.230 nan 0.000 0.435 475 E N -0.071 120.196 120.200 0.112 0.000 2.923 475 E HA 0.167 4.510 4.350 -0.012 0.000 0.266 475 E C -2.010 174.508 176.600 -0.135 0.000 1.157 475 E CA -1.376 54.999 56.400 -0.041 0.000 0.795 475 E CB 0.991 30.648 29.700 -0.072 0.000 1.454 475 E HN 0.164 nan 8.360 nan 0.000 0.386 476 P HA -0.245 nan 4.420 nan 0.000 0.219 476 P C 1.156 178.538 177.300 0.138 0.000 1.146 476 P CA 1.370 64.361 63.100 -0.183 0.000 0.808 476 P CB -0.080 31.405 31.700 -0.359 0.000 0.779 477 H N -0.051 119.120 119.070 0.170 0.000 2.491 477 H HA 0.084 4.633 4.556 -0.012 0.000 0.290 477 H C 1.540 176.967 175.328 0.165 0.000 1.050 477 H CA 0.749 56.890 56.048 0.154 0.000 1.309 477 H CB -0.599 29.226 29.762 0.104 0.000 1.392 477 H HN 0.149 nan 8.280 nan 0.000 0.554 478 K N 0.317 120.637 120.400 -0.133 0.000 2.155 478 K HA 0.019 4.332 4.320 -0.012 0.000 0.203 478 K C -0.149 176.331 176.600 -0.201 0.000 1.052 478 K CA 0.302 56.499 56.287 -0.149 0.000 0.948 478 K CB 0.069 32.375 32.500 -0.324 0.000 0.728 478 K HN 0.074 nan 8.250 nan 0.000 0.448 479 F N 2.047 122.028 119.950 0.051 0.000 2.445 479 F HA 0.144 4.664 4.527 -0.012 0.000 0.359 479 F C 0.528 176.333 175.800 0.009 0.000 1.101 479 F CA -0.013 58.017 58.000 0.049 0.000 1.177 479 F CB 0.671 39.754 39.000 0.139 0.000 1.110 479 F HN -0.047 nan 8.300 nan 0.000 0.522 480 Q N 1.813 121.628 119.800 0.024 0.000 2.892 480 Q HA 0.444 4.777 4.340 -0.012 0.000 0.307 480 Q C -1.046 174.908 176.000 -0.076 0.000 1.039 480 Q CA -1.330 54.452 55.803 -0.035 0.000 0.792 480 Q CB 2.917 31.586 28.738 -0.116 0.000 1.504 480 Q HN 0.635 nan 8.270 nan 0.000 0.487 481 N N 0.164 118.800 118.700 -0.107 0.000 2.262 481 N HA 0.298 5.031 4.740 -0.012 0.000 0.295 481 N C -1.610 173.800 175.510 -0.167 0.000 1.161 481 N CA -0.437 52.549 53.050 -0.106 0.000 0.767 481 N CB 1.468 39.917 38.487 -0.062 0.000 1.499 481 N HN 0.306 nan 8.380 nan 0.000 0.476 482 K N 2.426 122.737 120.400 -0.148 0.000 2.790 482 K HA 0.171 4.484 4.320 -0.012 0.000 0.253 482 K C -1.093 175.520 176.600 0.022 0.000 1.082 482 K CA -0.452 55.723 56.287 -0.187 0.000 1.067 482 K CB 1.078 33.243 32.500 -0.558 0.000 1.284 482 K HN 0.580 nan 8.250 nan 0.000 0.529 483 T N 1.972 116.557 114.554 0.052 0.000 2.908 483 T HA 0.039 4.382 4.350 -0.012 0.000 0.301 483 T C 0.854 175.690 174.700 0.226 0.000 1.019 483 T CA 0.435 62.619 62.100 0.140 0.000 1.152 483 T CB 0.284 69.242 68.868 0.149 0.000 0.966 483 T HN 0.343 nan 8.240 nan 0.000 0.540 484 N N 0.563 119.415 118.700 0.253 0.000 2.231 484 N HA 0.411 5.144 4.740 -0.012 0.000 0.223 484 N C 0.514 176.216 175.510 0.320 0.000 1.329 484 N CA -0.154 53.076 53.050 0.299 0.000 0.889 484 N CB 0.359 38.959 38.487 0.189 0.000 1.125 484 N HN 0.772 nan 8.380 nan 0.000 0.447 485 G N -0.826 108.166 108.800 0.319 0.000 2.600 485 G HA2 0.585 4.538 3.960 -0.012 0.000 0.293 485 G HA3 0.585 4.538 3.960 -0.012 0.000 0.293 485 G C -1.493 173.546 174.900 0.233 0.000 1.408 485 G CA -0.756 44.521 45.100 0.296 0.000 0.782 485 G HN 0.592 nan 8.290 nan 0.000 0.482 486 I N -2.460 118.236 120.570 0.210 0.000 2.934 486 I HA 0.780 4.943 4.170 -0.012 0.000 0.306 486 I C -0.188 176.097 176.117 0.280 0.000 1.110 486 I CA -1.038 60.387 61.300 0.209 0.000 1.019 486 I CB 2.425 40.451 38.000 0.044 0.000 1.227 486 I HN 0.495 nan 8.210 nan 0.000 0.434 487 T N 3.353 118.130 114.554 0.371 0.000 2.749 487 T HA 0.393 4.736 4.350 -0.012 0.000 0.295 487 T C -1.516 173.294 174.700 0.183 0.000 0.936 487 T CA -1.750 60.477 62.100 0.212 0.000 1.060 487 T CB 0.814 69.747 68.868 0.109 0.000 0.904 487 T HN 0.610 nan 8.240 nan 0.000 0.500 488 P HA 0.026 nan 4.420 nan 0.000 0.230 488 P C 1.113 178.382 177.300 -0.051 0.000 1.158 488 P CA 0.410 63.545 63.100 0.058 0.000 0.769 488 P CB 0.340 32.060 31.700 0.033 0.000 0.807 489 R N 0.285 120.705 120.500 -0.133 0.000 2.056 489 R HA 0.018 4.351 4.340 -0.012 0.000 0.227 489 R C 2.696 178.875 176.300 -0.203 0.000 1.149 489 R CA 1.513 57.493 56.100 -0.201 0.000 0.937 489 R CB -1.133 29.051 30.300 -0.193 0.000 0.835 489 R HN 0.051 nan 8.270 nan 0.000 0.430 490 R N -0.737 119.577 120.500 -0.311 0.000 2.075 490 R HA -0.107 4.226 4.340 -0.012 0.000 0.232 490 R C 1.192 177.139 176.300 -0.588 0.000 1.126 490 R CA 1.553 57.317 56.100 -0.560 0.000 0.963 490 R CB -0.210 29.550 30.300 -0.900 0.000 0.858 490 R HN 0.297 nan 8.270 nan 0.000 0.435 491 W N 0.115 121.370 121.300 -0.074 0.000 3.292 491 W HA 0.107 4.760 4.660 -0.013 0.000 0.263 491 W C 1.038 177.523 176.519 -0.056 0.000 1.318 491 W CA -0.672 56.627 57.345 -0.077 0.000 1.663 491 W CB 0.343 29.762 29.460 -0.068 0.000 1.114 491 W HN 0.254 nan 8.180 nan 0.000 0.706 492 L N -2.380 118.899 121.223 0.093 0.000 2.923 492 L HA 0.174 4.507 4.340 -0.012 0.000 0.161 492 L C 1.752 178.640 176.870 0.030 0.000 1.202 492 L CA 0.685 55.575 54.840 0.084 0.000 0.920 492 L CB -0.858 41.273 42.059 0.120 0.000 1.773 492 L HN -0.274 nan 8.230 nan 0.000 0.532 493 V N 1.309 121.219 119.914 -0.006 0.000 2.392 493 V HA -0.258 3.855 4.120 -0.012 0.000 0.249 493 V C 2.422 178.491 176.094 -0.043 0.000 1.059 493 V CA 2.468 64.754 62.300 -0.024 0.000 1.051 493 V CB -0.640 31.138 31.823 -0.075 0.000 0.658 493 V HN 0.511 nan 8.190 nan 0.000 0.455 494 L N 0.294 121.463 121.223 -0.090 0.000 2.084 494 L HA -0.122 4.211 4.340 -0.012 0.000 0.202 494 L C 2.506 179.318 176.870 -0.098 0.000 1.074 494 L CA 2.007 56.778 54.840 -0.115 0.000 0.757 494 L CB -0.203 41.735 42.059 -0.202 0.000 0.918 494 L HN 0.605 nan 8.230 nan 0.000 0.444 495 C N -1.436 117.803 119.300 -0.102 0.000 2.514 495 C HA 0.175 4.628 4.460 -0.012 0.000 0.271 495 C C 1.152 176.130 174.990 -0.020 0.000 1.399 495 C CA -0.238 58.742 59.018 -0.063 0.000 1.765 495 C CB -1.099 26.616 27.740 -0.041 0.000 1.893 495 C HN 0.587 nan 8.230 nan 0.000 0.531 496 N N 0.995 119.692 118.700 -0.004 0.000 2.711 496 N HA 0.282 5.015 4.740 -0.012 0.000 0.263 496 N C -1.815 173.707 175.510 0.020 0.000 1.667 496 N CA -1.514 51.543 53.050 0.012 0.000 0.785 496 N CB 0.779 39.281 38.487 0.024 0.000 1.231 496 N HN 0.231 nan 8.380 nan 0.000 0.503 497 P HA -0.044 nan 4.420 nan 0.000 0.218 497 P C 1.408 178.724 177.300 0.026 0.000 1.149 497 P CA 0.905 64.017 63.100 0.020 0.000 0.817 497 P CB 0.238 31.943 31.700 0.009 0.000 0.785 498 G N 0.631 109.441 108.800 0.016 0.000 2.440 498 G HA2 -0.251 3.702 3.960 -0.012 0.000 0.218 498 G HA3 -0.251 3.702 3.960 -0.012 0.000 0.218 498 G C 1.513 176.419 174.900 0.009 0.000 1.154 498 G CA 0.698 45.804 45.100 0.010 0.000 0.767 498 G HN 0.258 nan 8.290 nan 0.000 0.552 499 L N 1.137 122.367 121.223 0.012 0.000 2.109 499 L HA 0.317 4.650 4.340 -0.012 0.000 0.207 499 L C 2.996 179.892 176.870 0.043 0.000 1.086 499 L CA 1.910 56.754 54.840 0.007 0.000 0.760 499 L CB -0.637 41.427 42.059 0.009 0.000 0.910 499 L HN 0.214 nan 8.230 nan 0.000 0.437 500 A N -0.784 122.084 122.820 0.080 0.000 1.969 500 A HA -0.212 4.101 4.320 -0.012 0.000 0.218 500 A C 2.212 179.888 177.584 0.154 0.000 1.169 500 A CA 1.592 53.728 52.037 0.164 0.000 0.635 500 A CB -0.580 18.519 19.000 0.165 0.000 0.810 500 A HN 0.535 nan 8.150 nan 0.000 0.445 501 E N 0.940 121.193 120.200 0.089 0.000 2.028 501 E HA -0.174 4.169 4.350 -0.012 0.000 0.191 501 E C 1.861 178.502 176.600 0.069 0.000 0.988 501 E CA 1.694 58.138 56.400 0.073 0.000 0.799 501 E CB -0.538 29.187 29.700 0.042 0.000 0.755 501 E HN 0.724 nan 8.360 nan 0.000 0.447 502 I N -1.616 118.988 120.570 0.056 0.000 2.361 502 I HA -0.153 4.010 4.170 -0.012 0.000 0.251 502 I C 2.201 178.399 176.117 0.135 0.000 1.133 502 I CA 1.187 62.536 61.300 0.081 0.000 1.413 502 I CB -0.363 37.660 38.000 0.038 0.000 1.073 502 I HN 0.041 nan 8.210 nan 0.000 0.424 503 I N 1.959 122.583 120.570 0.090 0.000 2.202 503 I HA -0.203 3.961 4.170 -0.012 0.000 0.242 503 I C 3.005 179.086 176.117 -0.060 0.000 1.091 503 I CA 1.407 62.695 61.300 -0.021 0.000 1.368 503 I CB -0.395 37.470 38.000 -0.225 0.000 1.058 503 I HN 0.308 nan 8.210 nan 0.000 0.410 504 A N 0.152 123.021 122.820 0.082 0.000 1.933 504 A HA -0.231 4.082 4.320 -0.012 0.000 0.218 504 A C 2.157 179.772 177.584 0.051 0.000 1.175 504 A CA 1.593 53.720 52.037 0.151 0.000 0.628 504 A CB -0.587 18.532 19.000 0.200 0.000 0.814 504 A HN 0.431 nan 8.150 nan 0.000 0.444 505 E N -0.694 119.522 120.200 0.026 0.000 2.209 505 E HA -0.196 4.147 4.350 -0.012 0.000 0.196 505 E C 2.224 178.792 176.600 -0.055 0.000 0.993 505 E CA 1.190 57.590 56.400 0.001 0.000 0.819 505 E CB -0.007 29.701 29.700 0.013 0.000 0.745 505 E HN 0.542 nan 8.360 nan 0.000 0.477 506 R N -0.075 120.337 120.500 -0.146 0.000 2.103 506 R HA 0.103 4.436 4.340 -0.012 0.000 0.212 506 R C 2.251 178.451 176.300 -0.166 0.000 1.107 506 R CA 0.785 56.712 56.100 -0.288 0.000 1.025 506 R CB -0.223 29.583 30.300 -0.822 0.000 0.929 506 R HN 0.262 nan 8.270 nan 0.000 0.456 507 I N -2.177 118.312 120.570 -0.134 0.000 4.025 507 I HA 0.456 4.619 4.170 -0.012 0.000 0.336 507 I C 0.435 176.590 176.117 0.063 0.000 1.390 507 I CA 0.011 61.294 61.300 -0.028 0.000 1.099 507 I CB 0.852 38.820 38.000 -0.053 0.000 1.049 507 I HN 0.218 nan 8.210 nan 0.000 0.394 508 G N 1.902 110.752 108.800 0.084 0.000 2.698 508 G HA2 -0.210 3.743 3.960 -0.012 0.000 0.225 508 G HA3 -0.210 3.743 3.960 -0.012 0.000 0.225 508 G C -0.033 175.007 174.900 0.234 0.000 1.345 508 G CA 0.163 45.339 45.100 0.125 0.000 0.871 508 G HN 0.435 nan 8.290 nan 0.000 0.540 509 E N -0.487 119.793 120.200 0.133 0.000 2.460 509 E HA 0.080 4.423 4.350 -0.012 0.000 0.200 509 E C 1.874 178.414 176.600 -0.101 0.000 1.011 509 E CA 0.037 56.446 56.400 0.016 0.000 0.912 509 E CB 0.260 29.963 29.700 0.005 0.000 0.953 509 E HN 0.474 nan 8.360 nan 0.000 0.494 510 E N 0.714 120.928 120.200 0.024 0.000 2.331 510 E HA -0.192 4.151 4.350 -0.012 0.000 0.199 510 E C 1.591 178.182 176.600 -0.015 0.000 1.008 510 E CA 0.877 57.285 56.400 0.013 0.000 0.843 510 E CB -0.011 29.721 29.700 0.054 0.000 0.761 510 E HN 0.518 nan 8.360 nan 0.000 0.507 511 Y N -1.107 119.197 120.300 0.007 0.000 2.497 511 Y HA -0.060 4.484 4.550 -0.010 0.000 0.292 511 Y C 1.829 177.704 175.900 -0.042 0.000 1.137 511 Y CA 0.336 58.431 58.100 -0.009 0.000 1.285 511 Y CB -0.344 38.114 38.460 -0.002 0.000 0.991 511 Y HN -0.087 nan 8.280 nan 0.000 0.556 512 I N 1.146 121.233 120.570 -0.805 0.000 2.454 512 I HA -0.204 3.959 4.170 -0.012 0.000 0.254 512 I C 1.587 177.449 176.117 -0.424 0.000 1.156 512 I CA 1.696 62.577 61.300 -0.699 0.000 1.433 512 I CB -1.312 36.177 38.000 -0.851 0.000 1.082 512 I HN 0.514 nan 8.210 nan 0.000 0.432 513 S N -1.592 113.965 115.700 -0.238 0.000 2.650 513 S HA 0.190 4.653 4.470 -0.012 0.000 0.240 513 S C 0.301 174.884 174.600 -0.028 0.000 1.007 513 S CA -0.400 57.738 58.200 -0.103 0.000 0.984 513 S CB 0.482 63.690 63.200 0.012 0.000 0.910 513 S HN 0.283 nan 8.310 nan 0.000 0.509 514 D N 0.935 121.328 120.400 -0.012 0.000 2.978 514 D HA 0.258 4.891 4.640 -0.012 0.000 0.268 514 D C 0.718 177.065 176.300 0.078 0.000 1.252 514 D CA -0.337 53.682 54.000 0.032 0.000 0.771 514 D CB -0.104 40.719 40.800 0.039 0.000 1.361 514 D HN 0.084 nan 8.370 nan 0.000 0.558 515 L N 0.414 121.684 121.223 0.079 0.000 2.263 515 L HA -0.160 4.173 4.340 -0.012 0.000 0.216 515 L C 1.152 178.076 176.870 0.089 0.000 1.111 515 L CA 1.250 56.166 54.840 0.126 0.000 0.773 515 L CB 0.036 42.156 42.059 0.102 0.000 0.906 515 L HN 0.321 nan 8.230 nan 0.000 0.439 516 D N -0.295 120.134 120.400 0.049 0.000 2.221 516 D HA -0.226 4.407 4.640 -0.012 0.000 0.204 516 D C 2.009 178.330 176.300 0.035 0.000 0.982 516 D CA 0.999 55.013 54.000 0.024 0.000 0.857 516 D CB -0.032 40.770 40.800 0.005 0.000 0.934 516 D HN 0.508 nan 8.370 nan 0.000 0.475 517 Q N -0.241 119.597 119.800 0.063 0.000 2.508 517 Q HA -0.099 4.234 4.340 -0.012 0.000 0.214 517 Q C 1.707 177.725 176.000 0.030 0.000 0.979 517 Q CA 0.070 55.910 55.803 0.062 0.000 0.911 517 Q CB 0.092 28.895 28.738 0.109 0.000 0.969 517 Q HN 0.181 nan 8.270 nan 0.000 0.504 518 L N 0.537 121.770 121.223 0.017 0.000 2.362 518 L HA -0.133 4.200 4.340 -0.012 0.000 0.219 518 L C 2.031 178.896 176.870 -0.009 0.000 1.134 518 L CA 1.423 56.239 54.840 -0.040 0.000 0.807 518 L CB -0.412 41.635 42.059 -0.021 0.000 0.927 518 L HN 0.124 nan 8.230 nan 0.000 0.447 519 R N -0.434 120.071 120.500 0.009 0.000 2.127 519 R HA -0.171 4.162 4.340 -0.012 0.000 0.238 519 R C 1.928 178.236 176.300 0.014 0.000 1.134 519 R CA 1.022 57.130 56.100 0.013 0.000 0.975 519 R CB -0.187 30.117 30.300 0.007 0.000 0.865 519 R HN 0.403 nan 8.270 nan 0.000 0.447 520 K N 0.597 121.006 120.400 0.015 0.000 2.360 520 K HA -0.093 4.220 4.320 -0.012 0.000 0.201 520 K C 1.835 178.484 176.600 0.081 0.000 1.046 520 K CA 0.699 57.005 56.287 0.032 0.000 0.940 520 K CB -0.048 32.477 32.500 0.043 0.000 0.748 520 K HN 0.245 nan 8.250 nan 0.000 0.465 521 L N 0.584 121.838 121.223 0.051 0.000 2.465 521 L HA -0.123 4.210 4.340 -0.012 0.000 0.224 521 L C 1.844 178.781 176.870 0.112 0.000 1.145 521 L CA 0.124 55.006 54.840 0.070 0.000 0.834 521 L CB -0.178 41.884 42.059 0.006 0.000 0.944 521 L HN 0.154 nan 8.230 nan 0.000 0.451 522 L N 0.025 121.281 121.223 0.056 0.000 2.131 522 L HA -0.175 4.158 4.340 -0.012 0.000 0.210 522 L C 2.704 179.562 176.870 -0.020 0.000 1.092 522 L CA 1.936 56.794 54.840 0.029 0.000 0.759 522 L CB -0.892 41.171 42.059 0.007 0.000 0.903 522 L HN 0.326 nan 8.230 nan 0.000 0.435 523 S N -2.609 113.030 115.700 -0.102 0.000 2.607 523 S HA -0.083 4.380 4.470 -0.012 0.000 0.224 523 S C 1.159 175.485 174.600 -0.458 0.000 0.969 523 S CA 0.279 58.313 58.200 -0.276 0.000 0.927 523 S CB -0.542 62.435 63.200 -0.370 0.000 0.772 523 S HN 0.471 nan 8.310 nan 0.000 0.533 524 Y N -0.523 119.702 120.300 -0.125 0.000 2.557 524 Y HA 0.433 4.980 4.550 -0.004 0.000 0.247 524 Y C 1.828 177.739 175.900 0.018 0.000 1.164 524 Y CA -0.578 57.436 58.100 -0.143 0.000 1.218 524 Y CB 0.262 38.429 38.460 -0.488 0.000 1.210 524 Y HN 0.262 nan 8.280 nan 0.000 0.529 525 V N 0.389 120.380 119.914 0.127 0.000 2.867 525 V HA -0.198 3.916 4.120 -0.012 0.000 0.260 525 V C 0.831 176.990 176.094 0.109 0.000 1.099 525 V CA 2.175 64.558 62.300 0.139 0.000 1.122 525 V CB -0.026 31.843 31.823 0.077 0.000 0.708 525 V HN 0.363 nan 8.190 nan 0.000 0.490 526 D N -1.003 119.443 120.400 0.077 0.000 2.469 526 D HA 0.121 4.754 4.640 -0.012 0.000 0.213 526 D C 0.339 176.685 176.300 0.076 0.000 1.135 526 D CA -0.088 53.947 54.000 0.058 0.000 0.834 526 D CB 0.178 40.989 40.800 0.019 0.000 1.009 526 D HN 0.426 nan 8.370 nan 0.000 0.507 527 D N 1.649 122.125 120.400 0.126 0.000 2.358 527 D HA -0.047 4.586 4.640 -0.012 0.000 0.258 527 D C 1.231 177.633 176.300 0.170 0.000 1.223 527 D CA 0.117 54.213 54.000 0.160 0.000 0.886 527 D CB 1.553 42.515 40.800 0.270 0.000 1.120 527 D HN -0.232 nan 8.370 nan 0.000 0.482 528 E N 3.397 123.665 120.200 0.114 0.000 2.077 528 E HA -0.124 4.219 4.350 -0.012 0.000 0.193 528 E C 1.702 178.361 176.600 0.098 0.000 0.989 528 E CA 1.350 57.803 56.400 0.089 0.000 0.800 528 E CB -0.233 29.502 29.700 0.058 0.000 0.746 528 E HN 0.607 nan 8.360 nan 0.000 0.452 529 A N -0.222 122.670 122.820 0.121 0.000 1.873 529 A HA -0.148 4.165 4.320 -0.012 0.000 0.215 529 A C 2.193 179.869 177.584 0.152 0.000 1.186 529 A CA 1.277 53.383 52.037 0.115 0.000 0.616 529 A CB -0.876 18.193 19.000 0.115 0.000 0.823 529 A HN 0.344 nan 8.150 nan 0.000 0.442 530 F N 0.585 120.554 119.950 0.031 0.000 2.102 530 F HA -0.141 4.381 4.527 -0.009 0.000 0.298 530 F C 2.035 177.843 175.800 0.014 0.000 1.105 530 F CA 1.423 59.428 58.000 0.008 0.000 1.239 530 F CB -0.388 38.630 39.000 0.029 0.000 0.991 530 F HN 0.167 nan 8.300 nan 0.000 0.474 531 I N -0.172 120.452 120.570 0.090 0.000 2.194 531 I HA -0.356 3.807 4.170 -0.012 0.000 0.246 531 I C 2.628 178.705 176.117 -0.065 0.000 1.093 531 I CA 1.699 62.993 61.300 -0.010 0.000 1.355 531 I CB -0.447 37.587 38.000 0.057 0.000 1.046 531 I HN 0.075 nan 8.210 nan 0.000 0.413 532 R N 0.811 121.294 120.500 -0.030 0.000 2.081 532 R HA -0.187 4.146 4.340 -0.012 0.000 0.235 532 R C 1.870 178.124 176.300 -0.077 0.000 1.131 532 R CA 1.852 57.930 56.100 -0.037 0.000 0.960 532 R CB -0.111 30.185 30.300 -0.007 0.000 0.856 532 R HN 0.266 nan 8.270 nan 0.000 0.436 533 D N -0.428 119.903 120.400 -0.115 0.000 2.097 533 D HA -0.112 4.521 4.640 -0.012 0.000 0.197 533 D C 1.933 178.093 176.300 -0.234 0.000 0.984 533 D CA 1.237 55.144 54.000 -0.155 0.000 0.826 533 D CB -0.252 40.461 40.800 -0.146 0.000 0.973 533 D HN 0.051 nan 8.370 nan 0.000 0.460 534 V N 1.400 121.072 119.914 -0.403 0.000 2.287 534 V HA -0.275 3.838 4.120 -0.012 0.000 0.248 534 V C 2.464 178.458 176.094 -0.167 0.000 1.053 534 V CA 1.995 64.076 62.300 -0.365 0.000 1.027 534 V CB -0.771 30.783 31.823 -0.449 0.000 0.646 534 V HN 0.205 nan 8.190 nan 0.000 0.447 535 A N -0.804 121.942 122.820 -0.124 0.000 1.969 535 A HA -0.232 4.081 4.320 -0.012 0.000 0.218 535 A C 2.350 179.897 177.584 -0.061 0.000 1.169 535 A CA 1.983 53.983 52.037 -0.062 0.000 0.635 535 A CB -0.429 18.541 19.000 -0.050 0.000 0.810 535 A HN 0.531 nan 8.150 nan 0.000 0.445 536 K N 0.219 120.576 120.400 -0.072 0.000 2.057 536 K HA -0.099 4.214 4.320 -0.012 0.000 0.206 536 K C 1.940 178.513 176.600 -0.046 0.000 1.050 536 K CA 1.669 57.924 56.287 -0.054 0.000 0.935 536 K CB -0.311 32.160 32.500 -0.050 0.000 0.715 536 K HN 0.424 nan 8.250 nan 0.000 0.439 537 V N -0.340 119.541 119.914 -0.056 0.000 2.515 537 V HA -0.143 3.970 4.120 -0.012 0.000 0.250 537 V C 2.182 178.262 176.094 -0.024 0.000 1.058 537 V CA 1.890 64.168 62.300 -0.037 0.000 1.064 537 V CB -0.606 31.190 31.823 -0.046 0.000 0.675 537 V HN 0.170 nan 8.190 nan 0.000 0.461 538 K N 0.686 121.069 120.400 -0.028 0.000 2.148 538 K HA -0.157 4.156 4.320 -0.012 0.000 0.204 538 K C 2.234 178.813 176.600 -0.035 0.000 1.050 538 K CA 1.919 58.198 56.287 -0.013 0.000 0.942 538 K CB -0.526 31.980 32.500 0.011 0.000 0.724 538 K HN 0.544 nan 8.250 nan 0.000 0.446 539 Q N 0.972 120.745 119.800 -0.044 0.000 2.123 539 Q HA -0.032 4.301 4.340 -0.012 0.000 0.199 539 Q C 1.588 177.570 176.000 -0.031 0.000 0.966 539 Q CA 1.732 57.500 55.803 -0.059 0.000 0.845 539 Q CB -0.010 28.696 28.738 -0.053 0.000 0.907 539 Q HN 0.497 nan 8.270 nan 0.000 0.439 540 E N -0.555 119.638 120.200 -0.013 0.000 2.106 540 E HA -0.131 4.212 4.350 -0.012 0.000 0.192 540 E C 1.612 178.233 176.600 0.035 0.000 0.984 540 E CA 0.850 57.256 56.400 0.010 0.000 0.806 540 E CB 0.057 29.762 29.700 0.007 0.000 0.750 540 E HN 0.366 nan 8.360 nan 0.000 0.458 541 N N 0.864 119.583 118.700 0.031 0.000 2.106 541 N HA -0.121 4.612 4.740 -0.012 0.000 0.188 541 N C 1.470 177.052 175.510 0.120 0.000 1.029 541 N CA 1.047 54.135 53.050 0.064 0.000 0.848 541 N CB -0.064 38.446 38.487 0.039 0.000 1.007 541 N HN 0.096 nan 8.380 nan 0.000 0.423 542 K N 0.553 120.989 120.400 0.060 0.000 2.097 542 K HA -0.014 4.299 4.320 -0.012 0.000 0.206 542 K C 2.055 178.762 176.600 0.178 0.000 1.049 542 K CA 0.674 57.006 56.287 0.075 0.000 0.933 542 K CB -0.163 32.131 32.500 -0.343 0.000 0.717 542 K HN 0.123 nan 8.250 nan 0.000 0.442 543 L N 1.047 122.325 121.223 0.092 0.000 2.093 543 L HA -0.160 4.173 4.340 -0.012 0.000 0.208 543 L C 2.588 179.543 176.870 0.140 0.000 1.085 543 L CA 1.118 56.018 54.840 0.100 0.000 0.755 543 L CB -0.223 41.870 42.059 0.057 0.000 0.904 543 L HN 0.107 nan 8.230 nan 0.000 0.435 544 K N -0.527 119.966 120.400 0.156 0.000 2.097 544 K HA -0.168 4.145 4.320 -0.012 0.000 0.205 544 K C 2.133 178.882 176.600 0.248 0.000 1.050 544 K CA 1.307 57.697 56.287 0.171 0.000 0.938 544 K CB -0.100 32.489 32.500 0.148 0.000 0.718 544 K HN 0.125 nan 8.250 nan 0.000 0.442 545 F N 1.390 121.428 119.950 0.148 0.000 2.163 545 F HA -0.030 4.490 4.527 -0.012 0.000 0.297 545 F C 2.057 177.991 175.800 0.222 0.000 1.094 545 F CA 1.047 59.150 58.000 0.170 0.000 1.290 545 F CB -0.449 38.654 39.000 0.171 0.000 1.017 545 F HN -0.017 nan 8.300 nan 0.000 0.483 546 A N 0.158 123.089 122.820 0.186 0.000 1.978 546 A HA -0.054 4.259 4.320 -0.012 0.000 0.220 546 A C 2.367 179.949 177.584 -0.004 0.000 1.170 546 A CA 1.773 53.844 52.037 0.058 0.000 0.636 546 A CB -1.392 17.702 19.000 0.157 0.000 0.810 546 A HN 0.459 nan 8.150 nan 0.000 0.448 547 A N -1.373 121.483 122.820 0.059 0.000 1.874 547 A HA 0.008 4.321 4.320 -0.012 0.000 0.214 547 A C 2.100 179.710 177.584 0.042 0.000 1.189 547 A CA 1.404 53.476 52.037 0.059 0.000 0.615 547 A CB -0.892 18.160 19.000 0.086 0.000 0.830 547 A HN 0.753 nan 8.150 nan 0.000 0.443 548 Y N 0.291 120.547 120.300 -0.073 0.000 2.193 548 Y HA -0.239 4.305 4.550 -0.011 0.000 0.285 548 Y C 1.865 177.696 175.900 -0.115 0.000 1.166 548 Y CA 1.757 59.811 58.100 -0.077 0.000 1.181 548 Y CB -0.374 38.058 38.460 -0.048 0.000 0.976 548 Y HN 0.190 nan 8.280 nan 0.000 0.520 549 L N 0.946 122.133 121.223 -0.059 0.000 2.012 549 L HA -0.236 4.097 4.340 -0.012 0.000 0.210 549 L C 2.383 179.213 176.870 -0.067 0.000 1.073 549 L CA 2.149 56.933 54.840 -0.093 0.000 0.748 549 L CB -1.118 40.807 42.059 -0.223 0.000 0.891 549 L HN 0.363 nan 8.230 nan 0.000 0.431 550 E N -1.611 118.555 120.200 -0.057 0.000 2.152 550 E HA -0.154 4.189 4.350 -0.012 0.000 0.192 550 E C 2.285 178.840 176.600 -0.077 0.000 0.983 550 E CA 0.395 56.782 56.400 -0.022 0.000 0.818 550 E CB 0.075 29.797 29.700 0.036 0.000 0.758 550 E HN 0.360 nan 8.360 nan 0.000 0.467 551 R N 0.765 121.186 120.500 -0.132 0.000 2.096 551 R HA -0.166 4.167 4.340 -0.012 0.000 0.229 551 R C 2.000 178.137 176.300 -0.272 0.000 1.134 551 R CA 1.694 57.690 56.100 -0.174 0.000 0.917 551 R CB -0.056 30.132 30.300 -0.186 0.000 0.832 551 R HN -0.008 nan 8.270 nan 0.000 0.430 552 E N -1.711 118.191 120.200 -0.496 0.000 2.385 552 E HA -0.063 4.280 4.350 -0.012 0.000 0.194 552 E C 0.709 176.840 176.600 -0.781 0.000 1.013 552 E CA 0.793 56.774 56.400 -0.698 0.000 0.866 552 E CB 0.408 29.466 29.700 -1.070 0.000 0.832 552 E HN 0.381 nan 8.360 nan 0.000 0.500 553 Y N -0.205 119.973 120.300 -0.203 0.000 2.452 553 Y HA 0.280 4.823 4.550 -0.012 0.000 0.262 553 Y C -0.369 175.499 175.900 -0.054 0.000 1.089 553 Y CA -0.454 57.590 58.100 -0.094 0.000 1.262 553 Y CB 0.821 39.243 38.460 -0.063 0.000 1.236 553 Y HN -0.342 nan 8.280 nan 0.000 0.512 554 K N 1.062 121.493 120.400 0.053 0.000 6.236 554 K HA -0.069 4.244 4.320 -0.012 0.000 0.607 554 K C -0.641 175.997 176.600 0.064 0.000 1.570 554 K CA 0.952 57.264 56.287 0.041 0.000 1.551 554 K CB -1.529 30.982 32.500 0.019 0.000 1.812 554 K HN 0.482 nan 8.250 nan 0.000 0.338 555 V N -2.458 117.498 119.914 0.071 0.000 5.767 555 V HA 0.003 4.116 4.120 -0.012 0.000 0.590 555 V C -0.121 176.048 176.094 0.124 0.000 1.738 555 V CA -0.058 62.297 62.300 0.091 0.000 3.142 555 V CB -1.109 30.763 31.823 0.082 0.000 0.117 555 V HN 0.992 nan 8.190 nan 0.000 0.528 556 H N 0.977 120.051 119.070 0.007 0.000 2.826 556 H HA -0.068 4.481 4.556 -0.012 0.000 0.289 556 H C -0.240 175.090 175.328 0.003 0.000 0.870 556 H CA 2.034 58.087 56.048 0.009 0.000 1.234 556 H CB 0.118 29.890 29.762 0.018 0.000 1.078 556 H HN 1.462 nan 8.280 nan 0.000 0.690 557 I N 0.068 120.318 120.570 -0.534 0.000 3.004 557 I HA 0.394 4.557 4.170 -0.012 0.000 0.305 557 I C -0.772 175.105 176.117 -0.400 0.000 1.312 557 I CA -1.281 59.831 61.300 -0.313 0.000 0.992 557 I CB 2.198 40.090 38.000 -0.180 0.000 1.282 557 I HN 0.605 nan 8.210 nan 0.000 0.449 558 N N 3.887 122.533 118.700 -0.089 0.000 2.457 558 N HA 0.509 5.242 4.740 -0.012 0.000 0.250 558 N C -2.154 173.437 175.510 0.134 0.000 0.982 558 N CA -2.524 50.533 53.050 0.012 0.000 0.941 558 N CB 1.422 39.944 38.487 0.058 0.000 1.120 558 N HN 0.369 nan 8.380 nan 0.000 0.505 559 P HA 0.061 nan 4.420 nan 0.000 0.239 559 P C -0.060 177.177 177.300 -0.105 0.000 1.184 559 P CA 0.904 64.011 63.100 0.011 0.000 0.760 559 P CB 0.179 31.888 31.700 0.014 0.000 0.884 560 N N -1.095 117.595 118.700 -0.016 0.000 2.392 560 N HA -0.001 4.732 4.740 -0.012 0.000 0.177 560 N C 0.630 176.151 175.510 0.019 0.000 1.066 560 N CA -0.080 52.963 53.050 -0.012 0.000 0.895 560 N CB 0.099 38.600 38.487 0.023 0.000 0.988 560 N HN 0.136 nan 8.380 nan 0.000 0.457 561 S N 0.297 116.014 115.700 0.027 0.000 2.617 561 S HA 0.165 4.628 4.470 -0.012 0.000 0.259 561 S C 0.064 174.607 174.600 -0.095 0.000 1.301 561 S CA -0.806 57.403 58.200 0.014 0.000 0.984 561 S CB 0.886 64.123 63.200 0.062 0.000 0.954 561 S HN 0.165 nan 8.310 nan 0.000 0.572 562 L N 1.407 122.444 121.223 -0.309 0.000 2.367 562 L HA 0.375 4.708 4.340 -0.012 0.000 0.275 562 L C -1.065 175.778 176.870 -0.044 0.000 1.129 562 L CA -0.644 53.825 54.840 -0.618 0.000 0.839 562 L CB -0.017 41.443 42.059 -0.998 0.000 1.133 562 L HN 0.623 nan 8.230 nan 0.000 0.453 563 F N 3.593 123.398 119.950 -0.241 0.000 2.377 563 F HA 0.179 4.700 4.527 -0.010 0.000 0.360 563 F C 0.384 176.106 175.800 -0.131 0.000 1.147 563 F CA -1.032 56.895 58.000 -0.121 0.000 1.170 563 F CB 0.103 39.081 39.000 -0.036 0.000 1.339 563 F HN 0.405 nan 8.300 nan 0.000 0.552 564 D N 3.768 124.158 120.400 -0.017 0.000 2.411 564 D HA 0.234 4.867 4.640 -0.012 0.000 0.225 564 D C -0.858 175.369 176.300 -0.121 0.000 1.156 564 D CA 0.122 54.067 54.000 -0.092 0.000 0.874 564 D CB 0.916 41.653 40.800 -0.106 0.000 1.034 564 D HN 0.268 nan 8.370 nan 0.000 0.502 565 V N 3.041 122.866 119.914 -0.149 0.000 2.540 565 V HA 0.530 4.643 4.120 -0.012 0.000 0.302 565 V C -1.209 174.733 176.094 -0.253 0.000 1.035 565 V CA -0.705 61.492 62.300 -0.172 0.000 0.873 565 V CB 1.850 33.622 31.823 -0.085 0.000 0.992 565 V HN 0.488 nan 8.190 nan 0.000 0.428 566 Q N 4.890 124.556 119.800 -0.222 0.000 2.394 566 Q HA 0.652 4.985 4.340 -0.012 0.000 0.261 566 Q C -1.408 174.428 176.000 -0.273 0.000 1.023 566 Q CA -0.655 55.008 55.803 -0.234 0.000 0.720 566 Q CB 1.812 30.440 28.738 -0.185 0.000 1.241 566 Q HN 1.123 nan 8.270 nan 0.000 0.483 567 V N 2.242 121.984 119.914 -0.286 0.000 2.444 567 V HA 0.842 4.955 4.120 -0.012 0.000 0.294 567 V C -0.815 175.004 176.094 -0.459 0.000 1.022 567 V CA -0.546 61.406 62.300 -0.581 0.000 0.850 567 V CB 1.190 32.451 31.823 -0.937 0.000 0.992 567 V HN 0.804 nan 8.190 nan 0.000 0.426 568 K N 2.829 123.006 120.400 -0.370 0.000 2.809 568 K HA 0.443 4.756 4.320 -0.012 0.000 0.293 568 K C -1.255 175.344 176.600 -0.001 0.000 1.061 568 K CA -1.057 55.184 56.287 -0.078 0.000 0.837 568 K CB 1.005 33.465 32.500 -0.067 0.000 1.524 568 K HN 0.456 nan 8.250 nan 0.000 0.370 569 R N 0.739 121.300 120.500 0.102 0.000 2.679 569 R HA 0.205 4.538 4.340 -0.012 0.000 0.268 569 R C 0.348 176.674 176.300 0.043 0.000 1.044 569 R CA -0.380 55.792 56.100 0.120 0.000 1.105 569 R CB -0.180 30.245 30.300 0.209 0.000 0.989 569 R HN 0.470 nan 8.270 nan 0.000 0.447 570 I N 4.488 125.048 120.570 -0.017 0.000 2.436 570 I HA 0.102 4.265 4.170 -0.012 0.000 0.289 570 I C 0.790 176.771 176.117 -0.225 0.000 1.083 570 I CA 0.552 61.791 61.300 -0.102 0.000 1.372 570 I CB -0.240 37.698 38.000 -0.103 0.000 1.408 570 I HN 0.272 nan 8.210 nan 0.000 0.516 571 H N 4.255 123.241 119.070 -0.141 0.000 2.980 571 H HA 0.275 4.824 4.556 -0.012 0.000 0.367 571 H C 0.319 175.555 175.328 -0.154 0.000 1.206 571 H CA -0.487 55.519 56.048 -0.072 0.000 1.126 571 H CB 2.128 31.785 29.762 -0.173 0.000 1.838 571 H HN 0.500 nan 8.280 nan 0.000 0.552 572 E N 0.775 121.072 120.200 0.161 0.000 2.216 572 E HA -0.136 4.207 4.350 -0.012 0.000 0.192 572 E C 1.261 177.643 176.600 -0.364 0.000 0.988 572 E CA 0.796 57.223 56.400 0.046 0.000 0.834 572 E CB 0.165 30.092 29.700 0.379 0.000 0.772 572 E HN 0.509 nan 8.360 nan 0.000 0.479 573 Y N 0.275 120.097 120.300 -0.797 0.000 2.516 573 Y HA 0.107 4.650 4.550 -0.012 0.000 0.291 573 Y C 1.483 177.114 175.900 -0.448 0.000 1.131 573 Y CA 0.455 57.883 58.100 -1.119 0.000 1.281 573 Y CB 0.184 37.986 38.460 -1.096 0.000 1.013 573 Y HN -0.224 nan 8.280 nan 0.000 0.554 574 K N 1.052 121.001 120.400 -0.750 0.000 2.418 574 K HA 0.064 4.377 4.320 -0.012 0.000 0.195 574 K C 0.148 176.570 176.600 -0.296 0.000 1.035 574 K CA 0.508 56.455 56.287 -0.568 0.000 1.003 574 K CB -0.074 32.120 32.500 -0.510 0.000 0.793 574 K HN 0.371 nan 8.250 nan 0.000 0.494 575 R N 0.933 121.291 120.500 -0.236 0.000 3.336 575 R HA -0.190 4.143 4.340 -0.012 0.000 0.260 575 R C 0.601 176.824 176.300 -0.129 0.000 1.032 575 R CA 0.196 56.211 56.100 -0.143 0.000 0.693 575 R CB -1.942 28.285 30.300 -0.120 0.000 1.134 575 R HN 0.218 nan 8.270 nan 0.000 0.433 576 Q N 0.188 119.913 119.800 -0.126 0.000 2.226 576 Q HA -0.047 4.286 4.340 -0.012 0.000 0.204 576 Q C 1.821 177.774 176.000 -0.077 0.000 0.975 576 Q CA 1.399 57.141 55.803 -0.103 0.000 0.866 576 Q CB 0.050 28.731 28.738 -0.095 0.000 0.915 576 Q HN 0.603 nan 8.270 nan 0.000 0.440 577 L N -0.575 120.605 121.223 -0.071 0.000 2.083 577 L HA -0.184 4.149 4.340 -0.012 0.000 0.209 577 L C 1.974 178.848 176.870 0.007 0.000 1.083 577 L CA 0.563 55.376 54.840 -0.045 0.000 0.752 577 L CB -0.295 41.747 42.059 -0.029 0.000 0.899 577 L HN 0.317 nan 8.230 nan 0.000 0.433 578 L N -0.187 121.031 121.223 -0.008 0.000 2.093 578 L HA -0.208 4.125 4.340 -0.012 0.000 0.208 578 L C 1.973 178.894 176.870 0.085 0.000 1.085 578 L CA 1.826 56.678 54.840 0.020 0.000 0.755 578 L CB -0.773 41.201 42.059 -0.142 0.000 0.904 578 L HN 0.269 nan 8.230 nan 0.000 0.435 579 N N -1.734 116.985 118.700 0.030 0.000 2.120 579 N HA -0.227 4.506 4.740 -0.012 0.000 0.188 579 N C 1.959 177.552 175.510 0.137 0.000 1.024 579 N CA 1.576 54.716 53.050 0.149 0.000 0.852 579 N CB -0.142 38.367 38.487 0.037 0.000 1.003 579 N HN 0.482 nan 8.380 nan 0.000 0.424 580 C N 0.612 119.931 119.300 0.032 0.000 2.413 580 C HA -0.092 4.361 4.460 -0.012 0.000 0.276 580 C C 2.586 177.582 174.990 0.010 0.000 1.236 580 C CA 0.432 59.425 59.018 -0.041 0.000 1.735 580 C CB -1.286 26.378 27.740 -0.127 0.000 2.031 580 C HN 0.518 nan 8.230 nan 0.000 0.474 581 L N -0.257 121.031 121.223 0.109 0.000 2.079 581 L HA -0.227 4.106 4.340 -0.012 0.000 0.210 581 L C 2.732 179.764 176.870 0.270 0.000 1.081 581 L CA 1.942 56.905 54.840 0.206 0.000 0.752 581 L CB -1.082 41.187 42.059 0.349 0.000 0.896 581 L HN 0.618 nan 8.230 nan 0.000 0.433 582 H N -0.218 118.953 119.070 0.167 0.000 2.357 582 H HA -0.114 4.435 4.556 -0.012 0.000 0.301 582 H C 2.248 177.569 175.328 -0.012 0.000 1.082 582 H CA 1.676 57.739 56.048 0.026 0.000 1.342 582 H CB 0.355 30.065 29.762 -0.088 0.000 1.389 582 H HN 0.093 nan 8.280 nan 0.000 0.511 583 V N 1.513 121.351 119.914 -0.126 0.000 2.332 583 V HA -0.266 3.847 4.120 -0.012 0.000 0.248 583 V C 2.797 178.830 176.094 -0.103 0.000 1.055 583 V CA 1.855 64.042 62.300 -0.188 0.000 1.038 583 V CB -0.487 31.275 31.823 -0.102 0.000 0.651 583 V HN 0.384 nan 8.190 nan 0.000 0.450 584 I N -0.372 120.180 120.570 -0.029 0.000 2.394 584 I HA -0.206 3.957 4.170 -0.012 0.000 0.251 584 I C 2.470 178.664 176.117 0.128 0.000 1.136 584 I CA 1.573 62.934 61.300 0.102 0.000 1.425 584 I CB -0.533 37.512 38.000 0.076 0.000 1.079 584 I HN 0.317 nan 8.210 nan 0.000 0.425 585 T N 1.052 115.628 114.554 0.038 0.000 2.708 585 T HA -0.135 4.208 4.350 -0.012 0.000 0.266 585 T C 1.862 176.525 174.700 -0.062 0.000 1.037 585 T CA 1.142 63.254 62.100 0.019 0.000 1.146 585 T CB -0.203 68.691 68.868 0.044 0.000 0.865 585 T HN 0.072 nan 8.240 nan 0.000 0.435 586 L N 0.242 121.355 121.223 -0.183 0.000 2.042 586 L HA -0.045 4.288 4.340 -0.012 0.000 0.210 586 L C 2.099 178.932 176.870 -0.060 0.000 1.076 586 L CA 1.570 56.299 54.840 -0.186 0.000 0.749 586 L CB -1.123 40.756 42.059 -0.300 0.000 0.893 586 L HN 0.326 nan 8.230 nan 0.000 0.432 587 Y N 0.664 120.906 120.300 -0.096 0.000 2.097 587 Y HA -0.279 4.264 4.550 -0.012 0.000 0.282 587 Y C 2.474 178.358 175.900 -0.027 0.000 1.152 587 Y CA 1.918 60.001 58.100 -0.029 0.000 1.136 587 Y CB -0.373 38.121 38.460 0.057 0.000 0.975 587 Y HN 0.281 nan 8.280 nan 0.000 0.498 588 N N 0.373 119.034 118.700 -0.065 0.000 2.223 588 N HA -0.148 4.585 4.740 -0.012 0.000 0.185 588 N C 1.880 177.283 175.510 -0.177 0.000 1.016 588 N CA 1.471 54.419 53.050 -0.169 0.000 0.863 588 N CB -0.350 38.103 38.487 -0.056 0.000 0.983 588 N HN 0.453 nan 8.380 nan 0.000 0.429 589 R N 0.186 120.607 120.500 -0.132 0.000 2.115 589 R HA 0.131 4.464 4.340 -0.012 0.000 0.226 589 R C 2.142 178.359 176.300 -0.139 0.000 1.100 589 R CA 0.582 56.612 56.100 -0.117 0.000 0.980 589 R CB -0.126 30.116 30.300 -0.097 0.000 0.875 589 R HN 0.220 nan 8.270 nan 0.000 0.445 590 I N 0.853 121.318 120.570 -0.174 0.000 2.252 590 I HA -0.236 3.927 4.170 -0.012 0.000 0.245 590 I C 1.951 177.952 176.117 -0.194 0.000 1.102 590 I CA 1.118 62.315 61.300 -0.170 0.000 1.385 590 I CB -0.046 37.854 38.000 -0.166 0.000 1.064 590 I HN -0.008 nan 8.210 nan 0.000 0.414 591 K N 0.719 120.942 120.400 -0.294 0.000 2.283 591 K HA -0.176 4.137 4.320 -0.012 0.000 0.202 591 K C 1.975 178.475 176.600 -0.167 0.000 1.048 591 K CA 0.932 57.058 56.287 -0.269 0.000 0.948 591 K CB -0.188 32.071 32.500 -0.402 0.000 0.742 591 K HN 0.141 nan 8.250 nan 0.000 0.458 592 K N 1.919 122.228 120.400 -0.150 0.000 2.044 592 K HA -0.069 4.244 4.320 -0.012 0.000 0.204 592 K C 0.132 176.685 176.600 -0.079 0.000 1.049 592 K CA 1.239 57.463 56.287 -0.104 0.000 0.945 592 K CB 0.318 32.761 32.500 -0.096 0.000 0.724 592 K HN 0.077 nan 8.250 nan 0.000 0.440 593 E N 0.622 120.775 120.200 -0.078 0.000 3.108 593 E HA 0.180 4.523 4.350 -0.012 0.000 0.228 593 E C -2.348 174.218 176.600 -0.057 0.000 1.176 593 E CA -1.791 54.576 56.400 -0.055 0.000 0.881 593 E CB 1.563 31.238 29.700 -0.043 0.000 1.354 593 E HN 0.093 nan 8.360 nan 0.000 0.400 594 P HA -0.177 nan 4.420 nan 0.000 0.215 594 P C 0.367 177.651 177.300 -0.027 0.000 1.157 594 P CA 1.304 64.374 63.100 -0.051 0.000 0.874 594 P CB 0.127 31.801 31.700 -0.043 0.000 0.790 595 N N -0.965 117.728 118.700 -0.012 0.000 2.362 595 N HA 0.001 4.734 4.740 -0.012 0.000 0.211 595 N C 0.488 176.015 175.510 0.029 0.000 1.170 595 N CA 0.099 53.155 53.050 0.010 0.000 0.828 595 N CB -0.134 38.359 38.487 0.010 0.000 1.034 595 N HN 0.086 nan 8.380 nan 0.000 0.475 596 K N 1.033 121.443 120.400 0.018 0.000 2.159 596 K HA 0.165 4.478 4.320 -0.012 0.000 0.266 596 K C -1.008 175.632 176.600 0.066 0.000 0.975 596 K CA -0.628 55.684 56.287 0.042 0.000 0.865 596 K CB 0.722 33.227 32.500 0.008 0.000 1.087 596 K HN -0.055 nan 8.250 nan 0.000 0.446 597 F N 4.652 124.590 119.950 -0.021 0.000 2.443 597 F HA 0.235 4.755 4.527 -0.012 0.000 0.353 597 F C -0.417 175.369 175.800 -0.022 0.000 1.101 597 F CA -0.053 57.935 58.000 -0.019 0.000 1.226 597 F CB 0.678 39.669 39.000 -0.015 0.000 1.140 597 F HN 0.200 nan 8.300 nan 0.000 0.557 598 V N 4.006 123.309 119.914 -1.018 0.000 2.971 598 V HA 0.532 4.645 4.120 -0.012 0.000 0.309 598 V C -0.860 174.619 176.094 -1.025 0.000 1.130 598 V CA -1.226 60.633 62.300 -0.735 0.000 0.964 598 V CB 0.960 32.562 31.823 -0.369 0.000 1.029 598 V HN 0.561 nan 8.190 nan 0.000 0.427 599 V N 4.616 124.209 119.914 -0.537 0.000 2.485 599 V HA 0.212 4.325 4.120 -0.012 0.000 0.287 599 V C -1.792 174.141 176.094 -0.268 0.000 1.022 599 V CA -0.479 61.639 62.300 -0.304 0.000 1.067 599 V CB 0.465 32.231 31.823 -0.095 0.000 0.967 599 V HN 0.920 nan 8.190 nan 0.000 0.479 600 P HA 0.367 nan 4.420 nan 0.000 0.269 600 P C -0.495 176.722 177.300 -0.138 0.000 1.209 600 P CA -0.143 62.874 63.100 -0.139 0.000 0.776 600 P CB 0.556 32.222 31.700 -0.057 0.000 0.876 601 R N 0.556 120.988 120.500 -0.113 0.000 2.651 601 R HA 0.561 4.894 4.340 -0.012 0.000 0.278 601 R C -0.954 175.308 176.300 -0.062 0.000 1.010 601 R CA -0.586 55.449 56.100 -0.109 0.000 0.896 601 R CB 1.971 32.187 30.300 -0.140 0.000 1.211 601 R HN 0.285 nan 8.270 nan 0.000 0.456 602 T N 2.039 116.573 114.554 -0.034 0.000 2.842 602 T HA 0.219 4.562 4.350 -0.012 0.000 0.308 602 T C -0.753 173.860 174.700 -0.145 0.000 1.041 602 T CA -0.562 61.477 62.100 -0.101 0.000 0.964 602 T CB 1.117 69.869 68.868 -0.194 0.000 0.972 602 T HN 0.343 nan 8.240 nan 0.000 0.460 603 V N 5.066 124.901 119.914 -0.131 0.000 2.350 603 V HA 0.673 4.786 4.120 -0.012 0.000 0.276 603 V C -0.518 175.488 176.094 -0.146 0.000 1.028 603 V CA -0.682 61.542 62.300 -0.125 0.000 0.860 603 V CB 0.631 32.402 31.823 -0.087 0.000 0.990 603 V HN 0.864 nan 8.190 nan 0.000 0.453 604 M N 7.513 127.011 119.600 -0.171 0.000 2.167 604 M HA 0.588 5.061 4.480 -0.012 0.000 0.333 604 M C -0.915 175.262 176.300 -0.205 0.000 1.030 604 M CA -0.193 54.996 55.300 -0.185 0.000 0.963 604 M CB 1.869 34.353 32.600 -0.193 0.000 1.589 604 M HN 0.524 nan 8.290 nan 0.000 0.431 605 I N 2.284 122.717 120.570 -0.229 0.000 2.389 605 I HA 0.729 4.892 4.170 -0.012 0.000 0.288 605 I C 0.176 175.945 176.117 -0.579 0.000 0.999 605 I CA -0.500 60.637 61.300 -0.271 0.000 1.129 605 I CB 2.014 39.950 38.000 -0.107 0.000 1.288 605 I HN 0.793 nan 8.210 nan 0.000 0.444 606 G N 3.286 111.722 108.800 -0.607 0.000 2.612 606 G HA2 0.851 4.804 3.960 -0.012 0.000 0.298 606 G HA3 0.851 4.804 3.960 -0.012 0.000 0.298 606 G C -0.927 173.665 174.900 -0.513 0.000 1.336 606 G CA -0.854 43.757 45.100 -0.815 0.000 0.953 606 G HN 0.933 nan 8.290 nan 0.000 0.482 607 G N -0.327 108.323 108.800 -0.249 0.000 2.347 607 G HA2 0.430 4.383 3.960 -0.012 0.000 0.303 607 G HA3 0.430 4.383 3.960 -0.012 0.000 0.303 607 G C -1.540 173.477 174.900 0.195 0.000 1.481 607 G CA -1.001 44.114 45.100 0.024 0.000 0.914 607 G HN 0.605 nan 8.290 nan 0.000 0.638 608 K N -0.240 120.270 120.400 0.183 0.000 2.138 608 K HA 0.770 5.083 4.320 -0.012 0.000 0.263 608 K C 0.113 176.828 176.600 0.191 0.000 0.965 608 K CA -0.286 56.124 56.287 0.206 0.000 0.868 608 K CB 2.030 34.559 32.500 0.047 0.000 1.083 608 K HN 0.881 nan 8.250 nan 0.000 0.443 609 A N 1.644 124.616 122.820 0.254 0.000 2.317 609 A HA 0.673 4.986 4.320 -0.012 0.000 0.327 609 A C -0.540 177.205 177.584 0.269 0.000 1.178 609 A CA -0.720 51.404 52.037 0.145 0.000 0.817 609 A CB 1.094 20.110 19.000 0.028 0.000 1.189 609 A HN 0.784 nan 8.150 nan 0.000 0.489 610 A N 3.647 126.596 122.820 0.215 0.000 2.511 610 A HA 0.477 4.790 4.320 -0.012 0.000 0.242 610 A C -1.365 176.282 177.584 0.105 0.000 1.069 610 A CA -0.819 51.348 52.037 0.217 0.000 0.763 610 A CB -0.352 18.735 19.000 0.145 0.000 1.001 610 A HN 0.600 nan 8.150 nan 0.000 0.498 611 P HA -0.159 nan 4.420 nan 0.000 0.217 611 P C 1.348 178.627 177.300 -0.035 0.000 1.148 611 P CA 2.051 65.076 63.100 -0.125 0.000 0.834 611 P CB 0.193 31.761 31.700 -0.221 0.000 0.783 612 G N -3.302 105.500 108.800 0.004 0.000 3.042 612 G HA2 -0.114 3.839 3.960 -0.012 0.000 0.212 612 G HA3 -0.114 3.839 3.960 -0.012 0.000 0.212 612 G C -0.099 174.839 174.900 0.063 0.000 1.166 612 G CA -0.028 45.082 45.100 0.016 0.000 0.767 612 G HN 0.164 nan 8.290 nan 0.000 0.546 613 Y N 2.465 122.705 120.300 -0.100 0.000 2.616 613 Y HA 0.164 4.707 4.550 -0.012 0.000 0.350 613 Y C 1.511 177.397 175.900 -0.023 0.000 1.119 613 Y CA -1.659 56.371 58.100 -0.117 0.000 1.467 613 Y CB -0.584 37.771 38.460 -0.176 0.000 1.287 613 Y HN 0.354 nan 8.280 nan 0.000 0.504 614 H N 3.864 123.054 119.070 0.199 0.000 2.321 614 H HA -0.196 4.353 4.556 -0.011 0.000 0.300 614 H C 1.741 177.096 175.328 0.045 0.000 1.087 614 H CA 2.144 58.251 56.048 0.097 0.000 1.319 614 H CB 0.390 30.203 29.762 0.087 0.000 1.379 614 H HN 0.621 nan 8.280 nan 0.000 0.501 615 M N 1.194 120.759 119.600 -0.058 0.000 2.080 615 M HA -0.098 4.375 4.480 -0.012 0.000 0.260 615 M C 2.598 178.639 176.300 -0.433 0.000 1.068 615 M CA 1.897 57.075 55.300 -0.204 0.000 1.109 615 M CB -0.946 31.675 32.600 0.035 0.000 1.342 615 M HN 0.349 nan 8.290 nan 0.000 0.405 616 A N -0.418 121.892 122.820 -0.850 0.000 1.940 616 A HA -0.218 4.095 4.320 -0.012 0.000 0.219 616 A C 2.198 179.570 177.584 -0.352 0.000 1.176 616 A CA 2.012 53.600 52.037 -0.748 0.000 0.631 616 A CB -0.700 17.675 19.000 -1.042 0.000 0.814 616 A HN 0.610 nan 8.150 nan 0.000 0.446 617 K N -1.279 118.970 120.400 -0.252 0.000 2.217 617 K HA 0.009 4.322 4.320 -0.012 0.000 0.202 617 K C 1.798 178.357 176.600 -0.069 0.000 1.051 617 K CA 0.984 57.215 56.287 -0.092 0.000 0.952 617 K CB -0.154 32.353 32.500 0.012 0.000 0.736 617 K HN 0.335 nan 8.250 nan 0.000 0.453 618 M N 0.428 119.930 119.600 -0.164 0.000 2.254 618 M HA -0.025 4.448 4.480 -0.012 0.000 0.265 618 M C 2.006 178.247 176.300 -0.099 0.000 1.066 618 M CA 1.295 56.543 55.300 -0.087 0.000 1.123 618 M CB -0.429 32.082 32.600 -0.149 0.000 1.388 618 M HN 0.109 nan 8.290 nan 0.000 0.425 619 I N -0.382 120.088 120.570 -0.167 0.000 2.315 619 I HA -0.271 3.892 4.170 -0.012 0.000 0.248 619 I C 2.208 178.195 176.117 -0.217 0.000 1.117 619 I CA 0.941 62.133 61.300 -0.180 0.000 1.404 619 I CB -0.257 37.635 38.000 -0.179 0.000 1.071 619 I HN 0.148 nan 8.210 nan 0.000 0.419 620 I N 0.768 121.189 120.570 -0.247 0.000 2.286 620 I HA -0.287 3.876 4.170 -0.012 0.000 0.248 620 I C 2.522 178.350 176.117 -0.481 0.000 1.115 620 I CA 1.182 62.238 61.300 -0.406 0.000 1.392 620 I CB -0.226 37.507 38.000 -0.446 0.000 1.065 620 I HN 0.151 nan 8.210 nan 0.000 0.418 621 K N 1.375 121.517 120.400 -0.430 0.000 2.155 621 K HA -0.100 4.213 4.320 -0.012 0.000 0.203 621 K C 1.982 178.421 176.600 -0.269 0.000 1.052 621 K CA 1.248 57.203 56.287 -0.553 0.000 0.948 621 K CB -0.334 31.573 32.500 -0.989 0.000 0.728 621 K HN 0.229 nan 8.250 nan 0.000 0.448 622 L N 0.322 121.406 121.223 -0.231 0.000 2.027 622 L HA -0.100 4.233 4.340 -0.012 0.000 0.206 622 L C 2.067 178.697 176.870 -0.400 0.000 1.074 622 L CA 1.447 55.997 54.840 -0.483 0.000 0.745 622 L CB -0.269 41.430 42.059 -0.601 0.000 0.898 622 L HN 0.239 nan 8.230 nan 0.000 0.433 623 I N 0.061 120.450 120.570 -0.303 0.000 2.127 623 I HA -0.364 3.799 4.170 -0.012 0.000 0.241 623 I C 2.652 178.654 176.117 -0.191 0.000 1.075 623 I CA 2.088 63.262 61.300 -0.211 0.000 1.334 623 I CB -0.666 37.288 38.000 -0.076 0.000 1.040 623 I HN 0.421 nan 8.210 nan 0.000 0.405 624 T N -0.607 113.808 114.554 -0.232 0.000 2.788 624 T HA -0.136 4.207 4.350 -0.012 0.000 0.268 624 T C 1.971 176.591 174.700 -0.133 0.000 1.044 624 T CA 1.050 63.043 62.100 -0.179 0.000 1.139 624 T CB -0.571 68.145 68.868 -0.253 0.000 0.867 624 T HN 0.366 nan 8.240 nan 0.000 0.454 625 A N 1.510 124.245 122.820 -0.141 0.000 1.902 625 A HA 0.097 4.410 4.320 -0.012 0.000 0.217 625 A C 2.385 179.958 177.584 -0.019 0.000 1.181 625 A CA 1.445 53.464 52.037 -0.031 0.000 0.623 625 A CB -0.846 18.211 19.000 0.095 0.000 0.818 625 A HN 0.599 nan 8.150 nan 0.000 0.443 626 I N -0.361 120.095 120.570 -0.190 0.000 2.252 626 I HA -0.182 3.982 4.170 -0.012 0.000 0.245 626 I C 2.675 178.735 176.117 -0.094 0.000 1.102 626 I CA 1.141 62.318 61.300 -0.205 0.000 1.385 626 I CB -0.515 37.250 38.000 -0.392 0.000 1.064 626 I HN 0.386 nan 8.210 nan 0.000 0.414 627 G N 0.149 108.884 108.800 -0.108 0.000 2.432 627 G HA2 -0.236 3.717 3.960 -0.012 0.000 0.219 627 G HA3 -0.236 3.717 3.960 -0.012 0.000 0.219 627 G C 1.250 176.091 174.900 -0.098 0.000 1.135 627 G CA 0.817 45.854 45.100 -0.105 0.000 0.767 627 G HN 0.275 nan 8.290 nan 0.000 0.550 628 D N 0.088 120.477 120.400 -0.018 0.000 2.117 628 D HA -0.075 4.558 4.640 -0.012 0.000 0.197 628 D C 2.724 179.088 176.300 0.106 0.000 0.987 628 D CA 0.639 54.694 54.000 0.092 0.000 0.829 628 D CB -0.207 40.637 40.800 0.073 0.000 0.961 628 D HN 0.231 nan 8.370 nan 0.000 0.460 629 V N 0.239 120.149 119.914 -0.006 0.000 2.273 629 V HA -0.146 3.967 4.120 -0.012 0.000 0.242 629 V C 2.613 178.621 176.094 -0.143 0.000 1.035 629 V CA 0.810 63.047 62.300 -0.105 0.000 1.013 629 V CB -0.339 31.348 31.823 -0.228 0.000 0.652 629 V HN 0.022 nan 8.190 nan 0.000 0.452 630 V N 0.985 120.762 119.914 -0.229 0.000 2.295 630 V HA -0.235 3.878 4.120 -0.012 0.000 0.246 630 V C 2.152 178.188 176.094 -0.098 0.000 1.049 630 V CA 2.163 64.343 62.300 -0.199 0.000 1.024 630 V CB -0.910 30.800 31.823 -0.188 0.000 0.648 630 V HN 0.579 nan 8.190 nan 0.000 0.447 631 N N -0.405 118.162 118.700 -0.222 0.000 2.573 631 N HA -0.101 4.632 4.740 -0.012 0.000 0.187 631 N C 1.122 176.359 175.510 -0.455 0.000 1.107 631 N CA 0.958 53.798 53.050 -0.350 0.000 0.918 631 N CB -0.321 37.871 38.487 -0.491 0.000 0.966 631 N HN 0.711 nan 8.380 nan 0.000 0.448 632 H N -1.641 117.437 119.070 0.014 0.000 2.785 632 H HA 0.201 4.750 4.556 -0.011 0.000 0.268 632 H C -0.571 174.778 175.328 0.036 0.000 1.153 632 H CA -0.516 55.542 56.048 0.017 0.000 1.111 632 H CB 0.716 30.476 29.762 -0.003 0.000 1.633 632 H HN -0.038 nan 8.280 nan 0.000 0.576 633 D N 1.736 122.216 120.400 0.133 0.000 2.339 633 D HA 0.051 4.684 4.640 -0.012 0.000 0.241 633 D C -1.638 174.727 176.300 0.108 0.000 1.183 633 D CA -2.123 51.969 54.000 0.153 0.000 0.859 633 D CB 1.731 42.695 40.800 0.273 0.000 1.067 633 D HN 0.117 nan 8.370 nan 0.000 0.484 634 P HA -0.115 nan 4.420 nan 0.000 0.218 634 P C 1.586 178.913 177.300 0.045 0.000 1.149 634 P CA 0.364 63.500 63.100 0.059 0.000 0.817 634 P CB 0.429 32.157 31.700 0.048 0.000 0.785 635 V N -0.557 119.382 119.914 0.041 0.000 2.515 635 V HA -0.161 3.952 4.120 -0.012 0.000 0.250 635 V C 2.440 178.541 176.094 0.010 0.000 1.058 635 V CA 1.464 63.773 62.300 0.016 0.000 1.064 635 V CB -0.976 30.843 31.823 -0.007 0.000 0.675 635 V HN -0.018 nan 8.190 nan 0.000 0.461 636 V N -0.263 119.674 119.914 0.038 0.000 2.453 636 V HA 0.098 4.211 4.120 -0.012 0.000 0.247 636 V C 1.816 177.924 176.094 0.023 0.000 1.048 636 V CA 1.498 63.820 62.300 0.036 0.000 1.049 636 V CB -1.053 30.835 31.823 0.109 0.000 0.672 636 V HN 0.734 nan 8.190 nan 0.000 0.457 637 G N 1.469 110.290 108.800 0.034 0.000 2.583 637 G HA2 -0.416 3.537 3.960 -0.012 0.000 0.292 637 G HA3 -0.416 3.537 3.960 -0.012 0.000 0.292 637 G C 0.300 175.218 174.900 0.029 0.000 1.203 637 G CA 0.660 45.779 45.100 0.032 0.000 0.987 637 G HN 0.730 nan 8.290 nan 0.000 0.554 638 D N -0.126 120.291 120.400 0.029 0.000 2.368 638 D HA 0.325 4.958 4.640 -0.012 0.000 0.218 638 D C 1.852 178.155 176.300 0.005 0.000 1.112 638 D CA 0.208 54.227 54.000 0.031 0.000 0.834 638 D CB 0.118 40.952 40.800 0.057 0.000 0.953 638 D HN 0.566 nan 8.370 nan 0.000 0.505 639 R N -0.588 119.901 120.500 -0.018 0.000 2.240 639 R HA 0.293 4.626 4.340 -0.012 0.000 0.203 639 R C -0.224 176.036 176.300 -0.067 0.000 1.011 639 R CA 0.271 56.333 56.100 -0.063 0.000 1.007 639 R CB 0.189 30.428 30.300 -0.101 0.000 0.911 639 R HN 0.167 nan 8.270 nan 0.000 0.468 640 L N 0.595 121.796 121.223 -0.037 0.000 2.614 640 L HA 0.365 4.698 4.340 -0.012 0.000 0.264 640 L C -1.656 175.192 176.870 -0.037 0.000 0.940 640 L CA -0.494 54.321 54.840 -0.041 0.000 0.903 640 L CB 1.583 43.628 42.059 -0.024 0.000 1.306 640 L HN -0.128 nan 8.230 nan 0.000 0.410 641 R N 4.078 124.542 120.500 -0.059 0.000 2.621 641 R HA 0.772 5.105 4.340 -0.012 0.000 0.292 641 R C -1.489 174.754 176.300 -0.094 0.000 0.969 641 R CA -0.866 55.188 56.100 -0.077 0.000 0.887 641 R CB 2.395 32.649 30.300 -0.077 0.000 1.180 641 R HN 0.377 nan 8.270 nan 0.000 0.450 642 V N 4.733 124.586 119.914 -0.100 0.000 2.350 642 V HA 0.449 4.563 4.120 -0.012 0.000 0.285 642 V C -0.091 175.954 176.094 -0.082 0.000 1.014 642 V CA -0.613 61.629 62.300 -0.096 0.000 0.831 642 V CB 1.382 33.144 31.823 -0.100 0.000 1.000 642 V HN 0.578 nan 8.190 nan 0.000 0.433 643 I N 4.749 125.268 120.570 -0.084 0.000 2.433 643 I HA 0.460 4.623 4.170 -0.012 0.000 0.292 643 I C -0.771 175.322 176.117 -0.041 0.000 1.001 643 I CA -0.472 60.790 61.300 -0.063 0.000 1.119 643 I CB 2.042 39.979 38.000 -0.104 0.000 1.289 643 I HN 0.563 nan 8.210 nan 0.000 0.438 644 F N 7.590 127.470 119.950 -0.117 0.000 2.391 644 F HA 0.445 4.966 4.527 -0.011 0.000 0.359 644 F C -0.710 175.019 175.800 -0.118 0.000 1.122 644 F CA -0.752 57.180 58.000 -0.114 0.000 1.120 644 F CB 0.629 39.566 39.000 -0.105 0.000 1.142 644 F HN 0.123 nan 8.300 nan 0.000 0.483 645 L N 5.953 126.747 121.223 -0.714 0.000 2.407 645 L HA 0.138 4.471 4.340 -0.012 0.000 0.282 645 L C 0.433 177.019 176.870 -0.474 0.000 1.110 645 L CA 0.170 54.723 54.840 -0.479 0.000 0.863 645 L CB -0.226 41.637 42.059 -0.326 0.000 1.207 645 L HN 0.628 nan 8.230 nan 0.000 0.454 646 E N 3.039 123.089 120.200 -0.251 0.000 2.392 646 E HA -0.060 4.283 4.350 -0.012 0.000 0.264 646 E C 0.589 177.230 176.600 0.068 0.000 1.024 646 E CA -0.127 56.270 56.400 -0.005 0.000 0.903 646 E CB 0.282 29.960 29.700 -0.036 0.000 0.963 646 E HN 0.518 nan 8.360 nan 0.000 0.432 647 N N 2.395 121.205 118.700 0.183 0.000 2.714 647 N HA -0.291 4.442 4.740 -0.012 0.000 0.252 647 N C -1.463 174.138 175.510 0.150 0.000 1.014 647 N CA 0.546 53.703 53.050 0.179 0.000 0.735 647 N CB -1.393 37.220 38.487 0.209 0.000 0.924 647 N HN 0.436 nan 8.380 nan 0.000 0.540 648 Y N 1.350 121.648 120.300 -0.003 0.000 2.721 648 Y HA 0.089 4.632 4.550 -0.012 0.000 0.329 648 Y C 1.147 177.053 175.900 0.011 0.000 1.211 648 Y CA 0.555 58.637 58.100 -0.029 0.000 1.512 648 Y CB 0.255 38.666 38.460 -0.081 0.000 1.249 648 Y HN 0.360 nan 8.280 nan 0.000 0.549 649 R N 2.525 122.707 120.500 -0.530 0.000 2.781 649 R HA 0.501 4.834 4.340 -0.012 0.000 0.268 649 R C -0.155 175.797 176.300 -0.579 0.000 1.047 649 R CA -0.641 55.194 56.100 -0.443 0.000 0.925 649 R CB 0.353 30.584 30.300 -0.114 0.000 1.246 649 R HN 0.345 nan 8.270 nan 0.000 0.456 650 V N 1.090 120.705 119.914 -0.498 0.000 2.252 650 V HA -0.315 3.798 4.120 -0.012 0.000 0.249 650 V C 2.592 178.570 176.094 -0.194 0.000 1.056 650 V CA 2.949 65.031 62.300 -0.363 0.000 1.022 650 V CB -0.836 30.759 31.823 -0.380 0.000 0.641 650 V HN 0.959 nan 8.190 nan 0.000 0.445 651 S N -0.094 115.510 115.700 -0.161 0.000 2.419 651 S HA -0.176 4.287 4.470 -0.012 0.000 0.233 651 S C 1.897 176.450 174.600 -0.077 0.000 1.016 651 S CA 1.710 59.846 58.200 -0.106 0.000 0.974 651 S CB -0.484 62.680 63.200 -0.060 0.000 0.786 651 S HN 0.392 nan 8.310 nan 0.000 0.492 652 L N 1.800 122.974 121.223 -0.082 0.000 2.179 652 L HA 0.393 4.726 4.340 -0.012 0.000 0.208 652 L C 2.613 179.467 176.870 -0.028 0.000 1.096 652 L CA 1.297 56.122 54.840 -0.025 0.000 0.779 652 L CB -1.350 40.741 42.059 0.055 0.000 0.922 652 L HN 0.341 nan 8.230 nan 0.000 0.443 653 A N -0.585 122.192 122.820 -0.072 0.000 1.933 653 A HA -0.209 4.104 4.320 -0.012 0.000 0.218 653 A C 2.077 179.698 177.584 0.060 0.000 1.175 653 A CA 1.684 53.742 52.037 0.035 0.000 0.628 653 A CB -0.574 18.414 19.000 -0.020 0.000 0.814 653 A HN 0.603 nan 8.150 nan 0.000 0.444 654 E N -0.340 119.902 120.200 0.070 0.000 2.338 654 E HA -0.149 4.194 4.350 -0.012 0.000 0.197 654 E C 1.746 178.315 176.600 -0.052 0.000 1.007 654 E CA 1.058 57.475 56.400 0.028 0.000 0.849 654 E CB -0.045 29.590 29.700 -0.108 0.000 0.774 654 E HN 0.628 nan 8.360 nan 0.000 0.506 655 K N 0.049 120.388 120.400 -0.101 0.000 2.214 655 K HA -0.010 4.303 4.320 -0.012 0.000 0.201 655 K C 2.215 178.588 176.600 -0.378 0.000 1.049 655 K CA 0.866 57.063 56.287 -0.149 0.000 0.978 655 K CB 0.336 32.751 32.500 -0.141 0.000 0.842 655 K HN -0.002 nan 8.250 nan 0.000 0.474 656 V N 0.714 120.314 119.914 -0.523 0.000 2.407 656 V HA -0.140 3.973 4.120 -0.012 0.000 0.245 656 V C 2.190 178.038 176.094 -0.409 0.000 1.041 656 V CA 1.177 62.999 62.300 -0.796 0.000 1.040 656 V CB -0.750 30.743 31.823 -0.549 0.000 0.671 656 V HN 0.172 nan 8.190 nan 0.000 0.455 657 I N 0.970 121.333 120.570 -0.345 0.000 2.163 657 I HA -0.145 4.018 4.170 -0.012 0.000 0.243 657 I C -0.127 175.870 176.117 -0.200 0.000 1.085 657 I CA 1.817 62.844 61.300 -0.455 0.000 1.347 657 I CB -1.630 35.977 38.000 -0.653 0.000 1.044 657 I HN 0.371 nan 8.210 nan 0.000 0.408 658 P HA -0.076 nan 4.420 nan 0.000 0.226 658 P C 0.781 178.077 177.300 -0.006 0.000 1.153 658 P CA 1.100 64.173 63.100 -0.044 0.000 0.777 658 P CB 0.066 31.748 31.700 -0.029 0.000 0.794 659 A N -1.358 121.444 122.820 -0.030 0.000 2.348 659 A HA 0.564 4.877 4.320 -0.012 0.000 0.224 659 A C 1.037 178.735 177.584 0.189 0.000 1.227 659 A CA -0.044 52.035 52.037 0.070 0.000 0.885 659 A CB -0.407 18.649 19.000 0.094 0.000 0.933 659 A HN 0.177 nan 8.150 nan 0.000 0.506 660 A N -0.173 122.751 122.820 0.173 0.000 2.327 660 A HA 0.524 4.837 4.320 -0.012 0.000 0.283 660 A C 0.274 178.003 177.584 0.241 0.000 1.127 660 A CA -0.289 51.910 52.037 0.270 0.000 0.810 660 A CB 0.438 19.700 19.000 0.437 0.000 1.066 660 A HN 0.233 nan 8.150 nan 0.000 0.492 661 D N 0.665 121.197 120.400 0.221 0.000 2.338 661 D HA 0.111 4.744 4.640 -0.012 0.000 0.224 661 D C 0.075 176.547 176.300 0.286 0.000 0.967 661 D CA 0.787 54.954 54.000 0.278 0.000 0.896 661 D CB 0.265 41.158 40.800 0.155 0.000 1.028 661 D HN 0.370 nan 8.370 nan 0.000 0.493 662 L N 1.232 122.518 121.223 0.104 0.000 2.333 662 L HA 0.286 4.620 4.340 -0.012 0.000 0.280 662 L C -0.652 176.065 176.870 -0.256 0.000 1.004 662 L CA -0.286 54.536 54.840 -0.030 0.000 0.820 662 L CB 1.960 43.982 42.059 -0.063 0.000 1.247 662 L HN -0.148 nan 8.230 nan 0.000 0.416 663 S N 4.394 119.854 115.700 -0.401 0.000 2.442 663 S HA 0.355 4.818 4.470 -0.012 0.000 0.297 663 S C -0.450 173.874 174.600 -0.459 0.000 1.131 663 S CA -0.678 57.040 58.200 -0.803 0.000 1.092 663 S CB 0.897 63.511 63.200 -0.977 0.000 0.998 663 S HN 0.574 nan 8.310 nan 0.000 0.478 664 E N 4.034 123.982 120.200 -0.420 0.000 2.046 664 E HA 0.222 4.565 4.350 -0.012 0.000 0.279 664 E C -0.596 175.902 176.600 -0.169 0.000 0.989 664 E CA -0.484 55.795 56.400 -0.202 0.000 0.798 664 E CB 1.124 30.734 29.700 -0.150 0.000 1.086 664 E HN 0.610 nan 8.360 nan 0.000 0.399 665 Q N 2.833 122.583 119.800 -0.084 0.000 2.943 665 Q HA 0.254 4.588 4.340 -0.012 0.000 0.327 665 Q C 0.651 176.631 176.000 -0.034 0.000 0.937 665 Q CA -0.140 55.622 55.803 -0.068 0.000 0.914 665 Q CB 0.204 28.918 28.738 -0.041 0.000 1.339 665 Q HN 0.612 nan 8.270 nan 0.000 0.417 666 I N -1.400 119.140 120.570 -0.051 0.000 3.712 666 I HA 0.266 4.429 4.170 -0.012 0.000 0.342 666 I C 0.253 176.306 176.117 -0.107 0.000 1.487 666 I CA -0.552 60.724 61.300 -0.040 0.000 1.179 666 I CB 0.017 37.993 38.000 -0.040 0.000 1.403 666 I HN -0.042 nan 8.210 nan 0.000 0.444 667 S N 0.463 116.095 115.700 -0.113 0.000 2.603 667 S HA 0.274 4.737 4.470 -0.012 0.000 0.268 667 S C 0.519 175.082 174.600 -0.062 0.000 1.317 667 S CA -0.392 57.749 58.200 -0.098 0.000 1.012 667 S CB 0.755 63.928 63.200 -0.044 0.000 0.926 667 S HN 0.410 nan 8.310 nan 0.000 0.539 668 T N 2.490 117.041 114.554 -0.006 0.000 2.853 668 T HA 0.400 4.743 4.350 -0.012 0.000 0.298 668 T C 0.693 175.399 174.700 0.010 0.000 0.978 668 T CA 0.160 62.272 62.100 0.021 0.000 1.152 668 T CB -0.007 68.945 68.868 0.139 0.000 0.914 668 T HN 0.981 nan 8.240 nan 0.000 0.539 669 A N 2.912 125.709 122.820 -0.040 0.000 2.573 669 A HA 0.431 4.744 4.320 -0.012 0.000 0.250 669 A C 1.649 179.226 177.584 -0.011 0.000 1.049 669 A CA 0.367 52.378 52.037 -0.043 0.000 0.767 669 A CB -0.949 18.013 19.000 -0.064 0.000 0.965 669 A HN 1.664 nan 8.150 nan 0.000 0.514 670 G N 1.453 110.247 108.800 -0.010 0.000 2.179 670 G HA2 -0.238 3.716 3.960 -0.012 0.000 0.220 670 G HA3 -0.238 3.716 3.960 -0.012 0.000 0.220 670 G C 0.944 175.840 174.900 -0.007 0.000 0.990 670 G CA 1.033 46.130 45.100 -0.005 0.000 0.646 670 G HN 2.005 nan 8.290 nan 0.000 0.517 671 T N -2.257 112.298 114.554 0.001 0.000 3.034 671 T HA 0.404 4.748 4.350 -0.012 0.000 0.248 671 T C 0.746 175.354 174.700 -0.153 0.000 1.040 671 T CA 1.149 63.203 62.100 -0.076 0.000 1.107 671 T CB 0.564 69.434 68.868 0.003 0.000 0.932 671 T HN 0.292 nan 8.240 nan 0.000 0.474 672 E N 1.314 121.531 120.200 0.028 0.000 2.089 672 E HA 0.673 5.016 4.350 -0.012 0.000 0.284 672 E C 1.131 177.694 176.600 -0.062 0.000 1.023 672 E CA 0.038 56.487 56.400 0.082 0.000 0.819 672 E CB 0.905 30.679 29.700 0.123 0.000 1.076 672 E HN 0.308 nan 8.360 nan 0.000 0.396 673 A N 3.475 126.185 122.820 -0.183 0.000 1.892 673 A HA -0.213 4.100 4.320 -0.012 0.000 0.218 673 A C 1.913 179.370 177.584 -0.212 0.000 1.188 673 A CA 2.333 54.119 52.037 -0.419 0.000 0.631 673 A CB -0.255 18.339 19.000 -0.677 0.000 0.822 673 A HN 0.636 nan 8.150 nan 0.000 0.447 674 S N -4.328 111.313 115.700 -0.099 0.000 4.696 674 S HA 0.439 4.902 4.470 -0.012 0.000 0.185 674 S C 0.639 175.224 174.600 -0.024 0.000 1.139 674 S CA 1.339 59.519 58.200 -0.033 0.000 1.227 674 S CB -0.247 62.956 63.200 0.005 0.000 1.682 674 S HN 2.347 nan 8.310 nan 0.000 0.551 675 G N 0.320 109.113 108.800 -0.012 0.000 2.721 675 G HA2 0.011 3.964 3.960 -0.012 0.000 0.686 675 G HA3 0.011 3.964 3.960 -0.012 0.000 0.686 675 G C 0.223 175.100 174.900 -0.038 0.000 1.236 675 G CA 0.444 45.532 45.100 -0.019 0.000 0.786 675 G HN 1.435 nan 8.290 nan 0.000 0.616 676 T N -1.799 112.720 114.554 -0.057 0.000 2.992 676 T HA 0.383 4.726 4.350 -0.012 0.000 0.255 676 T C 2.345 176.946 174.700 -0.165 0.000 0.938 676 T CA 1.216 63.255 62.100 -0.102 0.000 0.895 676 T CB 0.389 69.195 68.868 -0.104 0.000 1.221 676 T HN 1.859 nan 8.240 nan 0.000 0.512 677 G N 3.167 111.895 108.800 -0.121 0.000 2.442 677 G HA2 -0.260 3.693 3.960 -0.012 0.000 0.219 677 G HA3 -0.260 3.693 3.960 -0.012 0.000 0.219 677 G C 1.456 176.398 174.900 0.070 0.000 1.141 677 G CA 1.156 46.197 45.100 -0.098 0.000 0.763 677 G HN 0.818 nan 8.290 nan 0.000 0.554 678 N N 0.208 118.940 118.700 0.053 0.000 2.149 678 N HA -0.152 4.581 4.740 -0.012 0.000 0.188 678 N C 2.208 177.731 175.510 0.022 0.000 1.019 678 N CA 1.387 54.476 53.050 0.064 0.000 0.857 678 N CB -0.366 38.108 38.487 -0.023 0.000 0.997 678 N HN 0.355 nan 8.380 nan 0.000 0.426 679 M N 0.662 120.206 119.600 -0.093 0.000 2.254 679 M HA -0.003 4.470 4.480 -0.012 0.000 0.265 679 M C 1.961 178.217 176.300 -0.073 0.000 1.066 679 M CA 1.342 56.570 55.300 -0.119 0.000 1.123 679 M CB -0.076 32.448 32.600 -0.127 0.000 1.388 679 M HN 0.087 nan 8.290 nan 0.000 0.425 680 K N 0.142 120.430 120.400 -0.187 0.000 2.057 680 K HA -0.093 4.220 4.320 -0.012 0.000 0.207 680 K C 1.677 178.159 176.600 -0.197 0.000 1.049 680 K CA 1.362 57.469 56.287 -0.300 0.000 0.931 680 K CB -0.214 31.882 32.500 -0.674 0.000 0.714 680 K HN 0.141 nan 8.250 nan 0.000 0.440 681 F N 1.019 120.897 119.950 -0.120 0.000 2.146 681 F HA -0.116 4.404 4.527 -0.012 0.000 0.298 681 F C 2.524 178.294 175.800 -0.050 0.000 1.096 681 F CA 1.182 59.134 58.000 -0.080 0.000 1.275 681 F CB -0.303 38.640 39.000 -0.095 0.000 1.008 681 F HN -0.010 nan 8.300 nan 0.000 0.480 682 M N -0.366 119.321 119.600 0.145 0.000 2.159 682 M HA -0.195 4.278 4.480 -0.012 0.000 0.263 682 M C 2.016 178.369 176.300 0.088 0.000 1.063 682 M CA 1.619 56.972 55.300 0.089 0.000 1.110 682 M CB -0.217 32.434 32.600 0.085 0.000 1.374 682 M HN 0.277 nan 8.290 nan 0.000 0.411 683 L N 0.495 121.768 121.223 0.084 0.000 2.395 683 L HA 0.005 4.338 4.340 -0.012 0.000 0.218 683 L C 1.107 178.019 176.870 0.070 0.000 1.130 683 L CA 1.353 56.247 54.840 0.089 0.000 0.826 683 L CB -0.419 41.704 42.059 0.107 0.000 0.941 683 L HN 0.315 nan 8.230 nan 0.000 0.451 684 N N 0.003 118.736 118.700 0.055 0.000 2.238 684 N HA 0.205 4.938 4.740 -0.012 0.000 0.222 684 N C 0.771 176.314 175.510 0.056 0.000 1.133 684 N CA 0.765 53.840 53.050 0.043 0.000 0.854 684 N CB 0.685 39.175 38.487 0.007 0.000 1.041 684 N HN 0.367 nan 8.380 nan 0.000 0.510 685 G N 0.546 109.383 108.800 0.063 0.000 2.165 685 G HA2 -0.172 3.781 3.960 -0.012 0.000 0.226 685 G HA3 -0.172 3.781 3.960 -0.012 0.000 0.226 685 G C -0.086 174.878 174.900 0.108 0.000 1.035 685 G CA 0.119 45.258 45.100 0.065 0.000 0.744 685 G HN 0.518 nan 8.290 nan 0.000 0.501 686 A N -0.547 122.342 122.820 0.114 0.000 2.340 686 A HA 0.899 5.212 4.320 -0.012 0.000 0.331 686 A C -0.290 177.286 177.584 -0.013 0.000 1.140 686 A CA -0.707 51.409 52.037 0.131 0.000 0.801 686 A CB 1.516 20.659 19.000 0.238 0.000 1.234 686 A HN 0.781 nan 8.150 nan 0.000 0.469 687 L N 0.900 122.080 121.223 -0.072 0.000 2.343 687 L HA 0.562 4.895 4.340 -0.012 0.000 0.275 687 L C 0.455 177.184 176.870 -0.234 0.000 1.056 687 L CA 0.436 55.132 54.840 -0.239 0.000 0.804 687 L CB 1.635 43.456 42.059 -0.396 0.000 1.203 687 L HN 0.740 nan 8.230 nan 0.000 0.440 688 T N 4.291 118.593 114.554 -0.421 0.000 2.771 688 T HA 0.509 4.853 4.350 -0.012 0.000 0.281 688 T C -0.206 174.383 174.700 -0.185 0.000 0.982 688 T CA -0.150 61.703 62.100 -0.412 0.000 0.978 688 T CB 0.827 69.307 68.868 -0.646 0.000 0.930 688 T HN 0.448 nan 8.240 nan 0.000 0.447 689 I N 3.111 123.661 120.570 -0.034 0.000 2.355 689 I HA 0.709 4.872 4.170 -0.012 0.000 0.288 689 I C 0.120 176.403 176.117 0.276 0.000 0.999 689 I CA 0.078 61.477 61.300 0.165 0.000 1.163 689 I CB 0.155 38.179 38.000 0.041 0.000 1.316 689 I HN 0.782 nan 8.210 nan 0.000 0.454 690 G N 4.038 113.063 108.800 0.376 0.000 2.606 690 G HA2 0.500 4.453 3.960 -0.012 0.000 0.300 690 G HA3 0.500 4.453 3.960 -0.012 0.000 0.300 690 G C -0.951 173.853 174.900 -0.160 0.000 1.360 690 G CA -0.273 44.953 45.100 0.209 0.000 0.783 690 G HN 0.550 nan 8.290 nan 0.000 0.484 691 T N -1.870 112.480 114.554 -0.341 0.000 2.927 691 T HA 0.542 4.885 4.350 -0.012 0.000 0.281 691 T C 0.610 175.184 174.700 -0.211 0.000 0.998 691 T CA -0.736 61.087 62.100 -0.460 0.000 1.019 691 T CB 1.350 69.941 68.868 -0.460 0.000 1.061 691 T HN 0.247 nan 8.240 nan 0.000 0.518 692 M N 2.887 122.375 119.600 -0.188 0.000 3.442 692 M HA 0.315 4.788 4.480 -0.012 0.000 0.232 692 M C -0.468 175.771 176.300 -0.102 0.000 1.508 692 M CA 0.015 55.239 55.300 -0.126 0.000 1.647 692 M CB -1.887 30.650 32.600 -0.106 0.000 1.126 692 M HN 0.722 nan 8.290 nan 0.000 0.557 693 D N -0.263 120.081 120.400 -0.093 0.000 2.527 693 D HA 0.684 5.317 4.640 -0.012 0.000 0.233 693 D C 0.795 177.065 176.300 -0.049 0.000 1.063 693 D CA 0.654 54.617 54.000 -0.063 0.000 0.880 693 D CB 1.743 42.508 40.800 -0.060 0.000 1.457 693 D HN 0.566 nan 8.370 nan 0.000 0.475 694 G N 1.404 110.187 108.800 -0.029 0.000 2.632 694 G HA2 -0.280 3.673 3.960 -0.012 0.000 0.322 694 G HA3 -0.280 3.673 3.960 -0.012 0.000 0.322 694 G C 1.035 175.919 174.900 -0.026 0.000 1.326 694 G CA 1.218 46.305 45.100 -0.021 0.000 0.986 694 G HN 1.005 nan 8.290 nan 0.000 0.541 695 A N -0.335 122.463 122.820 -0.037 0.000 2.209 695 A HA 0.082 4.395 4.320 -0.012 0.000 0.212 695 A C 2.103 179.607 177.584 -0.133 0.000 1.158 695 A CA 1.851 53.853 52.037 -0.057 0.000 0.742 695 A CB -0.444 18.500 19.000 -0.094 0.000 0.790 695 A HN 0.594 nan 8.150 nan 0.000 0.472 696 N N 0.299 118.930 118.700 -0.114 0.000 2.149 696 N HA -0.133 4.600 4.740 -0.012 0.000 0.188 696 N C 1.556 176.915 175.510 -0.252 0.000 1.019 696 N CA 1.491 54.456 53.050 -0.141 0.000 0.857 696 N CB -0.485 37.965 38.487 -0.060 0.000 0.997 696 N HN 0.286 nan 8.380 nan 0.000 0.426 697 V N 1.234 121.051 119.914 -0.162 0.000 2.343 697 V HA -0.191 3.922 4.120 -0.012 0.000 0.247 697 V C 1.959 177.970 176.094 -0.138 0.000 1.051 697 V CA 1.595 63.801 62.300 -0.156 0.000 1.036 697 V CB -0.416 31.356 31.823 -0.086 0.000 0.654 697 V HN 0.340 nan 8.190 nan 0.000 0.451 698 E N -0.583 119.592 120.200 -0.042 0.000 2.152 698 E HA -0.146 4.197 4.350 -0.012 0.000 0.192 698 E C 2.221 178.928 176.600 0.178 0.000 0.983 698 E CA 1.118 57.579 56.400 0.101 0.000 0.818 698 E CB -0.162 29.697 29.700 0.264 0.000 0.758 698 E HN 0.550 nan 8.360 nan 0.000 0.467 699 M N 0.444 120.029 119.600 -0.025 0.000 2.077 699 M HA -0.122 4.351 4.480 -0.012 0.000 0.261 699 M C 2.544 178.648 176.300 -0.327 0.000 1.070 699 M CA 1.537 56.782 55.300 -0.092 0.000 1.125 699 M CB -0.238 32.199 32.600 -0.271 0.000 1.339 699 M HN 0.119 nan 8.290 nan 0.000 0.409 700 A N 0.102 122.402 122.820 -0.867 0.000 1.940 700 A HA -0.231 4.082 4.320 -0.012 0.000 0.219 700 A C 2.011 179.403 177.584 -0.320 0.000 1.176 700 A CA 2.048 53.527 52.037 -0.930 0.000 0.631 700 A CB -0.880 17.576 19.000 -0.906 0.000 0.814 700 A HN 0.622 nan 8.150 nan 0.000 0.446 701 E N -0.532 119.545 120.200 -0.204 0.000 2.150 701 E HA -0.194 4.149 4.350 -0.012 0.000 0.193 701 E C 1.644 178.221 176.600 -0.039 0.000 0.985 701 E CA 1.149 57.493 56.400 -0.093 0.000 0.814 701 E CB -0.052 29.611 29.700 -0.062 0.000 0.752 701 E HN 0.584 nan 8.360 nan 0.000 0.466 702 E N 0.013 120.216 120.200 0.006 0.000 2.086 702 E HA -0.049 4.294 4.350 -0.012 0.000 0.190 702 E C 1.792 178.423 176.600 0.053 0.000 0.975 702 E CA 0.980 57.407 56.400 0.045 0.000 0.813 702 E CB 0.061 29.835 29.700 0.123 0.000 0.768 702 E HN 0.349 nan 8.360 nan 0.000 0.457 703 A N 0.509 123.373 122.820 0.074 0.000 2.081 703 A HA 0.364 4.677 4.320 -0.012 0.000 0.214 703 A C 1.016 178.632 177.584 0.053 0.000 1.158 703 A CA 1.014 53.110 52.037 0.098 0.000 0.724 703 A CB 0.124 19.248 19.000 0.206 0.000 0.826 703 A HN 0.226 nan 8.150 nan 0.000 0.463 704 G N -0.482 108.326 108.800 0.012 0.000 3.067 704 G HA2 -0.086 3.867 3.960 -0.012 0.000 0.686 704 G HA3 -0.086 3.867 3.960 -0.012 0.000 0.686 704 G C -0.069 174.827 174.900 -0.007 0.000 1.119 704 G CA -0.025 45.069 45.100 -0.010 0.000 0.790 704 G HN 0.242 nan 8.290 nan 0.000 0.605 705 E N 0.814 120.991 120.200 -0.038 0.000 2.267 705 E HA -0.152 4.191 4.350 -0.012 0.000 0.197 705 E C 2.005 178.591 176.600 -0.023 0.000 0.998 705 E CA 1.705 58.088 56.400 -0.028 0.000 0.830 705 E CB 0.090 29.764 29.700 -0.043 0.000 0.751 705 E HN 0.782 nan 8.360 nan 0.000 0.491 706 E N 0.544 120.717 120.200 -0.045 0.000 2.274 706 E HA -0.069 4.274 4.350 -0.012 0.000 0.194 706 E C 0.977 177.479 176.600 -0.162 0.000 0.996 706 E CA 0.629 56.975 56.400 -0.089 0.000 0.840 706 E CB 0.061 29.724 29.700 -0.062 0.000 0.772 706 E HN 0.162 nan 8.360 nan 0.000 0.491 707 N N -0.282 118.355 118.700 -0.104 0.000 2.251 707 N HA 0.138 4.871 4.740 -0.012 0.000 0.217 707 N C -0.942 174.460 175.510 -0.180 0.000 1.124 707 N CA 0.098 53.051 53.050 -0.161 0.000 0.843 707 N CB 0.450 38.904 38.487 -0.055 0.000 1.024 707 N HN 0.047 nan 8.380 nan 0.000 0.501 708 F N -0.281 119.451 119.950 -0.365 0.000 2.565 708 F HA 0.397 4.917 4.527 -0.013 0.000 0.313 708 F C -0.731 174.842 175.800 -0.379 0.000 1.091 708 F CA -1.027 56.801 58.000 -0.286 0.000 0.915 708 F CB 1.388 40.312 39.000 -0.127 0.000 1.208 708 F HN -0.209 nan 8.300 nan 0.000 0.453 709 F N 5.404 125.380 119.950 0.043 0.000 2.395 709 F HA 0.402 4.923 4.527 -0.011 0.000 0.347 709 F C -0.381 175.560 175.800 0.234 0.000 1.157 709 F CA -0.513 57.542 58.000 0.092 0.000 1.272 709 F CB -0.147 38.851 39.000 -0.004 0.000 1.607 709 F HN 0.050 nan 8.300 nan 0.000 0.571 710 I N 3.468 124.240 120.570 0.337 0.000 2.472 710 I HA 0.371 4.535 4.170 -0.012 0.000 0.290 710 I C -0.053 176.240 176.117 0.294 0.000 1.016 710 I CA -0.418 61.035 61.300 0.255 0.000 1.348 710 I CB 0.449 38.514 38.000 0.108 0.000 1.417 710 I HN 0.340 nan 8.210 nan 0.000 0.521 711 F N 2.924 122.939 119.950 0.109 0.000 2.745 711 F HA 0.920 5.439 4.527 -0.012 0.000 0.316 711 F C 0.192 176.032 175.800 0.067 0.000 1.155 711 F CA -0.631 57.424 58.000 0.092 0.000 0.937 711 F CB 0.671 39.742 39.000 0.118 0.000 1.361 711 F HN 0.868 nan 8.300 nan 0.000 0.472 712 G N 0.919 109.820 108.800 0.168 0.000 2.796 712 G HA2 -0.157 3.796 3.960 -0.012 0.000 0.226 712 G HA3 -0.157 3.796 3.960 -0.012 0.000 0.226 712 G C -0.698 174.181 174.900 -0.035 0.000 1.381 712 G CA -0.427 44.699 45.100 0.042 0.000 0.867 712 G HN 0.971 nan 8.290 nan 0.000 0.552 713 M N 0.611 120.200 119.600 -0.019 0.000 2.252 713 M HA 0.258 4.731 4.480 -0.012 0.000 0.333 713 M C 1.158 177.425 176.300 -0.055 0.000 1.111 713 M CA 0.185 55.477 55.300 -0.014 0.000 1.140 713 M CB 0.346 32.947 32.600 0.001 0.000 1.538 713 M HN 0.547 nan 8.290 nan 0.000 0.448 714 R N 1.384 121.865 120.500 -0.033 0.000 2.608 714 R HA 0.337 4.670 4.340 -0.012 0.000 0.255 714 R C 1.116 177.397 176.300 -0.032 0.000 1.086 714 R CA -0.703 55.371 56.100 -0.044 0.000 1.125 714 R CB -0.019 30.262 30.300 -0.031 0.000 1.193 714 R HN 0.573 nan 8.270 nan 0.000 0.553 715 V N 1.848 121.742 119.914 -0.034 0.000 2.278 715 V HA -0.292 3.821 4.120 -0.012 0.000 0.251 715 V C 2.176 178.260 176.094 -0.016 0.000 1.062 715 V CA 2.300 64.585 62.300 -0.025 0.000 1.038 715 V CB -0.492 31.315 31.823 -0.028 0.000 0.646 715 V HN 0.682 nan 8.190 nan 0.000 0.447 716 E N 0.110 120.302 120.200 -0.013 0.000 2.118 716 E HA -0.248 4.095 4.350 -0.012 0.000 0.195 716 E C 1.752 178.356 176.600 0.006 0.000 0.992 716 E CA 1.618 58.015 56.400 -0.005 0.000 0.804 716 E CB -0.806 28.891 29.700 -0.004 0.000 0.741 716 E HN 0.641 nan 8.360 nan 0.000 0.458 717 D N 1.181 121.587 120.400 0.010 0.000 2.144 717 D HA -0.086 4.547 4.640 -0.012 0.000 0.199 717 D C 2.225 178.542 176.300 0.028 0.000 0.984 717 D CA 1.120 55.137 54.000 0.027 0.000 0.834 717 D CB 0.005 40.824 40.800 0.032 0.000 0.955 717 D HN 0.082 nan 8.370 nan 0.000 0.465 718 V N 1.896 121.814 119.914 0.008 0.000 2.295 718 V HA -0.210 3.903 4.120 -0.012 0.000 0.246 718 V C 2.015 178.112 176.094 0.005 0.000 1.049 718 V CA 1.695 63.993 62.300 -0.003 0.000 1.024 718 V CB -0.406 31.406 31.823 -0.019 0.000 0.648 718 V HN 0.030 nan 8.190 nan 0.000 0.447 719 D N -0.326 120.076 120.400 0.004 0.000 2.144 719 D HA -0.142 4.491 4.640 -0.012 0.000 0.199 719 D C 2.372 178.685 176.300 0.021 0.000 0.984 719 D CA 1.131 55.135 54.000 0.006 0.000 0.834 719 D CB -0.222 40.577 40.800 -0.000 0.000 0.955 719 D HN 0.305 nan 8.370 nan 0.000 0.465 720 R N 0.186 120.703 120.500 0.028 0.000 2.083 720 R HA -0.039 4.294 4.340 -0.012 0.000 0.237 720 R C 2.481 178.816 176.300 0.059 0.000 1.137 720 R CA 0.632 56.756 56.100 0.040 0.000 0.951 720 R CB -0.397 29.929 30.300 0.044 0.000 0.851 720 R HN 0.172 nan 8.270 nan 0.000 0.434 721 L N 0.538 121.805 121.223 0.074 0.000 2.131 721 L HA -0.230 4.103 4.340 -0.012 0.000 0.210 721 L C 1.411 178.348 176.870 0.110 0.000 1.092 721 L CA 1.382 56.292 54.840 0.116 0.000 0.759 721 L CB -0.276 41.865 42.059 0.137 0.000 0.903 721 L HN 0.298 nan 8.230 nan 0.000 0.435 722 D N -1.004 119.436 120.400 0.066 0.000 2.149 722 D HA -0.148 4.485 4.640 -0.012 0.000 0.201 722 D C 2.291 178.623 176.300 0.053 0.000 0.972 722 D CA 0.720 54.753 54.000 0.056 0.000 0.835 722 D CB 0.047 40.860 40.800 0.021 0.000 0.966 722 D HN 0.343 nan 8.370 nan 0.000 0.476 723 Q N 0.664 120.490 119.800 0.044 0.000 2.030 723 Q HA -0.140 4.193 4.340 -0.012 0.000 0.204 723 Q C 2.284 178.311 176.000 0.047 0.000 0.986 723 Q CA 0.937 56.762 55.803 0.037 0.000 0.843 723 Q CB -0.468 28.289 28.738 0.031 0.000 0.904 723 Q HN 0.302 nan 8.270 nan 0.000 0.420 724 R N 0.213 120.748 120.500 0.058 0.000 2.080 724 R HA -0.080 4.253 4.340 -0.012 0.000 0.236 724 R C 0.271 176.614 176.300 0.072 0.000 1.137 724 R CA 1.323 57.461 56.100 0.063 0.000 0.943 724 R CB -0.191 30.156 30.300 0.078 0.000 0.846 724 R HN 0.434 nan 8.270 nan 0.000 0.431 725 G N -0.579 108.280 108.800 0.099 0.000 3.326 725 G HA2 -0.212 3.741 3.960 -0.012 0.000 0.681 725 G HA3 -0.212 3.741 3.960 -0.012 0.000 0.681 725 G C -1.393 173.610 174.900 0.173 0.000 1.255 725 G CA -0.499 44.668 45.100 0.113 0.000 0.976 725 G HN 0.298 nan 8.290 nan 0.000 0.563 726 Y N 3.781 124.119 120.300 0.063 0.000 2.436 726 Y HA 0.565 5.108 4.550 -0.012 0.000 0.336 726 Y C 0.339 176.300 175.900 0.101 0.000 1.049 726 Y CA -0.810 57.347 58.100 0.094 0.000 1.294 726 Y CB 0.938 39.434 38.460 0.060 0.000 1.179 726 Y HN 0.568 nan 8.280 nan 0.000 0.520 727 N N 5.131 123.622 118.700 -0.349 0.000 2.573 727 N HA 0.285 5.018 4.740 -0.012 0.000 0.262 727 N C -0.032 175.237 175.510 -0.402 0.000 1.029 727 N CA 0.266 53.120 53.050 -0.327 0.000 0.882 727 N CB 1.603 40.025 38.487 -0.107 0.000 1.204 727 N HN 0.862 nan 8.380 nan 0.000 0.519 728 A N 2.992 125.487 122.820 -0.542 0.000 2.067 728 A HA -0.178 4.135 4.320 -0.012 0.000 0.219 728 A C 1.919 179.635 177.584 0.220 0.000 1.158 728 A CA 1.221 53.193 52.037 -0.109 0.000 0.661 728 A CB -0.232 18.649 19.000 -0.198 0.000 0.801 728 A HN 0.753 nan 8.150 nan 0.000 0.452 729 Q N 0.301 120.125 119.800 0.039 0.000 2.096 729 Q HA -0.225 4.109 4.340 -0.012 0.000 0.204 729 Q C 1.884 177.963 176.000 0.131 0.000 0.982 729 Q CA 2.210 58.058 55.803 0.075 0.000 0.850 729 Q CB -0.326 28.412 28.738 0.000 0.000 0.901 729 Q HN 0.751 nan 8.270 nan 0.000 0.422 730 E N -1.238 118.979 120.200 0.028 0.000 2.049 730 E HA -0.250 4.093 4.350 -0.012 0.000 0.198 730 E C 1.659 178.190 176.600 -0.115 0.000 1.007 730 E CA 1.655 57.998 56.400 -0.095 0.000 0.809 730 E CB -0.214 29.333 29.700 -0.254 0.000 0.749 730 E HN 0.564 nan 8.360 nan 0.000 0.450 731 Y N -1.248 119.101 120.300 0.081 0.000 2.242 731 Y HA -0.213 4.330 4.550 -0.012 0.000 0.291 731 Y C 2.145 178.007 175.900 -0.064 0.000 1.137 731 Y CA 1.473 59.600 58.100 0.045 0.000 1.181 731 Y CB -0.545 37.992 38.460 0.129 0.000 0.989 731 Y HN 0.261 nan 8.280 nan 0.000 0.527 732 Y N 1.032 121.328 120.300 -0.006 0.000 2.242 732 Y HA -0.231 4.312 4.550 -0.012 0.000 0.291 732 Y C 1.848 177.695 175.900 -0.089 0.000 1.137 732 Y CA 1.659 59.680 58.100 -0.133 0.000 1.181 732 Y CB -0.275 38.162 38.460 -0.039 0.000 0.989 732 Y HN 0.051 nan 8.280 nan 0.000 0.527 733 D N -0.062 120.384 120.400 0.077 0.000 2.123 733 D HA -0.113 4.520 4.640 -0.012 0.000 0.200 733 D C 1.891 178.139 176.300 -0.087 0.000 0.976 733 D CA 1.286 55.281 54.000 -0.007 0.000 0.831 733 D CB -0.107 40.722 40.800 0.049 0.000 0.974 733 D HN 0.492 nan 8.370 nan 0.000 0.469 734 R N 0.073 120.528 120.500 -0.075 0.000 2.300 734 R HA 0.216 4.549 4.340 -0.012 0.000 0.199 734 R C 0.439 176.701 176.300 -0.062 0.000 0.920 734 R CA 0.124 56.185 56.100 -0.066 0.000 1.046 734 R CB 0.623 30.889 30.300 -0.058 0.000 0.984 734 R HN 0.171 nan 8.270 nan 0.000 0.493 735 I N 2.511 123.021 120.570 -0.100 0.000 2.437 735 I HA 0.216 4.379 4.170 -0.012 0.000 0.279 735 I C -1.875 174.131 176.117 -0.185 0.000 1.028 735 I CA -2.472 58.773 61.300 -0.091 0.000 1.142 735 I CB 2.315 40.285 38.000 -0.050 0.000 1.266 735 I HN -0.261 nan 8.210 nan 0.000 0.461 736 P HA -0.134 nan 4.420 nan 0.000 0.216 736 P C 1.199 178.401 177.300 -0.163 0.000 1.153 736 P CA 1.253 64.253 63.100 -0.167 0.000 0.848 736 P CB 0.319 31.955 31.700 -0.107 0.000 0.787 737 E N -0.775 119.368 120.200 -0.095 0.000 2.077 737 E HA -0.178 4.165 4.350 -0.012 0.000 0.193 737 E C 1.890 178.404 176.600 -0.144 0.000 0.989 737 E CA 0.859 57.225 56.400 -0.056 0.000 0.800 737 E CB -0.662 29.077 29.700 0.065 0.000 0.746 737 E HN 0.106 nan 8.360 nan 0.000 0.452 738 L N 1.456 122.501 121.223 -0.298 0.000 2.017 738 L HA -0.164 4.169 4.340 -0.012 0.000 0.208 738 L C 2.402 179.020 176.870 -0.420 0.000 1.073 738 L CA 1.725 56.220 54.840 -0.575 0.000 0.745 738 L CB -0.430 41.128 42.059 -0.835 0.000 0.894 738 L HN -0.067 nan 8.230 nan 0.000 0.432 739 R N -0.797 119.429 120.500 -0.457 0.000 2.091 739 R HA -0.248 4.085 4.340 -0.012 0.000 0.238 739 R C 2.401 178.556 176.300 -0.242 0.000 1.136 739 R CA 2.001 57.761 56.100 -0.566 0.000 0.959 739 R CB -0.392 29.459 30.300 -0.750 0.000 0.856 739 R HN 0.655 nan 8.270 nan 0.000 0.437 740 Q N 0.454 120.139 119.800 -0.191 0.000 2.096 740 Q HA -0.188 4.145 4.340 -0.012 0.000 0.204 740 Q C 2.072 178.035 176.000 -0.062 0.000 0.982 740 Q CA 1.960 57.694 55.803 -0.114 0.000 0.850 740 Q CB -0.122 28.549 28.738 -0.111 0.000 0.901 740 Q HN 0.490 nan 8.270 nan 0.000 0.422 741 I N 0.138 120.675 120.570 -0.055 0.000 2.179 741 I HA -0.282 3.881 4.170 -0.012 0.000 0.242 741 I C 2.117 178.280 176.117 0.077 0.000 1.088 741 I CA 0.846 62.159 61.300 0.022 0.000 1.357 741 I CB -0.154 37.841 38.000 -0.008 0.000 1.051 741 I HN 0.244 nan 8.210 nan 0.000 0.409 742 I N 0.613 121.224 120.570 0.069 0.000 2.286 742 I HA -0.256 3.907 4.170 -0.012 0.000 0.248 742 I C 2.330 178.552 176.117 0.176 0.000 1.115 742 I CA 1.558 62.956 61.300 0.163 0.000 1.392 742 I CB -0.336 37.835 38.000 0.285 0.000 1.065 742 I HN 0.190 nan 8.210 nan 0.000 0.418 743 E N -0.385 119.903 120.200 0.145 0.000 2.358 743 E HA -0.195 4.148 4.350 -0.012 0.000 0.195 743 E C 2.018 178.686 176.600 0.113 0.000 1.010 743 E CA 0.467 56.943 56.400 0.128 0.000 0.856 743 E CB -0.048 29.706 29.700 0.090 0.000 0.795 743 E HN 0.591 nan 8.360 nan 0.000 0.504 744 Q N 0.434 120.299 119.800 0.109 0.000 2.096 744 Q HA -0.034 4.299 4.340 -0.012 0.000 0.197 744 Q C 2.237 178.429 176.000 0.319 0.000 0.964 744 Q CA 0.714 56.596 55.803 0.131 0.000 0.838 744 Q CB 0.186 28.962 28.738 0.064 0.000 0.906 744 Q HN 0.268 nan 8.270 nan 0.000 0.444 745 L N -0.493 120.926 121.223 0.327 0.000 2.056 745 L HA -0.140 4.193 4.340 -0.012 0.000 0.207 745 L C 2.408 179.464 176.870 0.311 0.000 1.078 745 L CA 0.781 55.830 54.840 0.348 0.000 0.749 745 L CB -0.313 41.864 42.059 0.197 0.000 0.901 745 L HN 0.117 nan 8.230 nan 0.000 0.433 746 S N -0.425 115.411 115.700 0.228 0.000 2.402 746 S HA -0.129 4.334 4.470 -0.012 0.000 0.229 746 S C 2.013 176.714 174.600 0.168 0.000 1.021 746 S CA 1.489 59.800 58.200 0.185 0.000 0.974 746 S CB -0.103 63.185 63.200 0.145 0.000 0.800 746 S HN 0.596 nan 8.310 nan 0.000 0.484 747 S N -0.228 115.577 115.700 0.174 0.000 2.575 747 S HA 0.390 4.853 4.470 -0.012 0.000 0.215 747 S C 1.256 175.952 174.600 0.160 0.000 0.966 747 S CA 0.628 58.916 58.200 0.146 0.000 0.911 747 S CB 0.315 63.589 63.200 0.124 0.000 0.780 747 S HN 0.702 nan 8.310 nan 0.000 0.514 748 G N 1.012 109.940 108.800 0.213 0.000 2.132 748 G HA2 -0.300 3.653 3.960 -0.012 0.000 0.228 748 G HA3 -0.300 3.653 3.960 -0.012 0.000 0.228 748 G C 0.169 175.169 174.900 0.167 0.000 1.000 748 G CA 0.147 45.363 45.100 0.193 0.000 0.693 748 G HN 0.590 nan 8.290 nan 0.000 0.515 749 F N 0.122 120.089 119.950 0.028 0.000 2.269 749 F HA 0.272 4.792 4.527 -0.012 0.000 0.301 749 F C 1.785 177.414 175.800 -0.284 0.000 1.082 749 F CA 1.651 59.553 58.000 -0.164 0.000 1.360 749 F CB -0.033 38.792 39.000 -0.290 0.000 1.041 749 F HN 0.157 nan 8.300 nan 0.000 0.512 750 F N -0.323 119.693 119.950 0.111 0.000 2.695 750 F HA 0.219 4.739 4.527 -0.012 0.000 0.303 750 F C 0.686 176.555 175.800 0.116 0.000 1.091 750 F CA 0.228 58.245 58.000 0.029 0.000 1.300 750 F CB -0.022 39.031 39.000 0.088 0.000 1.071 750 F HN -0.031 nan 8.300 nan 0.000 0.578 751 S N -1.500 114.351 115.700 0.252 0.000 2.440 751 S HA 0.327 4.790 4.470 -0.012 0.000 0.142 751 S C -2.462 172.168 174.600 0.050 0.000 1.578 751 S CA -1.091 57.192 58.200 0.138 0.000 1.260 751 S CB 0.998 64.249 63.200 0.085 0.000 1.407 751 S HN -0.185 nan 8.310 nan 0.000 0.392 752 P HA -0.116 nan 4.420 nan 0.000 0.214 752 P C 1.218 178.517 177.300 -0.001 0.000 1.163 752 P CA 1.393 64.484 63.100 -0.014 0.000 0.883 752 P CB 0.100 31.771 31.700 -0.049 0.000 0.788 753 K N -0.940 119.458 120.400 -0.003 0.000 2.148 753 K HA -0.073 4.240 4.320 -0.012 0.000 0.204 753 K C 0.688 177.289 176.600 0.003 0.000 1.050 753 K CA 1.006 57.293 56.287 0.000 0.000 0.942 753 K CB -0.178 32.323 32.500 0.002 0.000 0.724 753 K HN 0.318 nan 8.250 nan 0.000 0.446 754 Q N -0.121 119.677 119.800 -0.003 0.000 2.798 754 Q HA 0.153 4.486 4.340 -0.012 0.000 0.250 754 Q C -2.315 173.678 176.000 -0.011 0.000 1.006 754 Q CA -1.650 54.145 55.803 -0.013 0.000 0.759 754 Q CB 1.567 30.287 28.738 -0.030 0.000 1.201 754 Q HN -0.073 nan 8.270 nan 0.000 0.486 755 P HA -0.224 nan 4.420 nan 0.000 0.218 755 P C 0.562 177.901 177.300 0.065 0.000 1.146 755 P CA 1.392 64.525 63.100 0.054 0.000 0.813 755 P CB 0.228 31.960 31.700 0.054 0.000 0.778 756 D N -1.094 119.327 120.400 0.035 0.000 2.368 756 D HA -0.005 4.628 4.640 -0.012 0.000 0.218 756 D C 1.579 177.883 176.300 0.006 0.000 1.112 756 D CA -0.258 53.770 54.000 0.047 0.000 0.834 756 D CB -0.420 40.407 40.800 0.045 0.000 0.953 756 D HN 0.023 nan 8.370 nan 0.000 0.505 757 L N 0.146 121.310 121.223 -0.098 0.000 2.043 757 L HA -0.092 4.241 4.340 -0.012 0.000 0.212 757 L C 0.856 177.529 176.870 -0.329 0.000 1.075 757 L CA 1.648 56.316 54.840 -0.286 0.000 0.752 757 L CB -0.598 41.109 42.059 -0.588 0.000 0.891 757 L HN -0.077 nan 8.230 nan 0.000 0.432 758 F N -0.175 119.833 119.950 0.097 0.000 2.819 758 F HA 0.204 4.724 4.527 -0.011 0.000 0.294 758 F C 1.717 177.571 175.800 0.090 0.000 1.166 758 F CA -0.115 57.933 58.000 0.080 0.000 1.374 758 F CB -0.755 38.279 39.000 0.057 0.000 0.956 758 F HN 0.166 nan 8.300 nan 0.000 0.509 759 K N -0.979 119.544 120.400 0.205 0.000 2.148 759 K HA -0.105 4.209 4.320 -0.012 0.000 0.204 759 K C 0.997 177.703 176.600 0.176 0.000 1.050 759 K CA 1.628 58.017 56.287 0.170 0.000 0.942 759 K CB -0.137 32.438 32.500 0.125 0.000 0.724 759 K HN 0.007 nan 8.250 nan 0.000 0.446 760 D N 1.197 121.716 120.400 0.198 0.000 2.178 760 D HA -0.054 4.579 4.640 -0.012 0.000 0.202 760 D C 1.957 178.373 176.300 0.193 0.000 0.974 760 D CA 0.980 55.108 54.000 0.214 0.000 0.841 760 D CB -0.045 40.920 40.800 0.275 0.000 0.953 760 D HN 0.295 nan 8.370 nan 0.000 0.478 761 I N 0.287 120.968 120.570 0.184 0.000 2.193 761 I HA -0.200 3.963 4.170 -0.012 0.000 0.240 761 I C 2.443 178.614 176.117 0.089 0.000 1.084 761 I CA 0.526 61.901 61.300 0.125 0.000 1.365 761 I CB -0.165 37.899 38.000 0.106 0.000 1.064 761 I HN -0.143 nan 8.210 nan 0.000 0.410 762 V N 1.027 121.008 119.914 0.113 0.000 2.287 762 V HA -0.339 3.774 4.120 -0.012 0.000 0.248 762 V C 2.169 178.272 176.094 0.015 0.000 1.053 762 V CA 2.554 64.902 62.300 0.079 0.000 1.027 762 V CB -1.024 30.866 31.823 0.112 0.000 0.646 762 V HN 0.501 nan 8.190 nan 0.000 0.447 763 N N -0.518 118.226 118.700 0.073 0.000 2.069 763 N HA -0.249 4.484 4.740 -0.012 0.000 0.191 763 N C 1.990 177.474 175.510 -0.042 0.000 1.031 763 N CA 1.877 54.983 53.050 0.093 0.000 0.852 763 N CB -0.174 38.429 38.487 0.193 0.000 1.018 763 N HN 0.378 nan 8.380 nan 0.000 0.423 764 M N 0.174 119.804 119.600 0.051 0.000 2.067 764 M HA -0.142 4.331 4.480 -0.012 0.000 0.260 764 M C 1.622 177.848 176.300 -0.123 0.000 1.069 764 M CA 1.363 56.703 55.300 0.067 0.000 1.117 764 M CB -0.522 32.190 32.600 0.187 0.000 1.334 764 M HN 0.244 nan 8.290 nan 0.000 0.407 765 L N 0.878 122.007 121.223 -0.156 0.000 2.081 765 L HA -0.233 4.100 4.340 -0.012 0.000 0.212 765 L C 2.437 178.990 176.870 -0.529 0.000 1.080 765 L CA 1.733 56.357 54.840 -0.360 0.000 0.754 765 L CB -1.077 40.796 42.059 -0.310 0.000 0.893 765 L HN 0.399 nan 8.230 nan 0.000 0.433 766 M N -2.154 117.175 119.600 -0.450 0.000 2.334 766 M HA -0.038 4.435 4.480 -0.012 0.000 0.266 766 M C 1.844 177.698 176.300 -0.744 0.000 1.082 766 M CA 1.249 56.191 55.300 -0.597 0.000 1.141 766 M CB -0.712 31.422 32.600 -0.776 0.000 1.380 766 M HN 0.332 nan 8.290 nan 0.000 0.440 767 H N -1.766 117.087 119.070 -0.363 0.000 2.927 767 H HA 0.210 4.759 4.556 -0.011 0.000 0.255 767 H C 0.150 175.237 175.328 -0.402 0.000 0.974 767 H CA 0.620 56.406 56.048 -0.437 0.000 1.199 767 H CB 0.246 29.686 29.762 -0.537 0.000 1.447 767 H HN 0.558 nan 8.280 nan 0.000 0.467 768 H N -0.300 118.826 119.070 0.093 0.000 2.779 768 H HA 0.187 4.736 4.556 -0.012 0.000 0.230 768 H C -0.753 174.592 175.328 0.029 0.000 1.365 768 H CA -0.463 55.626 56.048 0.068 0.000 1.086 768 H CB 0.543 30.349 29.762 0.073 0.000 2.038 768 H HN -0.066 nan 8.280 nan 0.000 0.558 769 D N 1.534 121.979 120.400 0.075 0.000 2.374 769 D HA 0.085 4.718 4.640 -0.012 0.000 0.240 769 D C 0.938 177.183 176.300 -0.092 0.000 1.229 769 D CA -0.144 53.868 54.000 0.020 0.000 0.895 769 D CB 0.600 41.402 40.800 0.004 0.000 1.046 769 D HN 0.398 nan 8.370 nan 0.000 0.498 770 R N 2.294 122.626 120.500 -0.279 0.000 2.235 770 R HA -0.027 4.306 4.340 -0.012 0.000 0.213 770 R C 0.503 176.270 176.300 -0.889 0.000 1.059 770 R CA 0.767 56.480 56.100 -0.646 0.000 0.997 770 R CB 0.200 29.889 30.300 -1.019 0.000 0.884 770 R HN 0.385 nan 8.270 nan 0.000 0.462 771 F N 1.414 121.319 119.950 -0.074 0.000 2.735 771 F HA 0.206 4.726 4.527 -0.011 0.000 0.304 771 F C -0.042 175.627 175.800 -0.218 0.000 1.119 771 F CA -0.930 57.007 58.000 -0.105 0.000 1.280 771 F CB 0.150 39.145 39.000 -0.008 0.000 0.994 771 F HN -0.195 nan 8.300 nan 0.000 0.520 772 K N -0.690 119.490 120.400 -0.366 0.000 4.166 772 K HA -0.207 4.106 4.320 -0.012 0.000 0.276 772 K C 0.777 177.250 176.600 -0.212 0.000 0.808 772 K CA 0.228 56.119 56.287 -0.659 0.000 0.717 772 K CB -1.798 30.060 32.500 -1.070 0.000 1.774 772 K HN 0.295 nan 8.250 nan 0.000 0.427 773 V N 0.922 120.789 119.914 -0.077 0.000 2.287 773 V HA -0.273 3.840 4.120 -0.012 0.000 0.248 773 V C 2.156 178.376 176.094 0.210 0.000 1.053 773 V CA 2.046 64.376 62.300 0.050 0.000 1.027 773 V CB -0.583 31.262 31.823 0.037 0.000 0.646 773 V HN 0.518 nan 8.190 nan 0.000 0.447 774 F N 0.906 120.862 119.950 0.011 0.000 2.126 774 F HA -0.178 4.342 4.527 -0.012 0.000 0.299 774 F C 2.516 178.109 175.800 -0.347 0.000 1.096 774 F CA 1.057 59.003 58.000 -0.089 0.000 1.255 774 F CB -1.630 37.323 39.000 -0.078 0.000 0.997 774 F HN 0.176 nan 8.300 nan 0.000 0.479 775 A N -0.558 122.080 122.820 -0.303 0.000 2.024 775 A HA -0.188 4.125 4.320 -0.012 0.000 0.220 775 A C 1.629 179.211 177.584 -0.004 0.000 1.164 775 A CA 2.079 53.867 52.037 -0.415 0.000 0.643 775 A CB -0.573 18.329 19.000 -0.163 0.000 0.806 775 A HN 0.262 nan 8.150 nan 0.000 0.451 776 D N -3.095 117.364 120.400 0.098 0.000 2.398 776 D HA 0.114 4.747 4.640 -0.012 0.000 0.210 776 D C 1.120 177.587 176.300 0.278 0.000 1.094 776 D CA -0.101 54.029 54.000 0.218 0.000 0.839 776 D CB -0.148 40.792 40.800 0.233 0.000 0.963 776 D HN 0.546 nan 8.370 nan 0.000 0.506 777 Y N 2.139 122.525 120.300 0.143 0.000 2.070 777 Y HA -0.230 4.314 4.550 -0.011 0.000 0.280 777 Y C 2.028 178.012 175.900 0.139 0.000 1.148 777 Y CA 1.926 60.120 58.100 0.156 0.000 1.125 777 Y CB 0.140 38.666 38.460 0.110 0.000 0.975 777 Y HN -0.097 nan 8.280 nan 0.000 0.492 778 E N -0.037 120.278 120.200 0.191 0.000 2.038 778 E HA -0.278 4.065 4.350 -0.012 0.000 0.195 778 E C 2.191 178.779 176.600 -0.020 0.000 1.000 778 E CA 1.696 58.128 56.400 0.053 0.000 0.803 778 E CB -0.257 29.555 29.700 0.186 0.000 0.750 778 E HN 0.628 nan 8.360 nan 0.000 0.448 779 E N -0.428 119.828 120.200 0.094 0.000 2.268 779 E HA -0.183 4.160 4.350 -0.012 0.000 0.195 779 E C 1.797 178.392 176.600 -0.009 0.000 0.995 779 E CA 0.474 56.944 56.400 0.117 0.000 0.836 779 E CB -0.006 29.853 29.700 0.265 0.000 0.763 779 E HN 0.244 nan 8.360 nan 0.000 0.491 780 Y N 0.571 120.669 120.300 -0.337 0.000 2.184 780 Y HA -0.172 4.371 4.550 -0.012 0.000 0.290 780 Y C 2.163 177.664 175.900 -0.665 0.000 1.129 780 Y CA 1.410 58.992 58.100 -0.863 0.000 1.144 780 Y CB -0.543 37.464 38.460 -0.754 0.000 0.995 780 Y HN -0.035 nan 8.280 nan 0.000 0.513 781 V N -0.568 118.969 119.914 -0.629 0.000 2.515 781 V HA -0.130 3.983 4.120 -0.012 0.000 0.250 781 V C 2.179 178.046 176.094 -0.379 0.000 1.058 781 V CA 2.151 64.105 62.300 -0.578 0.000 1.064 781 V CB -0.605 30.958 31.823 -0.433 0.000 0.675 781 V HN 0.195 nan 8.190 nan 0.000 0.461 782 K N 0.046 120.286 120.400 -0.267 0.000 2.026 782 K HA -0.091 4.222 4.320 -0.012 0.000 0.208 782 K C 2.264 178.778 176.600 -0.144 0.000 1.048 782 K CA 1.991 58.193 56.287 -0.143 0.000 0.929 782 K CB -1.282 31.182 32.500 -0.060 0.000 0.713 782 K HN 0.662 nan 8.250 nan 0.000 0.439 783 C N 0.821 120.008 119.300 -0.187 0.000 2.435 783 C HA -0.041 4.413 4.460 -0.012 0.000 0.279 783 C C 2.348 177.177 174.990 -0.269 0.000 1.321 783 C CA 0.590 59.530 59.018 -0.130 0.000 1.752 783 C CB -0.673 27.019 27.740 -0.080 0.000 1.959 783 C HN 0.443 nan 8.230 nan 0.000 0.500 784 Q N 0.351 119.853 119.800 -0.496 0.000 2.224 784 Q HA -0.138 4.195 4.340 -0.012 0.000 0.203 784 Q C 1.964 177.777 176.000 -0.311 0.000 0.970 784 Q CA 1.381 56.847 55.803 -0.561 0.000 0.865 784 Q CB -0.293 27.877 28.738 -0.947 0.000 0.922 784 Q HN 0.754 nan 8.270 nan 0.000 0.445 785 E N 0.288 120.362 120.200 -0.210 0.000 2.106 785 E HA -0.125 4.218 4.350 -0.012 0.000 0.192 785 E C 2.041 178.607 176.600 -0.056 0.000 0.984 785 E CA 0.579 56.915 56.400 -0.106 0.000 0.806 785 E CB 0.088 29.744 29.700 -0.073 0.000 0.750 785 E HN 0.233 nan 8.360 nan 0.000 0.458 786 R N 0.349 120.827 120.500 -0.036 0.000 2.115 786 R HA -0.106 4.227 4.340 -0.012 0.000 0.230 786 R C 2.650 178.999 176.300 0.082 0.000 1.111 786 R CA 1.405 57.554 56.100 0.082 0.000 0.976 786 R CB -0.498 29.919 30.300 0.195 0.000 0.870 786 R HN 0.223 nan 8.270 nan 0.000 0.445 787 V N -1.419 118.360 119.914 -0.225 0.000 2.548 787 V HA -0.098 4.015 4.120 -0.012 0.000 0.249 787 V C 1.945 178.075 176.094 0.060 0.000 1.055 787 V CA 1.776 63.881 62.300 -0.325 0.000 1.065 787 V CB -0.022 31.339 31.823 -0.771 0.000 0.681 787 V HN 0.072 nan 8.190 nan 0.000 0.462 788 S N 0.970 116.643 115.700 -0.045 0.000 2.368 788 S HA -0.028 4.435 4.470 -0.012 0.000 0.225 788 S C 2.270 176.922 174.600 0.087 0.000 1.030 788 S CA 1.658 59.847 58.200 -0.017 0.000 0.999 788 S CB -0.631 62.533 63.200 -0.061 0.000 0.844 788 S HN 0.963 nan 8.310 nan 0.000 0.459 789 A N 1.288 124.169 122.820 0.102 0.000 1.902 789 A HA 0.006 4.319 4.320 -0.012 0.000 0.217 789 A C 2.070 179.767 177.584 0.188 0.000 1.181 789 A CA 1.070 53.185 52.037 0.130 0.000 0.623 789 A CB -0.681 18.389 19.000 0.117 0.000 0.818 789 A HN 0.467 nan 8.150 nan 0.000 0.443 790 L N -1.971 119.432 121.223 0.299 0.000 2.217 790 L HA -0.111 4.222 4.340 -0.012 0.000 0.211 790 L C 2.350 179.506 176.870 0.476 0.000 1.107 790 L CA 1.519 56.616 54.840 0.429 0.000 0.783 790 L CB -0.377 42.052 42.059 0.616 0.000 0.919 790 L HN 0.613 nan 8.230 nan 0.000 0.442 791 Y N 0.734 121.111 120.300 0.128 0.000 2.439 791 Y HA -0.201 4.342 4.550 -0.010 0.000 0.292 791 Y C 2.386 178.176 175.900 -0.184 0.000 1.130 791 Y CA 1.358 59.221 58.100 -0.396 0.000 1.254 791 Y CB 0.022 38.015 38.460 -0.778 0.000 1.000 791 Y HN 0.024 nan 8.280 nan 0.000 0.554 792 K N 0.058 120.464 120.400 0.010 0.000 2.439 792 K HA -0.099 4.214 4.320 -0.012 0.000 0.197 792 K C 0.338 176.908 176.600 -0.048 0.000 1.041 792 K CA 0.552 56.839 56.287 0.000 0.000 0.970 792 K CB -0.039 32.513 32.500 0.087 0.000 0.773 792 K HN 0.039 nan 8.250 nan 0.000 0.479 793 N N 0.431 119.118 118.700 -0.021 0.000 3.012 793 N HA 0.137 4.870 4.740 -0.012 0.000 0.270 793 N C -2.432 173.073 175.510 -0.007 0.000 1.469 793 N CA -2.218 50.834 53.050 0.003 0.000 0.928 793 N CB 1.013 39.541 38.487 0.068 0.000 1.219 793 N HN -0.178 nan 8.380 nan 0.000 0.492 794 P HA -0.245 nan 4.420 nan 0.000 0.219 794 P C 1.386 178.692 177.300 0.011 0.000 1.158 794 P CA 1.390 64.409 63.100 -0.134 0.000 0.895 794 P CB 0.330 31.930 31.700 -0.167 0.000 0.792 795 R N -0.436 120.074 120.500 0.016 0.000 2.081 795 R HA -0.152 4.181 4.340 -0.012 0.000 0.235 795 R C 1.990 178.335 176.300 0.074 0.000 1.131 795 R CA 1.345 57.469 56.100 0.039 0.000 0.960 795 R CB -0.270 30.044 30.300 0.024 0.000 0.856 795 R HN 0.113 nan 8.270 nan 0.000 0.436 796 E N -0.241 120.015 120.200 0.094 0.000 2.158 796 E HA -0.195 4.148 4.350 -0.012 0.000 0.191 796 E C 1.538 178.227 176.600 0.148 0.000 0.982 796 E CA 0.553 57.014 56.400 0.102 0.000 0.823 796 E CB -0.401 29.359 29.700 0.100 0.000 0.766 796 E HN 0.484 nan 8.360 nan 0.000 0.468 797 W N 2.150 123.453 121.300 0.005 0.000 2.354 797 W HA -0.186 4.466 4.660 -0.013 0.000 0.315 797 W C 1.648 178.180 176.519 0.022 0.000 1.206 797 W CA 2.168 59.533 57.345 0.033 0.000 1.290 797 W CB -0.461 28.994 29.460 -0.008 0.000 1.152 797 W HN 0.037 nan 8.180 nan 0.000 0.489 798 T N 1.212 115.927 114.554 0.268 0.000 2.803 798 T HA -0.198 4.145 4.350 -0.012 0.000 0.269 798 T C 1.818 176.546 174.700 0.047 0.000 1.052 798 T CA 1.686 63.868 62.100 0.136 0.000 1.136 798 T CB -0.338 68.586 68.868 0.093 0.000 0.864 798 T HN 0.190 nan 8.240 nan 0.000 0.467 799 R N 0.170 120.699 120.500 0.049 0.000 2.115 799 R HA 0.165 4.498 4.340 -0.012 0.000 0.226 799 R C 2.446 178.745 176.300 -0.001 0.000 1.100 799 R CA 0.918 57.041 56.100 0.039 0.000 0.980 799 R CB -0.265 30.061 30.300 0.043 0.000 0.875 799 R HN 0.376 nan 8.270 nan 0.000 0.445 800 M N 0.264 119.827 119.600 -0.060 0.000 2.200 800 M HA -0.106 4.367 4.480 -0.012 0.000 0.265 800 M C 1.910 178.128 176.300 -0.137 0.000 1.066 800 M CA 1.173 56.397 55.300 -0.127 0.000 1.127 800 M CB 0.261 32.722 32.600 -0.231 0.000 1.379 800 M HN -0.036 nan 8.290 nan 0.000 0.420 801 V N 0.905 120.727 119.914 -0.153 0.000 2.287 801 V HA -0.316 3.797 4.120 -0.012 0.000 0.248 801 V C 2.172 178.255 176.094 -0.019 0.000 1.053 801 V CA 2.034 64.272 62.300 -0.104 0.000 1.027 801 V CB -0.556 31.238 31.823 -0.049 0.000 0.646 801 V HN 0.492 nan 8.190 nan 0.000 0.447 802 I N -0.638 119.944 120.570 0.020 0.000 2.335 802 I HA -0.273 3.890 4.170 -0.012 0.000 0.251 802 I C 2.642 178.807 176.117 0.080 0.000 1.129 802 I CA 1.434 62.790 61.300 0.092 0.000 1.402 802 I CB -0.286 37.815 38.000 0.168 0.000 1.069 802 I HN 0.180 nan 8.210 nan 0.000 0.424 803 R N 0.726 121.250 120.500 0.039 0.000 2.115 803 R HA -0.063 4.270 4.340 -0.012 0.000 0.226 803 R C 2.024 178.354 176.300 0.049 0.000 1.100 803 R CA 1.151 57.272 56.100 0.036 0.000 0.980 803 R CB -0.193 30.111 30.300 0.006 0.000 0.875 803 R HN 0.423 nan 8.270 nan 0.000 0.445 804 N N -0.279 118.443 118.700 0.036 0.000 2.148 804 N HA -0.066 4.667 4.740 -0.012 0.000 0.186 804 N C 1.786 177.351 175.510 0.092 0.000 1.031 804 N CA 1.356 54.448 53.050 0.070 0.000 0.848 804 N CB -0.007 38.488 38.487 0.013 0.000 1.005 804 N HN 0.121 nan 8.380 nan 0.000 0.427 805 I N 1.845 122.458 120.570 0.070 0.000 2.118 805 I HA -0.275 3.888 4.170 -0.012 0.000 0.241 805 I C 2.359 178.523 176.117 0.079 0.000 1.070 805 I CA 1.195 62.541 61.300 0.077 0.000 1.327 805 I CB -0.345 37.695 38.000 0.066 0.000 1.034 805 I HN 0.096 nan 8.210 nan 0.000 0.405 806 A N -1.239 121.627 122.820 0.077 0.000 2.178 806 A HA -0.184 4.129 4.320 -0.012 0.000 0.218 806 A C 2.163 179.782 177.584 0.059 0.000 1.157 806 A CA 2.104 54.178 52.037 0.062 0.000 0.689 806 A CB -0.589 18.453 19.000 0.070 0.000 0.787 806 A HN 0.423 nan 8.150 nan 0.000 0.465 807 T N -1.200 113.404 114.554 0.083 0.000 3.132 807 T HA 0.134 4.477 4.350 -0.012 0.000 0.274 807 T C 1.444 176.229 174.700 0.143 0.000 1.011 807 T CA 0.679 62.833 62.100 0.090 0.000 0.899 807 T CB -0.369 68.555 68.868 0.093 0.000 1.089 807 T HN 0.602 nan 8.240 nan 0.000 0.543 808 S N -0.810 114.991 115.700 0.169 0.000 2.558 808 S HA 0.186 4.649 4.470 -0.012 0.000 0.217 808 S C 2.292 177.009 174.600 0.195 0.000 0.975 808 S CA 0.522 58.891 58.200 0.281 0.000 0.912 808 S CB -0.300 63.048 63.200 0.248 0.000 0.776 808 S HN 0.427 nan 8.310 nan 0.000 0.526 809 G N 2.813 111.661 108.800 0.081 0.000 2.503 809 G HA2 -0.318 3.635 3.960 -0.012 0.000 0.221 809 G HA3 -0.318 3.635 3.960 -0.012 0.000 0.221 809 G C 1.335 176.198 174.900 -0.061 0.000 1.131 809 G CA 1.095 46.214 45.100 0.031 0.000 0.756 809 G HN 0.577 nan 8.290 nan 0.000 0.572 810 K N -0.187 120.069 120.400 -0.241 0.000 2.360 810 K HA -0.014 4.299 4.320 -0.012 0.000 0.201 810 K C 0.759 177.021 176.600 -0.564 0.000 1.046 810 K CA 0.453 56.458 56.287 -0.470 0.000 0.945 810 K CB -0.201 31.865 32.500 -0.723 0.000 0.750 810 K HN 0.372 nan 8.250 nan 0.000 0.464 811 F N 0.803 120.786 119.950 0.054 0.000 2.660 811 F HA 0.180 4.700 4.527 -0.012 0.000 0.297 811 F C 0.708 176.557 175.800 0.081 0.000 1.132 811 F CA -0.416 57.623 58.000 0.065 0.000 1.372 811 F CB 0.234 39.269 39.000 0.058 0.000 1.003 811 F HN -0.162 nan 8.300 nan 0.000 0.524 812 S N -0.032 115.757 115.700 0.149 0.000 2.537 812 S HA 0.169 4.632 4.470 -0.012 0.000 0.275 812 S C 1.374 176.062 174.600 0.147 0.000 1.272 812 S CA -0.215 58.070 58.200 0.141 0.000 1.050 812 S CB 0.884 64.135 63.200 0.085 0.000 0.961 812 S HN 0.310 nan 8.310 nan 0.000 0.496 813 S N 3.081 118.892 115.700 0.184 0.000 2.547 813 S HA -0.051 4.412 4.470 -0.012 0.000 0.235 813 S C 0.810 175.467 174.600 0.093 0.000 0.980 813 S CA 0.535 58.867 58.200 0.219 0.000 0.941 813 S CB -0.291 63.107 63.200 0.331 0.000 0.763 813 S HN 0.778 nan 8.310 nan 0.000 0.532 814 D N 1.687 122.126 120.400 0.065 0.000 2.183 814 D HA -0.022 4.611 4.640 -0.012 0.000 0.203 814 D C 2.086 178.390 176.300 0.008 0.000 0.969 814 D CA 0.570 54.584 54.000 0.024 0.000 0.842 814 D CB -0.243 40.569 40.800 0.020 0.000 0.957 814 D HN 0.289 nan 8.370 nan 0.000 0.484 815 R N 0.855 121.364 120.500 0.015 0.000 2.073 815 R HA -0.057 4.276 4.340 -0.012 0.000 0.229 815 R C 1.740 178.036 176.300 -0.008 0.000 1.120 815 R CA 1.175 57.270 56.100 -0.009 0.000 0.967 815 R CB -0.572 29.711 30.300 -0.029 0.000 0.862 815 R HN 0.084 nan 8.270 nan 0.000 0.436 816 T N 2.173 116.747 114.554 0.034 0.000 2.708 816 T HA -0.101 4.242 4.350 -0.012 0.000 0.266 816 T C 1.923 176.634 174.700 0.019 0.000 1.037 816 T CA 1.237 63.380 62.100 0.071 0.000 1.146 816 T CB -0.104 68.894 68.868 0.218 0.000 0.865 816 T HN 0.087 nan 8.240 nan 0.000 0.435 817 I N 1.786 122.283 120.570 -0.122 0.000 2.286 817 I HA -0.070 4.093 4.170 -0.012 0.000 0.248 817 I C 2.892 178.964 176.117 -0.075 0.000 1.115 817 I CA 0.835 62.022 61.300 -0.187 0.000 1.392 817 I CB -1.632 36.259 38.000 -0.181 0.000 1.065 817 I HN 0.198 nan 8.210 nan 0.000 0.418 818 A N 0.008 122.802 122.820 -0.043 0.000 1.972 818 A HA -0.217 4.096 4.320 -0.012 0.000 0.219 818 A C 2.250 179.794 177.584 -0.067 0.000 1.169 818 A CA 1.316 53.335 52.037 -0.030 0.000 0.635 818 A CB -0.460 18.528 19.000 -0.020 0.000 0.810 818 A HN 0.508 nan 8.150 nan 0.000 0.446 819 Q N -2.006 117.734 119.800 -0.100 0.000 2.096 819 Q HA -0.111 4.222 4.340 -0.012 0.000 0.197 819 Q C 1.883 177.718 176.000 -0.274 0.000 0.964 819 Q CA 1.351 57.056 55.803 -0.162 0.000 0.838 819 Q CB -0.253 28.377 28.738 -0.180 0.000 0.906 819 Q HN 0.803 nan 8.270 nan 0.000 0.444 820 Y N 0.770 120.791 120.300 -0.465 0.000 2.128 820 Y HA -0.302 4.241 4.550 -0.012 0.000 0.284 820 Y C 2.459 177.796 175.900 -0.939 0.000 1.154 820 Y CA 1.381 58.964 58.100 -0.862 0.000 1.149 820 Y CB -0.453 37.200 38.460 -1.345 0.000 0.976 820 Y HN 0.159 nan 8.280 nan 0.000 0.505 821 A N 0.389 122.970 122.820 -0.399 0.000 1.851 821 A HA -0.251 4.062 4.320 -0.012 0.000 0.216 821 A C 2.270 179.860 177.584 0.011 0.000 1.195 821 A CA 2.239 54.283 52.037 0.013 0.000 0.622 821 A CB -0.654 18.436 19.000 0.150 0.000 0.831 821 A HN 0.438 nan 8.150 nan 0.000 0.444 822 R N -0.520 119.955 120.500 -0.042 0.000 2.062 822 R HA -0.068 4.265 4.340 -0.012 0.000 0.229 822 R C 1.925 178.202 176.300 -0.038 0.000 1.128 822 R CA 1.540 57.627 56.100 -0.021 0.000 0.960 822 R CB -0.314 29.969 30.300 -0.029 0.000 0.855 822 R HN 0.676 nan 8.270 nan 0.000 0.432 823 E N -0.276 119.862 120.200 -0.102 0.000 2.442 823 E HA 0.054 4.397 4.350 -0.012 0.000 0.195 823 E C 1.453 178.004 176.600 -0.081 0.000 1.030 823 E CA 0.540 56.883 56.400 -0.094 0.000 0.869 823 E CB 0.428 30.047 29.700 -0.135 0.000 0.857 823 E HN 0.374 nan 8.360 nan 0.000 0.505 824 I N -1.441 119.051 120.570 -0.131 0.000 3.746 824 I HA 0.020 4.183 4.170 -0.012 0.000 0.262 824 I C 1.397 177.635 176.117 0.202 0.000 1.153 824 I CA -0.109 61.167 61.300 -0.039 0.000 1.395 824 I CB 0.036 37.867 38.000 -0.281 0.000 1.589 824 I HN 0.106 nan 8.210 nan 0.000 0.441 825 W N 1.879 123.272 121.300 0.154 0.000 2.436 825 W HA 0.226 4.879 4.660 -0.012 0.000 0.284 825 W C 1.565 178.124 176.519 0.067 0.000 1.225 825 W CA 1.182 58.600 57.345 0.120 0.000 1.271 825 W CB -1.084 28.432 29.460 0.094 0.000 1.114 825 W HN 0.379 nan 8.180 nan 0.000 0.559 826 G N 0.667 109.607 108.800 0.234 0.000 2.248 826 G HA2 -0.083 3.870 3.960 -0.012 0.000 0.263 826 G HA3 -0.083 3.870 3.960 -0.012 0.000 0.263 826 G C -0.360 174.616 174.900 0.127 0.000 1.082 826 G CA 0.114 45.295 45.100 0.136 0.000 0.863 826 G HN 0.472 nan 8.290 nan 0.000 0.495 827 V N -4.291 115.715 119.914 0.154 0.000 2.962 827 V HA 0.926 5.039 4.120 -0.012 0.000 0.313 827 V C -0.446 175.706 176.094 0.097 0.000 1.099 827 V CA -1.645 60.727 62.300 0.119 0.000 0.971 827 V CB 2.364 34.270 31.823 0.138 0.000 1.028 827 V HN 0.123 nan 8.190 nan 0.000 0.430 828 E N 3.612 123.853 120.200 0.068 0.000 2.134 828 E HA 0.537 4.880 4.350 -0.012 0.000 0.278 828 E C -2.510 174.122 176.600 0.054 0.000 0.959 828 E CA -1.773 54.659 56.400 0.053 0.000 0.783 828 E CB 1.872 31.596 29.700 0.040 0.000 1.095 828 E HN 0.762 nan 8.360 nan 0.000 0.399 829 P HA 0.074 nan 4.420 nan 0.000 0.270 829 P C -0.556 176.768 177.300 0.040 0.000 1.223 829 P CA -0.276 62.852 63.100 0.047 0.000 0.785 829 P CB 0.766 32.490 31.700 0.039 0.000 0.923 830 S N 0.952 116.677 115.700 0.040 0.000 2.614 830 S HA 0.320 4.783 4.470 -0.012 0.000 0.275 830 S C 0.025 174.645 174.600 0.034 0.000 1.161 830 S CA -0.889 57.334 58.200 0.037 0.000 0.969 830 S CB 1.109 64.335 63.200 0.045 0.000 1.059 830 S HN 0.290 nan 8.310 nan 0.000 0.482 831 R N 2.756 123.273 120.500 0.029 0.000 2.978 831 R HA 0.200 4.533 4.340 -0.012 0.000 0.298 831 R C -0.178 176.133 176.300 0.018 0.000 1.296 831 R CA -0.057 56.059 56.100 0.027 0.000 1.181 831 R CB 0.093 30.411 30.300 0.029 0.000 1.348 831 R HN 0.670 nan 8.270 nan 0.000 0.585 832 Q N 0.971 120.781 119.800 0.017 0.000 2.294 832 Q HA 0.195 4.528 4.340 -0.012 0.000 0.257 832 Q C -0.400 175.594 176.000 -0.011 0.000 0.955 832 Q CA -0.448 55.358 55.803 0.006 0.000 0.936 832 Q CB 1.345 30.091 28.738 0.014 0.000 1.188 832 Q HN -0.106 nan 8.270 nan 0.000 0.420 833 R N 1.778 122.265 120.500 -0.021 0.000 2.484 833 R HA 0.034 4.367 4.340 -0.012 0.000 0.293 833 R C -0.485 175.781 176.300 -0.056 0.000 1.023 833 R CA -0.142 55.934 56.100 -0.040 0.000 1.037 833 R CB 0.074 30.349 30.300 -0.041 0.000 0.951 833 R HN 0.418 nan 8.270 nan 0.000 0.418 834 L N 6.633 127.808 121.223 -0.080 0.000 2.461 834 L HA 0.187 4.521 4.340 -0.012 0.000 0.272 834 L C -1.660 175.153 176.870 -0.095 0.000 1.197 834 L CA -1.795 52.968 54.840 -0.129 0.000 0.836 834 L CB 0.430 42.387 42.059 -0.170 0.000 1.105 834 L HN 0.611 nan 8.230 nan 0.000 0.477 835 P HA 0.025 nan 4.420 nan 0.000 0.208 835 P C 0.016 177.292 177.300 -0.040 0.000 1.341 835 P CA 0.692 63.761 63.100 -0.052 0.000 1.235 835 P CB -0.701 30.977 31.700 -0.036 0.000 1.764 836 A N 4.728 127.526 122.820 -0.037 0.000 6.759 836 A HA -0.178 4.135 4.320 -0.012 0.000 0.308 836 A C -1.339 176.232 177.584 -0.021 0.000 2.086 836 A CA 0.516 52.537 52.037 -0.026 0.000 1.123 836 A CB -1.882 17.110 19.000 -0.015 0.000 1.078 836 A HN 0.372 nan 8.150 nan 0.000 0.457 837 P HA 0.178 nan 4.420 nan 0.000 0.244 837 P C 0.099 177.404 177.300 0.009 0.000 1.191 837 P CA 0.562 63.666 63.100 0.006 0.000 0.829 837 P CB -0.357 31.357 31.700 0.024 0.000 1.008 838 D N 1.854 122.258 120.400 0.007 0.000 5.561 838 D HA -0.191 4.442 4.640 -0.012 0.000 0.166 838 D C 1.459 177.762 176.300 0.005 0.000 1.127 838 D CA 0.764 54.767 54.000 0.006 0.000 0.720 838 D CB 0.160 40.961 40.800 0.003 0.000 1.322 838 D HN 0.091 nan 8.370 nan 0.000 0.745 839 E N 2.940 123.142 120.200 0.004 0.000 2.965 839 E HA -0.448 3.895 4.350 -0.012 0.000 0.215 839 E C 0.178 176.778 176.600 0.000 0.000 0.862 839 E CA 2.762 59.161 56.400 -0.000 0.000 1.372 839 E CB -0.265 29.433 29.700 -0.003 0.000 1.425 839 E HN 0.895 nan 8.360 nan 0.000 0.458 840 K N -0.497 119.903 120.400 -0.000 0.000 7.396 840 K HA -0.165 4.148 4.320 -0.012 0.000 0.647 840 K C -0.657 175.941 176.600 -0.003 0.000 2.584 840 K CA 1.254 57.541 56.287 0.000 0.000 1.938 840 K CB -0.652 31.850 32.500 0.004 0.000 1.962 840 K HN 0.328 nan 8.250 nan 0.000 0.295 841 I N 3.528 124.096 120.570 -0.004 0.000 2.642 841 I HA 0.309 4.472 4.170 -0.012 0.000 0.273 841 I C -1.980 174.133 176.117 -0.007 0.000 1.208 841 I CA -1.597 59.698 61.300 -0.008 0.000 1.037 841 I CB 0.467 38.460 38.000 -0.012 0.000 1.253 841 I HN 0.944 nan 8.210 nan 0.000 0.504 842 P HA 0.000 nan 4.420 nan 0.000 0.216 842 P CA 0.000 63.099 63.100 -0.002 0.000 0.800 842 P CB 0.000 31.702 31.700 0.004 0.000 0.726