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 2qf7_1_A DATA FIRST_RESID 1 DATA SEQUENCE GPISKILVAN RSEIAIRVFR AANELGIKTV AIWAEEDKLA LHRFKADESY DATA SEQUENCE QVGRGPHLAR DLGPIESYLS IDEVIRVAKL SGADAIHPGY GLLSESPEFV DATA SEQUENCE DACNKAGIIF IGPKADTMRQ LGNKVAARNL AISVGVPVVX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXKL VERARHVESQ ILGDTHGNVV HLFERDCSVQ RRNQKVVERA DATA SEQUENCE PAPYLSEAQR QELAAYSLKI AGATNYIGAG TVEYLMDADT GKFYFIEVNP DATA SEQUENCE RIQVEHTVTE VVTGIDIVKA QIHILDGAAI GTPQSGVPNQ EDIRLNGHAL DATA SEQUENCE QCRVTTEDPE HNFIPDYGRI TAYRSASGFG IRLDGGTSYS GAIITRYYDP DATA SEQUENCE LLVKVTAWAP NPLEAISRMD RALREFRIRG VATNLTFLEA IIGHPKFRDN DATA SEQUENCE SYTTRFIDTT PELFQQVKRQ DRATKLLTYL ADVTVNGHPE AKDRPKPLEN DATA SEQUENCE AARPVVPYAX GNGVKDGTKQ LLDTLGPKKF GEWMRNEKRV LLTDTTMRDG DATA SEQUENCE HQSLLATRMR TYDIARIAGT YSHALPNLLS LECWGGATFD VSMRFLTEDP DATA SEQUENCE WERLALIREG APNLLLQMLL RGANGVGYTN YPDNVVKYFV RQAAKGGIDL DATA SEQUENCE FRVFDCLNWV ENMRVSMDAI AEENKLCEAA ICYTGDILNS ARPKYDLKYY DATA SEQUENCE TNLAVELEKA GAHIIAVXDM AGLLKPAAAK VLFKALREAT GLPIHFHTHD DATA SEQUENCE TSGIAAATVL AAVEAGVDAV DAAMDALSGN TSQPCLGSIV EALSGSERDP DATA SEQUENCE GLDPAWIRRI SFYWEAVRNQ YAAFESDLKG PASEVYLHEM PGGQFTNLKE DATA SEQUENCE QARSLGLETR WHQVAQAYAD ANQMFGDIVK VTPSSKVVGD MALMMVSQDL DATA SEQUENCE TVADVVSPDR EVSFPESVVS MLKGDLGQPP SGWPEALQKK ALKGEKPYTV DATA SEQUENCE RPGSLLKEAD LDAERKVIEK KLEREVSDFE FASYLMYPKV FTDFALASDT DATA SEQUENCE YGPVSVLPTP AYFYGLADGE ELFADIEKGK TLVIVNQAVS ATDSQGMVTV DATA SEQUENCE FFELNGQPRR IKVPDRAHGA TGAAVRRKAE PGNAAHVGAP MPGVISRVFV DATA SEQUENCE SSGQAVXXXD VLVSIEAXXX ETAIHAEKDG TIAEVLVKAG DQIDAKDLLA DATA SEQUENCE VY 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 1 G HA2 0.000 nan 3.960 nan 0.000 0.244 1 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 1 G C 0.000 174.913 174.900 0.022 0.000 0.946 1 G CA 0.000 45.110 45.100 0.017 0.000 0.502 2 P HA 0.483 nan 4.420 nan 0.000 0.275 2 P C -0.090 177.229 177.300 0.032 0.000 1.228 2 P CA -0.405 62.716 63.100 0.035 0.000 0.786 2 P CB 0.967 32.693 31.700 0.043 0.000 0.927 3 I N 1.688 122.278 120.570 0.033 0.000 2.662 3 I HA -0.099 4.071 4.170 -0.000 0.000 0.285 3 I C 1.455 177.590 176.117 0.031 0.000 1.161 3 I CA 0.641 61.958 61.300 0.027 0.000 1.415 3 I CB 0.235 38.247 38.000 0.020 0.000 1.385 3 I HN 0.500 nan 8.210 nan 0.000 0.552 4 S N 4.736 120.454 115.700 0.030 0.000 2.604 4 S HA 0.208 4.678 4.470 -0.000 0.000 0.235 4 S C 0.281 174.902 174.600 0.034 0.000 1.043 4 S CA -0.439 57.779 58.200 0.031 0.000 0.997 4 S CB 0.403 63.620 63.200 0.028 0.000 0.956 4 S HN 0.650 nan 8.310 nan 0.000 0.535 5 K N 0.886 121.309 120.400 0.038 0.000 2.565 5 K HA 0.586 4.906 4.320 -0.000 0.000 0.249 5 K C -2.025 174.611 176.600 0.060 0.000 0.958 5 K CA -0.605 55.711 56.287 0.048 0.000 0.806 5 K CB 1.513 34.041 32.500 0.048 0.000 1.194 5 K HN 0.267 nan 8.250 nan 0.000 0.434 6 I N 5.250 125.868 120.570 0.081 0.000 2.406 6 I HA 0.295 4.464 4.170 -0.000 0.000 0.290 6 I C -0.412 175.796 176.117 0.151 0.000 0.999 6 I CA -1.070 60.293 61.300 0.105 0.000 1.124 6 I CB 1.753 39.820 38.000 0.112 0.000 1.289 6 I HN 0.520 nan 8.210 nan 0.000 0.441 7 L N 7.725 129.039 121.223 0.152 0.000 2.305 7 L HA 0.435 4.775 4.340 -0.000 0.000 0.281 7 L C -0.664 176.340 176.870 0.223 0.000 1.085 7 L CA -0.382 54.577 54.840 0.199 0.000 0.813 7 L CB 1.108 43.267 42.059 0.167 0.000 1.157 7 L HN 0.316 nan 8.230 nan 0.000 0.436 8 V N 5.850 125.935 119.914 0.285 0.000 2.348 8 V HA 0.329 4.449 4.120 -0.000 0.000 0.270 8 V C 0.804 176.994 176.094 0.160 0.000 1.037 8 V CA -0.275 62.130 62.300 0.175 0.000 0.872 8 V CB 0.986 32.808 31.823 -0.001 0.000 1.002 8 V HN 0.905 nan 8.190 nan 0.000 0.464 9 A N 5.122 128.023 122.820 0.136 0.000 3.118 9 A HA 0.457 4.777 4.320 -0.000 0.000 0.256 9 A C 0.447 178.044 177.584 0.022 0.000 1.667 9 A CA 0.083 52.191 52.037 0.118 0.000 1.338 9 A CB -0.723 18.347 19.000 0.117 0.000 1.127 9 A HN 0.772 nan 8.150 nan 0.000 0.634 10 N N 0.119 118.796 118.700 -0.038 0.000 3.449 10 N HA 0.454 5.194 4.740 -0.000 0.000 0.312 10 N C -1.060 174.153 175.510 -0.494 0.000 1.557 10 N CA -0.404 52.478 53.050 -0.279 0.000 0.864 10 N CB 1.307 39.593 38.487 -0.335 0.000 1.799 10 N HN 0.650 nan 8.380 nan 0.000 0.554 11 R N -0.568 119.469 120.500 -0.772 0.000 2.766 11 R HA 0.689 5.029 4.340 -0.000 0.000 0.270 11 R C 0.071 175.897 176.300 -0.790 0.000 1.035 11 R CA -0.189 55.174 56.100 -1.228 0.000 0.911 11 R CB 0.724 30.314 30.300 -1.183 0.000 1.243 11 R HN 0.651 nan 8.270 nan 0.000 0.460 12 S N -0.302 115.033 115.700 -0.608 0.000 3.330 12 S HA -0.310 4.160 4.470 -0.000 0.000 0.630 12 S C 1.246 175.742 174.600 -0.174 0.000 2.776 12 S CA 1.667 59.738 58.200 -0.214 0.000 3.494 12 S CB -1.157 61.926 63.200 -0.195 0.000 0.291 12 S HN 1.097 nan 8.310 nan 0.000 1.451 13 E N 0.858 120.999 120.200 -0.098 0.000 2.110 13 E HA -0.072 4.278 4.350 -0.000 0.000 0.193 13 E C 1.809 178.342 176.600 -0.112 0.000 0.988 13 E CA 2.147 58.523 56.400 -0.041 0.000 0.804 13 E CB -0.585 29.144 29.700 0.048 0.000 0.745 13 E HN 0.616 nan 8.360 nan 0.000 0.458 14 I N 0.652 121.082 120.570 -0.233 0.000 2.353 14 I HA 0.029 4.199 4.170 -0.000 0.000 0.248 14 I C 2.179 178.032 176.117 -0.440 0.000 1.119 14 I CA 1.169 62.270 61.300 -0.332 0.000 1.417 14 I CB -0.820 36.766 38.000 -0.690 0.000 1.078 14 I HN 0.215 nan 8.210 nan 0.000 0.421 15 A N 0.567 123.068 122.820 -0.533 0.000 1.877 15 A HA -0.186 4.134 4.320 -0.000 0.000 0.216 15 A C 2.337 179.319 177.584 -1.004 0.000 1.186 15 A CA 2.087 53.636 52.037 -0.814 0.000 0.620 15 A CB -1.026 17.529 19.000 -0.741 0.000 0.822 15 A HN 0.468 nan 8.150 nan 0.000 0.443 16 I N -0.931 119.354 120.570 -0.474 0.000 2.286 16 I HA -0.258 3.912 4.170 -0.000 0.000 0.248 16 I C 2.640 178.694 176.117 -0.104 0.000 1.115 16 I CA 1.645 62.854 61.300 -0.151 0.000 1.392 16 I CB -0.247 37.779 38.000 0.043 0.000 1.065 16 I HN 0.331 nan 8.210 nan 0.000 0.418 17 R N 1.180 121.599 120.500 -0.135 0.000 2.083 17 R HA -0.154 4.185 4.340 -0.000 0.000 0.237 17 R C 2.039 178.261 176.300 -0.129 0.000 1.137 17 R CA 1.985 58.044 56.100 -0.068 0.000 0.951 17 R CB -0.961 29.328 30.300 -0.018 0.000 0.851 17 R HN 0.178 nan 8.270 nan 0.000 0.434 18 V N 0.456 120.186 119.914 -0.306 0.000 2.358 18 V HA -0.185 3.935 4.120 -0.000 0.000 0.246 18 V C 2.113 178.161 176.094 -0.076 0.000 1.047 18 V CA 1.736 63.840 62.300 -0.326 0.000 1.035 18 V CB -0.734 30.730 31.823 -0.599 0.000 0.658 18 V HN 0.162 nan 8.190 nan 0.000 0.452 19 F N 0.966 120.880 119.950 -0.061 0.000 2.126 19 F HA -0.153 4.374 4.527 -0.000 0.000 0.299 19 F C 2.537 178.333 175.800 -0.007 0.000 1.096 19 F CA 1.286 59.276 58.000 -0.016 0.000 1.255 19 F CB -1.078 37.930 39.000 0.013 0.000 0.997 19 F HN 0.091 nan 8.300 nan 0.000 0.479 20 R N 0.041 120.648 120.500 0.178 0.000 2.070 20 R HA -0.104 4.236 4.340 -0.000 0.000 0.233 20 R C 2.503 178.847 176.300 0.073 0.000 1.137 20 R CA 1.397 57.563 56.100 0.110 0.000 0.945 20 R CB -0.936 29.416 30.300 0.086 0.000 0.845 20 R HN 0.254 nan 8.270 nan 0.000 0.430 21 A N 1.269 124.115 122.820 0.043 0.000 1.883 21 A HA -0.191 4.129 4.320 -0.000 0.000 0.217 21 A C 2.381 179.978 177.584 0.022 0.000 1.186 21 A CA 1.973 54.022 52.037 0.020 0.000 0.624 21 A CB -0.829 18.160 19.000 -0.018 0.000 0.822 21 A HN 0.442 nan 8.150 nan 0.000 0.444 22 A N -0.189 122.654 122.820 0.039 0.000 1.873 22 A HA -0.170 4.150 4.320 -0.000 0.000 0.215 22 A C 1.958 179.573 177.584 0.051 0.000 1.186 22 A CA 1.795 53.859 52.037 0.045 0.000 0.616 22 A CB -0.598 18.454 19.000 0.087 0.000 0.823 22 A HN 0.532 nan 8.150 nan 0.000 0.442 23 N N 0.020 118.761 118.700 0.067 0.000 2.188 23 N HA -0.111 4.629 4.740 -0.000 0.000 0.184 23 N C 1.598 177.135 175.510 0.045 0.000 1.018 23 N CA 1.426 54.506 53.050 0.050 0.000 0.858 23 N CB -0.424 38.093 38.487 0.050 0.000 0.989 23 N HN 0.651 nan 8.380 nan 0.000 0.426 24 E N 0.390 120.619 120.200 0.048 0.000 2.160 24 E HA -0.096 4.254 4.350 -0.000 0.000 0.195 24 E C 1.271 177.901 176.600 0.050 0.000 0.991 24 E CA 0.609 57.037 56.400 0.047 0.000 0.810 24 E CB -0.088 29.642 29.700 0.050 0.000 0.742 24 E HN 0.338 nan 8.360 nan 0.000 0.466 25 L N -0.262 120.989 121.223 0.047 0.000 2.627 25 L HA 0.109 4.449 4.340 -0.000 0.000 0.233 25 L C 1.216 178.118 176.870 0.053 0.000 1.144 25 L CA 0.265 55.140 54.840 0.059 0.000 0.892 25 L CB -0.124 41.953 42.059 0.030 0.000 1.039 25 L HN 0.276 nan 8.230 nan 0.000 0.442 26 G N 0.976 109.802 108.800 0.043 0.000 2.147 26 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.244 26 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.244 26 G C 0.105 175.025 174.900 0.034 0.000 1.005 26 G CA -0.087 45.035 45.100 0.037 0.000 0.713 26 G HN 0.330 nan 8.290 nan 0.000 0.515 27 I N 0.409 121.000 120.570 0.034 0.000 2.359 27 I HA 0.312 4.482 4.170 -0.000 0.000 0.294 27 I C 0.816 176.953 176.117 0.033 0.000 0.987 27 I CA -0.845 60.476 61.300 0.034 0.000 1.225 27 I CB 1.342 39.363 38.000 0.034 0.000 1.366 27 I HN -0.050 nan 8.210 nan 0.000 0.466 28 K N 3.723 124.140 120.400 0.029 0.000 2.355 28 K HA 0.253 4.573 4.320 -0.000 0.000 0.270 28 K C 0.059 176.675 176.600 0.028 0.000 1.003 28 K CA -0.073 56.225 56.287 0.018 0.000 0.957 28 K CB 0.699 33.211 32.500 0.020 0.000 0.939 28 K HN 0.696 nan 8.250 nan 0.000 0.482 29 T N -2.136 112.410 114.554 -0.013 0.000 2.932 29 T HA 0.589 4.939 4.350 -0.000 0.000 0.289 29 T C -0.510 174.166 174.700 -0.040 0.000 1.039 29 T CA -0.958 61.135 62.100 -0.011 0.000 1.024 29 T CB 1.426 70.216 68.868 -0.129 0.000 1.090 29 T HN 0.157 nan 8.240 nan 0.000 0.496 30 V N 1.139 121.097 119.914 0.073 0.000 2.531 30 V HA 0.762 4.882 4.120 -0.000 0.000 0.301 30 V C 0.272 176.508 176.094 0.237 0.000 1.034 30 V CA -1.094 61.285 62.300 0.132 0.000 0.865 30 V CB 1.202 33.158 31.823 0.222 0.000 0.995 30 V HN 1.347 nan 8.190 nan 0.000 0.424 31 A N 5.837 128.771 122.820 0.189 0.000 2.303 31 A HA 0.942 5.262 4.320 -0.000 0.000 0.317 31 A C -0.344 177.488 177.584 0.412 0.000 1.149 31 A CA -0.535 51.752 52.037 0.416 0.000 0.822 31 A CB 0.733 19.931 19.000 0.330 0.000 1.131 31 A HN 1.050 nan 8.150 nan 0.000 0.493 32 I N -1.005 119.847 120.570 0.471 0.000 2.603 32 I HA 0.884 5.054 4.170 -0.000 0.000 0.300 32 I C -0.931 175.504 176.117 0.531 0.000 1.017 32 I CA -0.871 60.644 61.300 0.358 0.000 1.098 32 I CB 1.973 40.098 38.000 0.209 0.000 1.279 32 I HN 0.826 nan 8.210 nan 0.000 0.437 33 W N 3.377 124.746 121.300 0.115 0.000 3.274 33 W HA 0.832 5.492 4.660 -0.000 0.000 0.327 33 W C -1.266 175.186 176.519 -0.113 0.000 1.172 33 W CA -1.455 55.947 57.345 0.094 0.000 1.217 33 W CB 0.709 30.152 29.460 -0.028 0.000 1.376 33 W HN 0.816 nan 8.180 nan 0.000 0.507 34 A N 1.884 124.676 122.820 -0.046 0.000 2.322 34 A HA 0.276 4.596 4.320 -0.000 0.000 0.269 34 A C 1.214 178.950 177.584 0.254 0.000 1.094 34 A CA 0.266 52.254 52.037 -0.083 0.000 0.807 34 A CB 0.954 19.937 19.000 -0.028 0.000 1.047 34 A HN 0.781 nan 8.150 nan 0.000 0.487 35 E N 0.705 120.991 120.200 0.143 0.000 2.114 35 E HA -0.242 4.108 4.350 -0.000 0.000 0.199 35 E C 1.317 178.093 176.600 0.293 0.000 1.008 35 E CA 2.481 59.044 56.400 0.270 0.000 0.810 35 E CB -0.192 29.578 29.700 0.118 0.000 0.739 35 E HN 0.769 nan 8.360 nan 0.000 0.456 36 E N 0.071 120.412 120.200 0.235 0.000 2.265 36 E HA -0.112 4.237 4.350 -0.000 0.000 0.196 36 E C 0.730 177.592 176.600 0.437 0.000 0.996 36 E CA 1.209 57.783 56.400 0.291 0.000 0.832 36 E CB -0.029 29.751 29.700 0.134 0.000 0.756 36 E HN 0.238 nan 8.360 nan 0.000 0.491 37 D N -0.233 120.435 120.400 0.446 0.000 2.395 37 D HA -0.005 4.635 4.640 -0.000 0.000 0.226 37 D C 1.104 177.534 176.300 0.217 0.000 1.146 37 D CA 0.093 54.307 54.000 0.355 0.000 0.830 37 D CB 0.078 41.130 40.800 0.419 0.000 0.958 37 D HN 0.296 nan 8.370 nan 0.000 0.501 38 K N -0.108 120.415 120.400 0.206 0.000 2.209 38 K HA -0.075 4.245 4.320 -0.000 0.000 0.204 38 K C 1.273 177.790 176.600 -0.138 0.000 1.048 38 K CA 0.965 57.196 56.287 -0.093 0.000 0.940 38 K CB -0.028 32.507 32.500 0.058 0.000 0.729 38 K HN 0.167 nan 8.250 nan 0.000 0.451 39 L N 1.047 122.313 121.223 0.072 0.000 2.667 39 L HA 0.304 4.644 4.340 -0.000 0.000 0.232 39 L C 0.539 177.554 176.870 0.241 0.000 1.138 39 L CA -0.634 54.325 54.840 0.199 0.000 0.921 39 L CB 0.316 42.492 42.059 0.194 0.000 1.180 39 L HN 0.154 nan 8.230 nan 0.000 0.487 40 A N 0.404 123.281 122.820 0.095 0.000 2.488 40 A HA 0.226 4.546 4.320 -0.000 0.000 0.249 40 A C 1.317 178.951 177.584 0.083 0.000 1.083 40 A CA -0.230 51.876 52.037 0.115 0.000 0.768 40 A CB 0.383 19.460 19.000 0.128 0.000 1.017 40 A HN 0.301 nan 8.150 nan 0.000 0.496 41 L N 2.558 123.920 121.223 0.232 0.000 2.131 41 L HA -0.202 4.138 4.340 -0.000 0.000 0.210 41 L C 2.630 179.602 176.870 0.170 0.000 1.092 41 L CA 1.713 56.704 54.840 0.253 0.000 0.759 41 L CB -0.738 41.458 42.059 0.229 0.000 0.903 41 L HN 1.066 nan 8.230 nan 0.000 0.435 42 H N 0.691 119.846 119.070 0.141 0.000 2.457 42 H HA -0.245 4.311 4.556 -0.000 0.000 0.297 42 H C 2.135 177.574 175.328 0.184 0.000 1.092 42 H CA 1.594 57.779 56.048 0.228 0.000 1.309 42 H CB -0.430 29.425 29.762 0.155 0.000 1.382 42 H HN 0.366 nan 8.280 nan 0.000 0.535 43 R N 0.374 120.442 120.500 -0.719 0.000 2.120 43 R HA -0.102 4.238 4.340 -0.000 0.000 0.234 43 R C 0.952 176.845 176.300 -0.678 0.000 1.123 43 R CA 1.345 56.955 56.100 -0.816 0.000 0.975 43 R CB -0.195 29.336 30.300 -1.281 0.000 0.866 43 R HN 0.257 nan 8.270 nan 0.000 0.446 44 F N 0.029 119.862 119.950 -0.194 0.000 2.727 44 F HA 0.278 4.805 4.527 -0.000 0.000 0.302 44 F C 1.524 177.248 175.800 -0.127 0.000 1.097 44 F CA 0.255 58.154 58.000 -0.167 0.000 1.330 44 F CB 0.493 39.396 39.000 -0.161 0.000 1.084 44 F HN -0.122 nan 8.300 nan 0.000 0.578 45 K N -0.019 120.394 120.400 0.021 0.000 2.353 45 K HA 0.377 4.697 4.320 -0.000 0.000 0.195 45 K C 0.829 177.248 176.600 -0.303 0.000 1.031 45 K CA -0.016 56.275 56.287 0.007 0.000 1.079 45 K CB 0.436 33.071 32.500 0.224 0.000 0.857 45 K HN 0.111 nan 8.250 nan 0.000 0.535 46 A N 0.918 123.406 122.820 -0.553 0.000 2.252 46 A HA 0.168 4.488 4.320 -0.000 0.000 0.305 46 A C 0.179 177.554 177.584 -0.349 0.000 1.097 46 A CA -0.479 51.071 52.037 -0.810 0.000 0.849 46 A CB 0.431 18.895 19.000 -0.893 0.000 1.142 46 A HN 0.050 nan 8.150 nan 0.000 0.499 47 D N -0.434 119.807 120.400 -0.265 0.000 2.347 47 D HA 0.053 4.693 4.640 -0.000 0.000 0.215 47 D C 0.272 176.512 176.300 -0.100 0.000 0.976 47 D CA 1.207 55.128 54.000 -0.131 0.000 0.884 47 D CB 0.455 41.207 40.800 -0.080 0.000 0.915 47 D HN 0.662 nan 8.370 nan 0.000 0.526 48 E N -0.361 119.769 120.200 -0.116 0.000 2.380 48 E HA 0.291 4.641 4.350 -0.000 0.000 0.281 48 E C -1.677 174.858 176.600 -0.108 0.000 0.999 48 E CA -0.552 55.789 56.400 -0.099 0.000 0.800 48 E CB 1.660 31.361 29.700 0.003 0.000 1.228 48 E HN -0.028 nan 8.360 nan 0.000 0.436 49 S N 1.594 117.153 115.700 -0.235 0.000 2.537 49 S HA 0.667 5.137 4.470 -0.000 0.000 0.270 49 S C -1.642 172.769 174.600 -0.315 0.000 1.142 49 S CA -0.718 57.433 58.200 -0.081 0.000 0.870 49 S CB 0.825 64.027 63.200 0.003 0.000 1.112 49 S HN 0.428 nan 8.310 nan 0.000 0.466 50 Y N 0.520 120.914 120.300 0.157 0.000 2.477 50 Y HA 0.512 5.062 4.550 -0.000 0.000 0.347 50 Y C 0.164 175.752 175.900 -0.520 0.000 0.981 50 Y CA -0.791 57.282 58.100 -0.046 0.000 1.033 50 Y CB 1.899 40.316 38.460 -0.072 0.000 1.245 50 Y HN 0.832 nan 8.280 nan 0.000 0.455 51 Q N 2.552 121.899 119.800 -0.755 0.000 2.327 51 Q HA 0.532 4.872 4.340 -0.000 0.000 0.254 51 Q C -0.965 174.676 176.000 -0.597 0.000 0.952 51 Q CA -0.572 54.408 55.803 -1.371 0.000 0.884 51 Q CB 1.039 28.990 28.738 -1.311 0.000 1.224 51 Q HN 0.639 nan 8.270 nan 0.000 0.422 52 V N 0.260 119.846 119.914 -0.546 0.000 2.715 52 V HA 0.828 4.948 4.120 -0.000 0.000 0.310 52 V C 0.635 176.561 176.094 -0.280 0.000 1.054 52 V CA 0.105 62.217 62.300 -0.312 0.000 0.928 52 V CB 1.175 32.830 31.823 -0.281 0.000 1.007 52 V HN 1.010 nan 8.190 nan 0.000 0.437 53 G N 2.006 110.712 108.800 -0.157 0.000 2.176 53 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.253 53 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.253 53 G C 0.242 175.052 174.900 -0.150 0.000 0.979 53 G CA 0.336 45.347 45.100 -0.147 0.000 0.641 53 G HN 0.902 nan 8.290 nan 0.000 0.530 54 R N -0.444 119.968 120.500 -0.147 0.000 2.888 54 R HA 0.769 5.109 4.340 -0.000 0.000 0.264 54 R C 0.337 176.548 176.300 -0.149 0.000 1.045 54 R CA 0.056 56.070 56.100 -0.144 0.000 0.962 54 R CB 1.570 31.808 30.300 -0.103 0.000 1.210 54 R HN 1.646 nan 8.270 nan 0.000 0.479 55 G N 0.590 109.301 108.800 -0.150 0.000 2.515 55 G HA2 -0.105 3.855 3.960 -0.000 0.000 0.686 55 G HA3 -0.105 3.855 3.960 -0.000 0.000 0.686 55 G C -2.501 172.273 174.900 -0.210 0.000 1.274 55 G CA -0.961 44.081 45.100 -0.095 0.000 0.874 55 G HN 0.345 nan 8.290 nan 0.000 0.631 56 P HA -0.003 nan 4.420 nan 0.000 0.229 56 P C 1.485 178.751 177.300 -0.057 0.000 1.160 56 P CA 1.610 64.678 63.100 -0.052 0.000 0.777 56 P CB -0.195 31.511 31.700 0.011 0.000 0.814 57 H N -0.965 118.088 119.070 -0.028 0.000 2.491 57 H HA 0.060 4.616 4.556 -0.000 0.000 0.290 57 H C 0.545 175.854 175.328 -0.032 0.000 1.050 57 H CA 0.306 56.337 56.048 -0.029 0.000 1.309 57 H CB -0.855 28.887 29.762 -0.033 0.000 1.392 57 H HN 0.140 nan 8.280 nan 0.000 0.554 58 L N 0.632 121.532 121.223 -0.538 0.000 2.357 58 L HA 0.357 4.697 4.340 -0.000 0.000 0.273 58 L C 1.503 178.265 176.870 -0.180 0.000 1.080 58 L CA -0.161 54.488 54.840 -0.318 0.000 0.803 58 L CB 1.467 43.293 42.059 -0.389 0.000 1.174 58 L HN 0.122 nan 8.230 nan 0.000 0.443 59 A N 2.942 125.695 122.820 -0.113 0.000 1.968 59 A HA 0.006 4.326 4.320 -0.000 0.000 0.217 59 A C 0.768 178.303 177.584 -0.082 0.000 1.169 59 A CA 0.917 52.907 52.037 -0.079 0.000 0.638 59 A CB -0.097 18.870 19.000 -0.055 0.000 0.812 59 A HN 0.833 nan 8.150 nan 0.000 0.446 60 R N -0.897 119.544 120.500 -0.098 0.000 2.707 60 R HA 0.479 4.819 4.340 -0.000 0.000 0.272 60 R C -2.068 174.166 176.300 -0.111 0.000 1.011 60 R CA -0.935 55.109 56.100 -0.092 0.000 0.893 60 R CB 0.556 30.810 30.300 -0.076 0.000 1.233 60 R HN -0.089 nan 8.270 nan 0.000 0.464 61 D N 1.954 122.294 120.400 -0.101 0.000 2.449 61 D HA 0.102 4.742 4.640 -0.000 0.000 0.236 61 D C 0.150 176.386 176.300 -0.107 0.000 1.149 61 D CA 0.279 54.215 54.000 -0.107 0.000 0.878 61 D CB 0.622 41.372 40.800 -0.083 0.000 1.198 61 D HN 0.328 nan 8.370 nan 0.000 0.446 62 L N 0.925 122.081 121.223 -0.112 0.000 2.421 62 L HA 0.411 4.751 4.340 -0.000 0.000 0.263 62 L C 1.537 178.343 176.870 -0.106 0.000 1.122 62 L CA -0.847 53.931 54.840 -0.102 0.000 0.804 62 L CB 0.797 42.797 42.059 -0.097 0.000 1.150 62 L HN 0.334 nan 8.230 nan 0.000 0.457 63 G N 0.554 109.294 108.800 -0.100 0.000 2.667 63 G HA2 0.178 4.138 3.960 -0.000 0.000 0.250 63 G HA3 0.178 4.138 3.960 -0.000 0.000 0.250 63 G C -1.792 173.051 174.900 -0.094 0.000 1.212 63 G CA -0.798 44.232 45.100 -0.116 0.000 0.874 63 G HN 0.479 nan 8.290 nan 0.000 0.561 64 P HA -0.068 nan 4.420 nan 0.000 0.216 64 P C 1.617 179.035 177.300 0.195 0.000 1.150 64 P CA 1.041 64.102 63.100 -0.065 0.000 0.837 64 P CB 0.253 31.696 31.700 -0.428 0.000 0.786 65 I N -0.930 119.701 120.570 0.101 0.000 2.810 65 I HA -0.032 4.138 4.170 -0.000 0.000 0.262 65 I C 2.593 178.815 176.117 0.176 0.000 1.131 65 I CA 0.465 61.913 61.300 0.247 0.000 1.453 65 I CB -0.374 37.701 38.000 0.126 0.000 1.161 65 I HN -0.078 nan 8.210 nan 0.000 0.444 66 E N 1.149 121.384 120.200 0.058 0.000 2.114 66 E HA -0.263 4.087 4.350 -0.000 0.000 0.199 66 E C 2.150 178.747 176.600 -0.004 0.000 1.008 66 E CA 1.909 58.316 56.400 0.013 0.000 0.810 66 E CB 0.107 29.789 29.700 -0.029 0.000 0.739 66 E HN 0.357 nan 8.360 nan 0.000 0.456 67 S N -0.410 115.267 115.700 -0.038 0.000 2.374 67 S HA -0.187 4.283 4.470 -0.000 0.000 0.227 67 S C 1.595 176.091 174.600 -0.173 0.000 1.037 67 S CA 1.473 59.583 58.200 -0.150 0.000 1.024 67 S CB -0.401 62.638 63.200 -0.268 0.000 0.861 67 S HN 0.408 nan 8.310 nan 0.000 0.456 68 Y N 0.847 121.155 120.300 0.012 0.000 2.457 68 Y HA 0.211 4.761 4.550 -0.000 0.000 0.292 68 Y C 1.767 177.624 175.900 -0.071 0.000 1.125 68 Y CA 0.351 58.441 58.100 -0.017 0.000 1.254 68 Y CB -0.221 38.245 38.460 0.011 0.000 1.012 68 Y HN 0.164 nan 8.280 nan 0.000 0.555 69 L N -1.307 119.961 121.223 0.074 0.000 2.567 69 L HA 0.067 4.407 4.340 -0.000 0.000 0.225 69 L C 1.066 177.906 176.870 -0.049 0.000 1.119 69 L CA 0.043 54.878 54.840 -0.008 0.000 0.871 69 L CB 0.016 42.083 42.059 0.014 0.000 1.036 69 L HN -0.079 nan 8.230 nan 0.000 0.459 70 S N 0.465 116.140 115.700 -0.042 0.000 2.437 70 S HA 0.139 4.609 4.470 -0.000 0.000 0.304 70 S C 1.404 175.980 174.600 -0.040 0.000 1.167 70 S CA -0.323 57.854 58.200 -0.038 0.000 1.106 70 S CB 0.049 63.227 63.200 -0.037 0.000 1.099 70 S HN 0.199 nan 8.310 nan 0.000 0.524 71 I N 3.799 124.359 120.570 -0.017 0.000 2.208 71 I HA -0.182 3.988 4.170 -0.000 0.000 0.245 71 I C 1.963 178.133 176.117 0.088 0.000 1.097 71 I CA 1.181 62.517 61.300 0.060 0.000 1.363 71 I CB -0.218 37.870 38.000 0.147 0.000 1.051 71 I HN 0.523 nan 8.210 nan 0.000 0.413 72 D N 0.610 121.040 120.400 0.050 0.000 2.104 72 D HA -0.188 4.452 4.640 -0.000 0.000 0.194 72 D C 2.174 178.486 176.300 0.020 0.000 0.994 72 D CA 1.147 55.169 54.000 0.037 0.000 0.830 72 D CB -0.254 40.564 40.800 0.029 0.000 0.959 72 D HN 0.302 nan 8.370 nan 0.000 0.452 73 E N 0.329 120.534 120.200 0.009 0.000 2.051 73 E HA -0.098 4.252 4.350 -0.000 0.000 0.192 73 E C 2.463 179.049 176.600 -0.024 0.000 0.991 73 E CA 0.343 56.734 56.400 -0.015 0.000 0.799 73 E CB -0.329 29.351 29.700 -0.034 0.000 0.748 73 E HN 0.158 nan 8.360 nan 0.000 0.449 74 V N 1.944 121.863 119.914 0.009 0.000 2.261 74 V HA -0.256 3.864 4.120 -0.000 0.000 0.246 74 V C 2.431 178.582 176.094 0.095 0.000 1.047 74 V CA 1.334 63.669 62.300 0.060 0.000 1.015 74 V CB -0.430 31.431 31.823 0.064 0.000 0.642 74 V HN 0.192 nan 8.190 nan 0.000 0.446 75 I N 0.069 120.715 120.570 0.127 0.000 2.163 75 I HA -0.236 3.934 4.170 -0.000 0.000 0.243 75 I C 2.587 178.695 176.117 -0.015 0.000 1.085 75 I CA 1.734 63.080 61.300 0.077 0.000 1.347 75 I CB -1.373 36.673 38.000 0.077 0.000 1.044 75 I HN 0.366 nan 8.210 nan 0.000 0.408 76 R N 1.196 121.667 120.500 -0.048 0.000 2.094 76 R HA -0.190 4.150 4.340 -0.000 0.000 0.239 76 R C 2.351 178.542 176.300 -0.182 0.000 1.137 76 R CA 2.839 58.868 56.100 -0.118 0.000 0.943 76 R CB -0.311 29.895 30.300 -0.157 0.000 0.850 76 R HN 0.359 nan 8.270 nan 0.000 0.433 77 V N -1.768 118.028 119.914 -0.197 0.000 2.548 77 V HA 0.026 4.146 4.120 -0.000 0.000 0.249 77 V C 2.323 178.228 176.094 -0.315 0.000 1.055 77 V CA 1.526 63.614 62.300 -0.353 0.000 1.065 77 V CB -0.975 30.675 31.823 -0.288 0.000 0.681 77 V HN 0.399 nan 8.190 nan 0.000 0.462 78 A N 0.768 123.512 122.820 -0.127 0.000 1.902 78 A HA -0.183 4.137 4.320 -0.000 0.000 0.217 78 A C 2.331 179.861 177.584 -0.089 0.000 1.181 78 A CA 2.243 54.243 52.037 -0.062 0.000 0.623 78 A CB -0.582 18.430 19.000 0.020 0.000 0.818 78 A HN 0.613 nan 8.150 nan 0.000 0.443 79 K N -0.497 119.844 120.400 -0.098 0.000 2.002 79 K HA -0.036 4.284 4.320 -0.000 0.000 0.209 79 K C 1.965 178.490 176.600 -0.124 0.000 1.048 79 K CA 1.314 57.546 56.287 -0.091 0.000 0.930 79 K CB -0.417 32.035 32.500 -0.080 0.000 0.714 79 K HN 0.427 nan 8.250 nan 0.000 0.438 80 L N 1.234 122.334 121.223 -0.205 0.000 2.013 80 L HA -0.254 4.086 4.340 -0.000 0.000 0.212 80 L C 2.568 179.323 176.870 -0.192 0.000 1.073 80 L CA 1.974 56.673 54.840 -0.235 0.000 0.753 80 L CB -0.529 41.267 42.059 -0.438 0.000 0.890 80 L HN 0.347 nan 8.230 nan 0.000 0.432 81 S N -1.255 114.285 115.700 -0.267 0.000 2.496 81 S HA 0.040 4.510 4.470 -0.000 0.000 0.224 81 S C 1.474 176.077 174.600 0.005 0.000 0.996 81 S CA 0.522 58.679 58.200 -0.072 0.000 0.927 81 S CB 0.316 63.497 63.200 -0.031 0.000 0.774 81 S HN 0.605 nan 8.310 nan 0.000 0.524 82 G N 1.112 109.897 108.800 -0.025 0.000 2.147 82 G HA2 -0.097 3.863 3.960 -0.000 0.000 0.244 82 G HA3 -0.097 3.863 3.960 -0.000 0.000 0.244 82 G C 0.245 175.152 174.900 0.012 0.000 1.005 82 G CA 0.015 45.114 45.100 -0.002 0.000 0.713 82 G HN 1.339 nan 8.290 nan 0.000 0.515 83 A N -0.141 122.688 122.820 0.014 0.000 2.540 83 A HA 0.472 4.792 4.320 -0.000 0.000 0.239 83 A C 1.296 178.894 177.584 0.023 0.000 1.061 83 A CA 0.927 52.984 52.037 0.033 0.000 0.758 83 A CB 0.318 19.348 19.000 0.050 0.000 0.991 83 A HN 0.241 nan 8.150 nan 0.000 0.502 84 D N 0.744 121.160 120.400 0.026 0.000 2.234 84 D HA 0.258 4.898 4.640 -0.000 0.000 0.205 84 D C 0.726 177.035 176.300 0.014 0.000 0.962 84 D CA 1.871 55.881 54.000 0.017 0.000 0.855 84 D CB 0.150 40.962 40.800 0.020 0.000 0.951 84 D HN 0.755 nan 8.370 nan 0.000 0.500 85 A N -0.201 122.634 122.820 0.025 0.000 2.606 85 A HA 0.667 4.987 4.320 -0.000 0.000 0.293 85 A C -1.378 176.230 177.584 0.041 0.000 1.082 85 A CA -0.610 51.436 52.037 0.015 0.000 0.685 85 A CB 1.360 20.360 19.000 -0.000 0.000 1.284 85 A HN -0.002 nan 8.150 nan 0.000 0.408 86 I N 1.940 122.524 120.570 0.024 0.000 2.436 86 I HA 0.310 4.480 4.170 -0.000 0.000 0.289 86 I C -0.664 175.435 176.117 -0.029 0.000 1.010 86 I CA -0.505 60.842 61.300 0.078 0.000 1.098 86 I CB 1.788 39.900 38.000 0.187 0.000 1.266 86 I HN 0.715 nan 8.210 nan 0.000 0.434 87 H N 8.476 127.514 119.070 -0.055 0.000 2.517 87 H HA 0.330 4.886 4.556 -0.000 0.000 0.317 87 H C -2.069 173.206 175.328 -0.089 0.000 1.080 87 H CA -1.976 53.986 56.048 -0.144 0.000 1.301 87 H CB 2.275 31.966 29.762 -0.117 0.000 1.425 87 H HN 0.323 nan 8.280 nan 0.000 0.471 88 P HA 0.103 nan 4.420 nan 0.000 0.255 88 P C 0.878 178.231 177.300 0.087 0.000 1.248 88 P CA 0.845 64.014 63.100 0.115 0.000 0.807 88 P CB 0.726 32.551 31.700 0.208 0.000 1.150 89 G N 1.127 110.064 108.800 0.228 0.000 2.611 89 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.301 89 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.301 89 G C -0.499 174.425 174.900 0.041 0.000 1.233 89 G CA 0.666 45.767 45.100 0.002 0.000 0.993 89 G HN 0.455 nan 8.290 nan 0.000 0.553 90 Y N -1.547 118.771 120.300 0.031 0.000 2.633 90 Y HA 0.705 5.255 4.550 -0.000 0.000 0.339 90 Y C 0.950 176.864 175.900 0.023 0.000 1.045 90 Y CA -0.441 57.685 58.100 0.043 0.000 1.098 90 Y CB 0.840 39.329 38.460 0.047 0.000 1.296 90 Y HN 2.549 nan 8.280 nan 0.000 0.494 91 G N 1.030 110.018 108.800 0.314 0.000 2.601 91 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.252 91 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.252 91 G C 0.190 175.144 174.900 0.091 0.000 1.294 91 G CA 0.376 45.591 45.100 0.191 0.000 0.912 91 G HN 1.464 nan 8.290 nan 0.000 0.574 92 L N -2.555 118.697 121.223 0.048 0.000 5.176 92 L HA -0.322 4.018 4.340 -0.000 0.000 0.053 92 L C 2.155 179.030 176.870 0.009 0.000 2.911 92 L CA 2.243 57.089 54.840 0.011 0.000 1.597 92 L CB -1.240 40.796 42.059 -0.039 0.000 2.854 92 L HN 0.671 nan 8.230 nan 0.000 0.903 93 L N 0.161 121.362 121.223 -0.036 0.000 2.653 93 L HA 0.076 4.416 4.340 -0.000 0.000 0.231 93 L C 2.066 179.037 176.870 0.169 0.000 1.153 93 L CA 0.567 55.380 54.840 -0.045 0.000 0.933 93 L CB 0.087 41.884 42.059 -0.437 0.000 1.175 93 L HN 0.620 nan 8.230 nan 0.000 0.473 94 S N -1.079 114.735 115.700 0.190 0.000 2.474 94 S HA -0.095 4.375 4.470 -0.000 0.000 0.235 94 S C 1.223 176.002 174.600 0.298 0.000 0.997 94 S CA 0.695 59.077 58.200 0.302 0.000 0.949 94 S CB -0.088 63.241 63.200 0.215 0.000 0.766 94 S HN 0.529 nan 8.310 nan 0.000 0.517 95 E N 1.121 121.437 120.200 0.193 0.000 2.651 95 E HA 0.204 4.554 4.350 -0.000 0.000 0.208 95 E C -0.497 176.158 176.600 0.092 0.000 0.997 95 E CA -0.200 56.286 56.400 0.144 0.000 1.020 95 E CB 0.785 30.554 29.700 0.114 0.000 1.052 95 E HN 0.384 nan 8.360 nan 0.000 0.465 96 S N 2.347 118.107 115.700 0.099 0.000 2.404 96 S HA 0.185 4.655 4.470 -0.000 0.000 0.309 96 S C -1.518 173.077 174.600 -0.009 0.000 1.076 96 S CA -1.836 56.403 58.200 0.064 0.000 1.095 96 S CB 0.739 63.999 63.200 0.101 0.000 0.972 96 S HN -0.043 nan 8.310 nan 0.000 0.484 97 P HA -0.095 nan 4.420 nan 0.000 0.218 97 P C 0.767 178.006 177.300 -0.103 0.000 1.149 97 P CA 1.071 64.104 63.100 -0.112 0.000 0.817 97 P CB 0.217 31.876 31.700 -0.068 0.000 0.785 98 E N -0.731 119.451 120.200 -0.030 0.000 2.110 98 E HA -0.155 4.195 4.350 -0.000 0.000 0.193 98 E C 1.760 178.376 176.600 0.026 0.000 0.988 98 E CA 0.902 57.298 56.400 -0.005 0.000 0.804 98 E CB -1.185 28.530 29.700 0.025 0.000 0.745 98 E HN 0.218 nan 8.360 nan 0.000 0.458 99 F N 0.514 120.391 119.950 -0.122 0.000 2.146 99 F HA -0.148 4.379 4.527 -0.000 0.000 0.298 99 F C 1.933 177.598 175.800 -0.225 0.000 1.096 99 F CA 0.796 58.724 58.000 -0.120 0.000 1.275 99 F CB -0.422 38.541 39.000 -0.061 0.000 1.008 99 F HN -0.149 nan 8.300 nan 0.000 0.480 100 V N 0.576 120.136 119.914 -0.589 0.000 2.287 100 V HA -0.322 3.798 4.120 -0.000 0.000 0.248 100 V C 2.200 178.033 176.094 -0.434 0.000 1.053 100 V CA 2.194 64.006 62.300 -0.814 0.000 1.027 100 V CB -0.818 30.497 31.823 -0.846 0.000 0.646 100 V HN 0.232 nan 8.190 nan 0.000 0.447 101 D N 0.530 120.763 120.400 -0.279 0.000 2.106 101 D HA -0.192 4.448 4.640 -0.000 0.000 0.191 101 D C 2.250 178.456 176.300 -0.155 0.000 0.997 101 D CA 1.917 55.814 54.000 -0.172 0.000 0.834 101 D CB -0.514 40.220 40.800 -0.110 0.000 0.956 101 D HN 0.436 nan 8.370 nan 0.000 0.448 102 A N 0.314 123.045 122.820 -0.149 0.000 1.883 102 A HA -0.237 4.083 4.320 -0.000 0.000 0.217 102 A C 2.618 180.106 177.584 -0.160 0.000 1.186 102 A CA 1.726 53.700 52.037 -0.106 0.000 0.624 102 A CB -1.105 17.891 19.000 -0.007 0.000 0.822 102 A HN 0.391 nan 8.150 nan 0.000 0.444 103 C N -0.506 118.608 119.300 -0.310 0.000 2.393 103 C HA -0.172 4.288 4.460 -0.000 0.000 0.276 103 C C 2.665 177.570 174.990 -0.142 0.000 1.215 103 C CA 1.396 60.261 59.018 -0.256 0.000 1.743 103 C CB -1.955 25.586 27.740 -0.333 0.000 2.044 103 C HN 0.763 nan 8.230 nan 0.000 0.464 104 N N 0.217 118.829 118.700 -0.146 0.000 2.120 104 N HA -0.169 4.571 4.740 -0.000 0.000 0.188 104 N C 1.903 177.369 175.510 -0.074 0.000 1.024 104 N CA 1.373 54.366 53.050 -0.096 0.000 0.852 104 N CB -0.191 38.236 38.487 -0.100 0.000 1.003 104 N HN 0.380 nan 8.380 nan 0.000 0.424 105 K N 0.933 121.286 120.400 -0.078 0.000 2.152 105 K HA 0.031 4.351 4.320 -0.000 0.000 0.206 105 K C 1.762 178.335 176.600 -0.046 0.000 1.048 105 K CA 1.176 57.430 56.287 -0.055 0.000 0.933 105 K CB -0.516 31.953 32.500 -0.050 0.000 0.721 105 K HN 0.391 nan 8.250 nan 0.000 0.447 106 A N -1.189 121.600 122.820 -0.051 0.000 2.251 106 A HA 0.429 4.749 4.320 -0.000 0.000 0.209 106 A C 1.636 179.199 177.584 -0.035 0.000 1.187 106 A CA 0.873 52.887 52.037 -0.040 0.000 0.823 106 A CB -0.462 18.516 19.000 -0.038 0.000 0.846 106 A HN 1.147 nan 8.150 nan 0.000 0.486 107 G N -0.621 108.156 108.800 -0.038 0.000 2.176 107 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.252 107 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.252 107 G C -0.022 174.862 174.900 -0.026 0.000 1.024 107 G CA 0.478 45.560 45.100 -0.030 0.000 0.755 107 G HN 0.488 nan 8.290 nan 0.000 0.507 108 I N 0.489 121.039 120.570 -0.033 0.000 2.377 108 I HA 0.425 4.595 4.170 -0.000 0.000 0.293 108 I C 0.904 177.009 176.117 -0.021 0.000 0.987 108 I CA -1.182 60.104 61.300 -0.022 0.000 1.185 108 I CB 1.554 39.541 38.000 -0.021 0.000 1.341 108 I HN -0.035 nan 8.210 nan 0.000 0.455 109 I N 5.656 126.220 120.570 -0.009 0.000 2.533 109 I HA -0.002 4.168 4.170 -0.000 0.000 0.284 109 I C -0.231 175.893 176.117 0.011 0.000 1.109 109 I CA 0.144 61.442 61.300 -0.003 0.000 1.412 109 I CB 0.306 38.297 38.000 -0.015 0.000 1.396 109 I HN 0.408 nan 8.210 nan 0.000 0.543 110 F N 8.029 127.897 119.950 -0.138 0.000 2.411 110 F HA 0.422 4.949 4.527 -0.000 0.000 0.355 110 F C 0.186 175.905 175.800 -0.134 0.000 1.117 110 F CA -0.556 57.348 58.000 -0.160 0.000 1.139 110 F CB 0.484 39.352 39.000 -0.221 0.000 1.120 110 F HN 0.233 nan 8.300 nan 0.000 0.493 111 I N 7.384 127.496 120.570 -0.765 0.000 2.260 111 I HA 0.462 4.632 4.170 -0.000 0.000 0.297 111 I C 0.581 176.195 176.117 -0.839 0.000 1.143 111 I CA 0.244 61.161 61.300 -0.638 0.000 1.271 111 I CB -0.751 36.939 38.000 -0.517 0.000 1.461 111 I HN 0.825 nan 8.210 nan 0.000 0.530 112 G N 7.132 115.675 108.800 -0.428 0.000 2.327 112 G HA2 0.190 4.150 3.960 -0.000 0.000 0.291 112 G HA3 0.190 4.150 3.960 -0.000 0.000 0.291 112 G C -3.290 171.635 174.900 0.042 0.000 1.290 112 G CA -0.749 44.255 45.100 -0.159 0.000 0.857 112 G HN 0.190 nan 8.290 nan 0.000 0.520 113 P HA 0.299 nan 4.420 nan 0.000 0.274 113 P C -0.505 176.752 177.300 -0.072 0.000 1.256 113 P CA -0.262 62.701 63.100 -0.228 0.000 0.795 113 P CB 0.663 32.017 31.700 -0.578 0.000 1.038 114 K N 0.217 120.537 120.400 -0.133 0.000 2.336 114 K HA 0.147 4.466 4.320 -0.000 0.000 0.262 114 K C 1.557 178.078 176.600 -0.132 0.000 0.992 114 K CA -0.017 56.203 56.287 -0.112 0.000 0.927 114 K CB -0.291 32.150 32.500 -0.098 0.000 0.956 114 K HN 0.483 nan 8.250 nan 0.000 0.495 115 A N 1.556 124.282 122.820 -0.157 0.000 1.933 115 A HA -0.193 4.127 4.320 -0.000 0.000 0.218 115 A C 1.636 179.168 177.584 -0.087 0.000 1.175 115 A CA 2.023 53.969 52.037 -0.152 0.000 0.628 115 A CB -0.366 18.539 19.000 -0.159 0.000 0.814 115 A HN 0.769 nan 8.150 nan 0.000 0.444 116 D N -1.320 119.038 120.400 -0.070 0.000 2.224 116 D HA -0.029 4.611 4.640 -0.000 0.000 0.205 116 D C 1.996 178.282 176.300 -0.023 0.000 0.965 116 D CA 1.434 55.410 54.000 -0.041 0.000 0.852 116 D CB -0.066 40.712 40.800 -0.035 0.000 0.947 116 D HN 0.391 nan 8.370 nan 0.000 0.494 117 T N 0.129 114.663 114.554 -0.033 0.000 2.652 117 T HA -0.182 4.168 4.350 -0.000 0.000 0.267 117 T C 2.007 176.726 174.700 0.032 0.000 1.039 117 T CA 0.987 63.085 62.100 -0.003 0.000 1.153 117 T CB -0.185 68.646 68.868 -0.062 0.000 0.863 117 T HN 0.174 nan 8.240 nan 0.000 0.428 118 M N 0.503 120.108 119.600 0.008 0.000 2.108 118 M HA -0.114 4.366 4.480 -0.000 0.000 0.261 118 M C 2.573 178.892 176.300 0.031 0.000 1.066 118 M CA 1.670 56.990 55.300 0.033 0.000 1.107 118 M CB -0.420 32.181 32.600 0.001 0.000 1.356 118 M HN 0.153 nan 8.290 nan 0.000 0.406 119 R N -0.127 120.378 120.500 0.008 0.000 2.073 119 R HA -0.188 4.152 4.340 -0.000 0.000 0.234 119 R C 2.249 178.563 176.300 0.024 0.000 1.134 119 R CA 1.681 57.786 56.100 0.010 0.000 0.952 119 R CB -0.571 29.726 30.300 -0.006 0.000 0.850 119 R HN 0.517 nan 8.270 nan 0.000 0.433 120 Q N 1.117 120.934 119.800 0.028 0.000 2.061 120 Q HA -0.150 4.190 4.340 -0.000 0.000 0.204 120 Q C 2.001 178.038 176.000 0.062 0.000 0.984 120 Q CA 1.427 57.254 55.803 0.039 0.000 0.846 120 Q CB -0.019 28.741 28.738 0.036 0.000 0.902 120 Q HN 0.351 nan 8.270 nan 0.000 0.421 121 L N -0.407 120.865 121.223 0.083 0.000 2.313 121 L HA 0.040 4.380 4.340 -0.000 0.000 0.214 121 L C 2.231 179.156 176.870 0.092 0.000 1.119 121 L CA 0.628 55.535 54.840 0.113 0.000 0.809 121 L CB -0.268 41.882 42.059 0.152 0.000 0.933 121 L HN 0.375 nan 8.230 nan 0.000 0.449 122 G N -0.517 108.324 108.800 0.068 0.000 2.623 122 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.214 122 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.214 122 G C 0.525 175.449 174.900 0.040 0.000 1.138 122 G CA -0.126 45.005 45.100 0.052 0.000 0.794 122 G HN 0.305 nan 8.290 nan 0.000 0.535 123 N N -0.023 118.702 118.700 0.042 0.000 2.426 123 N HA 0.198 4.938 4.740 -0.000 0.000 0.257 123 N C 1.299 176.836 175.510 0.045 0.000 1.002 123 N CA -0.337 52.734 53.050 0.035 0.000 0.942 123 N CB 1.368 39.872 38.487 0.028 0.000 1.112 123 N HN -0.143 nan 8.380 nan 0.000 0.499 124 K N 2.487 122.909 120.400 0.036 0.000 2.147 124 K HA -0.094 4.226 4.320 -0.000 0.000 0.205 124 K C 2.050 178.681 176.600 0.051 0.000 1.049 124 K CA 1.444 57.755 56.287 0.041 0.000 0.936 124 K CB -1.549 30.962 32.500 0.018 0.000 0.722 124 K HN 0.619 nan 8.250 nan 0.000 0.446 125 V N 0.959 120.895 119.914 0.037 0.000 2.295 125 V HA -0.066 4.054 4.120 -0.000 0.000 0.246 125 V C 2.521 178.638 176.094 0.039 0.000 1.049 125 V CA 2.721 65.041 62.300 0.033 0.000 1.024 125 V CB -1.452 nan 31.823 nan 0.000 0.648 125 V HN 0.392 nan 8.190 nan 0.000 0.447 126 A N -0.066 122.777 122.820 0.039 0.000 1.873 126 A HA 0.119 4.439 4.320 -0.000 0.000 0.215 126 A C 2.639 180.255 177.584 0.052 0.000 1.186 126 A CA 2.547 54.606 52.037 0.037 0.000 0.616 126 A CB -0.926 18.094 19.000 0.034 0.000 0.823 126 A HN 1.300 nan 8.150 nan 0.000 0.442 127 A N -0.513 122.361 122.820 0.090 0.000 1.908 127 A HA -0.161 4.159 4.320 -0.000 0.000 0.218 127 A C 2.374 180.070 177.584 0.186 0.000 1.181 127 A CA 2.318 54.452 52.037 0.162 0.000 0.627 127 A CB -0.692 18.453 19.000 0.242 0.000 0.818 127 A HN 0.486 nan 8.150 nan 0.000 0.445 128 R N 0.205 120.805 120.500 0.168 0.000 2.066 128 R HA -0.090 4.250 4.340 -0.000 0.000 0.232 128 R C 1.938 178.269 176.300 0.052 0.000 1.131 128 R CA 1.908 58.097 56.100 0.147 0.000 0.955 128 R CB -1.744 28.621 30.300 0.108 0.000 0.851 128 R HN 0.879 nan 8.270 nan 0.000 0.432 129 N N -0.078 118.641 118.700 0.031 0.000 2.188 129 N HA -0.127 4.613 4.740 -0.000 0.000 0.184 129 N C 1.914 177.409 175.510 -0.025 0.000 1.018 129 N CA 1.372 54.425 53.050 0.005 0.000 0.858 129 N CB -0.339 38.153 38.487 0.008 0.000 0.989 129 N HN 0.152 nan 8.380 nan 0.000 0.426 130 L N 1.346 122.546 121.223 -0.038 0.000 1.994 130 L HA -0.038 4.302 4.340 -0.000 0.000 0.208 130 L C 2.567 179.352 176.870 -0.143 0.000 1.071 130 L CA 1.901 56.696 54.840 -0.075 0.000 0.745 130 L CB -1.387 40.631 42.059 -0.069 0.000 0.892 130 L HN 0.393 nan 8.230 nan 0.000 0.431 131 A N -0.861 121.813 122.820 -0.244 0.000 1.883 131 A HA -0.201 4.119 4.320 -0.000 0.000 0.217 131 A C 2.443 179.927 177.584 -0.167 0.000 1.186 131 A CA 2.356 54.185 52.037 -0.346 0.000 0.624 131 A CB -0.979 17.680 19.000 -0.568 0.000 0.822 131 A HN 0.488 nan 8.150 nan 0.000 0.444 132 I N 0.866 121.385 120.570 -0.086 0.000 2.264 132 I HA -0.236 3.934 4.170 -0.000 0.000 0.248 132 I C 3.044 179.137 176.117 -0.041 0.000 1.111 132 I CA 1.898 63.173 61.300 -0.041 0.000 1.382 132 I CB -1.623 36.373 38.000 -0.008 0.000 1.060 132 I HN 0.789 nan 8.210 nan 0.000 0.418 133 S N 0.926 116.599 115.700 -0.046 0.000 2.453 133 S HA -0.063 4.407 4.470 -0.000 0.000 0.231 133 S C 1.526 176.107 174.600 -0.032 0.000 1.005 133 S CA 0.977 59.158 58.200 -0.031 0.000 0.949 133 S CB -0.603 62.581 63.200 -0.027 0.000 0.774 133 S HN 0.777 nan 8.310 nan 0.000 0.510 134 V N -2.327 117.557 119.914 -0.050 0.000 3.177 134 V HA 0.711 4.831 4.120 -0.000 0.000 0.342 134 V C 1.117 177.197 176.094 -0.023 0.000 1.379 134 V CA -0.309 61.970 62.300 -0.035 0.000 1.191 134 V CB -0.935 30.864 31.823 -0.041 0.000 1.167 134 V HN 0.649 nan 8.190 nan 0.000 0.471 135 G N 0.541 109.323 108.800 -0.030 0.000 2.295 135 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.287 135 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.287 135 G C -0.087 174.775 174.900 -0.064 0.000 1.055 135 G CA 0.329 45.418 45.100 -0.018 0.000 0.922 135 G HN 0.896 nan 8.290 nan 0.000 0.503 136 V N 2.171 121.993 119.914 -0.153 0.000 2.394 136 V HA 0.485 4.605 4.120 -0.000 0.000 0.282 136 V C -1.103 174.839 176.094 -0.254 0.000 1.031 136 V CA -1.590 60.495 62.300 -0.359 0.000 0.881 136 V CB 1.754 33.393 31.823 -0.306 0.000 0.982 136 V HN 0.309 nan 8.190 nan 0.000 0.451 137 P HA 0.236 nan 4.420 nan 0.000 0.269 137 P C -0.651 176.731 177.300 0.138 0.000 1.209 137 P CA 0.202 63.273 63.100 -0.050 0.000 0.776 137 P CB 1.431 33.084 31.700 -0.078 0.000 0.876 138 V N 0.546 120.594 119.914 0.225 0.000 3.126 138 V HA 0.488 4.608 4.120 -0.000 0.000 0.314 138 V C 0.439 176.684 176.094 0.252 0.000 1.138 138 V CA -1.048 61.414 62.300 0.271 0.000 1.034 138 V CB 1.305 33.244 31.823 0.194 0.000 1.075 138 V HN 0.283 nan 8.190 nan 0.000 0.442 210 L N 0.437 121.617 121.223 -0.073 0.000 4.153 210 L HA -0.299 4.041 4.340 -0.000 0.000 0.076 210 L C 0.209 177.045 176.870 -0.057 0.000 2.845 210 L CA 1.792 56.601 54.840 -0.052 0.000 1.822 210 L CB -0.965 41.075 42.059 -0.032 0.000 2.596 210 L HN 0.484 nan 8.230 nan 0.000 0.679 211 V N 0.515 120.401 119.914 -0.048 0.000 2.348 211 V HA 0.149 4.269 4.120 -0.000 0.000 0.270 211 V C 1.069 177.166 176.094 0.004 0.000 1.037 211 V CA -0.289 62.001 62.300 -0.017 0.000 0.872 211 V CB 0.951 32.780 31.823 0.010 0.000 1.002 211 V HN 0.588 nan 8.190 nan 0.000 0.464 212 E N 3.616 123.818 120.200 0.004 0.000 2.086 212 E HA 0.039 4.389 4.350 -0.000 0.000 0.190 212 E C 0.272 176.882 176.600 0.017 0.000 0.975 212 E CA 0.475 56.881 56.400 0.009 0.000 0.813 212 E CB 0.251 29.954 29.700 0.005 0.000 0.768 212 E HN 0.523 nan 8.360 nan 0.000 0.457 213 R N 1.189 121.695 120.500 0.010 0.000 2.346 213 R HA 0.548 4.888 4.340 -0.000 0.000 0.309 213 R C -0.713 175.587 176.300 -0.001 0.000 1.119 213 R CA -0.261 55.840 56.100 0.002 0.000 1.112 213 R CB 1.069 31.358 30.300 -0.019 0.000 1.132 213 R HN -0.058 nan 8.270 nan 0.000 0.538 214 A N 3.404 126.236 122.820 0.021 0.000 2.355 214 A HA 0.742 5.062 4.320 -0.000 0.000 0.324 214 A C -0.262 177.343 177.584 0.036 0.000 1.117 214 A CA -0.864 51.198 52.037 0.041 0.000 0.785 214 A CB 1.500 20.545 19.000 0.075 0.000 1.254 214 A HN 0.582 nan 8.150 nan 0.000 0.453 215 R N 0.249 120.768 120.500 0.032 0.000 2.711 215 R HA 0.430 4.770 4.340 -0.000 0.000 0.284 215 R C -1.086 175.349 176.300 0.225 0.000 0.968 215 R CA -0.713 55.429 56.100 0.071 0.000 0.924 215 R CB 1.796 31.994 30.300 -0.171 0.000 1.162 215 R HN 0.908 nan 8.270 nan 0.000 0.465 216 H N 1.647 120.836 119.070 0.198 0.000 2.556 216 H HA 0.405 4.961 4.556 -0.000 0.000 0.310 216 H C -0.824 174.670 175.328 0.276 0.000 1.057 216 H CA -0.738 55.438 56.048 0.213 0.000 1.264 216 H CB 0.803 30.661 29.762 0.159 0.000 1.404 216 H HN 0.347 nan 8.280 nan 0.000 0.462 217 V N 2.942 122.966 119.914 0.185 0.000 2.680 217 V HA 0.530 4.650 4.120 -0.000 0.000 0.309 217 V C -0.672 175.506 176.094 0.141 0.000 1.052 217 V CA -1.026 61.426 62.300 0.254 0.000 0.908 217 V CB 1.673 33.676 31.823 0.300 0.000 1.001 217 V HN 0.944 nan 8.190 nan 0.000 0.431 218 E N 1.761 122.073 120.200 0.188 0.000 2.292 218 E HA 0.635 4.985 4.350 -0.000 0.000 0.272 218 E C -1.224 175.483 176.600 0.179 0.000 0.881 218 E CA -0.710 55.800 56.400 0.183 0.000 0.754 218 E CB 2.206 32.012 29.700 0.176 0.000 1.201 218 E HN 0.503 nan 8.360 nan 0.000 0.425 219 S N 1.693 117.512 115.700 0.197 0.000 2.525 219 S HA 0.128 4.598 4.470 -0.000 0.000 0.278 219 S C -0.419 174.247 174.600 0.110 0.000 1.234 219 S CA -0.557 57.724 58.200 0.136 0.000 1.058 219 S CB 1.173 64.448 63.200 0.126 0.000 0.983 219 S HN 0.552 nan 8.310 nan 0.000 0.495 220 Q N 2.946 122.814 119.800 0.113 0.000 2.294 220 Q HA 0.504 4.844 4.340 -0.000 0.000 0.257 220 Q C -0.684 175.355 176.000 0.064 0.000 0.955 220 Q CA -0.268 55.590 55.803 0.092 0.000 0.936 220 Q CB 0.113 28.922 28.738 0.118 0.000 1.188 220 Q HN 0.633 nan 8.270 nan 0.000 0.420 221 I N 0.847 121.425 120.570 0.013 0.000 2.910 221 I HA 0.687 4.857 4.170 -0.000 0.000 0.310 221 I C -1.284 174.844 176.117 0.019 0.000 1.043 221 I CA -1.003 60.296 61.300 -0.002 0.000 1.053 221 I CB 1.643 39.609 38.000 -0.057 0.000 1.242 221 I HN 0.524 nan 8.210 nan 0.000 0.452 222 L N 3.093 124.347 121.223 0.050 0.000 2.436 222 L HA 0.844 5.184 4.340 -0.000 0.000 0.268 222 L C -0.107 176.839 176.870 0.126 0.000 0.974 222 L CA -0.567 54.335 54.840 0.103 0.000 0.826 222 L CB 2.024 44.131 42.059 0.079 0.000 1.291 222 L HN 0.966 nan 8.230 nan 0.000 0.406 223 G N 0.576 109.497 108.800 0.201 0.000 2.524 223 G HA2 0.630 4.590 3.960 -0.000 0.000 0.310 223 G HA3 0.630 4.590 3.960 -0.000 0.000 0.310 223 G C -1.687 173.279 174.900 0.109 0.000 1.279 223 G CA -0.310 44.890 45.100 0.167 0.000 0.974 223 G HN 0.592 nan 8.290 nan 0.000 0.484 224 D N -1.364 119.081 120.400 0.074 0.000 2.449 224 D HA 0.384 5.024 4.640 -0.000 0.000 0.250 224 D C 1.334 177.607 176.300 -0.044 0.000 1.050 224 D CA -0.145 53.874 54.000 0.033 0.000 1.024 224 D CB 0.852 41.704 40.800 0.088 0.000 1.218 224 D HN 0.381 nan 8.370 nan 0.000 0.566 225 T N -3.553 110.891 114.554 -0.183 0.000 3.163 225 T HA -0.045 4.305 4.350 -0.000 0.000 0.260 225 T C 0.382 174.844 174.700 -0.397 0.000 1.156 225 T CA 0.833 62.749 62.100 -0.306 0.000 1.072 225 T CB -0.800 67.833 68.868 -0.391 0.000 0.937 225 T HN 0.532 nan 8.240 nan 0.000 0.528 226 H N -0.170 118.910 119.070 0.016 0.000 2.592 226 H HA 0.503 5.059 4.556 -0.000 0.000 0.279 226 H C 1.683 177.020 175.328 0.015 0.000 1.089 226 H CA -0.158 55.898 56.048 0.013 0.000 1.150 226 H CB 0.520 30.289 29.762 0.011 0.000 1.575 226 H HN 0.423 nan 8.280 nan 0.000 0.547 227 G N 0.823 109.675 108.800 0.086 0.000 2.157 227 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.248 227 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.248 227 G C -0.357 174.585 174.900 0.069 0.000 0.979 227 G CA -0.374 44.766 45.100 0.067 0.000 0.650 227 G HN 0.316 nan 8.290 nan 0.000 0.529 228 N N 0.328 119.078 118.700 0.083 0.000 2.455 228 N HA 0.557 5.297 4.740 -0.000 0.000 0.280 228 N C 0.195 175.745 175.510 0.066 0.000 1.055 228 N CA 0.463 53.554 53.050 0.068 0.000 0.961 228 N CB 2.233 40.763 38.487 0.071 0.000 1.121 228 N HN 0.851 nan 8.380 nan 0.000 0.476 229 V N -0.669 119.277 119.914 0.053 0.000 2.656 229 V HA 0.832 4.952 4.120 -0.000 0.000 0.307 229 V C 0.052 176.163 176.094 0.028 0.000 1.051 229 V CA -0.957 61.376 62.300 0.055 0.000 0.893 229 V CB 1.405 33.265 31.823 0.062 0.000 0.999 229 V HN 0.383 nan 8.190 nan 0.000 0.426 230 V N 1.578 121.500 119.914 0.014 0.000 3.001 230 V HA 0.872 4.992 4.120 -0.000 0.000 0.314 230 V C -0.565 175.508 176.094 -0.034 0.000 1.099 230 V CA -0.492 61.781 62.300 -0.044 0.000 0.989 230 V CB 1.596 33.365 31.823 -0.090 0.000 1.040 230 V HN 1.481 nan 8.190 nan 0.000 0.434 231 H N 1.916 120.907 119.070 -0.132 0.000 2.573 231 H HA 0.820 5.376 4.556 -0.000 0.000 0.351 231 H C -0.909 174.280 175.328 -0.232 0.000 1.163 231 H CA -1.240 54.707 56.048 -0.168 0.000 1.205 231 H CB 1.782 31.413 29.762 -0.219 0.000 1.605 231 H HN 0.505 nan 8.280 nan 0.000 0.525 232 L N 3.744 124.923 121.223 -0.073 0.000 3.141 232 L HA 0.279 4.619 4.340 -0.000 0.000 0.263 232 L C -0.822 176.198 176.870 0.250 0.000 1.312 232 L CA 0.090 54.925 54.840 -0.009 0.000 1.012 232 L CB -1.513 40.594 42.059 0.081 0.000 1.408 232 L HN 0.740 nan 8.230 nan 0.000 0.559 233 F N -0.936 119.234 119.950 0.368 0.000 2.182 233 F HA -0.312 4.215 4.527 -0.000 0.000 0.318 233 F C 1.006 176.867 175.800 0.102 0.000 0.129 233 F CA 1.291 59.431 58.000 0.234 0.000 0.911 233 F CB -0.612 38.456 39.000 0.115 0.000 4.131 233 F HN 0.356 nan 8.300 nan 0.000 0.140 234 E N 1.548 121.913 120.200 0.275 0.000 2.410 234 E HA 0.745 5.095 4.350 -0.000 0.000 0.269 234 E C -1.371 175.302 176.600 0.121 0.000 0.937 234 E CA -1.093 55.393 56.400 0.144 0.000 0.793 234 E CB 2.286 32.025 29.700 0.064 0.000 1.314 234 E HN 0.634 nan 8.360 nan 0.000 0.447 235 R N 0.291 120.867 120.500 0.128 0.000 2.750 235 R HA 0.374 4.714 4.340 -0.000 0.000 0.281 235 R C -1.179 175.223 176.300 0.171 0.000 0.972 235 R CA -0.924 55.253 56.100 0.128 0.000 0.912 235 R CB 1.507 31.893 30.300 0.144 0.000 1.187 235 R HN 0.588 nan 8.270 nan 0.000 0.464 236 D N 0.611 121.105 120.400 0.157 0.000 2.249 236 D HA 0.189 4.829 4.640 -0.000 0.000 0.246 236 D C -0.412 176.053 176.300 0.275 0.000 1.114 236 D CA -0.388 53.774 54.000 0.269 0.000 0.854 236 D CB 0.912 41.861 40.800 0.248 0.000 1.132 236 D HN 0.485 nan 8.370 nan 0.000 0.461 237 C N 3.165 122.667 119.300 0.338 0.000 2.859 237 C HA 0.245 4.705 4.460 -0.000 0.000 0.256 237 C C 1.699 176.764 174.990 0.124 0.000 1.660 237 C CA -0.423 58.687 59.018 0.153 0.000 1.755 237 C CB -1.138 26.577 27.740 -0.042 0.000 3.127 237 C HN 0.657 nan 8.230 nan 0.000 0.494 238 S N 0.421 116.288 115.700 0.279 0.000 2.428 238 S HA -0.040 4.430 4.470 -0.000 0.000 0.230 238 S C 0.959 175.659 174.600 0.166 0.000 1.014 238 S CA 0.754 59.120 58.200 0.278 0.000 0.957 238 S CB 0.013 63.478 63.200 0.442 0.000 0.784 238 S HN 0.514 nan 8.310 nan 0.000 0.499 239 V N 3.832 123.785 119.914 0.065 0.000 2.364 239 V HA 0.142 4.262 4.120 -0.000 0.000 0.252 239 V C -0.103 176.007 176.094 0.028 0.000 1.075 239 V CA 0.271 62.583 62.300 0.020 0.000 1.033 239 V CB -0.529 31.252 31.823 -0.070 0.000 1.116 239 V HN 0.420 nan 8.190 nan 0.000 0.488 240 Q N 4.654 124.485 119.800 0.052 0.000 2.375 240 Q HA 0.602 4.942 4.340 -0.000 0.000 0.271 240 Q C -0.547 175.471 176.000 0.030 0.000 1.074 240 Q CA -0.822 54.995 55.803 0.022 0.000 0.808 240 Q CB 2.953 31.698 28.738 0.013 0.000 1.327 240 Q HN 0.593 nan 8.270 nan 0.000 0.441 241 R N 1.227 121.733 120.500 0.011 0.000 2.445 241 R HA 0.473 4.813 4.340 -0.000 0.000 0.308 241 R C 0.049 176.327 176.300 -0.036 0.000 0.961 241 R CA 0.090 56.188 56.100 -0.004 0.000 0.862 241 R CB 0.937 31.213 30.300 -0.039 0.000 1.144 241 R HN 0.708 nan 8.270 nan 0.000 0.447 242 R N 2.808 123.285 120.500 -0.039 0.000 3.896 242 R HA -0.277 4.063 4.340 -0.000 0.000 0.391 242 R C 0.563 176.853 176.300 -0.018 0.000 0.244 242 R CA 2.042 58.120 56.100 -0.038 0.000 1.261 242 R CB -1.934 28.334 30.300 -0.054 0.000 0.966 242 R HN 0.915 nan 8.270 nan 0.000 0.576 243 N N 1.683 120.371 118.700 -0.019 0.000 2.291 243 N HA 0.318 5.058 4.740 -0.000 0.000 0.244 243 N C -0.355 175.142 175.510 -0.021 0.000 1.216 243 N CA 0.849 53.892 53.050 -0.011 0.000 0.879 243 N CB 1.416 39.900 38.487 -0.006 0.000 1.167 243 N HN 0.754 nan 8.380 nan 0.000 0.515 244 Q N 0.332 120.116 119.800 -0.026 0.000 2.282 244 Q HA 0.428 4.768 4.340 -0.000 0.000 0.260 244 Q C -0.227 175.751 176.000 -0.036 0.000 0.964 244 Q CA -0.721 55.063 55.803 -0.032 0.000 0.880 244 Q CB 0.740 29.462 28.738 -0.026 0.000 1.286 244 Q HN 0.218 nan 8.270 nan 0.000 0.445 245 K N 1.014 121.381 120.400 -0.055 0.000 2.412 245 K HA 0.305 4.625 4.320 -0.000 0.000 0.281 245 K C 0.212 176.795 176.600 -0.030 0.000 1.027 245 K CA 0.069 56.320 56.287 -0.060 0.000 0.989 245 K CB 1.069 33.516 32.500 -0.089 0.000 0.935 245 K HN 0.513 nan 8.250 nan 0.000 0.475 246 V N 2.327 122.230 119.914 -0.019 0.000 2.996 246 V HA 0.038 4.158 4.120 -0.000 0.000 0.235 246 V C -0.022 176.053 176.094 -0.032 0.000 1.205 246 V CA 0.127 62.421 62.300 -0.009 0.000 1.225 246 V CB 1.181 33.013 31.823 0.015 0.000 0.995 246 V HN 0.432 nan 8.190 nan 0.000 0.484 247 V N 1.433 121.326 119.914 -0.035 0.000 2.577 247 V HA 0.591 4.711 4.120 -0.000 0.000 0.303 247 V C -1.123 175.002 176.094 0.052 0.000 1.042 247 V CA -0.556 61.736 62.300 -0.014 0.000 0.872 247 V CB 1.896 33.672 31.823 -0.079 0.000 0.998 247 V HN 0.423 nan 8.190 nan 0.000 0.423 248 E N 3.414 123.652 120.200 0.063 0.000 2.244 248 E HA 0.794 5.144 4.350 -0.000 0.000 0.266 248 E C -0.799 175.867 176.600 0.110 0.000 0.914 248 E CA -0.798 55.655 56.400 0.088 0.000 0.794 248 E CB 2.177 31.913 29.700 0.059 0.000 1.210 248 E HN 0.559 nan 8.360 nan 0.000 0.414 249 R N 0.746 121.317 120.500 0.118 0.000 2.744 249 R HA 0.880 5.220 4.340 -0.000 0.000 0.279 249 R C -1.360 174.984 176.300 0.073 0.000 0.977 249 R CA -1.213 54.947 56.100 0.100 0.000 0.906 249 R CB 2.243 32.599 30.300 0.094 0.000 1.197 249 R HN 0.507 nan 8.270 nan 0.000 0.463 250 A N 3.235 126.090 122.820 0.057 0.000 2.398 250 A HA 0.663 4.983 4.320 -0.000 0.000 0.301 250 A C -2.595 174.965 177.584 -0.041 0.000 1.041 250 A CA -1.754 50.299 52.037 0.025 0.000 0.711 250 A CB 1.505 20.538 19.000 0.055 0.000 1.240 250 A HN 0.432 nan 8.150 nan 0.000 0.420 251 P HA 0.361 nan 4.420 nan 0.000 0.286 251 P C 0.014 177.253 177.300 -0.102 0.000 1.293 251 P CA -0.138 62.896 63.100 -0.109 0.000 0.770 251 P CB 0.663 32.240 31.700 -0.205 0.000 1.206 252 A N 1.287 124.011 122.820 -0.160 0.000 2.444 252 A HA 0.276 4.596 4.320 -0.000 0.000 0.273 252 A C -1.329 175.956 177.584 -0.497 0.000 1.136 252 A CA -1.019 50.782 52.037 -0.393 0.000 0.799 252 A CB -0.815 17.878 19.000 -0.513 0.000 1.081 252 A HN 0.401 nan 8.150 nan 0.000 0.509 253 P HA -0.103 nan 4.420 nan 0.000 0.229 253 P C 0.521 177.681 177.300 -0.232 0.000 1.160 253 P CA 1.106 64.071 63.100 -0.226 0.000 0.777 253 P CB -0.136 31.480 31.700 -0.140 0.000 0.814 254 Y N -1.452 118.810 120.300 -0.064 0.000 2.529 254 Y HA 0.312 4.862 4.550 -0.000 0.000 0.290 254 Y C 0.959 176.836 175.900 -0.039 0.000 1.177 254 Y CA -0.860 57.185 58.100 -0.091 0.000 1.305 254 Y CB -1.351 37.016 38.460 -0.154 0.000 1.047 254 Y HN -0.235 nan 8.280 nan 0.000 0.522 255 L N 1.730 122.905 121.223 -0.079 0.000 2.375 255 L HA 0.313 4.653 4.340 -0.000 0.000 0.271 255 L C 0.768 177.651 176.870 0.020 0.000 1.107 255 L CA -0.823 54.044 54.840 0.046 0.000 0.806 255 L CB 1.181 43.261 42.059 0.034 0.000 1.146 255 L HN 0.275 nan 8.230 nan 0.000 0.447 256 S N 0.376 116.100 115.700 0.041 0.000 2.624 256 S HA 0.075 4.545 4.470 -0.000 0.000 0.263 256 S C 0.681 175.291 174.600 0.017 0.000 1.287 256 S CA -0.533 57.678 58.200 0.019 0.000 0.990 256 S CB 1.420 64.630 63.200 0.017 0.000 0.950 256 S HN 0.698 nan 8.310 nan 0.000 0.561 257 E N 0.552 120.756 120.200 0.007 0.000 2.285 257 E HA 0.082 4.432 4.350 -0.000 0.000 0.194 257 E C 1.948 178.554 176.600 0.010 0.000 0.997 257 E CA 0.894 57.300 56.400 0.010 0.000 0.845 257 E CB -0.579 29.125 29.700 0.008 0.000 0.782 257 E HN 0.769 nan 8.360 nan 0.000 0.491 258 A N 0.483 123.307 122.820 0.007 0.000 1.877 258 A HA -0.253 4.067 4.320 -0.000 0.000 0.216 258 A C 2.092 179.674 177.584 -0.003 0.000 1.186 258 A CA 1.640 53.675 52.037 -0.004 0.000 0.620 258 A CB -0.529 18.470 19.000 -0.001 0.000 0.822 258 A HN 0.302 nan 8.150 nan 0.000 0.443 259 Q N -1.076 118.751 119.800 0.045 0.000 2.096 259 Q HA -0.214 4.126 4.340 -0.000 0.000 0.204 259 Q C 2.366 178.371 176.000 0.008 0.000 0.982 259 Q CA 1.780 57.664 55.803 0.135 0.000 0.850 259 Q CB -0.208 28.676 28.738 0.243 0.000 0.901 259 Q HN 0.690 nan 8.270 nan 0.000 0.422 260 R N 0.234 120.729 120.500 -0.008 0.000 2.091 260 R HA -0.194 4.146 4.340 -0.000 0.000 0.238 260 R C 2.068 178.282 176.300 -0.144 0.000 1.136 260 R CA 1.455 57.522 56.100 -0.054 0.000 0.959 260 R CB 0.135 30.455 30.300 0.034 0.000 0.856 260 R HN 0.227 nan 8.270 nan 0.000 0.437 261 Q N 0.044 119.774 119.800 -0.117 0.000 2.187 261 Q HA -0.142 4.198 4.340 -0.000 0.000 0.199 261 Q C 1.773 177.596 176.000 -0.295 0.000 0.957 261 Q CA 1.272 56.972 55.803 -0.171 0.000 0.857 261 Q CB -0.016 28.676 28.738 -0.077 0.000 0.929 261 Q HN 0.566 nan 8.270 nan 0.000 0.453 262 E N 0.595 120.608 120.200 -0.312 0.000 2.051 262 E HA -0.192 4.158 4.350 -0.000 0.000 0.192 262 E C 1.988 178.065 176.600 -0.870 0.000 0.991 262 E CA 0.702 56.800 56.400 -0.503 0.000 0.799 262 E CB 0.012 29.518 29.700 -0.322 0.000 0.748 262 E HN 0.162 nan 8.360 nan 0.000 0.449 263 L N 1.021 121.759 121.223 -0.808 0.000 2.017 263 L HA -0.119 4.221 4.340 -0.000 0.000 0.208 263 L C 2.411 178.923 176.870 -0.597 0.000 1.073 263 L CA 2.168 56.456 54.840 -0.921 0.000 0.745 263 L CB -0.695 40.736 42.059 -1.046 0.000 0.894 263 L HN 0.224 nan 8.230 nan 0.000 0.432 264 A N -0.665 121.816 122.820 -0.565 0.000 1.940 264 A HA -0.195 4.125 4.320 -0.000 0.000 0.219 264 A C 2.420 179.761 177.584 -0.406 0.000 1.176 264 A CA 1.966 53.607 52.037 -0.661 0.000 0.631 264 A CB -1.137 17.153 19.000 -1.183 0.000 0.814 264 A HN 0.566 nan 8.150 nan 0.000 0.446 265 A N -1.538 121.057 122.820 -0.375 0.000 1.930 265 A HA 0.019 4.339 4.320 -0.000 0.000 0.217 265 A C 2.060 179.590 177.584 -0.091 0.000 1.175 265 A CA 1.432 53.330 52.037 -0.231 0.000 0.627 265 A CB -0.676 18.169 19.000 -0.257 0.000 0.815 265 A HN 0.538 nan 8.150 nan 0.000 0.443 266 Y N 0.631 120.856 120.300 -0.126 0.000 2.163 266 Y HA -0.113 4.437 4.550 -0.000 0.000 0.288 266 Y C 3.008 178.918 175.900 0.018 0.000 1.136 266 Y CA 0.855 58.932 58.100 -0.039 0.000 1.147 266 Y CB -1.023 37.432 38.460 -0.009 0.000 0.987 266 Y HN 0.265 nan 8.280 nan 0.000 0.509 267 S N 0.035 115.850 115.700 0.191 0.000 2.382 267 S HA -0.129 4.341 4.470 -0.000 0.000 0.228 267 S C 2.181 176.812 174.600 0.052 0.000 1.027 267 S CA 1.000 59.292 58.200 0.153 0.000 0.991 267 S CB -0.569 62.706 63.200 0.124 0.000 0.823 267 S HN 0.334 nan 8.310 nan 0.000 0.469 268 L N 0.978 122.212 121.223 0.020 0.000 2.093 268 L HA -0.107 4.233 4.340 -0.000 0.000 0.208 268 L C 2.419 179.301 176.870 0.021 0.000 1.085 268 L CA 1.136 55.989 54.840 0.021 0.000 0.755 268 L CB -0.396 41.673 42.059 0.017 0.000 0.904 268 L HN 0.255 nan 8.230 nan 0.000 0.435 269 K N -0.025 120.391 120.400 0.027 0.000 2.032 269 K HA -0.180 4.140 4.320 -0.000 0.000 0.209 269 K C 2.042 178.631 176.600 -0.018 0.000 1.048 269 K CA 1.217 57.513 56.287 0.015 0.000 0.927 269 K CB -0.067 32.454 32.500 0.035 0.000 0.712 269 K HN 0.133 nan 8.250 nan 0.000 0.441 270 I N 1.186 121.729 120.570 -0.044 0.000 2.142 270 I HA -0.240 3.930 4.170 -0.000 0.000 0.240 270 I C 2.520 178.617 176.117 -0.035 0.000 1.078 270 I CA 1.417 62.655 61.300 -0.104 0.000 1.343 270 I CB -1.610 36.285 38.000 -0.174 0.000 1.046 270 I HN 0.122 nan 8.210 nan 0.000 0.405 271 A N 1.180 123.993 122.820 -0.012 0.000 1.873 271 A HA -0.165 4.155 4.320 -0.000 0.000 0.218 271 A C 2.531 180.162 177.584 0.079 0.000 1.193 271 A CA 2.292 54.347 52.037 0.031 0.000 0.629 271 A CB -1.478 17.531 19.000 0.014 0.000 0.826 271 A HN 0.444 nan 8.150 nan 0.000 0.447 272 G N -0.924 107.904 108.800 0.047 0.000 2.422 272 G HA2 0.044 4.004 3.960 -0.000 0.000 0.218 272 G HA3 0.044 4.004 3.960 -0.000 0.000 0.218 272 G C 1.706 176.627 174.900 0.035 0.000 1.146 272 G CA 1.411 46.538 45.100 0.045 0.000 0.769 272 G HN 0.856 nan 8.290 nan 0.000 0.547 273 A N 0.693 123.523 122.820 0.017 0.000 1.969 273 A HA 0.018 4.338 4.320 -0.000 0.000 0.218 273 A C 2.487 180.084 177.584 0.021 0.000 1.169 273 A CA 2.384 54.424 52.037 0.005 0.000 0.635 273 A CB -0.743 18.242 19.000 -0.025 0.000 0.810 273 A HN 0.525 nan 8.150 nan 0.000 0.445 274 T N -3.464 111.119 114.554 0.049 0.000 3.107 274 T HA 0.138 4.488 4.350 -0.000 0.000 0.249 274 T C 0.386 175.138 174.700 0.088 0.000 1.096 274 T CA 0.373 62.521 62.100 0.080 0.000 1.012 274 T CB -0.897 68.054 68.868 0.139 0.000 0.977 274 T HN 0.576 nan 8.240 nan 0.000 0.527 275 N N 0.456 119.201 118.700 0.076 0.000 2.716 275 N HA -0.222 4.518 4.740 -0.000 0.000 0.250 275 N C -0.711 174.842 175.510 0.072 0.000 1.033 275 N CA 0.125 53.211 53.050 0.060 0.000 0.727 275 N CB -1.826 36.673 38.487 0.020 0.000 0.950 275 N HN 0.657 nan 8.380 nan 0.000 0.541 276 Y N 0.719 121.027 120.300 0.013 0.000 2.620 276 Y HA 0.221 4.771 4.550 -0.000 0.000 0.330 276 Y C 0.552 176.463 175.900 0.018 0.000 1.186 276 Y CA 0.262 58.374 58.100 0.021 0.000 1.467 276 Y CB 0.462 38.940 38.460 0.031 0.000 1.262 276 Y HN 0.103 nan 8.280 nan 0.000 0.550 277 I N 6.368 126.692 120.570 -0.411 0.000 2.362 277 I HA 0.567 4.737 4.170 -0.000 0.000 0.289 277 I C 0.491 176.476 176.117 -0.220 0.000 0.994 277 I CA 0.104 61.282 61.300 -0.204 0.000 1.158 277 I CB 1.109 39.009 38.000 -0.167 0.000 1.315 277 I HN 0.918 nan 8.210 nan 0.000 0.451 278 G N 4.539 113.365 108.800 0.043 0.000 2.428 278 G HA2 0.114 4.074 3.960 -0.000 0.000 0.202 278 G HA3 0.114 4.074 3.960 -0.000 0.000 0.202 278 G C -0.905 174.178 174.900 0.305 0.000 1.247 278 G CA -0.319 44.841 45.100 0.099 0.000 1.020 278 G HN 0.935 nan 8.290 nan 0.000 0.529 279 A N -0.253 122.727 122.820 0.266 0.000 2.290 279 A HA 0.951 5.271 4.320 -0.000 0.000 0.310 279 A C 0.664 178.434 177.584 0.310 0.000 1.202 279 A CA 1.002 53.179 52.037 0.234 0.000 0.837 279 A CB 1.065 20.141 19.000 0.127 0.000 1.139 279 A HN 2.475 nan 8.150 nan 0.000 0.509 280 G N 0.012 108.832 108.800 0.032 0.000 2.690 280 G HA2 0.613 4.573 3.960 -0.000 0.000 0.291 280 G HA3 0.613 4.573 3.960 -0.000 0.000 0.291 280 G C -1.061 173.759 174.900 -0.134 0.000 1.403 280 G CA -0.427 44.568 45.100 -0.174 0.000 0.864 280 G HN 0.701 nan 8.290 nan 0.000 0.480 281 T N 0.475 114.985 114.554 -0.072 0.000 2.812 281 T HA 0.495 4.845 4.350 -0.000 0.000 0.282 281 T C -0.323 174.362 174.700 -0.025 0.000 0.990 281 T CA -0.335 61.759 62.100 -0.009 0.000 0.960 281 T CB 1.663 70.565 68.868 0.056 0.000 0.948 281 T HN 0.431 nan 8.240 nan 0.000 0.438 282 V N 4.096 124.008 119.914 -0.003 0.000 2.364 282 V HA 0.306 4.426 4.120 -0.000 0.000 0.272 282 V C 0.325 176.341 176.094 -0.130 0.000 1.036 282 V CA -0.670 61.615 62.300 -0.025 0.000 0.880 282 V CB 0.684 32.539 31.823 0.054 0.000 0.991 282 V HN 0.826 nan 8.190 nan 0.000 0.460 283 E N 4.353 124.369 120.200 -0.308 0.000 2.191 283 E HA 0.578 4.928 4.350 -0.000 0.000 0.278 283 E C -1.562 174.688 176.600 -0.584 0.000 0.972 283 E CA -0.482 55.708 56.400 -0.351 0.000 0.804 283 E CB 1.770 31.309 29.700 -0.268 0.000 1.110 283 E HN 0.646 nan 8.360 nan 0.000 0.394 284 Y N 0.928 121.110 120.300 -0.197 0.000 2.536 284 Y HA 0.402 4.952 4.550 -0.000 0.000 0.347 284 Y C -0.379 175.497 175.900 -0.040 0.000 1.000 284 Y CA -1.073 57.000 58.100 -0.045 0.000 1.051 284 Y CB 1.412 39.928 38.460 0.094 0.000 1.259 284 Y HN 0.365 nan 8.280 nan 0.000 0.468 285 L N 3.227 124.610 121.223 0.268 0.000 2.307 285 L HA 0.518 4.858 4.340 -0.000 0.000 0.282 285 L C -0.588 176.503 176.870 0.369 0.000 1.051 285 L CA -0.378 54.624 54.840 0.271 0.000 0.804 285 L CB 1.019 43.223 42.059 0.241 0.000 1.197 285 L HN 0.669 nan 8.230 nan 0.000 0.431 286 M N 4.080 123.836 119.600 0.260 0.000 2.167 286 M HA 0.276 4.756 4.480 -0.000 0.000 0.333 286 M C -1.093 175.226 176.300 0.031 0.000 1.030 286 M CA -0.732 54.624 55.300 0.094 0.000 0.963 286 M CB 1.236 33.874 32.600 0.063 0.000 1.589 286 M HN 0.458 nan 8.290 nan 0.000 0.431 287 D N 4.169 124.581 120.400 0.021 0.000 2.338 287 D HA 0.238 4.878 4.640 -0.000 0.000 0.255 287 D C 0.856 177.107 176.300 -0.081 0.000 1.237 287 D CA 0.220 54.241 54.000 0.034 0.000 0.883 287 D CB 1.436 42.322 40.800 0.143 0.000 1.087 287 D HN 0.761 nan 8.370 nan 0.000 0.485 288 A N 4.349 127.114 122.820 -0.093 0.000 2.024 288 A HA -0.187 4.133 4.320 -0.000 0.000 0.220 288 A C 1.644 179.160 177.584 -0.112 0.000 1.164 288 A CA 1.184 53.134 52.037 -0.145 0.000 0.643 288 A CB -0.038 18.866 19.000 -0.160 0.000 0.806 288 A HN 0.562 nan 8.150 nan 0.000 0.451 289 D N -0.921 119.436 120.400 -0.071 0.000 2.224 289 D HA -0.067 4.573 4.640 -0.000 0.000 0.205 289 D C 1.901 178.166 176.300 -0.059 0.000 0.965 289 D CA 1.921 55.889 54.000 -0.055 0.000 0.852 289 D CB -0.135 40.648 40.800 -0.029 0.000 0.947 289 D HN 0.661 nan 8.370 nan 0.000 0.494 290 T N -4.811 109.700 114.554 -0.071 0.000 2.975 290 T HA 0.365 4.715 4.350 -0.000 0.000 0.261 290 T C 1.666 176.283 174.700 -0.138 0.000 0.984 290 T CA 0.614 62.668 62.100 -0.076 0.000 0.911 290 T CB 0.963 69.809 68.868 -0.037 0.000 1.127 290 T HN 0.122 nan 8.240 nan 0.000 0.514 291 G N 2.067 110.746 108.800 -0.202 0.000 2.168 291 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.263 291 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.263 291 G C -0.034 174.539 174.900 -0.545 0.000 0.977 291 G CA 0.336 45.233 45.100 -0.338 0.000 0.659 291 G HN 0.678 nan 8.290 nan 0.000 0.533 292 K N -0.263 119.886 120.400 -0.417 0.000 2.298 292 K HA 0.492 4.812 4.320 -0.000 0.000 0.280 292 K C -0.146 176.020 176.600 -0.724 0.000 1.032 292 K CA -0.214 55.760 56.287 -0.522 0.000 0.958 292 K CB 0.411 32.665 32.500 -0.409 0.000 0.978 292 K HN 0.094 nan 8.250 nan 0.000 0.472 293 F N 1.946 121.661 119.950 -0.392 0.000 2.399 293 F HA 0.341 4.868 4.527 -0.000 0.000 0.328 293 F C -0.321 175.190 175.800 -0.481 0.000 1.084 293 F CA -0.449 57.385 58.000 -0.277 0.000 1.053 293 F CB 0.766 39.717 39.000 -0.082 0.000 1.209 293 F HN 0.320 nan 8.300 nan 0.000 0.502 294 Y N 1.816 122.364 120.300 0.413 0.000 2.361 294 Y HA 0.268 4.818 4.550 -0.000 0.000 0.328 294 Y C -0.573 175.523 175.900 0.326 0.000 1.044 294 Y CA -1.471 56.798 58.100 0.281 0.000 1.085 294 Y CB 1.195 39.742 38.460 0.145 0.000 1.194 294 Y HN 0.475 nan 8.280 nan 0.000 0.438 295 F N 3.444 123.548 119.950 0.255 0.000 2.538 295 F HA 0.292 4.819 4.527 -0.000 0.000 0.371 295 F C 0.234 175.991 175.800 -0.070 0.000 1.087 295 F CA 0.341 58.284 58.000 -0.096 0.000 1.250 295 F CB 0.505 39.417 39.000 -0.147 0.000 1.110 295 F HN 0.402 nan 8.300 nan 0.000 0.570 296 I N 2.788 122.741 120.570 -1.028 0.000 3.345 296 I HA 0.218 4.388 4.170 -0.000 0.000 0.258 296 I C -0.138 175.379 176.117 -0.999 0.000 1.134 296 I CA 0.757 61.617 61.300 -0.734 0.000 1.457 296 I CB -0.393 37.392 38.000 -0.358 0.000 1.425 296 I HN 0.788 nan 8.210 nan 0.000 0.461 297 E N -1.140 118.391 120.200 -1.117 0.000 2.416 297 E HA 0.562 4.912 4.350 -0.000 0.000 0.280 297 E C -1.731 174.665 176.600 -0.340 0.000 1.055 297 E CA -0.684 55.336 56.400 -0.633 0.000 0.825 297 E CB 2.024 31.575 29.700 -0.249 0.000 1.312 297 E HN -0.079 nan 8.360 nan 0.000 0.452 298 V N 1.685 121.610 119.914 0.018 0.000 2.394 298 V HA 0.282 4.402 4.120 -0.000 0.000 0.282 298 V C -0.274 175.851 176.094 0.052 0.000 1.031 298 V CA -0.817 61.522 62.300 0.065 0.000 0.881 298 V CB 1.300 33.195 31.823 0.121 0.000 0.982 298 V HN 0.619 nan 8.190 nan 0.000 0.451 299 N N 6.920 125.644 118.700 0.039 0.000 2.415 299 N HA 0.246 4.986 4.740 -0.000 0.000 0.246 299 N C -2.270 173.316 175.510 0.127 0.000 1.078 299 N CA -1.141 51.957 53.050 0.080 0.000 0.942 299 N CB 1.818 40.349 38.487 0.073 0.000 1.140 299 N HN 0.437 nan 8.380 nan 0.000 0.501 300 P HA 0.129 nan 4.420 nan 0.000 0.214 300 P C -0.913 176.584 177.300 0.329 0.000 1.807 300 P CA 0.045 63.362 63.100 0.362 0.000 0.921 300 P CB -0.189 31.709 31.700 0.331 0.000 1.835 301 R N -0.984 119.671 120.500 0.257 0.000 2.741 301 R HA 0.466 4.806 4.340 -0.000 0.000 0.276 301 R C -0.813 175.585 176.300 0.164 0.000 1.028 301 R CA -1.118 55.102 56.100 0.200 0.000 0.865 301 R CB 0.317 30.735 30.300 0.196 0.000 1.268 301 R HN -0.091 nan 8.270 nan 0.000 0.475 302 I N 0.898 121.553 120.570 0.142 0.000 2.993 302 I HA -0.001 4.169 4.170 -0.000 0.000 0.286 302 I C -0.285 175.938 176.117 0.176 0.000 1.215 302 I CA 0.436 61.809 61.300 0.121 0.000 1.393 302 I CB 0.820 38.842 38.000 0.036 0.000 1.371 302 I HN 0.554 nan 8.210 nan 0.000 0.602 303 Q N 3.273 123.168 119.800 0.159 0.000 2.458 303 Q HA 0.223 4.563 4.340 -0.000 0.000 0.282 303 Q C 0.373 176.426 176.000 0.087 0.000 1.106 303 Q CA -0.725 55.121 55.803 0.071 0.000 0.814 303 Q CB 2.241 31.010 28.738 0.053 0.000 1.425 303 Q HN 0.603 nan 8.270 nan 0.000 0.437 304 V N 1.405 121.140 119.914 -0.299 0.000 2.490 304 V HA -0.188 3.932 4.120 -0.000 0.000 0.250 304 V C 1.535 177.625 176.094 -0.007 0.000 1.061 304 V CA 2.427 64.566 62.300 -0.268 0.000 1.064 304 V CB -0.228 31.258 31.823 -0.561 0.000 0.670 304 V HN 0.837 nan 8.190 nan 0.000 0.461 305 E N 0.184 120.382 120.200 -0.004 0.000 2.445 305 E HA -0.172 4.178 4.350 -0.000 0.000 0.189 305 E C 1.665 178.288 176.600 0.038 0.000 1.069 305 E CA 0.459 56.862 56.400 0.006 0.000 0.871 305 E CB -0.828 28.884 29.700 0.019 0.000 0.991 305 E HN 0.939 nan 8.360 nan 0.000 0.481 306 H N 1.703 120.805 119.070 0.054 0.000 2.457 306 H HA -0.131 4.425 4.556 -0.000 0.000 0.297 306 H C 1.702 177.076 175.328 0.076 0.000 1.092 306 H CA 1.905 57.999 56.048 0.076 0.000 1.309 306 H CB -0.961 28.856 29.762 0.091 0.000 1.382 306 H HN 0.276 nan 8.280 nan 0.000 0.535 307 T N 0.498 114.728 114.554 -0.540 0.000 2.759 307 T HA -0.174 4.176 4.350 -0.000 0.000 0.269 307 T C 2.272 176.922 174.700 -0.083 0.000 1.042 307 T CA 2.413 64.303 62.100 -0.350 0.000 1.140 307 T CB -1.202 67.489 68.868 -0.296 0.000 0.864 307 T HN 0.363 nan 8.240 nan 0.000 0.455 308 V N -0.120 119.779 119.914 -0.024 0.000 2.427 308 V HA -0.093 4.027 4.120 -0.000 0.000 0.248 308 V C 2.633 178.769 176.094 0.069 0.000 1.051 308 V CA 2.085 64.412 62.300 0.044 0.000 1.048 308 V CB -1.920 29.940 31.823 0.060 0.000 0.666 308 V HN 0.473 nan 8.190 nan 0.000 0.456 309 T N 0.376 114.976 114.554 0.077 0.000 2.746 309 T HA -0.159 4.191 4.350 -0.000 0.000 0.267 309 T C 1.845 176.605 174.700 0.099 0.000 1.039 309 T CA 2.087 64.252 62.100 0.108 0.000 1.142 309 T CB -0.338 68.612 68.868 0.138 0.000 0.866 309 T HN 0.686 nan 8.240 nan 0.000 0.444 310 E N 0.618 120.870 120.200 0.086 0.000 2.077 310 E HA -0.120 4.230 4.350 -0.000 0.000 0.193 310 E C 2.525 179.146 176.600 0.035 0.000 0.989 310 E CA 1.547 57.993 56.400 0.076 0.000 0.800 310 E CB -0.286 29.465 29.700 0.085 0.000 0.746 310 E HN 0.518 nan 8.360 nan 0.000 0.452 311 V N -0.490 119.439 119.914 0.024 0.000 2.667 311 V HA -0.114 4.006 4.120 -0.000 0.000 0.252 311 V C 2.318 178.400 176.094 -0.019 0.000 1.065 311 V CA 1.357 63.641 62.300 -0.027 0.000 1.083 311 V CB -0.540 31.282 31.823 -0.002 0.000 0.692 311 V HN 0.234 nan 8.190 nan 0.000 0.468 312 V N -0.064 119.900 119.914 0.082 0.000 3.235 312 V HA 0.030 4.150 4.120 -0.000 0.000 0.259 312 V C 2.260 178.380 176.094 0.044 0.000 1.133 312 V CA 1.717 64.081 62.300 0.106 0.000 1.128 312 V CB -0.926 30.947 31.823 0.083 0.000 0.757 312 V HN 0.710 nan 8.190 nan 0.000 0.469 313 T N -3.727 110.860 114.554 0.054 0.000 3.015 313 T HA 0.402 4.752 4.350 -0.000 0.000 0.250 313 T C 1.795 176.518 174.700 0.038 0.000 1.057 313 T CA 0.927 63.070 62.100 0.071 0.000 1.066 313 T CB 0.341 69.288 68.868 0.132 0.000 0.959 313 T HN 1.534 nan 8.240 nan 0.000 0.488 314 G N 1.570 110.375 108.800 0.007 0.000 2.162 314 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.260 314 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.260 314 G C -0.042 174.871 174.900 0.022 0.000 0.976 314 G CA 0.241 45.336 45.100 -0.009 0.000 0.655 314 G HN 0.665 nan 8.290 nan 0.000 0.533 315 I N 1.126 121.725 120.570 0.047 0.000 2.339 315 I HA 0.270 4.440 4.170 -0.000 0.000 0.290 315 I C -0.250 175.915 176.117 0.080 0.000 0.994 315 I CA -0.836 60.501 61.300 0.062 0.000 1.191 315 I CB 1.546 39.585 38.000 0.065 0.000 1.343 315 I HN -0.007 nan 8.210 nan 0.000 0.458 316 D N 6.920 127.369 120.400 0.082 0.000 2.344 316 D HA 0.150 4.790 4.640 -0.000 0.000 0.253 316 D C 0.967 177.327 176.300 0.100 0.000 1.255 316 D CA 0.215 54.272 54.000 0.095 0.000 0.894 316 D CB 0.985 41.835 40.800 0.084 0.000 1.067 316 D HN 0.449 nan 8.370 nan 0.000 0.492 317 I N 3.329 123.970 120.570 0.120 0.000 2.439 317 I HA -0.212 3.958 4.170 -0.000 0.000 0.251 317 I C 2.241 178.391 176.117 0.055 0.000 1.139 317 I CA 0.354 61.712 61.300 0.096 0.000 1.438 317 I CB 0.241 38.313 38.000 0.120 0.000 1.085 317 I HN 0.308 nan 8.210 nan 0.000 0.427 318 V N 0.691 120.622 119.914 0.029 0.000 2.323 318 V HA -0.224 3.896 4.120 -0.000 0.000 0.244 318 V C 2.365 178.459 176.094 -0.001 0.000 1.041 318 V CA 1.649 63.952 62.300 0.006 0.000 1.025 318 V CB -0.655 31.129 31.823 -0.066 0.000 0.656 318 V HN 0.349 nan 8.190 nan 0.000 0.451 319 K N 0.565 120.962 120.400 -0.005 0.000 2.063 319 K HA -0.147 4.173 4.320 -0.000 0.000 0.208 319 K C 2.330 178.886 176.600 -0.073 0.000 1.048 319 K CA 1.494 57.732 56.287 -0.082 0.000 0.928 319 K CB -0.455 32.052 32.500 0.012 0.000 0.713 319 K HN 0.466 nan 8.250 nan 0.000 0.442 320 A N 1.618 124.483 122.820 0.075 0.000 1.883 320 A HA -0.266 4.054 4.320 -0.000 0.000 0.217 320 A C 2.094 179.723 177.584 0.075 0.000 1.186 320 A CA 1.504 53.617 52.037 0.125 0.000 0.624 320 A CB -0.547 18.519 19.000 0.111 0.000 0.822 320 A HN 0.321 nan 8.150 nan 0.000 0.444 321 Q N -0.595 119.230 119.800 0.041 0.000 2.077 321 Q HA -0.191 4.149 4.340 -0.000 0.000 0.206 321 Q C 2.088 178.075 176.000 -0.022 0.000 0.989 321 Q CA 1.845 57.655 55.803 0.012 0.000 0.853 321 Q CB -0.392 28.358 28.738 0.020 0.000 0.907 321 Q HN 0.773 nan 8.270 nan 0.000 0.418 322 I N -0.047 120.487 120.570 -0.059 0.000 2.142 322 I HA -0.293 3.877 4.170 -0.000 0.000 0.240 322 I C 2.240 178.308 176.117 -0.082 0.000 1.078 322 I CA 1.087 62.323 61.300 -0.107 0.000 1.343 322 I CB -0.457 37.438 38.000 -0.175 0.000 1.046 322 I HN 0.288 nan 8.210 nan 0.000 0.405 323 H N 0.564 119.654 119.070 0.033 0.000 2.387 323 H HA -0.113 4.443 4.556 -0.000 0.000 0.299 323 H C 2.420 177.766 175.328 0.031 0.000 1.099 323 H CA 1.551 57.619 56.048 0.034 0.000 1.315 323 H CB -0.395 29.390 29.762 0.038 0.000 1.380 323 H HN 0.355 nan 8.280 nan 0.000 0.513 324 I N 0.158 120.813 120.570 0.141 0.000 2.142 324 I HA -0.260 3.910 4.170 -0.000 0.000 0.240 324 I C 2.077 178.211 176.117 0.028 0.000 1.078 324 I CA 0.890 62.237 61.300 0.079 0.000 1.343 324 I CB -0.154 37.881 38.000 0.059 0.000 1.046 324 I HN 0.074 nan 8.210 nan 0.000 0.405 325 L N 0.026 121.251 121.223 0.002 0.000 2.275 325 L HA -0.199 4.141 4.340 -0.000 0.000 0.215 325 L C 1.781 178.651 176.870 0.001 0.000 1.119 325 L CA 1.560 56.387 54.840 -0.022 0.000 0.790 325 L CB -0.751 41.276 42.059 -0.054 0.000 0.919 325 L HN 0.177 nan 8.230 nan 0.000 0.443 326 D N -0.271 120.149 120.400 0.034 0.000 2.378 326 D HA 0.000 4.640 4.640 -0.000 0.000 0.222 326 D C 1.745 178.083 176.300 0.063 0.000 0.980 326 D CA 1.114 55.148 54.000 0.056 0.000 0.907 326 D CB 0.132 40.992 40.800 0.100 0.000 0.899 326 D HN 0.386 nan 8.370 nan 0.000 0.527 327 G N -0.485 108.349 108.800 0.056 0.000 2.159 327 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.227 327 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.227 327 G C 0.516 175.535 174.900 0.199 0.000 0.986 327 G CA 0.186 45.331 45.100 0.075 0.000 0.651 327 G HN 0.584 nan 8.290 nan 0.000 0.523 328 A N 0.015 122.932 122.820 0.162 0.000 2.386 328 A HA 0.813 5.133 4.320 -0.000 0.000 0.248 328 A C 0.863 178.578 177.584 0.218 0.000 1.082 328 A CA 0.944 53.073 52.037 0.154 0.000 0.789 328 A CB 0.597 19.651 19.000 0.089 0.000 1.025 328 A HN 2.068 nan 8.150 nan 0.000 0.490 329 A N 1.871 124.776 122.820 0.141 0.000 2.289 329 A HA 0.570 4.890 4.320 -0.000 0.000 0.298 329 A C 0.127 177.752 177.584 0.069 0.000 1.208 329 A CA -0.514 51.601 52.037 0.130 0.000 0.845 329 A CB -0.078 18.889 19.000 -0.055 0.000 1.125 329 A HN 0.750 nan 8.150 nan 0.000 0.517 330 I N 2.083 122.704 120.570 0.085 0.000 2.752 330 I HA 0.229 4.399 4.170 -0.000 0.000 0.289 330 I C 1.495 177.625 176.117 0.021 0.000 1.197 330 I CA 2.007 63.336 61.300 0.049 0.000 1.432 330 I CB 0.553 38.584 38.000 0.052 0.000 1.359 330 I HN 1.046 nan 8.210 nan 0.000 0.571 331 G N 3.528 112.332 108.800 0.006 0.000 2.278 331 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.210 331 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.210 331 G C 0.314 175.206 174.900 -0.015 0.000 1.000 331 G CA 0.018 45.114 45.100 -0.006 0.000 0.635 331 G HN 0.752 nan 8.290 nan 0.000 0.495 332 T N -0.585 113.957 114.554 -0.019 0.000 2.907 332 T HA 0.661 5.011 4.350 -0.000 0.000 0.284 332 T C -0.850 173.823 174.700 -0.045 0.000 1.004 332 T CA -1.022 61.058 62.100 -0.032 0.000 1.063 332 T CB 2.638 71.483 68.868 -0.039 0.000 0.992 332 T HN -0.037 nan 8.240 nan 0.000 0.483 333 P HA -0.147 nan 4.420 nan 0.000 0.217 333 P C 1.157 178.389 177.300 -0.114 0.000 1.148 333 P CA 1.166 64.230 63.100 -0.059 0.000 0.828 333 P CB 0.087 31.760 31.700 -0.044 0.000 0.783 334 Q N 0.138 119.858 119.800 -0.133 0.000 2.224 334 Q HA -0.088 4.252 4.340 -0.000 0.000 0.203 334 Q C 2.284 178.041 176.000 -0.404 0.000 0.970 334 Q CA 1.835 57.496 55.803 -0.236 0.000 0.865 334 Q CB -1.056 27.600 28.738 -0.137 0.000 0.922 334 Q HN 0.413 nan 8.270 nan 0.000 0.445 335 S N -1.348 114.232 115.700 -0.200 0.000 2.489 335 S HA 0.133 4.603 4.470 -0.000 0.000 0.228 335 S C 1.722 176.305 174.600 -0.028 0.000 0.995 335 S CA 0.405 58.550 58.200 -0.091 0.000 0.934 335 S CB -0.135 63.074 63.200 0.014 0.000 0.771 335 S HN 0.499 nan 8.310 nan 0.000 0.522 336 G N 0.171 108.924 108.800 -0.079 0.000 2.162 336 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.260 336 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.260 336 G C 0.012 174.949 174.900 0.062 0.000 0.976 336 G CA 0.261 45.392 45.100 0.051 0.000 0.655 336 G HN 0.943 nan 8.290 nan 0.000 0.533 337 V N 1.015 120.952 119.914 0.038 0.000 2.531 337 V HA 0.530 4.650 4.120 -0.000 0.000 0.301 337 V C -2.006 174.094 176.094 0.011 0.000 1.034 337 V CA -1.884 60.436 62.300 0.034 0.000 0.865 337 V CB 2.209 34.058 31.823 0.044 0.000 0.995 337 V HN 0.069 nan 8.190 nan 0.000 0.424 338 P HA 0.174 nan 4.420 nan 0.000 0.272 338 P C -0.231 177.060 177.300 -0.016 0.000 1.230 338 P CA -0.377 62.721 63.100 -0.005 0.000 0.788 338 P CB 0.467 32.166 31.700 -0.001 0.000 0.949 339 N N 1.444 120.134 118.700 -0.016 0.000 2.344 339 N HA -0.071 4.669 4.740 -0.000 0.000 0.236 339 N C 1.257 176.741 175.510 -0.043 0.000 1.279 339 N CA 0.063 53.099 53.050 -0.024 0.000 0.882 339 N CB 0.217 38.694 38.487 -0.016 0.000 1.110 339 N HN 0.459 nan 8.380 nan 0.000 0.436 340 Q N 1.372 121.135 119.800 -0.062 0.000 2.077 340 Q HA -0.228 4.112 4.340 -0.000 0.000 0.206 340 Q C 1.452 177.406 176.000 -0.077 0.000 0.989 340 Q CA 1.825 57.560 55.803 -0.113 0.000 0.853 340 Q CB -0.144 28.534 28.738 -0.100 0.000 0.907 340 Q HN 0.707 nan 8.270 nan 0.000 0.418 341 E N -0.720 119.461 120.200 -0.032 0.000 2.331 341 E HA -0.204 4.146 4.350 -0.000 0.000 0.199 341 E C 0.262 176.867 176.600 0.010 0.000 1.008 341 E CA 1.420 57.818 56.400 -0.004 0.000 0.843 341 E CB -0.108 29.593 29.700 0.002 0.000 0.761 341 E HN 0.455 nan 8.360 nan 0.000 0.507 342 D N 0.629 121.029 120.400 0.001 0.000 2.398 342 D HA 0.239 4.879 4.640 -0.000 0.000 0.210 342 D C 0.333 176.649 176.300 0.027 0.000 1.094 342 D CA -0.085 53.923 54.000 0.014 0.000 0.839 342 D CB 0.503 41.307 40.800 0.006 0.000 0.963 342 D HN 0.225 nan 8.370 nan 0.000 0.506 343 I N 2.775 123.356 120.570 0.019 0.000 2.325 343 I HA 0.255 4.425 4.170 -0.000 0.000 0.291 343 I C 0.509 176.764 176.117 0.229 0.000 1.019 343 I CA -0.344 60.993 61.300 0.062 0.000 1.302 343 I CB 0.637 38.592 38.000 -0.074 0.000 1.401 343 I HN -0.225 nan 8.210 nan 0.000 0.485 344 R N 5.845 126.489 120.500 0.240 0.000 2.764 344 R HA 0.629 4.969 4.340 -0.000 0.000 0.270 344 R C -1.802 174.488 176.300 -0.017 0.000 1.014 344 R CA -1.047 55.168 56.100 0.192 0.000 0.904 344 R CB 1.526 31.877 30.300 0.084 0.000 1.236 344 R HN 0.411 nan 8.270 nan 0.000 0.466 345 L N 1.632 122.653 121.223 -0.337 0.000 2.326 345 L HA 0.324 4.664 4.340 -0.000 0.000 0.278 345 L C -0.331 176.448 176.870 -0.151 0.000 1.092 345 L CA -0.572 54.042 54.840 -0.376 0.000 0.810 345 L CB 0.950 42.614 42.059 -0.658 0.000 1.153 345 L HN 0.675 nan 8.230 nan 0.000 0.439 346 N N 2.387 121.064 118.700 -0.039 0.000 2.576 346 N HA 0.511 5.251 4.740 -0.000 0.000 0.269 346 N C -0.120 175.561 175.510 0.285 0.000 1.058 346 N CA 0.606 53.715 53.050 0.099 0.000 0.860 346 N CB 1.341 39.891 38.487 0.105 0.000 1.249 346 N HN 0.816 nan 8.380 nan 0.000 0.525 347 G N 2.054 110.934 108.800 0.132 0.000 2.562 347 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.250 347 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.250 347 G C -1.206 173.541 174.900 -0.256 0.000 1.269 347 G CA -0.164 44.944 45.100 0.014 0.000 0.919 347 G HN 0.841 nan 8.290 nan 0.000 0.574 348 H N -0.566 118.340 119.070 -0.273 0.000 2.894 348 H HA 0.744 5.300 4.556 -0.000 0.000 0.367 348 H C 0.375 175.600 175.328 -0.173 0.000 1.144 348 H CA 0.408 56.344 56.048 -0.187 0.000 1.180 348 H CB 1.821 31.452 29.762 -0.219 0.000 1.758 348 H HN 1.287 nan 8.280 nan 0.000 0.541 349 A N 2.062 124.933 122.820 0.085 0.000 2.556 349 A HA 0.793 5.113 4.320 -0.000 0.000 0.294 349 A C -1.870 175.771 177.584 0.095 0.000 1.091 349 A CA -0.719 51.384 52.037 0.110 0.000 0.704 349 A CB 1.381 20.501 19.000 0.200 0.000 1.300 349 A HN 0.455 nan 8.150 nan 0.000 0.406 350 L N -1.617 119.662 121.223 0.094 0.000 2.415 350 L HA 0.795 5.135 4.340 -0.000 0.000 0.256 350 L C -0.624 176.289 176.870 0.070 0.000 1.010 350 L CA -0.851 54.049 54.840 0.100 0.000 0.826 350 L CB 1.064 43.214 42.059 0.152 0.000 1.405 350 L HN 0.900 nan 8.230 nan 0.000 0.410 351 Q N 0.503 120.335 119.800 0.053 0.000 2.356 351 Q HA 0.719 5.059 4.340 -0.000 0.000 0.270 351 Q C -1.904 174.096 176.000 0.001 0.000 1.058 351 Q CA -0.369 55.448 55.803 0.022 0.000 0.802 351 Q CB 2.449 31.192 28.738 0.008 0.000 1.303 351 Q HN 0.920 nan 8.270 nan 0.000 0.444 352 C N 3.129 122.418 119.300 -0.020 0.000 2.441 352 C HA 0.565 5.025 4.460 -0.000 0.000 0.318 352 C C -0.438 174.531 174.990 -0.035 0.000 1.222 352 C CA -0.673 58.317 59.018 -0.046 0.000 1.474 352 C CB 1.243 28.935 27.740 -0.081 0.000 2.125 352 C HN 0.824 nan 8.230 nan 0.000 0.479 353 R N 1.948 122.437 120.500 -0.018 0.000 2.207 353 R HA 0.556 4.896 4.340 -0.000 0.000 0.334 353 R C -0.864 175.435 176.300 -0.001 0.000 1.013 353 R CA -0.295 55.805 56.100 0.000 0.000 0.858 353 R CB 1.105 31.417 30.300 0.020 0.000 1.094 353 R HN 0.572 nan 8.270 nan 0.000 0.457 354 V N 3.558 123.455 119.914 -0.027 0.000 2.461 354 V HA 0.279 4.399 4.120 -0.000 0.000 0.275 354 V C 0.665 176.776 176.094 0.029 0.000 1.047 354 V CA -0.224 62.055 62.300 -0.035 0.000 0.955 354 V CB 1.164 32.896 31.823 -0.152 0.000 0.988 354 V HN 0.947 nan 8.190 nan 0.000 0.471 355 T N 0.010 114.597 114.554 0.055 0.000 2.864 355 T HA 0.347 4.697 4.350 -0.000 0.000 0.289 355 T C 0.701 175.444 174.700 0.072 0.000 1.082 355 T CA 0.122 62.266 62.100 0.074 0.000 1.009 355 T CB 1.797 70.720 68.868 0.092 0.000 1.234 355 T HN 0.655 nan 8.240 nan 0.000 0.526 356 T N -1.861 112.736 114.554 0.072 0.000 3.219 356 T HA 0.217 4.567 4.350 -0.000 0.000 0.249 356 T C 0.177 174.905 174.700 0.047 0.000 1.099 356 T CA -0.282 61.853 62.100 0.058 0.000 0.988 356 T CB -0.728 68.180 68.868 0.065 0.000 0.999 356 T HN 0.721 nan 8.240 nan 0.000 0.550 357 E N 2.487 122.729 120.200 0.070 0.000 2.328 357 E HA 0.129 4.479 4.350 -0.000 0.000 0.265 357 E C -0.617 175.921 176.600 -0.103 0.000 1.057 357 E CA -0.335 56.107 56.400 0.071 0.000 0.916 357 E CB 0.352 30.196 29.700 0.241 0.000 0.993 357 E HN 0.211 nan 8.360 nan 0.000 0.446 358 D N 4.765 125.051 120.400 -0.190 0.000 2.380 358 D HA 0.104 4.744 4.640 -0.000 0.000 0.230 358 D C -1.865 174.048 176.300 -0.646 0.000 1.154 358 D CA -2.616 51.217 54.000 -0.279 0.000 0.859 358 D CB 1.277 42.032 40.800 -0.075 0.000 1.045 358 D HN 0.130 nan 8.370 nan 0.000 0.495 359 P HA -0.052 nan 4.420 nan 0.000 0.228 359 P C 0.715 177.764 177.300 -0.419 0.000 1.151 359 P CA 0.715 63.175 63.100 -1.066 0.000 0.770 359 P CB 0.422 31.803 31.700 -0.532 0.000 0.786 360 E N -1.897 118.134 120.200 -0.282 0.000 2.447 360 E HA -0.031 4.319 4.350 -0.000 0.000 0.195 360 E C 0.484 176.884 176.600 -0.334 0.000 1.028 360 E CA 0.255 56.526 56.400 -0.216 0.000 0.876 360 E CB 0.169 29.785 29.700 -0.140 0.000 0.885 360 E HN 0.318 nan 8.360 nan 0.000 0.500 361 H N 0.282 119.245 119.070 -0.178 0.000 2.674 361 H HA 0.197 4.753 4.556 -0.000 0.000 0.235 361 H C -0.359 174.908 175.328 -0.102 0.000 1.330 361 H CA -0.196 55.782 56.048 -0.116 0.000 1.052 361 H CB 0.173 29.881 29.762 -0.091 0.000 1.954 361 H HN 0.123 nan 8.280 nan 0.000 0.566 362 N N 0.668 119.349 118.700 -0.033 0.000 2.714 362 N HA -0.230 4.510 4.740 -0.000 0.000 0.250 362 N C -0.048 175.584 175.510 0.202 0.000 1.117 362 N CA 1.106 54.200 53.050 0.074 0.000 0.719 362 N CB -1.676 36.835 38.487 0.039 0.000 1.081 362 N HN 0.542 nan 8.380 nan 0.000 0.557 363 F N -2.559 117.368 119.950 -0.037 0.000 2.988 363 F HA -0.264 4.263 4.527 -0.000 0.000 0.287 363 F C 0.774 176.563 175.800 -0.018 0.000 0.781 363 F CA 0.336 58.303 58.000 -0.054 0.000 1.221 363 F CB -1.827 37.102 39.000 -0.118 0.000 1.392 363 F HN 0.127 nan 8.300 nan 0.000 0.425 364 I N 2.654 123.278 120.570 0.089 0.000 2.668 364 I HA 0.065 4.235 4.170 -0.000 0.000 0.285 364 I C -1.705 174.445 176.117 0.055 0.000 1.168 364 I CA -1.330 60.010 61.300 0.066 0.000 1.424 364 I CB 0.212 38.240 38.000 0.047 0.000 1.377 364 I HN -0.258 nan 8.210 nan 0.000 0.560 365 P HA 0.041 nan 4.420 nan 0.000 0.268 365 P C -0.724 176.643 177.300 0.112 0.000 1.204 365 P CA -0.149 62.997 63.100 0.077 0.000 0.768 365 P CB 0.537 32.281 31.700 0.073 0.000 0.842 366 D N 1.678 122.131 120.400 0.088 0.000 2.383 366 D HA 0.355 4.995 4.640 -0.000 0.000 0.248 366 D C -0.720 175.699 176.300 0.198 0.000 1.170 366 D CA 0.031 54.078 54.000 0.078 0.000 0.977 366 D CB 0.443 41.227 40.800 -0.027 0.000 1.120 366 D HN 0.407 nan 8.370 nan 0.000 0.481 367 Y N -2.128 118.144 120.300 -0.047 0.000 2.689 367 Y HA 0.656 5.206 4.550 -0.000 0.000 0.333 367 Y C -0.094 175.783 175.900 -0.038 0.000 1.208 367 Y CA -0.703 57.371 58.100 -0.044 0.000 1.055 367 Y CB 1.001 39.420 38.460 -0.068 0.000 1.304 367 Y HN 0.687 nan 8.280 nan 0.000 0.455 368 G N 0.811 109.632 108.800 0.035 0.000 2.334 368 G HA2 0.112 4.072 3.960 -0.000 0.000 0.315 368 G HA3 0.112 4.072 3.960 -0.000 0.000 0.315 368 G C -1.940 172.955 174.900 -0.007 0.000 1.284 368 G CA -1.096 43.979 45.100 -0.040 0.000 0.985 368 G HN 0.870 nan 8.290 nan 0.000 0.504 369 R N -0.339 120.151 120.500 -0.017 0.000 2.389 369 R HA 0.513 4.853 4.340 -0.000 0.000 0.295 369 R C 0.317 176.604 176.300 -0.022 0.000 1.075 369 R CA -0.462 55.628 56.100 -0.017 0.000 1.005 369 R CB 0.204 30.503 30.300 -0.000 0.000 0.987 369 R HN 0.403 nan 8.270 nan 0.000 0.452 370 I N 4.315 124.860 120.570 -0.042 0.000 2.379 370 I HA -0.009 4.161 4.170 -0.000 0.000 0.290 370 I C 1.608 177.733 176.117 0.013 0.000 1.063 370 I CA 0.034 61.326 61.300 -0.015 0.000 1.351 370 I CB 1.577 39.548 38.000 -0.049 0.000 1.410 370 I HN 0.823 nan 8.210 nan 0.000 0.505 371 T N 2.247 116.825 114.554 0.041 0.000 3.054 371 T HA 0.337 4.687 4.350 -0.000 0.000 0.259 371 T C 0.528 175.280 174.700 0.086 0.000 1.092 371 T CA 0.141 62.276 62.100 0.058 0.000 1.121 371 T CB 0.301 69.198 68.868 0.049 0.000 0.912 371 T HN 0.616 nan 8.240 nan 0.000 0.489 372 A N 0.115 123.000 122.820 0.107 0.000 2.513 372 A HA 0.639 4.959 4.320 -0.000 0.000 0.296 372 A C -1.969 175.736 177.584 0.202 0.000 1.052 372 A CA -0.902 51.212 52.037 0.129 0.000 0.714 372 A CB 1.137 20.189 19.000 0.087 0.000 1.279 372 A HN 0.430 nan 8.150 nan 0.000 0.397 373 Y N 2.040 122.379 120.300 0.064 0.000 2.330 373 Y HA 0.668 5.218 4.550 -0.000 0.000 0.324 373 Y C -0.633 175.295 175.900 0.047 0.000 1.093 373 Y CA -0.324 57.824 58.100 0.080 0.000 1.103 373 Y CB 1.445 39.964 38.460 0.098 0.000 1.183 373 Y HN 0.714 nan 8.280 nan 0.000 0.433 374 R N 4.344 124.591 120.500 -0.422 0.000 2.502 374 R HA 0.430 4.770 4.340 -0.000 0.000 0.298 374 R C -0.624 175.188 176.300 -0.813 0.000 1.018 374 R CA -0.661 55.185 56.100 -0.422 0.000 0.899 374 R CB 1.923 32.094 30.300 -0.214 0.000 1.181 374 R HN 0.803 nan 8.270 nan 0.000 0.444 375 S N 1.407 116.551 115.700 -0.926 0.000 2.661 375 S HA 0.754 5.224 4.470 -0.000 0.000 0.265 375 S C 0.055 174.058 174.600 -0.995 0.000 1.225 375 S CA -0.755 56.542 58.200 -1.506 0.000 0.986 375 S CB 1.665 64.448 63.200 -0.694 0.000 1.008 375 S HN 0.639 nan 8.310 nan 0.000 0.565 376 A N 0.165 122.440 122.820 -0.908 0.000 2.398 376 A HA 0.770 5.090 4.320 -0.000 0.000 0.301 376 A C 0.023 177.546 177.584 -0.102 0.000 1.041 376 A CA -0.701 51.136 52.037 -0.334 0.000 0.711 376 A CB 1.645 20.532 19.000 -0.189 0.000 1.240 376 A HN 0.714 nan 8.150 nan 0.000 0.420 377 S N 0.120 115.798 115.700 -0.037 0.000 4.422 377 S HA 0.944 5.414 4.470 -0.000 0.000 0.210 377 S C 0.663 175.301 174.600 0.064 0.000 1.082 377 S CA 0.354 58.574 58.200 0.033 0.000 1.813 377 S CB 0.542 63.759 63.200 0.029 0.000 0.877 377 S HN 2.594 nan 8.310 nan 0.000 0.755 378 G N 1.063 109.913 108.800 0.084 0.000 2.610 378 G HA2 -0.065 3.895 3.960 -0.000 0.000 0.304 378 G HA3 -0.065 3.895 3.960 -0.000 0.000 0.304 378 G C -0.841 174.182 174.900 0.205 0.000 1.309 378 G CA -0.538 44.639 45.100 0.129 0.000 0.906 378 G HN 0.607 nan 8.290 nan 0.000 0.521 379 F N 2.238 122.230 119.950 0.070 0.000 2.543 379 F HA 0.458 4.985 4.527 -0.000 0.000 0.375 379 F C 1.632 177.519 175.800 0.146 0.000 1.075 379 F CA 0.929 58.988 58.000 0.097 0.000 1.225 379 F CB 0.576 39.638 39.000 0.102 0.000 1.099 379 F HN 2.239 nan 8.300 nan 0.000 0.561 380 G N 5.512 114.155 108.800 -0.261 0.000 2.176 380 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.253 380 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.253 380 G C -0.125 174.782 174.900 0.011 0.000 0.979 380 G CA 0.064 45.036 45.100 -0.214 0.000 0.641 380 G HN 0.558 nan 8.290 nan 0.000 0.530 381 I N 0.958 121.555 120.570 0.045 0.000 2.321 381 I HA 0.469 4.639 4.170 -0.000 0.000 0.291 381 I C 0.650 176.814 176.117 0.078 0.000 0.998 381 I CA -0.819 60.528 61.300 0.078 0.000 1.227 381 I CB 1.399 39.456 38.000 0.096 0.000 1.368 381 I HN 0.294 nan 8.210 nan 0.000 0.466 382 R N 7.184 127.731 120.500 0.079 0.000 2.514 382 R HA 0.710 5.050 4.340 -0.000 0.000 0.301 382 R C -1.680 174.677 176.300 0.095 0.000 0.962 382 R CA -0.611 55.532 56.100 0.072 0.000 0.882 382 R CB 1.442 31.770 30.300 0.048 0.000 1.143 382 R HN 0.570 nan 8.270 nan 0.000 0.452 383 L N 3.588 124.876 121.223 0.109 0.000 2.329 383 L HA 0.428 4.768 4.340 -0.000 0.000 0.279 383 L C -1.013 175.928 176.870 0.119 0.000 1.014 383 L CA -0.824 54.102 54.840 0.143 0.000 0.814 383 L CB 2.132 44.302 42.059 0.185 0.000 1.257 383 L HN 0.690 nan 8.230 nan 0.000 0.424 384 D N 2.561 123.031 120.400 0.116 0.000 2.420 384 D HA 0.517 5.157 4.640 -0.000 0.000 0.255 384 D C 0.270 176.644 176.300 0.123 0.000 1.185 384 D CA -0.080 53.983 54.000 0.105 0.000 0.904 384 D CB 1.933 42.782 40.800 0.081 0.000 1.102 384 D HN 0.652 nan 8.370 nan 0.000 0.534 385 G N 0.001 108.883 108.800 0.138 0.000 3.009 385 G HA2 0.518 4.478 3.960 -0.000 0.000 0.193 385 G HA3 0.518 4.478 3.960 -0.000 0.000 0.193 385 G C 0.818 175.790 174.900 0.119 0.000 1.636 385 G CA 0.055 45.241 45.100 0.144 0.000 0.832 385 G HN 0.753 nan 8.290 nan 0.000 0.795 386 G N -1.089 107.792 108.800 0.134 0.000 2.157 386 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.248 386 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.248 386 G C 1.161 176.141 174.900 0.132 0.000 0.979 386 G CA 1.860 47.037 45.100 0.129 0.000 0.650 386 G HN 1.771 nan 8.290 nan 0.000 0.529 387 T N -2.937 111.677 114.554 0.100 0.000 2.999 387 T HA 0.505 4.855 4.350 -0.000 0.000 0.247 387 T C 1.166 175.892 174.700 0.044 0.000 1.012 387 T CA 1.163 63.328 62.100 0.109 0.000 1.048 387 T CB 0.403 69.317 68.868 0.077 0.000 1.020 387 T HN 0.556 nan 8.240 nan 0.000 0.478 388 S N 1.842 117.436 115.700 -0.177 0.000 2.585 388 S HA 0.692 5.162 4.470 -0.000 0.000 0.277 388 S C -0.998 173.326 174.600 -0.459 0.000 1.241 388 S CA -0.793 57.102 58.200 -0.509 0.000 1.041 388 S CB 0.371 63.021 63.200 -0.916 0.000 0.987 388 S HN 0.712 nan 8.310 nan 0.000 0.512 389 Y N -1.923 118.181 120.300 -0.326 0.000 2.702 389 Y HA 0.580 5.130 4.550 -0.000 0.000 0.336 389 Y C -0.571 175.344 175.900 0.025 0.000 1.203 389 Y CA -1.518 56.530 58.100 -0.087 0.000 1.072 389 Y CB 0.158 38.603 38.460 -0.023 0.000 1.327 389 Y HN 0.572 nan 8.280 nan 0.000 0.456 390 S N 0.239 116.091 115.700 0.252 0.000 2.531 390 S HA 0.537 5.007 4.470 -0.000 0.000 0.279 390 S C 0.875 175.579 174.600 0.172 0.000 1.305 390 S CA 0.426 58.718 58.200 0.154 0.000 1.058 390 S CB 0.543 63.845 63.200 0.170 0.000 0.899 390 S HN 2.256 nan 8.310 nan 0.000 0.493 391 G N 1.889 110.714 108.800 0.042 0.000 2.376 391 G HA2 -0.034 3.926 3.960 -0.000 0.000 0.208 391 G HA3 -0.034 3.926 3.960 -0.000 0.000 0.208 391 G C 0.353 175.187 174.900 -0.110 0.000 1.032 391 G CA -0.165 44.974 45.100 0.065 0.000 0.641 391 G HN 1.666 nan 8.290 nan 0.000 0.503 392 A N 0.375 122.842 122.820 -0.588 0.000 2.531 392 A HA 0.627 4.947 4.320 -0.000 0.000 0.236 392 A C 0.707 178.146 177.584 -0.241 0.000 1.062 392 A CA 1.088 52.715 52.037 -0.682 0.000 0.760 392 A CB -0.212 18.102 19.000 -1.143 0.000 0.995 392 A HN 2.149 nan 8.150 nan 0.000 0.501 393 I N 3.024 123.533 120.570 -0.101 0.000 2.321 393 I HA 0.574 4.744 4.170 -0.000 0.000 0.291 393 I C -0.084 176.047 176.117 0.023 0.000 0.998 393 I CA -0.863 60.433 61.300 -0.007 0.000 1.227 393 I CB 0.480 38.513 38.000 0.055 0.000 1.368 393 I HN 0.532 nan 8.210 nan 0.000 0.466 394 I N 6.358 126.950 120.570 0.036 0.000 2.352 394 I HA 0.409 4.579 4.170 -0.000 0.000 0.290 394 I C 1.160 177.344 176.117 0.112 0.000 1.036 394 I CA -0.200 61.144 61.300 0.075 0.000 1.336 394 I CB 1.040 39.084 38.000 0.073 0.000 1.407 394 I HN 0.838 nan 8.210 nan 0.000 0.497 395 T N 2.379 116.980 114.554 0.079 0.000 2.897 395 T HA 0.566 4.916 4.350 -0.000 0.000 0.278 395 T C 0.942 175.514 174.700 -0.212 0.000 0.981 395 T CA -0.553 61.491 62.100 -0.093 0.000 0.973 395 T CB 1.185 70.013 68.868 -0.067 0.000 1.092 395 T HN 0.651 nan 8.240 nan 0.000 0.543 396 R N -0.604 119.554 120.500 -0.570 0.000 2.388 396 R HA 0.272 4.612 4.340 -0.000 0.000 0.247 396 R C 1.320 177.411 176.300 -0.348 0.000 0.931 396 R CA 0.067 55.889 56.100 -0.463 0.000 1.082 396 R CB -1.666 nan 30.300 nan 0.000 1.135 396 R HN 0.842 nan 8.270 nan 0.000 0.525 397 Y N -1.198 118.997 120.300 -0.174 0.000 2.373 397 Y HA 0.196 4.746 4.550 -0.000 0.000 0.293 397 Y C 0.306 175.868 175.900 -0.563 0.000 1.129 397 Y CA -0.021 57.834 58.100 -0.407 0.000 1.226 397 Y CB -0.139 37.979 38.460 -0.569 0.000 1.000 397 Y HN 0.365 nan 8.280 nan 0.000 0.549 398 Y N -0.646 119.742 120.300 0.147 0.000 2.693 398 Y HA 0.302 4.852 4.550 -0.000 0.000 0.331 398 Y C -0.207 175.726 175.900 0.055 0.000 1.092 398 Y CA -2.567 55.592 58.100 0.099 0.000 1.131 398 Y CB 0.193 38.713 38.460 0.100 0.000 1.318 398 Y HN -0.151 nan 8.280 nan 0.000 0.510 399 D N 1.705 122.245 120.400 0.233 0.000 2.443 399 D HA 0.038 4.678 4.640 -0.000 0.000 0.239 399 D C -2.170 174.205 176.300 0.125 0.000 1.136 399 D CA -1.628 52.455 54.000 0.139 0.000 0.879 399 D CB 0.718 41.592 40.800 0.123 0.000 1.195 399 D HN 0.272 nan 8.370 nan 0.000 0.443 400 P HA 0.126 nan 4.420 nan 0.000 0.236 400 P C -0.017 177.333 177.300 0.084 0.000 1.709 400 P CA -0.461 62.694 63.100 0.091 0.000 0.942 400 P CB 0.106 31.856 31.700 0.083 0.000 1.615 401 L N 1.063 122.337 121.223 0.084 0.000 2.455 401 L HA 0.102 4.442 4.340 -0.000 0.000 0.272 401 L C 1.329 178.241 176.870 0.069 0.000 1.174 401 L CA 0.011 54.897 54.840 0.076 0.000 0.869 401 L CB 0.922 43.030 42.059 0.082 0.000 1.130 401 L HN 0.083 nan 8.230 nan 0.000 0.474 402 L N 5.391 126.658 121.223 0.074 0.000 2.316 402 L HA 0.238 4.578 4.340 -0.000 0.000 0.207 402 L C 0.120 177.058 176.870 0.113 0.000 1.070 402 L CA 0.276 55.164 54.840 0.081 0.000 0.820 402 L CB 0.633 42.771 42.059 0.131 0.000 0.992 402 L HN 0.486 nan 8.230 nan 0.000 0.466 403 V N -0.151 119.835 119.914 0.120 0.000 3.088 403 V HA 0.240 4.360 4.120 -0.000 0.000 0.272 403 V C -1.756 174.387 176.094 0.082 0.000 1.611 403 V CA -0.890 61.502 62.300 0.153 0.000 0.990 403 V CB 2.333 34.348 31.823 0.319 0.000 1.234 403 V HN 0.075 nan 8.190 nan 0.000 0.453 404 K N 4.153 124.607 120.400 0.090 0.000 2.235 404 K HA 0.764 5.084 4.320 -0.000 0.000 0.266 404 K C -1.188 175.449 176.600 0.062 0.000 0.980 404 K CA -0.626 55.693 56.287 0.053 0.000 0.849 404 K CB 2.143 34.675 32.500 0.053 0.000 1.098 404 K HN 0.503 nan 8.250 nan 0.000 0.445 405 V N 2.559 122.489 119.914 0.026 0.000 2.459 405 V HA 0.331 4.451 4.120 -0.000 0.000 0.295 405 V C -0.229 175.889 176.094 0.041 0.000 1.029 405 V CA -0.640 61.691 62.300 0.053 0.000 0.874 405 V CB 1.773 33.602 31.823 0.011 0.000 0.985 405 V HN 0.756 nan 8.190 nan 0.000 0.438 406 T N 4.006 118.596 114.554 0.060 0.000 2.812 406 T HA 0.756 5.106 4.350 -0.000 0.000 0.282 406 T C -0.193 174.555 174.700 0.080 0.000 0.990 406 T CA -0.333 61.801 62.100 0.057 0.000 0.960 406 T CB 1.664 70.557 68.868 0.041 0.000 0.948 406 T HN 0.938 nan 8.240 nan 0.000 0.438 407 A N 2.713 125.583 122.820 0.084 0.000 2.350 407 A HA 0.799 5.119 4.320 -0.000 0.000 0.324 407 A C -1.663 175.998 177.584 0.127 0.000 1.118 407 A CA -0.828 51.262 52.037 0.089 0.000 0.783 407 A CB 1.186 20.217 19.000 0.051 0.000 1.236 407 A HN 0.889 nan 8.150 nan 0.000 0.457 408 W N 1.893 123.145 121.300 -0.081 0.000 2.819 408 W HA 0.701 5.361 4.660 -0.000 0.000 0.337 408 W C -0.388 176.051 176.519 -0.132 0.000 1.077 408 W CA 0.208 57.498 57.345 -0.091 0.000 1.226 408 W CB 1.898 31.284 29.460 -0.124 0.000 1.419 408 W HN 1.111 nan 8.180 nan 0.000 0.502 409 A N 5.256 127.340 122.820 -1.227 0.000 2.599 409 A HA 0.604 4.924 4.320 -0.000 0.000 0.290 409 A C -2.593 174.042 177.584 -1.583 0.000 1.101 409 A CA -1.194 49.978 52.037 -1.441 0.000 0.674 409 A CB 1.212 19.867 19.000 -0.573 0.000 1.277 409 A HN 0.397 nan 8.150 nan 0.000 0.419 410 P HA -0.042 nan 4.420 nan 0.000 0.219 410 P C -0.067 177.118 177.300 -0.192 0.000 1.146 410 P CA 1.325 64.158 63.100 -0.445 0.000 0.808 410 P CB 0.186 31.778 31.700 -0.180 0.000 0.779 411 N N -2.660 115.877 118.700 -0.272 0.000 2.357 411 N HA 0.178 4.918 4.740 -0.000 0.000 0.284 411 N C -2.211 173.047 175.510 -0.420 0.000 1.236 411 N CA -1.754 51.113 53.050 -0.306 0.000 0.774 411 N CB 1.768 40.121 38.487 -0.223 0.000 1.534 411 N HN -0.173 nan 8.380 nan 0.000 0.478 412 P HA -0.005 nan 4.420 nan 0.000 0.217 412 P C 1.483 178.649 177.300 -0.223 0.000 1.151 412 P CA 0.945 63.787 63.100 -0.429 0.000 0.828 412 P CB 0.644 32.042 31.700 -0.504 0.000 0.788 413 L N -0.025 121.078 121.223 -0.199 0.000 2.083 413 L HA -0.142 4.198 4.340 -0.000 0.000 0.209 413 L C 2.869 179.684 176.870 -0.092 0.000 1.083 413 L CA 1.577 56.350 54.840 -0.111 0.000 0.752 413 L CB -0.972 41.029 42.059 -0.096 0.000 0.899 413 L HN 0.046 nan 8.230 nan 0.000 0.433 414 E N 0.485 120.608 120.200 -0.129 0.000 2.106 414 E HA -0.230 4.120 4.350 -0.000 0.000 0.192 414 E C 2.229 178.758 176.600 -0.118 0.000 0.984 414 E CA 1.104 57.435 56.400 -0.116 0.000 0.806 414 E CB 0.041 29.658 29.700 -0.138 0.000 0.750 414 E HN 0.452 nan 8.360 nan 0.000 0.458 415 A N 1.092 123.818 122.820 -0.157 0.000 1.933 415 A HA -0.160 4.160 4.320 -0.000 0.000 0.218 415 A C 2.133 179.699 177.584 -0.031 0.000 1.175 415 A CA 1.201 53.166 52.037 -0.120 0.000 0.628 415 A CB -0.585 18.335 19.000 -0.133 0.000 0.814 415 A HN 0.325 nan 8.150 nan 0.000 0.444 416 I N 0.573 121.143 120.570 0.001 0.000 2.163 416 I HA -0.290 3.880 4.170 -0.000 0.000 0.243 416 I C 2.945 179.075 176.117 0.022 0.000 1.085 416 I CA 1.782 63.117 61.300 0.059 0.000 1.347 416 I CB -0.304 37.765 38.000 0.115 0.000 1.044 416 I HN 0.532 nan 8.210 nan 0.000 0.408 417 S N 0.783 116.484 115.700 0.000 0.000 2.419 417 S HA -0.247 4.223 4.470 -0.000 0.000 0.233 417 S C 2.123 176.725 174.600 0.005 0.000 1.016 417 S CA 1.205 59.405 58.200 0.000 0.000 0.974 417 S CB -0.437 62.758 63.200 -0.008 0.000 0.786 417 S HN 0.409 nan 8.310 nan 0.000 0.492 418 R N 0.010 120.508 120.500 -0.003 0.000 2.062 418 R HA 0.067 4.407 4.340 -0.000 0.000 0.229 418 R C 2.450 178.765 176.300 0.026 0.000 1.128 418 R CA 1.419 57.524 56.100 0.009 0.000 0.960 418 R CB -0.419 29.872 30.300 -0.014 0.000 0.855 418 R HN 0.468 nan 8.270 nan 0.000 0.432 419 M N 1.429 121.042 119.600 0.022 0.000 2.073 419 M HA -0.204 4.276 4.480 -0.000 0.000 0.258 419 M C 1.498 177.807 176.300 0.014 0.000 1.070 419 M CA 2.248 57.561 55.300 0.022 0.000 1.103 419 M CB -0.606 32.000 32.600 0.010 0.000 1.321 419 M HN 0.193 nan 8.290 nan 0.000 0.405 420 D N -0.667 119.735 120.400 0.003 0.000 2.104 420 D HA -0.228 4.412 4.640 -0.000 0.000 0.194 420 D C 2.144 178.456 176.300 0.019 0.000 0.994 420 D CA 1.513 55.511 54.000 -0.003 0.000 0.830 420 D CB -0.288 40.508 40.800 -0.007 0.000 0.959 420 D HN 0.266 nan 8.370 nan 0.000 0.452 421 R N 0.402 120.920 120.500 0.030 0.000 2.083 421 R HA -0.117 4.223 4.340 -0.000 0.000 0.237 421 R C 2.041 178.383 176.300 0.069 0.000 1.137 421 R CA 1.630 57.755 56.100 0.042 0.000 0.951 421 R CB -0.841 29.483 30.300 0.040 0.000 0.851 421 R HN 0.268 nan 8.270 nan 0.000 0.434 422 A N 1.237 124.111 122.820 0.091 0.000 1.873 422 A HA -0.079 4.241 4.320 -0.000 0.000 0.215 422 A C 2.512 180.253 177.584 0.260 0.000 1.186 422 A CA 1.168 53.304 52.037 0.165 0.000 0.616 422 A CB -0.547 18.562 19.000 0.183 0.000 0.823 422 A HN 0.338 nan 8.150 nan 0.000 0.442 423 L N -1.144 120.159 121.223 0.134 0.000 2.083 423 L HA -0.177 4.163 4.340 -0.000 0.000 0.209 423 L C 2.763 179.693 176.870 0.099 0.000 1.083 423 L CA 1.464 56.340 54.840 0.060 0.000 0.752 423 L CB -0.475 41.557 42.059 -0.045 0.000 0.899 423 L HN 0.351 nan 8.230 nan 0.000 0.433 424 R N -0.356 120.190 120.500 0.077 0.000 2.235 424 R HA -0.139 4.201 4.340 -0.000 0.000 0.213 424 R C 2.030 178.379 176.300 0.081 0.000 1.059 424 R CA 0.759 56.897 56.100 0.062 0.000 0.997 424 R CB -0.019 30.301 30.300 0.034 0.000 0.884 424 R HN 0.415 nan 8.270 nan 0.000 0.462 425 E N -0.038 120.227 120.200 0.108 0.000 2.276 425 E HA 0.001 4.351 4.350 -0.000 0.000 0.193 425 E C -0.343 176.284 176.600 0.046 0.000 0.983 425 E CA -0.213 56.222 56.400 0.058 0.000 0.861 425 E CB 0.222 29.940 29.700 0.029 0.000 0.817 425 E HN -0.007 nan 8.360 nan 0.000 0.485 426 F N 1.897 121.813 119.950 -0.057 0.000 2.642 426 F HA -0.017 4.510 4.527 -0.000 0.000 0.371 426 F C 0.702 176.449 175.800 -0.089 0.000 1.120 426 F CA 0.781 58.720 58.000 -0.101 0.000 1.331 426 F CB 0.495 39.439 39.000 -0.093 0.000 1.044 426 F HN -0.106 nan 8.300 nan 0.000 0.594 427 R N 5.053 125.559 120.500 0.010 0.000 2.451 427 R HA 0.533 4.873 4.340 -0.000 0.000 0.307 427 R C -1.246 175.075 176.300 0.034 0.000 0.965 427 R CA -0.620 55.494 56.100 0.023 0.000 0.865 427 R CB 1.543 31.833 30.300 -0.018 0.000 1.174 427 R HN 0.600 nan 8.270 nan 0.000 0.455 428 I N 3.454 124.084 120.570 0.099 0.000 2.478 428 I HA 0.483 4.653 4.170 -0.000 0.000 0.287 428 I C -0.045 176.137 176.117 0.108 0.000 1.042 428 I CA -0.683 60.708 61.300 0.153 0.000 1.067 428 I CB 2.066 40.201 38.000 0.224 0.000 1.233 428 I HN 0.251 nan 8.210 nan 0.000 0.431 429 R N 3.249 123.811 120.500 0.103 0.000 2.807 429 R HA 0.742 5.082 4.340 -0.000 0.000 0.276 429 R C 0.559 176.892 176.300 0.054 0.000 0.979 429 R CA -0.413 55.726 56.100 0.065 0.000 0.928 429 R CB 2.076 32.409 30.300 0.054 0.000 1.191 429 R HN 0.885 nan 8.270 nan 0.000 0.471 430 G N 0.211 109.027 108.800 0.026 0.000 2.345 430 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.218 430 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.218 430 G C -0.146 174.744 174.900 -0.016 0.000 1.058 430 G CA 0.089 45.192 45.100 0.005 0.000 0.632 430 G HN 0.674 nan 8.290 nan 0.000 0.508 431 V N -0.992 118.923 119.914 0.002 0.000 2.715 431 V HA 0.959 5.079 4.120 -0.000 0.000 0.310 431 V C 0.578 176.673 176.094 0.002 0.000 1.054 431 V CA -0.350 61.943 62.300 -0.012 0.000 0.928 431 V CB 1.362 33.188 31.823 0.006 0.000 1.007 431 V HN 1.942 nan 8.190 nan 0.000 0.437 432 A N 3.121 125.932 122.820 -0.015 0.000 2.448 432 A HA 0.683 5.003 4.320 -0.000 0.000 0.239 432 A C 0.650 178.238 177.584 0.007 0.000 1.080 432 A CA 0.612 52.644 52.037 -0.008 0.000 0.779 432 A CB 0.049 19.035 19.000 -0.024 0.000 1.026 432 A HN 1.940 nan 8.150 nan 0.000 0.499 433 T N -1.646 112.911 114.554 0.005 0.000 2.865 433 T HA 0.461 4.811 4.350 -0.000 0.000 0.294 433 T C 0.255 174.959 174.700 0.006 0.000 1.119 433 T CA -0.296 61.815 62.100 0.019 0.000 1.007 433 T CB 1.213 70.101 68.868 0.033 0.000 1.225 433 T HN 0.716 nan 8.240 nan 0.000 0.515 434 N N 0.702 119.431 118.700 0.050 0.000 2.370 434 N HA 0.081 4.821 4.740 -0.000 0.000 0.198 434 N C 1.413 177.000 175.510 0.128 0.000 1.156 434 N CA -0.100 53.024 53.050 0.123 0.000 0.839 434 N CB -0.717 37.924 38.487 0.256 0.000 0.989 434 N HN 0.677 nan 8.380 nan 0.000 0.468 435 L N 0.602 121.851 121.223 0.044 0.000 2.043 435 L HA -0.216 4.124 4.340 -0.000 0.000 0.212 435 L C 2.499 179.381 176.870 0.020 0.000 1.075 435 L CA 2.078 56.920 54.840 0.005 0.000 0.752 435 L CB -0.945 41.102 42.059 -0.020 0.000 0.891 435 L HN 0.389 nan 8.230 nan 0.000 0.432 436 T N -3.153 111.428 114.554 0.044 0.000 2.867 436 T HA -0.234 4.115 4.350 -0.000 0.000 0.268 436 T C 1.660 176.401 174.700 0.068 0.000 1.057 436 T CA 1.000 63.123 62.100 0.039 0.000 1.136 436 T CB -0.601 68.289 68.868 0.037 0.000 0.874 436 T HN 0.264 nan 8.240 nan 0.000 0.466 437 F N 1.956 121.888 119.950 -0.030 0.000 2.163 437 F HA 0.246 4.773 4.527 -0.000 0.000 0.297 437 F C 1.915 177.659 175.800 -0.093 0.000 1.094 437 F CA 0.544 58.525 58.000 -0.032 0.000 1.290 437 F CB -0.399 38.693 39.000 0.154 0.000 1.017 437 F HN 0.053 nan 8.300 nan 0.000 0.483 438 L N 0.203 121.350 121.223 -0.125 0.000 2.012 438 L HA -0.231 4.109 4.340 -0.000 0.000 0.210 438 L C 2.377 179.080 176.870 -0.278 0.000 1.073 438 L CA 1.880 56.564 54.840 -0.259 0.000 0.748 438 L CB -0.930 41.054 42.059 -0.125 0.000 0.891 438 L HN 0.137 nan 8.230 nan 0.000 0.431 439 E N 0.170 120.270 120.200 -0.167 0.000 2.097 439 E HA -0.275 4.075 4.350 -0.000 0.000 0.196 439 E C 2.287 178.788 176.600 -0.166 0.000 1.000 439 E CA 1.412 57.730 56.400 -0.137 0.000 0.804 439 E CB -0.251 29.408 29.700 -0.068 0.000 0.740 439 E HN 0.524 nan 8.360 nan 0.000 0.454 440 A N 0.904 123.609 122.820 -0.192 0.000 1.902 440 A HA -0.186 4.134 4.320 -0.000 0.000 0.217 440 A C 2.189 179.635 177.584 -0.230 0.000 1.181 440 A CA 1.197 53.126 52.037 -0.181 0.000 0.623 440 A CB -0.604 18.283 19.000 -0.189 0.000 0.818 440 A HN 0.155 nan 8.150 nan 0.000 0.443 441 I N 0.399 120.702 120.570 -0.444 0.000 2.127 441 I HA -0.268 3.902 4.170 -0.000 0.000 0.241 441 I C 2.465 178.313 176.117 -0.448 0.000 1.075 441 I CA 1.970 62.997 61.300 -0.455 0.000 1.334 441 I CB -0.395 37.198 38.000 -0.679 0.000 1.040 441 I HN 0.576 nan 8.210 nan 0.000 0.405 442 I N -1.415 118.811 120.570 -0.574 0.000 2.928 442 I HA 0.048 4.217 4.170 -0.000 0.000 0.266 442 I C 2.081 178.150 176.117 -0.080 0.000 1.234 442 I CA 1.262 62.208 61.300 -0.590 0.000 1.483 442 I CB -0.807 36.922 38.000 -0.451 0.000 1.097 442 I HN 0.099 nan 8.210 nan 0.000 0.455 443 G N 0.003 108.767 108.800 -0.060 0.000 2.920 443 G HA2 -0.096 3.864 3.960 -0.000 0.000 0.208 443 G HA3 -0.096 3.864 3.960 -0.000 0.000 0.208 443 G C 0.329 175.281 174.900 0.086 0.000 1.159 443 G CA -0.091 45.020 45.100 0.018 0.000 0.784 443 G HN 0.541 nan 8.290 nan 0.000 0.535 444 H N 0.371 119.481 119.070 0.067 0.000 2.548 444 H HA 0.325 4.881 4.556 -0.000 0.000 0.331 444 H C -1.315 174.111 175.328 0.163 0.000 1.093 444 H CA -1.509 54.624 56.048 0.142 0.000 1.367 444 H CB 2.120 32.046 29.762 0.273 0.000 1.455 444 H HN -0.131 nan 8.280 nan 0.000 0.519 445 P HA -0.204 nan 4.420 nan 0.000 0.216 445 P C 0.798 178.183 177.300 0.141 0.000 1.150 445 P CA 1.759 64.849 63.100 -0.016 0.000 0.843 445 P CB 0.250 31.868 31.700 -0.136 0.000 0.787 446 K N -2.065 118.568 120.400 0.388 0.000 2.148 446 K HA -0.107 4.213 4.320 -0.000 0.000 0.204 446 K C 2.004 178.680 176.600 0.126 0.000 1.050 446 K CA 1.026 57.431 56.287 0.196 0.000 0.942 446 K CB -0.599 31.973 32.500 0.119 0.000 0.724 446 K HN 0.164 nan 8.250 nan 0.000 0.446 447 F N 2.190 122.169 119.950 0.049 0.000 2.163 447 F HA -0.089 4.438 4.527 -0.000 0.000 0.297 447 F C 2.141 178.016 175.800 0.126 0.000 1.094 447 F CA 1.226 59.268 58.000 0.070 0.000 1.290 447 F CB 0.103 39.082 39.000 -0.034 0.000 1.017 447 F HN -0.165 nan 8.300 nan 0.000 0.483 448 R N -0.019 120.580 120.500 0.166 0.000 2.115 448 R HA -0.131 4.209 4.340 -0.000 0.000 0.230 448 R C 1.169 177.435 176.300 -0.058 0.000 1.111 448 R CA 1.487 57.610 56.100 0.039 0.000 0.976 448 R CB -0.558 29.782 30.300 0.067 0.000 0.870 448 R HN 0.413 nan 8.270 nan 0.000 0.445 449 D N -0.797 119.574 120.400 -0.048 0.000 2.402 449 D HA -0.024 4.616 4.640 -0.000 0.000 0.216 449 D C -0.356 175.858 176.300 -0.143 0.000 1.128 449 D CA -0.239 53.711 54.000 -0.083 0.000 0.833 449 D CB -0.126 40.641 40.800 -0.055 0.000 0.971 449 D HN -0.033 nan 8.370 nan 0.000 0.503 450 N N 0.098 118.677 118.700 -0.202 0.000 2.741 450 N HA -0.196 4.544 4.740 -0.000 0.000 0.250 450 N C 0.532 175.680 175.510 -0.604 0.000 1.115 450 N CA 1.138 53.941 53.050 -0.411 0.000 0.724 450 N CB -2.158 36.220 38.487 -0.181 0.000 1.090 450 N HN 0.503 nan 8.380 nan 0.000 0.558 451 S N -1.768 113.652 115.700 -0.468 0.000 2.556 451 S HA 0.074 4.544 4.470 -0.000 0.000 0.216 451 S C 0.603 174.976 174.600 -0.377 0.000 0.970 451 S CA -0.671 57.312 58.200 -0.361 0.000 0.912 451 S CB -0.167 62.934 63.200 -0.164 0.000 0.790 451 S HN 0.400 nan 8.310 nan 0.000 0.504 452 Y N 2.206 122.339 120.300 -0.278 0.000 2.314 452 Y HA 0.651 5.201 4.550 -0.000 0.000 0.334 452 Y C 0.596 176.405 175.900 -0.152 0.000 1.266 452 Y CA -0.643 57.271 58.100 -0.311 0.000 1.391 452 Y CB -0.242 37.819 38.460 -0.665 0.000 1.306 452 Y HN 0.160 nan 8.280 nan 0.000 0.558 453 T N -3.226 111.433 114.554 0.174 0.000 2.841 453 T HA 0.281 4.631 4.350 -0.000 0.000 0.276 453 T C 0.999 175.848 174.700 0.249 0.000 1.003 453 T CA -0.258 61.929 62.100 0.144 0.000 0.995 453 T CB 0.890 69.802 68.868 0.074 0.000 1.260 453 T HN 0.843 nan 8.240 nan 0.000 0.581 454 T N -1.339 113.325 114.554 0.183 0.000 3.025 454 T HA -0.045 4.305 4.350 -0.000 0.000 0.270 454 T C 1.406 176.195 174.700 0.147 0.000 1.126 454 T CA 0.543 62.744 62.100 0.167 0.000 1.105 454 T CB -0.417 68.531 68.868 0.134 0.000 0.884 454 T HN 0.622 nan 8.240 nan 0.000 0.522 455 R N -0.901 119.691 120.500 0.154 0.000 2.334 455 R HA 0.268 4.608 4.340 -0.000 0.000 0.216 455 R C 1.538 177.937 176.300 0.164 0.000 0.905 455 R CA -0.151 56.024 56.100 0.125 0.000 1.064 455 R CB -0.328 30.027 30.300 0.092 0.000 1.046 455 R HN 0.419 nan 8.270 nan 0.000 0.508 456 F N 2.221 122.207 119.950 0.059 0.000 2.043 456 F HA -0.224 4.303 4.527 -0.000 0.000 0.297 456 F C 1.863 177.669 175.800 0.009 0.000 1.121 456 F CA 1.485 59.507 58.000 0.038 0.000 1.199 456 F CB -0.340 38.700 39.000 0.066 0.000 0.968 456 F HN -0.163 nan 8.300 nan 0.000 0.478 457 I N 0.285 120.709 120.570 -0.244 0.000 2.179 457 I HA -0.291 3.879 4.170 -0.000 0.000 0.242 457 I C 1.894 177.991 176.117 -0.033 0.000 1.088 457 I CA 1.710 62.823 61.300 -0.313 0.000 1.357 457 I CB -0.675 37.279 38.000 -0.077 0.000 1.051 457 I HN 0.123 nan 8.210 nan 0.000 0.409 458 D N 0.161 120.570 120.400 0.016 0.000 2.264 458 D HA -0.101 4.539 4.640 -0.000 0.000 0.208 458 D C 1.778 178.090 176.300 0.019 0.000 0.966 458 D CA 1.523 55.541 54.000 0.029 0.000 0.864 458 D CB -0.072 40.734 40.800 0.009 0.000 0.933 458 D HN 0.403 nan 8.370 nan 0.000 0.499 459 T N -3.070 111.489 114.554 0.008 0.000 3.174 459 T HA 0.199 4.549 4.350 -0.000 0.000 0.269 459 T C 0.302 175.004 174.700 0.003 0.000 1.017 459 T CA -0.428 61.682 62.100 0.017 0.000 0.899 459 T CB 0.170 69.063 68.868 0.041 0.000 1.077 459 T HN -0.260 nan 8.240 nan 0.000 0.552 460 T N 3.839 118.368 114.554 -0.042 0.000 3.150 460 T HA 0.378 4.728 4.350 -0.000 0.000 0.383 460 T C -2.277 172.462 174.700 0.065 0.000 1.313 460 T CA -1.089 60.952 62.100 -0.098 0.000 1.235 460 T CB 1.698 70.261 68.868 -0.507 0.000 1.088 460 T HN -0.027 nan 8.240 nan 0.000 0.556 461 P HA -0.076 nan 4.420 nan 0.000 0.219 461 P C 1.700 179.143 177.300 0.238 0.000 1.150 461 P CA 0.682 63.944 63.100 0.270 0.000 0.814 461 P CB 0.142 31.925 31.700 0.137 0.000 0.787 462 E N 0.407 120.687 120.200 0.134 0.000 2.267 462 E HA -0.172 4.178 4.350 -0.000 0.000 0.197 462 E C 1.885 178.520 176.600 0.059 0.000 0.998 462 E CA 0.926 57.392 56.400 0.109 0.000 0.830 462 E CB -2.047 27.727 29.700 0.122 0.000 0.751 462 E HN 0.308 nan 8.360 nan 0.000 0.491 463 L N -1.426 119.763 121.223 -0.056 0.000 2.265 463 L HA 0.092 4.432 4.340 -0.000 0.000 0.215 463 L C 2.068 178.801 176.870 -0.228 0.000 1.117 463 L CA 1.308 55.987 54.840 -0.268 0.000 0.782 463 L CB -0.430 41.259 42.059 -0.616 0.000 0.914 463 L HN 0.248 nan 8.230 nan 0.000 0.441 464 F N -0.370 119.676 119.950 0.161 0.000 2.727 464 F HA 0.110 4.637 4.527 -0.000 0.000 0.302 464 F C 1.822 177.681 175.800 0.098 0.000 1.097 464 F CA -0.279 57.826 58.000 0.175 0.000 1.330 464 F CB -0.478 38.596 39.000 0.124 0.000 1.084 464 F HN 0.028 nan 8.300 nan 0.000 0.578 465 Q N 1.796 121.703 119.800 0.178 0.000 2.263 465 Q HA 0.084 4.424 4.340 -0.000 0.000 0.289 465 Q C 0.367 176.415 176.000 0.080 0.000 1.061 465 Q CA -0.054 55.815 55.803 0.110 0.000 0.927 465 Q CB -0.284 28.499 28.738 0.075 0.000 1.154 465 Q HN 0.293 nan 8.270 nan 0.000 0.378 466 Q N 1.558 121.390 119.800 0.054 0.000 2.361 466 Q HA 0.120 4.460 4.340 -0.000 0.000 0.276 466 Q C 0.969 176.978 176.000 0.015 0.000 1.022 466 Q CA 0.041 55.858 55.803 0.022 0.000 0.898 466 Q CB 1.379 30.116 28.738 -0.002 0.000 1.246 466 Q HN 0.634 nan 8.270 nan 0.000 0.410 467 V N 1.693 121.611 119.914 0.007 0.000 2.426 467 V HA -0.058 4.062 4.120 -0.000 0.000 0.242 467 V C 0.528 176.621 176.094 -0.002 0.000 1.036 467 V CA 1.792 64.095 62.300 0.005 0.000 1.044 467 V CB -0.723 31.104 31.823 0.007 0.000 0.688 467 V HN 1.016 nan 8.190 nan 0.000 0.462 468 K N 1.656 122.051 120.400 -0.008 0.000 6.236 468 K HA -0.239 4.081 4.320 -0.000 0.000 0.607 468 K C 0.009 176.604 176.600 -0.008 0.000 1.570 468 K CA 1.064 57.345 56.287 -0.011 0.000 1.551 468 K CB -2.269 30.223 32.500 -0.013 0.000 1.812 468 K HN 0.663 nan 8.250 nan 0.000 0.338 469 R N 1.639 122.134 120.500 -0.008 0.000 2.490 469 R HA 0.243 4.583 4.340 -0.000 0.000 0.278 469 R C 1.707 178.003 176.300 -0.007 0.000 1.069 469 R CA -0.275 55.822 56.100 -0.005 0.000 1.080 469 R CB 0.721 31.019 30.300 -0.004 0.000 1.030 469 R HN 0.779 nan 8.270 nan 0.000 0.491 470 Q N 0.951 120.749 119.800 -0.003 0.000 2.046 470 Q HA -0.195 4.145 4.340 -0.000 0.000 0.200 470 Q C 0.071 176.068 176.000 -0.005 0.000 0.975 470 Q CA 1.281 57.082 55.803 -0.003 0.000 0.836 470 Q CB -0.063 28.677 28.738 0.003 0.000 0.896 470 Q HN 0.690 nan 8.270 nan 0.000 0.428 471 D N -0.928 119.470 120.400 -0.003 0.000 2.772 471 D HA -0.197 4.443 4.640 -0.000 0.000 0.233 471 D C 0.428 176.726 176.300 -0.003 0.000 1.143 471 D CA 0.634 54.631 54.000 -0.005 0.000 0.700 471 D CB -0.623 40.172 40.800 -0.008 0.000 1.076 471 D HN 0.235 nan 8.370 nan 0.000 0.430 472 R N -0.007 120.493 120.500 0.001 0.000 2.091 472 R HA -0.066 4.274 4.340 -0.000 0.000 0.238 472 R C 2.452 178.755 176.300 0.005 0.000 1.136 472 R CA 1.824 57.928 56.100 0.008 0.000 0.959 472 R CB -0.264 30.044 30.300 0.013 0.000 0.856 472 R HN 0.354 nan 8.270 nan 0.000 0.437 473 A N 0.195 123.010 122.820 -0.007 0.000 1.898 473 A HA -0.125 4.195 4.320 -0.000 0.000 0.216 473 A C 2.159 179.719 177.584 -0.040 0.000 1.181 473 A CA 1.778 53.799 52.037 -0.026 0.000 0.620 473 A CB -0.735 18.246 19.000 -0.033 0.000 0.819 473 A HN 0.262 nan 8.150 nan 0.000 0.442 474 T N 0.201 114.740 114.554 -0.025 0.000 2.720 474 T HA -0.147 4.203 4.350 -0.000 0.000 0.268 474 T C 1.898 176.599 174.700 0.001 0.000 1.037 474 T CA 1.803 63.890 62.100 -0.021 0.000 1.144 474 T CB -0.213 68.649 68.868 -0.009 0.000 0.864 474 T HN 0.554 nan 8.240 nan 0.000 0.444 475 K N 0.668 121.078 120.400 0.017 0.000 2.057 475 K HA 0.056 4.376 4.320 -0.000 0.000 0.207 475 K C 2.262 178.945 176.600 0.139 0.000 1.049 475 K CA 0.933 57.256 56.287 0.061 0.000 0.931 475 K CB -0.320 32.204 32.500 0.040 0.000 0.714 475 K HN 0.295 nan 8.250 nan 0.000 0.440 476 L N 0.936 122.210 121.223 0.083 0.000 2.083 476 L HA -0.176 4.164 4.340 -0.000 0.000 0.209 476 L C 2.313 179.214 176.870 0.051 0.000 1.083 476 L CA 1.018 55.918 54.840 0.099 0.000 0.752 476 L CB -0.392 41.686 42.059 0.032 0.000 0.899 476 L HN 0.200 nan 8.230 nan 0.000 0.433 477 L N -0.924 120.238 121.223 -0.102 0.000 2.093 477 L HA -0.181 4.159 4.340 -0.000 0.000 0.208 477 L C 2.595 179.461 176.870 -0.007 0.000 1.085 477 L CA 1.343 55.980 54.840 -0.340 0.000 0.755 477 L CB -0.874 40.901 42.059 -0.473 0.000 0.904 477 L HN 0.279 nan 8.230 nan 0.000 0.435 478 T N -1.124 113.496 114.554 0.110 0.000 2.746 478 T HA -0.261 4.089 4.350 -0.000 0.000 0.267 478 T C 1.685 176.564 174.700 0.298 0.000 1.039 478 T CA 1.498 63.724 62.100 0.209 0.000 1.142 478 T CB -0.396 68.576 68.868 0.175 0.000 0.866 478 T HN 0.304 nan 8.240 nan 0.000 0.444 479 Y N 1.804 122.266 120.300 0.271 0.000 2.097 479 Y HA -0.134 4.416 4.550 -0.000 0.000 0.282 479 Y C 2.043 177.946 175.900 0.005 0.000 1.152 479 Y CA 1.265 59.399 58.100 0.057 0.000 1.136 479 Y CB -0.554 37.902 38.460 -0.007 0.000 0.975 479 Y HN 0.110 nan 8.280 nan 0.000 0.498 480 L N -0.341 120.939 121.223 0.096 0.000 2.046 480 L HA -0.238 4.102 4.340 -0.000 0.000 0.208 480 L C 2.796 179.743 176.870 0.129 0.000 1.077 480 L CA 1.179 56.079 54.840 0.100 0.000 0.747 480 L CB -1.029 41.159 42.059 0.216 0.000 0.896 480 L HN 0.355 nan 8.230 nan 0.000 0.432 481 A N -0.009 122.975 122.820 0.273 0.000 1.877 481 A HA -0.303 4.017 4.320 -0.000 0.000 0.216 481 A C 1.983 179.566 177.584 -0.001 0.000 1.186 481 A CA 2.211 54.355 52.037 0.178 0.000 0.620 481 A CB -0.755 18.387 19.000 0.237 0.000 0.822 481 A HN 0.429 nan 8.150 nan 0.000 0.443 482 D N -0.986 119.375 120.400 -0.065 0.000 2.123 482 D HA -0.136 4.504 4.640 -0.000 0.000 0.196 482 D C 1.770 177.920 176.300 -0.250 0.000 0.992 482 D CA 1.520 55.435 54.000 -0.141 0.000 0.833 482 D CB -0.104 40.609 40.800 -0.145 0.000 0.954 482 D HN 0.129 nan 8.370 nan 0.000 0.455 483 V N -0.546 119.110 119.914 -0.430 0.000 2.488 483 V HA -0.141 3.979 4.120 -0.000 0.000 0.246 483 V C 2.076 178.076 176.094 -0.156 0.000 1.046 483 V CA 2.140 64.213 62.300 -0.379 0.000 1.053 483 V CB -0.488 30.979 31.823 -0.594 0.000 0.679 483 V HN 0.276 nan 8.190 nan 0.000 0.458 484 T N -0.082 114.414 114.554 -0.096 0.000 2.746 484 T HA -0.182 4.168 4.350 -0.000 0.000 0.267 484 T C 1.808 176.495 174.700 -0.023 0.000 1.039 484 T CA 2.047 64.135 62.100 -0.020 0.000 1.142 484 T CB -0.211 68.661 68.868 0.008 0.000 0.866 484 T HN 0.499 nan 8.240 nan 0.000 0.444 485 V N 0.826 120.717 119.914 -0.038 0.000 2.725 485 V HA 0.096 4.216 4.120 -0.000 0.000 0.247 485 V C 1.202 177.273 176.094 -0.037 0.000 1.058 485 V CA 1.535 63.822 62.300 -0.022 0.000 1.080 485 V CB -0.416 31.404 31.823 -0.005 0.000 0.713 485 V HN 0.427 nan 8.190 nan 0.000 0.465 486 N N 0.239 118.900 118.700 -0.066 0.000 2.197 486 N HA 0.488 5.228 4.740 -0.000 0.000 0.201 486 N C 0.662 176.126 175.510 -0.077 0.000 1.148 486 N CA 0.585 53.589 53.050 -0.077 0.000 0.883 486 N CB 1.061 39.502 38.487 -0.077 0.000 1.012 486 N HN 0.806 nan 8.380 nan 0.000 0.507 487 G N 0.711 109.467 108.800 -0.073 0.000 2.814 487 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.677 487 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.677 487 G C -1.293 173.568 174.900 -0.065 0.000 1.429 487 G CA -0.692 44.384 45.100 -0.040 0.000 0.868 487 G HN 0.348 nan 8.290 nan 0.000 0.553 488 H N 2.772 121.776 119.070 -0.110 0.000 2.489 488 H HA 0.420 4.976 4.556 -0.000 0.000 0.322 488 H C -0.885 174.444 175.328 0.001 0.000 1.091 488 H CA -1.339 54.663 56.048 -0.077 0.000 1.291 488 H CB 1.917 31.642 29.762 -0.062 0.000 1.436 488 H HN 0.281 nan 8.280 nan 0.000 0.480 489 P HA -0.125 nan 4.420 nan 0.000 0.219 489 P C 0.704 178.121 177.300 0.195 0.000 1.146 489 P CA 0.961 64.085 63.100 0.039 0.000 0.808 489 P CB 0.598 32.296 31.700 -0.003 0.000 0.779 490 E N -0.676 119.817 120.200 0.488 0.000 2.385 490 E HA 0.112 4.462 4.350 -0.000 0.000 0.194 490 E C 1.818 178.524 176.600 0.177 0.000 1.013 490 E CA 0.571 57.218 56.400 0.412 0.000 0.866 490 E CB -0.084 29.966 29.700 0.583 0.000 0.832 490 E HN 0.263 nan 8.360 nan 0.000 0.500 491 A N 1.120 124.003 122.820 0.104 0.000 2.140 491 A HA 0.226 4.546 4.320 -0.000 0.000 0.209 491 A C 1.780 179.348 177.584 -0.027 0.000 1.181 491 A CA 1.240 53.190 52.037 -0.146 0.000 0.824 491 A CB -0.116 18.685 19.000 -0.332 0.000 0.879 491 A HN 0.152 nan 8.150 nan 0.000 0.480 492 K N -0.641 119.779 120.400 0.033 0.000 1.809 492 K HA -0.352 3.968 4.320 -0.000 0.000 0.120 492 K C 0.771 177.372 176.600 0.002 0.000 0.992 492 K CA 3.240 59.538 56.287 0.019 0.000 0.392 492 K CB -2.197 nan 32.500 nan 0.000 0.626 492 K HN 1.624 nan 8.250 nan 0.000 0.910 493 D N 1.368 121.756 120.400 -0.020 0.000 3.018 493 D HA 0.523 5.163 4.640 -0.000 0.000 0.331 493 D C 0.313 176.578 176.300 -0.058 0.000 1.334 493 D CA 0.093 54.075 54.000 -0.031 0.000 0.900 493 D CB -0.115 nan 40.800 nan 0.000 1.059 493 D HN 0.499 nan 8.370 nan 0.000 0.498 494 R N 0.156 120.604 120.500 -0.086 0.000 2.828 494 R HA 0.626 4.966 4.340 -0.000 0.000 0.264 494 R C -2.583 173.639 176.300 -0.131 0.000 1.022 494 R CA -1.648 54.367 56.100 -0.143 0.000 1.021 494 R CB 1.455 31.600 30.300 -0.259 0.000 1.163 494 R HN 0.146 nan 8.270 nan 0.000 0.494 495 P HA 0.013 nan 4.420 nan 0.000 0.269 495 P C -0.891 176.327 177.300 -0.137 0.000 1.217 495 P CA 0.155 63.182 63.100 -0.122 0.000 0.783 495 P CB 0.541 32.174 31.700 -0.112 0.000 0.898 496 K N 2.083 122.399 120.400 -0.140 0.000 2.208 496 K HA 0.493 4.813 4.320 -0.000 0.000 0.247 496 K C -2.318 174.171 176.600 -0.185 0.000 0.953 496 K CA -1.933 54.229 56.287 -0.209 0.000 0.837 496 K CB 0.491 32.818 32.500 -0.289 0.000 1.131 496 K HN 0.308 nan 8.250 nan 0.000 0.431 497 P HA -0.011 nan 4.420 nan 0.000 0.268 497 P C -0.699 176.521 177.300 -0.133 0.000 1.205 497 P CA -0.465 62.556 63.100 -0.132 0.000 0.771 497 P CB 0.427 32.060 31.700 -0.111 0.000 0.858 498 L N 1.619 122.790 121.223 -0.085 0.000 2.667 498 L HA 0.055 4.395 4.340 -0.000 0.000 0.278 498 L C 2.142 178.964 176.870 -0.079 0.000 1.217 498 L CA 1.128 55.924 54.840 -0.073 0.000 0.935 498 L CB -1.743 40.287 42.059 -0.049 0.000 1.193 498 L HN 0.794 nan 8.230 nan 0.000 0.493 499 E N 1.418 121.567 120.200 -0.085 0.000 2.515 499 E HA -0.148 4.202 4.350 -0.000 0.000 0.201 499 E C 1.349 177.911 176.600 -0.062 0.000 1.071 499 E CA 1.022 57.368 56.400 -0.089 0.000 0.880 499 E CB -0.976 nan 29.700 nan 0.000 0.828 499 E HN 0.937 nan 8.360 nan 0.000 0.540 500 N N 0.471 119.141 118.700 -0.049 0.000 2.081 500 N HA -0.100 4.640 4.740 -0.000 0.000 0.193 500 N C 0.937 176.427 175.510 -0.033 0.000 1.015 500 N CA 1.434 54.462 53.050 -0.037 0.000 0.891 500 N CB -0.171 38.297 38.487 -0.031 0.000 1.076 500 N HN 0.571 nan 8.380 nan 0.000 0.607 501 A N -0.311 122.491 122.820 -0.030 0.000 2.488 501 A HA 0.661 4.981 4.320 -0.000 0.000 0.298 501 A C -1.163 176.410 177.584 -0.017 0.000 1.044 501 A CA -0.597 51.424 52.037 -0.028 0.000 0.693 501 A CB 1.650 nan 19.000 nan 0.000 1.272 501 A HN 0.410 nan 8.150 nan 0.000 0.402 502 A N 2.575 125.388 122.820 -0.013 0.000 2.476 502 A HA 0.461 4.781 4.320 -0.000 0.000 0.275 502 A C 0.652 178.238 177.584 0.003 0.000 1.133 502 A CA -0.080 51.953 52.037 -0.006 0.000 0.797 502 A CB -0.329 18.667 19.000 -0.008 0.000 1.081 502 A HN 0.804 nan 8.150 nan 0.000 0.510 503 R N 2.558 123.063 120.500 0.008 0.000 2.638 503 R HA 0.121 4.461 4.340 -0.000 0.000 0.268 503 R C -2.285 174.034 176.300 0.032 0.000 1.006 503 R CA -0.675 55.440 56.100 0.026 0.000 1.088 503 R CB -0.154 30.165 30.300 0.033 0.000 0.950 503 R HN 0.482 nan 8.270 nan 0.000 0.419 504 P HA 0.002 nan 4.420 nan 0.000 0.267 504 P C -0.947 176.436 177.300 0.138 0.000 1.205 504 P CA -0.009 63.084 63.100 -0.010 0.000 0.765 504 P CB 0.675 32.232 31.700 -0.238 0.000 0.828 505 V N 4.938 124.966 119.914 0.190 0.000 2.370 505 V HA 0.118 4.238 4.120 -0.000 0.000 0.283 505 V C 0.338 176.590 176.094 0.263 0.000 1.023 505 V CA -0.786 61.628 62.300 0.190 0.000 0.857 505 V CB 1.756 33.654 31.823 0.125 0.000 0.985 505 V HN 0.263 nan 8.190 nan 0.000 0.443 506 V N 8.423 128.434 119.914 0.162 0.000 2.485 506 V HA 0.115 4.235 4.120 -0.000 0.000 0.287 506 V C -1.608 174.518 176.094 0.053 0.000 1.022 506 V CA -0.898 61.402 62.300 0.000 0.000 1.067 506 V CB 0.391 32.174 31.823 -0.067 0.000 0.967 506 V HN 0.799 nan 8.190 nan 0.000 0.479 507 P HA 0.098 nan 4.420 nan 0.000 0.271 507 P C -0.887 176.564 177.300 0.252 0.000 1.233 507 P CA -0.220 62.986 63.100 0.177 0.000 0.789 507 P CB 0.360 32.221 31.700 0.268 0.000 0.951 508 Y N 0.969 121.364 120.300 0.159 0.000 2.326 508 Y HA 0.471 5.021 4.550 -0.000 0.000 0.337 508 Y C 0.749 176.789 175.900 0.234 0.000 1.023 508 Y CA -1.153 57.016 58.100 0.114 0.000 1.143 508 Y CB 0.570 39.072 38.460 0.070 0.000 1.183 508 Y HN 0.626 nan 8.280 nan 0.000 0.485 512 N N -1.411 117.311 118.700 0.038 0.000 1.640 512 N HA 0.207 4.947 4.740 -0.000 0.000 0.251 512 N C 0.220 175.773 175.510 0.072 0.000 0.875 512 N CA 0.732 53.812 53.050 0.049 0.000 1.409 512 N CB -0.908 37.598 38.487 0.031 0.000 1.945 512 N HN 1.847 nan 8.380 nan 0.000 0.321 513 G N -0.385 108.449 108.800 0.056 0.000 2.649 513 G HA2 0.576 4.536 3.960 -0.000 0.000 0.290 513 G HA3 0.576 4.536 3.960 -0.000 0.000 0.290 513 G C -1.338 173.476 174.900 -0.143 0.000 1.426 513 G CA 0.137 45.244 45.100 0.010 0.000 0.794 513 G HN 0.913 nan 8.290 nan 0.000 0.483 514 V N -0.355 119.407 119.914 -0.253 0.000 2.498 514 V HA 0.691 4.811 4.120 -0.000 0.000 0.279 514 V C 0.086 176.056 176.094 -0.207 0.000 1.048 514 V CA -0.655 61.416 62.300 -0.382 0.000 0.967 514 V CB 0.814 32.340 31.823 -0.496 0.000 0.988 514 V HN 0.645 nan 8.190 nan 0.000 0.473 515 K N 3.976 124.266 120.400 -0.184 0.000 2.185 515 K HA 0.311 4.631 4.320 -0.000 0.000 0.271 515 K C -0.375 176.160 176.600 -0.109 0.000 1.013 515 K CA -0.478 55.739 56.287 -0.116 0.000 0.943 515 K CB 0.814 33.260 32.500 -0.090 0.000 0.998 515 K HN 0.997 nan 8.250 nan 0.000 0.468 516 D N 0.447 120.796 120.400 -0.086 0.000 2.472 516 D HA 0.312 4.952 4.640 -0.000 0.000 0.237 516 D C 0.782 177.033 176.300 -0.081 0.000 1.141 516 D CA 0.903 54.851 54.000 -0.087 0.000 0.875 516 D CB 0.948 41.703 40.800 -0.076 0.000 1.192 516 D HN 0.635 nan 8.370 nan 0.000 0.450 517 G N -0.515 108.229 108.800 -0.094 0.000 3.247 517 G HA2 0.275 4.235 3.960 -0.000 0.000 0.199 517 G HA3 0.275 4.235 3.960 -0.000 0.000 0.199 517 G C 0.955 175.783 174.900 -0.120 0.000 1.172 517 G CA 0.080 45.133 45.100 -0.078 0.000 0.844 517 G HN 0.395 nan 8.290 nan 0.000 0.619 518 T N -0.895 113.602 114.554 -0.096 0.000 2.833 518 T HA -0.134 4.216 4.350 -0.000 0.000 0.269 518 T C 2.075 176.584 174.700 -0.318 0.000 1.054 518 T CA 1.834 63.846 62.100 -0.148 0.000 1.135 518 T CB -0.156 68.723 68.868 0.019 0.000 0.869 518 T HN 0.354 nan 8.240 nan 0.000 0.466 519 K N 1.489 121.744 120.400 -0.242 0.000 2.063 519 K HA -0.096 4.224 4.320 -0.000 0.000 0.208 519 K C 2.339 178.795 176.600 -0.240 0.000 1.048 519 K CA 1.508 57.643 56.287 -0.255 0.000 0.928 519 K CB -0.581 31.811 32.500 -0.179 0.000 0.713 519 K HN 0.335 nan 8.250 nan 0.000 0.442 520 Q N -0.017 119.666 119.800 -0.194 0.000 2.172 520 Q HA 0.101 4.441 4.340 -0.000 0.000 0.200 520 Q C 2.020 177.912 176.000 -0.180 0.000 0.964 520 Q CA 1.151 56.857 55.803 -0.162 0.000 0.855 520 Q CB -0.060 28.602 28.738 -0.127 0.000 0.918 520 Q HN 0.281 nan 8.270 nan 0.000 0.444 521 L N -0.480 120.605 121.223 -0.229 0.000 2.056 521 L HA -0.156 4.184 4.340 -0.000 0.000 0.207 521 L C 2.054 178.824 176.870 -0.166 0.000 1.078 521 L CA 0.593 55.301 54.840 -0.220 0.000 0.749 521 L CB -0.474 41.372 42.059 -0.354 0.000 0.901 521 L HN 0.284 nan 8.230 nan 0.000 0.433 522 L N 0.146 121.126 121.223 -0.404 0.000 2.017 522 L HA -0.225 4.114 4.340 -0.000 0.000 0.208 522 L C 2.030 178.776 176.870 -0.207 0.000 1.073 522 L CA 1.937 56.519 54.840 -0.430 0.000 0.745 522 L CB -0.742 40.938 42.059 -0.632 0.000 0.894 522 L HN 0.173 nan 8.230 nan 0.000 0.432 523 D N -0.893 119.393 120.400 -0.190 0.000 2.149 523 D HA -0.171 4.469 4.640 -0.000 0.000 0.198 523 D C 2.130 178.377 176.300 -0.088 0.000 0.990 523 D CA 1.991 55.916 54.000 -0.125 0.000 0.839 523 D CB -0.231 40.499 40.800 -0.116 0.000 0.948 523 D HN 0.612 nan 8.370 nan 0.000 0.460 524 T N -2.433 112.069 114.554 -0.087 0.000 3.051 524 T HA 0.136 4.486 4.350 -0.000 0.000 0.255 524 T C 2.063 176.742 174.700 -0.035 0.000 1.085 524 T CA 0.093 62.158 62.100 -0.058 0.000 1.109 524 T CB -0.106 68.725 68.868 -0.061 0.000 0.921 524 T HN 0.094 nan 8.240 nan 0.000 0.488 525 L N 0.544 121.751 121.223 -0.026 0.000 2.408 525 L HA 0.474 4.814 4.340 -0.000 0.000 0.215 525 L C 1.472 178.352 176.870 0.017 0.000 1.081 525 L CA 0.254 55.103 54.840 0.014 0.000 0.840 525 L CB -0.734 41.359 42.059 0.058 0.000 1.002 525 L HN 0.616 nan 8.230 nan 0.000 0.468 526 G N 0.501 109.296 108.800 -0.009 0.000 2.730 526 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.686 526 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.686 526 G C -2.305 172.578 174.900 -0.027 0.000 1.343 526 G CA -0.364 44.718 45.100 -0.031 0.000 0.826 526 G HN -0.040 nan 8.290 nan 0.000 0.582 527 P HA -0.108 nan 4.420 nan 0.000 0.216 527 P C 1.823 178.968 177.300 -0.259 0.000 1.153 527 P CA 2.139 65.072 63.100 -0.278 0.000 0.848 527 P CB -0.054 31.242 31.700 -0.673 0.000 0.787 528 K N 0.521 120.797 120.400 -0.206 0.000 2.025 528 K HA -0.075 4.245 4.320 -0.000 0.000 0.207 528 K C 2.147 178.803 176.600 0.093 0.000 1.049 528 K CA 1.178 57.489 56.287 0.038 0.000 0.933 528 K CB -0.992 31.585 32.500 0.128 0.000 0.714 528 K HN 0.050 nan 8.250 nan 0.000 0.438 529 K N -0.565 119.884 120.400 0.081 0.000 2.288 529 K HA 0.039 4.359 4.320 -0.000 0.000 0.201 529 K C 1.946 178.633 176.600 0.145 0.000 1.048 529 K CA 0.982 57.329 56.287 0.101 0.000 0.956 529 K CB -0.463 32.086 32.500 0.081 0.000 0.746 529 K HN 0.404 nan 8.250 nan 0.000 0.461 530 F N 1.751 121.724 119.950 0.038 0.000 2.102 530 F HA -0.121 4.406 4.527 -0.000 0.000 0.298 530 F C 2.134 178.055 175.800 0.202 0.000 1.105 530 F CA 1.798 59.844 58.000 0.077 0.000 1.239 530 F CB -0.598 38.385 39.000 -0.028 0.000 0.991 530 F HN 0.055 nan 8.300 nan 0.000 0.474 531 G N -0.531 108.357 108.800 0.147 0.000 2.422 531 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.218 531 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.218 531 G C 1.554 176.471 174.900 0.028 0.000 1.146 531 G CA 0.836 45.996 45.100 0.101 0.000 0.769 531 G HN 0.501 nan 8.290 nan 0.000 0.547 532 E N -0.643 119.590 120.200 0.056 0.000 2.085 532 E HA -0.217 4.133 4.350 -0.000 0.000 0.194 532 E C 2.063 178.660 176.600 -0.005 0.000 0.994 532 E CA 1.229 57.650 56.400 0.034 0.000 0.801 532 E CB -0.363 29.373 29.700 0.060 0.000 0.743 532 E HN 0.592 nan 8.360 nan 0.000 0.453 533 W N 0.973 122.157 121.300 -0.193 0.000 2.335 533 W HA -0.205 4.455 4.660 -0.000 0.000 0.311 533 W C 2.094 178.437 176.519 -0.295 0.000 1.213 533 W CA 2.015 59.215 57.345 -0.242 0.000 1.274 533 W CB -0.184 29.096 29.460 -0.301 0.000 1.148 533 W HN 0.066 nan 8.180 nan 0.000 0.498 534 M N 0.041 119.494 119.600 -0.246 0.000 2.108 534 M HA -0.217 4.263 4.480 -0.000 0.000 0.261 534 M C 2.230 178.331 176.300 -0.331 0.000 1.066 534 M CA 2.106 57.186 55.300 -0.367 0.000 1.107 534 M CB -0.641 31.857 32.600 -0.169 0.000 1.356 534 M HN -0.076 nan 8.290 nan 0.000 0.406 535 R N 1.051 121.433 120.500 -0.197 0.000 2.073 535 R HA -0.119 4.221 4.340 -0.000 0.000 0.234 535 R C 1.602 177.786 176.300 -0.192 0.000 1.134 535 R CA 1.891 57.907 56.100 -0.139 0.000 0.952 535 R CB -0.536 29.726 30.300 -0.063 0.000 0.850 535 R HN 0.324 nan 8.270 nan 0.000 0.433 536 N N 0.724 119.279 118.700 -0.241 0.000 2.309 536 N HA -0.112 4.628 4.740 -0.000 0.000 0.182 536 N C -0.083 175.228 175.510 -0.332 0.000 1.018 536 N CA 0.609 53.513 53.050 -0.243 0.000 0.876 536 N CB -0.353 37.999 38.487 -0.225 0.000 0.972 536 N HN 0.257 nan 8.380 nan 0.000 0.434 537 E N 0.942 120.830 120.200 -0.521 0.000 2.417 537 E HA -0.064 4.286 4.350 -0.000 0.000 0.261 537 E C 1.038 177.444 176.600 -0.323 0.000 1.000 537 E CA 0.051 56.109 56.400 -0.570 0.000 0.919 537 E CB 0.904 30.050 29.700 -0.924 0.000 0.955 537 E HN 0.004 nan 8.360 nan 0.000 0.455 538 K N 5.391 125.647 120.400 -0.239 0.000 2.031 538 K HA -0.066 4.254 4.320 -0.000 0.000 0.205 538 K C 0.648 177.168 176.600 -0.134 0.000 1.049 538 K CA 1.309 57.503 56.287 -0.154 0.000 0.939 538 K CB -0.503 31.930 32.500 -0.112 0.000 0.717 538 K HN 0.688 nan 8.250 nan 0.000 0.438 539 R N 0.544 120.964 120.500 -0.133 0.000 2.679 539 R HA 0.281 4.621 4.340 -0.000 0.000 0.268 539 R C 0.264 176.497 176.300 -0.112 0.000 1.044 539 R CA -0.151 55.890 56.100 -0.098 0.000 1.105 539 R CB 0.431 30.688 30.300 -0.072 0.000 0.989 539 R HN 0.118 nan 8.270 nan 0.000 0.447 540 V N 4.321 124.187 119.914 -0.080 0.000 2.775 540 V HA 0.247 4.367 4.120 -0.000 0.000 0.299 540 V C -0.028 176.030 176.094 -0.059 0.000 1.062 540 V CA -0.417 61.835 62.300 -0.080 0.000 1.063 540 V CB 0.828 32.613 31.823 -0.064 0.000 0.994 540 V HN 0.627 nan 8.190 nan 0.000 0.483 541 L N 6.185 127.367 121.223 -0.069 0.000 2.334 541 L HA 0.548 4.888 4.340 -0.000 0.000 0.275 541 L C -0.915 175.942 176.870 -0.022 0.000 1.036 541 L CA -0.670 54.153 54.840 -0.028 0.000 0.807 541 L CB 1.657 43.697 42.059 -0.032 0.000 1.231 541 L HN 0.456 nan 8.230 nan 0.000 0.438 542 L N 1.587 122.825 121.223 0.026 0.000 2.365 542 L HA 0.543 4.883 4.340 -0.000 0.000 0.273 542 L C -0.117 176.801 176.870 0.080 0.000 1.000 542 L CA -0.002 54.866 54.840 0.046 0.000 0.819 542 L CB 2.205 44.297 42.059 0.054 0.000 1.284 542 L HN 0.452 nan 8.230 nan 0.000 0.418 543 T N 1.352 115.976 114.554 0.117 0.000 2.779 543 T HA 0.251 4.601 4.350 -0.000 0.000 0.280 543 T C -0.882 173.870 174.700 0.088 0.000 0.987 543 T CA -0.422 61.761 62.100 0.138 0.000 0.966 543 T CB 1.029 70.055 68.868 0.263 0.000 0.933 543 T HN 0.431 nan 8.240 nan 0.000 0.442 544 D N 2.374 122.813 120.400 0.064 0.000 2.280 544 D HA 0.136 4.776 4.640 -0.000 0.000 0.243 544 D C 1.025 177.320 176.300 -0.008 0.000 1.129 544 D CA -0.276 53.753 54.000 0.049 0.000 0.848 544 D CB 1.360 42.225 40.800 0.108 0.000 1.107 544 D HN 0.608 nan 8.370 nan 0.000 0.471 545 T N -0.123 114.412 114.554 -0.033 0.000 3.163 545 T HA 0.027 4.377 4.350 -0.000 0.000 0.252 545 T C 1.468 176.102 174.700 -0.111 0.000 1.056 545 T CA -0.100 61.965 62.100 -0.059 0.000 0.947 545 T CB -0.002 68.834 68.868 -0.054 0.000 1.016 545 T HN 0.252 nan 8.240 nan 0.000 0.554 546 T N 2.698 117.162 114.554 -0.150 0.000 2.759 546 T HA -0.025 4.325 4.350 -0.000 0.000 0.269 546 T C 1.671 176.209 174.700 -0.270 0.000 1.042 546 T CA 1.375 63.280 62.100 -0.326 0.000 1.140 546 T CB -0.398 68.128 68.868 -0.569 0.000 0.864 546 T HN 0.419 nan 8.240 nan 0.000 0.455 547 M N -0.283 119.249 119.600 -0.113 0.000 2.618 547 M HA 0.166 4.646 4.480 -0.000 0.000 0.240 547 M C 2.174 178.591 176.300 0.195 0.000 1.123 547 M CA 0.558 55.904 55.300 0.077 0.000 1.060 547 M CB 0.160 32.819 32.600 0.098 0.000 1.535 547 M HN 0.007 nan 8.290 nan 0.000 0.507 548 R N -0.048 120.451 120.500 -0.002 0.000 3.815 548 R HA 0.063 4.403 4.340 -0.000 0.000 0.133 548 R C 1.034 177.110 176.300 -0.373 0.000 1.740 548 R CA 0.694 56.696 56.100 -0.162 0.000 1.270 548 R CB -0.736 29.528 30.300 -0.060 0.000 1.340 548 R HN -0.011 nan 8.270 nan 0.000 0.449 549 D N 0.299 120.584 120.400 -0.192 0.000 2.144 549 D HA -0.032 4.608 4.640 -0.000 0.000 0.199 549 D C 1.583 177.778 176.300 -0.174 0.000 0.984 549 D CA 1.619 55.532 54.000 -0.145 0.000 0.834 549 D CB -0.394 40.396 40.800 -0.017 0.000 0.955 549 D HN 0.510 nan 8.370 nan 0.000 0.465 550 G N -0.375 108.315 108.800 -0.183 0.000 2.459 550 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.217 550 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.217 550 G C 1.414 176.231 174.900 -0.139 0.000 1.183 550 G CA 1.604 46.608 45.100 -0.161 0.000 0.776 550 G HN 0.566 nan 8.290 nan 0.000 0.552 551 H N -1.241 117.725 119.070 -0.174 0.000 2.512 551 H HA 0.218 4.774 4.556 -0.000 0.000 0.279 551 H C 2.237 177.498 175.328 -0.111 0.000 0.999 551 H CA 1.057 57.006 56.048 -0.166 0.000 1.283 551 H CB -0.275 29.348 29.762 -0.232 0.000 1.421 551 H HN 0.460 nan 8.280 nan 0.000 0.554 552 Q N 1.091 120.594 119.800 -0.496 0.000 2.084 552 Q HA -0.149 4.191 4.340 -0.000 0.000 0.202 552 Q C 1.874 177.813 176.000 -0.103 0.000 0.978 552 Q CA 1.949 57.592 55.803 -0.267 0.000 0.844 552 Q CB -0.014 28.578 28.738 -0.242 0.000 0.898 552 Q HN 0.495 nan 8.270 nan 0.000 0.426 553 S N 0.092 115.752 115.700 -0.067 0.000 2.368 553 S HA -0.031 4.439 4.470 -0.000 0.000 0.224 553 S C 1.725 176.329 174.600 0.007 0.000 1.029 553 S CA 1.029 59.230 58.200 0.003 0.000 0.988 553 S CB -0.011 63.219 63.200 0.049 0.000 0.838 553 S HN 0.376 nan 8.310 nan 0.000 0.462 554 L N -0.189 121.031 121.223 -0.005 0.000 2.515 554 L HA 0.321 4.661 4.340 -0.000 0.000 0.223 554 L C 0.686 177.580 176.870 0.040 0.000 1.079 554 L CA 0.561 55.411 54.840 0.018 0.000 0.857 554 L CB 0.106 42.170 42.059 0.008 0.000 1.050 554 L HN 0.186 nan 8.230 nan 0.000 0.476 555 L N -0.056 121.186 121.223 0.032 0.000 3.366 555 L HA 0.399 4.739 4.340 -0.000 0.000 0.304 555 L C 0.800 177.678 176.870 0.014 0.000 1.292 555 L CA -0.207 54.673 54.840 0.066 0.000 1.012 555 L CB 0.683 42.748 42.059 0.009 0.000 1.414 555 L HN 0.136 nan 8.230 nan 0.000 0.603 556 A N -0.381 122.437 122.820 -0.003 0.000 2.832 556 A HA -0.281 4.039 4.320 -0.000 0.000 0.280 556 A C 1.095 178.629 177.584 -0.083 0.000 1.464 556 A CA 0.982 52.987 52.037 -0.054 0.000 0.804 556 A CB -2.234 16.724 19.000 -0.071 0.000 1.020 556 A HN 0.659 nan 8.150 nan 0.000 0.563 557 T N -2.333 112.201 114.554 -0.033 0.000 4.210 557 T HA -0.256 4.094 4.350 -0.000 0.000 0.329 557 T C 0.686 175.443 174.700 0.095 0.000 0.793 557 T CA 1.500 63.634 62.100 0.058 0.000 1.935 557 T CB -1.157 67.692 68.868 -0.033 0.000 1.918 557 T HN 0.894 nan 8.240 nan 0.000 0.875 558 R N -0.714 119.734 120.500 -0.087 0.000 2.310 558 R HA 0.321 4.661 4.340 -0.000 0.000 0.202 558 R C 0.938 177.166 176.300 -0.121 0.000 0.933 558 R CA -0.117 55.863 56.100 -0.200 0.000 1.054 558 R CB -0.243 29.630 30.300 -0.713 0.000 0.985 558 R HN 0.586 nan 8.270 nan 0.000 0.489 559 M N 1.576 120.931 119.600 -0.408 0.000 2.269 559 M HA 0.010 4.490 4.480 -0.000 0.000 0.350 559 M C -0.090 176.096 176.300 -0.190 0.000 1.429 559 M CA 0.609 55.534 55.300 -0.625 0.000 1.063 559 M CB 0.361 32.244 32.600 -1.195 0.000 1.841 559 M HN -0.127 nan 8.290 nan 0.000 0.455 560 R N 3.083 123.653 120.500 0.115 0.000 2.500 560 R HA 0.320 4.660 4.340 -0.000 0.000 0.277 560 R C 1.161 177.522 176.300 0.102 0.000 1.026 560 R CA -0.393 55.757 56.100 0.082 0.000 1.058 560 R CB 0.591 30.934 30.300 0.071 0.000 1.078 560 R HN 0.812 nan 8.270 nan 0.000 0.509 561 T N 0.918 115.504 114.554 0.054 0.000 2.685 561 T HA -0.281 4.069 4.350 -0.000 0.000 0.268 561 T C 1.479 176.258 174.700 0.132 0.000 1.034 561 T CA 1.794 63.943 62.100 0.082 0.000 1.149 561 T CB -0.390 68.509 68.868 0.051 0.000 0.860 561 T HN 0.586 nan 8.240 nan 0.000 0.449 562 Y N 2.159 122.479 120.300 0.033 0.000 2.114 562 Y HA -0.233 4.317 4.550 -0.000 0.000 0.282 562 Y C 2.153 178.120 175.900 0.112 0.000 1.165 562 Y CA 1.837 59.972 58.100 0.057 0.000 1.148 562 Y CB -0.250 38.232 38.460 0.037 0.000 0.972 562 Y HN 0.200 nan 8.280 nan 0.000 0.504 563 D N -0.170 120.448 120.400 0.363 0.000 2.194 563 D HA -0.098 4.542 4.640 -0.000 0.000 0.204 563 D C 2.249 178.699 176.300 0.248 0.000 0.964 563 D CA 1.427 55.628 54.000 0.334 0.000 0.846 563 D CB -0.060 40.988 40.800 0.414 0.000 0.962 563 D HN 0.466 nan 8.370 nan 0.000 0.490 564 I N 1.328 122.045 120.570 0.246 0.000 2.193 564 I HA -0.162 4.008 4.170 -0.000 0.000 0.240 564 I C 2.545 178.736 176.117 0.124 0.000 1.084 564 I CA 0.796 62.261 61.300 0.273 0.000 1.365 564 I CB -0.194 37.949 38.000 0.239 0.000 1.064 564 I HN -0.113 nan 8.210 nan 0.000 0.410 565 A N 0.710 123.565 122.820 0.057 0.000 1.972 565 A HA -0.176 4.144 4.320 -0.000 0.000 0.219 565 A C 2.340 179.890 177.584 -0.058 0.000 1.169 565 A CA 1.368 53.405 52.037 -0.001 0.000 0.635 565 A CB -0.552 18.438 19.000 -0.017 0.000 0.810 565 A HN 0.303 nan 8.150 nan 0.000 0.446 566 R N -1.566 118.871 120.500 -0.104 0.000 2.189 566 R HA 0.041 4.381 4.340 -0.000 0.000 0.218 566 R C 1.427 177.587 176.300 -0.233 0.000 1.074 566 R CA 1.077 57.078 56.100 -0.166 0.000 0.991 566 R CB -0.158 30.029 30.300 -0.189 0.000 0.883 566 R HN 0.515 nan 8.270 nan 0.000 0.457 567 I N -0.316 120.090 120.570 -0.273 0.000 3.860 567 I HA 0.134 4.304 4.170 -0.000 0.000 0.319 567 I C 1.651 177.747 176.117 -0.035 0.000 1.279 567 I CA 0.102 61.164 61.300 -0.398 0.000 1.220 567 I CB 0.342 37.881 38.000 -0.768 0.000 1.027 567 I HN 0.013 nan 8.210 nan 0.000 0.428 568 A N 0.383 123.218 122.820 0.026 0.000 1.902 568 A HA -0.083 4.237 4.320 -0.000 0.000 0.217 568 A C 2.413 180.048 177.584 0.084 0.000 1.181 568 A CA 1.619 53.708 52.037 0.087 0.000 0.623 568 A CB -1.559 17.451 19.000 0.015 0.000 0.818 568 A HN 0.439 nan 8.150 nan 0.000 0.443 569 G N -0.935 107.881 108.800 0.027 0.000 2.469 569 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.219 569 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.219 569 G C 1.568 176.510 174.900 0.070 0.000 1.150 569 G CA 1.761 46.899 45.100 0.062 0.000 0.763 569 G HN 0.451 nan 8.290 nan 0.000 0.561 570 T N 0.027 114.542 114.554 -0.066 0.000 2.737 570 T HA -0.108 4.242 4.350 -0.000 0.000 0.265 570 T C 2.077 176.657 174.700 -0.200 0.000 1.038 570 T CA 1.276 63.253 62.100 -0.205 0.000 1.144 570 T CB -0.378 68.322 68.868 -0.280 0.000 0.866 570 T HN 0.359 nan 8.240 nan 0.000 0.434 571 Y N 1.273 121.495 120.300 -0.129 0.000 2.128 571 Y HA -0.180 4.370 4.550 -0.000 0.000 0.284 571 Y C 3.115 178.948 175.900 -0.111 0.000 1.154 571 Y CA 1.493 59.541 58.100 -0.087 0.000 1.149 571 Y CB -0.560 37.890 38.460 -0.017 0.000 0.976 571 Y HN 0.160 nan 8.280 nan 0.000 0.505 572 S N -0.917 114.832 115.700 0.083 0.000 2.359 572 S HA -0.269 4.201 4.470 -0.000 0.000 0.224 572 S C 1.683 176.180 174.600 -0.172 0.000 1.035 572 S CA 2.032 60.205 58.200 -0.046 0.000 1.018 572 S CB -0.345 62.817 63.200 -0.063 0.000 0.876 572 S HN 0.567 nan 8.310 nan 0.000 0.448 573 H N -0.086 118.855 119.070 -0.214 0.000 2.415 573 H HA 0.391 4.947 4.556 -0.000 0.000 0.297 573 H C 2.155 177.227 175.328 -0.426 0.000 1.048 573 H CA 1.225 57.096 56.048 -0.295 0.000 1.365 573 H CB -0.197 29.357 29.762 -0.347 0.000 1.421 573 H HN 0.451 nan 8.280 nan 0.000 0.533 574 A N 0.021 122.564 122.820 -0.463 0.000 1.997 574 A HA 0.209 4.529 4.320 -0.000 0.000 0.212 574 A C 0.863 178.203 177.584 -0.406 0.000 1.178 574 A CA 0.406 51.944 52.037 -0.831 0.000 0.698 574 A CB 0.279 18.392 19.000 -1.478 0.000 0.842 574 A HN 0.255 nan 8.150 nan 0.000 0.458 575 L N 0.588 121.690 121.223 -0.202 0.000 2.839 575 L HA 0.257 4.597 4.340 -0.000 0.000 0.259 575 L C -1.912 174.954 176.870 -0.008 0.000 1.369 575 L CA -1.085 53.727 54.840 -0.047 0.000 0.845 575 L CB 1.277 43.364 42.059 0.048 0.000 1.181 575 L HN 0.149 nan 8.230 nan 0.000 0.529 576 P HA -0.054 nan 4.420 nan 0.000 0.233 576 P C 0.593 177.895 177.300 0.003 0.000 1.167 576 P CA 0.849 63.924 63.100 -0.043 0.000 0.770 576 P CB 0.313 31.964 31.700 -0.082 0.000 0.837 577 N N -0.301 118.416 118.700 0.029 0.000 2.398 577 N HA 0.085 4.825 4.740 -0.000 0.000 0.188 577 N C 0.721 176.286 175.510 0.092 0.000 1.122 577 N CA 0.061 53.152 53.050 0.068 0.000 0.866 577 N CB -0.353 38.174 38.487 0.066 0.000 0.970 577 N HN 0.261 nan 8.380 nan 0.000 0.462 578 L N 0.989 122.263 121.223 0.084 0.000 2.485 578 L HA -0.046 4.294 4.340 -0.000 0.000 0.275 578 L C 1.784 178.718 176.870 0.107 0.000 1.207 578 L CA -0.321 54.578 54.840 0.098 0.000 0.855 578 L CB 0.592 42.716 42.059 0.109 0.000 1.114 578 L HN 0.052 nan 8.230 nan 0.000 0.485 579 L N 2.975 124.272 121.223 0.124 0.000 1.994 579 L HA -0.088 4.252 4.340 -0.000 0.000 0.208 579 L C 0.910 177.848 176.870 0.113 0.000 1.071 579 L CA 1.786 56.723 54.840 0.163 0.000 0.745 579 L CB -0.044 42.099 42.059 0.140 0.000 0.892 579 L HN 0.848 nan 8.230 nan 0.000 0.431 580 S N -2.398 113.353 115.700 0.085 0.000 2.567 580 S HA 0.514 4.984 4.470 -0.000 0.000 0.270 580 S C -1.076 173.528 174.600 0.007 0.000 1.152 580 S CA -0.986 57.237 58.200 0.039 0.000 0.835 580 S CB 0.625 63.867 63.200 0.069 0.000 1.115 580 S HN 0.082 nan 8.310 nan 0.000 0.459 581 L N 1.646 122.837 121.223 -0.052 0.000 2.272 581 L HA 0.530 4.870 4.340 -0.000 0.000 0.289 581 L C 0.350 177.187 176.870 -0.056 0.000 1.032 581 L CA -0.420 54.362 54.840 -0.097 0.000 0.810 581 L CB 1.386 43.336 42.059 -0.181 0.000 1.205 581 L HN 0.804 nan 8.230 nan 0.000 0.422 582 E N 3.317 123.497 120.200 -0.034 0.000 2.105 582 E HA 0.167 4.517 4.350 -0.000 0.000 0.285 582 E C -0.005 176.591 176.600 -0.007 0.000 1.055 582 E CA -0.305 56.084 56.400 -0.019 0.000 0.843 582 E CB 0.789 30.474 29.700 -0.025 0.000 1.067 582 E HN 0.871 nan 8.360 nan 0.000 0.398 583 C N 3.276 122.598 119.300 0.036 0.000 3.722 583 C HA 0.512 4.972 4.460 -0.000 0.000 0.279 583 C C -0.557 174.580 174.990 0.246 0.000 1.819 583 C CA -0.903 58.172 59.018 0.095 0.000 1.744 583 C CB -1.248 26.517 27.740 0.041 0.000 3.247 583 C HN 0.731 nan 8.230 nan 0.000 0.549 584 W N 0.421 121.681 121.300 -0.067 0.000 3.066 584 W HA 0.593 5.253 4.660 -0.000 0.000 0.330 584 W C 0.565 177.066 176.519 -0.031 0.000 1.253 584 W CA 1.198 58.507 57.345 -0.060 0.000 1.187 584 W CB 0.825 30.219 29.460 -0.110 0.000 1.434 584 W HN 1.030 nan 8.180 nan 0.000 0.572 585 G N 1.264 109.931 108.800 -0.222 0.000 2.598 585 G HA2 0.335 4.295 3.960 -0.000 0.000 0.244 585 G HA3 0.335 4.295 3.960 -0.000 0.000 0.244 585 G C 0.759 175.592 174.900 -0.111 0.000 1.302 585 G CA 1.023 46.017 45.100 -0.176 0.000 0.903 585 G HN 2.276 nan 8.290 nan 0.000 0.575 586 G N -1.022 107.759 108.800 -0.032 0.000 2.627 586 G HA2 0.126 4.085 3.960 -0.000 0.000 0.312 586 G HA3 0.126 4.085 3.960 -0.000 0.000 0.312 586 G C 1.649 176.532 174.900 -0.029 0.000 1.299 586 G CA 2.611 47.705 45.100 -0.010 0.000 0.989 586 G HN 2.562 nan 8.290 nan 0.000 0.547 587 A N -0.750 122.047 122.820 -0.039 0.000 2.206 587 A HA 0.313 4.633 4.320 -0.000 0.000 0.211 587 A C 2.532 180.071 177.584 -0.075 0.000 1.158 587 A CA 2.584 54.602 52.037 -0.032 0.000 0.761 587 A CB -0.857 18.135 19.000 -0.014 0.000 0.801 587 A HN 2.030 nan 8.150 nan 0.000 0.473 588 T N -3.288 111.199 114.554 -0.112 0.000 2.881 588 T HA -0.170 4.180 4.350 -0.000 0.000 0.270 588 T C 1.623 176.182 174.700 -0.235 0.000 1.068 588 T CA 1.400 63.419 62.100 -0.135 0.000 1.131 588 T CB -0.547 68.247 68.868 -0.123 0.000 0.871 588 T HN 0.352 nan 8.240 nan 0.000 0.479 589 F N 3.607 123.302 119.950 -0.426 0.000 2.084 589 F HA -0.059 4.468 4.527 -0.000 0.000 0.296 589 F C 2.328 177.858 175.800 -0.449 0.000 1.111 589 F CA 1.925 59.612 58.000 -0.521 0.000 1.224 589 F CB -0.098 38.572 39.000 -0.549 0.000 0.991 589 F HN 0.254 nan 8.300 nan 0.000 0.471 590 D N -0.337 119.875 120.400 -0.312 0.000 2.162 590 D HA -0.122 4.518 4.640 -0.000 0.000 0.203 590 D C 2.161 178.214 176.300 -0.412 0.000 0.967 590 D CA 1.343 54.972 54.000 -0.619 0.000 0.840 590 D CB -1.012 39.077 40.800 -1.185 0.000 0.972 590 D HN 0.287 nan 8.370 nan 0.000 0.482 591 V N 1.937 121.712 119.914 -0.231 0.000 2.332 591 V HA -0.293 3.827 4.120 -0.000 0.000 0.248 591 V C 3.021 179.055 176.094 -0.100 0.000 1.055 591 V CA 2.280 64.550 62.300 -0.051 0.000 1.038 591 V CB -0.838 31.035 31.823 0.083 0.000 0.651 591 V HN 0.432 nan 8.190 nan 0.000 0.450 592 S N -0.284 115.294 115.700 -0.203 0.000 2.359 592 S HA -0.273 4.197 4.470 -0.000 0.000 0.224 592 S C 1.955 176.361 174.600 -0.323 0.000 1.035 592 S CA 2.082 60.141 58.200 -0.236 0.000 1.018 592 S CB -0.485 62.533 63.200 -0.302 0.000 0.876 592 S HN 0.533 nan 8.310 nan 0.000 0.448 593 M N 1.812 121.138 119.600 -0.458 0.000 2.160 593 M HA 0.024 4.504 4.480 -0.000 0.000 0.264 593 M C 2.726 178.880 176.300 -0.244 0.000 1.073 593 M CA 1.514 56.495 55.300 -0.532 0.000 1.142 593 M CB -0.333 31.940 32.600 -0.545 0.000 1.358 593 M HN 0.496 nan 8.290 nan 0.000 0.422 594 R N -0.295 120.015 120.500 -0.317 0.000 2.090 594 R HA -0.064 4.276 4.340 -0.000 0.000 0.228 594 R C 1.164 177.240 176.300 -0.373 0.000 1.110 594 R CA 1.535 57.380 56.100 -0.424 0.000 0.973 594 R CB -0.326 29.543 30.300 -0.718 0.000 0.869 594 R HN 0.245 nan 8.270 nan 0.000 0.440 595 F N 0.149 120.129 119.950 0.050 0.000 2.712 595 F HA 0.356 4.883 4.527 -0.000 0.000 0.297 595 F C 1.536 177.498 175.800 0.270 0.000 1.114 595 F CA -0.202 57.897 58.000 0.164 0.000 1.305 595 F CB 0.481 39.543 39.000 0.103 0.000 1.086 595 F HN -0.145 nan 8.300 nan 0.000 0.599 596 L N -0.741 120.634 121.223 0.253 0.000 2.766 596 L HA 0.187 4.527 4.340 -0.000 0.000 0.242 596 L C 0.289 177.150 176.870 -0.016 0.000 1.136 596 L CA 0.102 54.988 54.840 0.077 0.000 0.933 596 L CB -0.602 41.390 42.059 -0.111 0.000 1.241 596 L HN 0.008 nan 8.230 nan 0.000 0.522 597 T N 0.697 115.336 114.554 0.141 0.000 3.795 597 T HA -0.226 4.124 4.350 -0.000 0.000 0.370 597 T C 0.063 174.898 174.700 0.224 0.000 0.761 597 T CA 1.176 63.433 62.100 0.263 0.000 1.923 597 T CB -1.748 67.307 68.868 0.312 0.000 1.795 597 T HN 0.801 nan 8.240 nan 0.000 0.762 598 E N -1.299 118.836 120.200 -0.109 0.000 2.429 598 E HA 0.589 4.939 4.350 -0.000 0.000 0.276 598 E C -1.520 174.757 176.600 -0.539 0.000 0.953 598 E CA -1.285 55.039 56.400 -0.127 0.000 0.787 598 E CB 1.559 31.192 29.700 -0.112 0.000 1.307 598 E HN 0.027 nan 8.360 nan 0.000 0.458 599 D N 2.152 122.445 120.400 -0.180 0.000 2.316 599 D HA 0.164 4.804 4.640 -0.000 0.000 0.245 599 D C -1.397 174.852 176.300 -0.084 0.000 1.171 599 D CA -2.599 51.328 54.000 -0.122 0.000 0.856 599 D CB 1.498 42.505 40.800 0.345 0.000 1.090 599 D HN 0.183 nan 8.370 nan 0.000 0.476 600 P HA -0.099 nan 4.420 nan 0.000 0.222 600 P C 1.108 178.505 177.300 0.161 0.000 1.147 600 P CA 0.857 63.845 63.100 -0.187 0.000 0.790 600 P CB 0.091 31.334 31.700 -0.761 0.000 0.780 601 W N 0.954 122.389 121.300 0.224 0.000 2.409 601 W HA -0.064 4.596 4.660 -0.000 0.000 0.299 601 W C 2.653 179.199 176.519 0.046 0.000 1.203 601 W CA 0.806 58.218 57.345 0.111 0.000 1.298 601 W CB -0.900 28.593 29.460 0.055 0.000 1.127 601 W HN 0.005 nan 8.180 nan 0.000 0.528 602 E N 1.081 121.474 120.200 0.322 0.000 2.077 602 E HA -0.215 4.135 4.350 -0.000 0.000 0.193 602 E C 2.166 178.840 176.600 0.123 0.000 0.989 602 E CA 1.535 58.062 56.400 0.212 0.000 0.800 602 E CB -0.322 29.501 29.700 0.205 0.000 0.746 602 E HN 0.123 nan 8.360 nan 0.000 0.452 603 R N -0.218 120.351 120.500 0.115 0.000 2.096 603 R HA -0.179 4.161 4.340 -0.000 0.000 0.240 603 R C 2.347 178.666 176.300 0.031 0.000 1.139 603 R CA 1.694 57.846 56.100 0.087 0.000 0.952 603 R CB -0.509 29.862 30.300 0.118 0.000 0.854 603 R HN 0.350 nan 8.270 nan 0.000 0.436 604 L N 0.648 121.844 121.223 -0.044 0.000 2.056 604 L HA -0.019 4.321 4.340 -0.000 0.000 0.207 604 L C 2.285 179.047 176.870 -0.181 0.000 1.078 604 L CA 2.136 56.791 54.840 -0.308 0.000 0.749 604 L CB -0.726 40.782 42.059 -0.919 0.000 0.901 604 L HN 0.244 nan 8.230 nan 0.000 0.433 605 A N -0.338 122.439 122.820 -0.072 0.000 1.908 605 A HA -0.190 4.130 4.320 -0.000 0.000 0.218 605 A C 2.270 179.847 177.584 -0.013 0.000 1.181 605 A CA 2.135 54.164 52.037 -0.014 0.000 0.627 605 A CB -0.949 18.096 19.000 0.076 0.000 0.818 605 A HN 0.530 nan 8.150 nan 0.000 0.445 606 L N -0.750 120.474 121.223 0.002 0.000 2.056 606 L HA -0.161 4.179 4.340 -0.000 0.000 0.207 606 L C 2.476 179.335 176.870 -0.018 0.000 1.078 606 L CA 1.187 56.028 54.840 0.001 0.000 0.749 606 L CB -0.515 41.553 42.059 0.016 0.000 0.901 606 L HN 0.378 nan 8.230 nan 0.000 0.433 607 I N -0.434 120.117 120.570 -0.032 0.000 2.179 607 I HA -0.299 3.871 4.170 -0.000 0.000 0.242 607 I C 2.803 178.880 176.117 -0.067 0.000 1.088 607 I CA 1.014 62.287 61.300 -0.046 0.000 1.357 607 I CB -0.281 37.685 38.000 -0.057 0.000 1.051 607 I HN 0.204 nan 8.210 nan 0.000 0.409 608 R N 1.361 121.809 120.500 -0.088 0.000 2.096 608 R HA -0.204 4.136 4.340 -0.000 0.000 0.240 608 R C 2.132 178.395 176.300 -0.062 0.000 1.139 608 R CA 1.720 57.766 56.100 -0.091 0.000 0.952 608 R CB -0.327 29.913 30.300 -0.099 0.000 0.854 608 R HN 0.274 nan 8.270 nan 0.000 0.436 609 E N -0.955 119.220 120.200 -0.041 0.000 2.152 609 E HA -0.038 4.312 4.350 -0.000 0.000 0.192 609 E C 1.874 178.460 176.600 -0.024 0.000 0.983 609 E CA 1.345 57.728 56.400 -0.028 0.000 0.818 609 E CB -0.415 29.278 29.700 -0.012 0.000 0.758 609 E HN 0.606 nan 8.360 nan 0.000 0.467 610 G N 0.596 109.383 108.800 -0.022 0.000 2.464 610 G HA2 0.029 3.989 3.960 -0.000 0.000 0.217 610 G HA3 0.029 3.989 3.960 -0.000 0.000 0.217 610 G C 0.859 175.751 174.900 -0.013 0.000 1.138 610 G CA 0.603 45.697 45.100 -0.010 0.000 0.793 610 G HN 0.268 nan 8.290 nan 0.000 0.539 611 A N 0.722 123.520 122.820 -0.037 0.000 3.258 611 A HA 0.621 4.941 4.320 -0.000 0.000 0.318 611 A C -1.399 176.139 177.584 -0.076 0.000 0.990 611 A CA -0.856 51.151 52.037 -0.051 0.000 0.885 611 A CB 1.002 19.973 19.000 -0.049 0.000 1.090 611 A HN 0.108 nan 8.150 nan 0.000 0.479 612 P HA -0.077 nan 4.420 nan 0.000 0.237 612 P C 0.371 177.609 177.300 -0.103 0.000 1.178 612 P CA 0.816 63.864 63.100 -0.088 0.000 0.766 612 P CB 0.176 31.829 31.700 -0.078 0.000 0.876 613 N N -0.394 118.242 118.700 -0.107 0.000 2.254 613 N HA 0.049 4.789 4.740 -0.000 0.000 0.190 613 N C 0.364 175.812 175.510 -0.104 0.000 1.107 613 N CA 0.093 53.077 53.050 -0.111 0.000 0.869 613 N CB -0.377 38.040 38.487 -0.117 0.000 0.983 613 N HN 0.180 nan 8.380 nan 0.000 0.487 614 L N 0.946 122.111 121.223 -0.096 0.000 2.334 614 L HA 0.475 4.815 4.340 -0.000 0.000 0.273 614 L C 0.163 176.966 176.870 -0.113 0.000 1.013 614 L CA -1.058 53.731 54.840 -0.085 0.000 0.816 614 L CB 2.232 44.256 42.059 -0.057 0.000 1.278 614 L HN -0.134 nan 8.230 nan 0.000 0.431 615 L N 3.234 124.388 121.223 -0.114 0.000 2.456 615 L HA 0.236 4.576 4.340 -0.000 0.000 0.272 615 L C -0.360 176.440 176.870 -0.116 0.000 1.189 615 L CA -0.037 54.718 54.840 -0.142 0.000 0.846 615 L CB 0.478 42.457 42.059 -0.134 0.000 1.111 615 L HN 0.394 nan 8.230 nan 0.000 0.475 616 L N 3.975 125.110 121.223 -0.148 0.000 2.296 616 L HA 0.448 4.788 4.340 -0.000 0.000 0.286 616 L C -0.238 176.533 176.870 -0.165 0.000 1.023 616 L CA -0.325 54.423 54.840 -0.153 0.000 0.812 616 L CB 1.658 43.598 42.059 -0.199 0.000 1.223 616 L HN 0.620 nan 8.230 nan 0.000 0.421 617 Q N 4.745 124.480 119.800 -0.109 0.000 2.353 617 Q HA 0.672 5.012 4.340 -0.000 0.000 0.268 617 Q C -1.066 174.899 176.000 -0.058 0.000 1.045 617 Q CA -0.780 54.969 55.803 -0.090 0.000 0.811 617 Q CB 2.458 31.188 28.738 -0.014 0.000 1.305 617 Q HN 0.715 nan 8.270 nan 0.000 0.447 618 M N 2.102 121.654 119.600 -0.080 0.000 2.664 618 M HA 0.553 5.033 4.480 -0.000 0.000 0.314 618 M C -1.678 174.658 176.300 0.061 0.000 1.200 618 M CA -1.201 54.127 55.300 0.047 0.000 0.916 618 M CB 1.651 34.340 32.600 0.150 0.000 1.717 618 M HN 0.591 nan 8.290 nan 0.000 0.470 619 L N 2.920 124.189 121.223 0.076 0.000 2.275 619 L HA 0.642 4.982 4.340 -0.000 0.000 0.288 619 L C -1.709 175.288 176.870 0.210 0.000 1.046 619 L CA -0.408 54.498 54.840 0.110 0.000 0.805 619 L CB 1.357 43.428 42.059 0.020 0.000 1.193 619 L HN 0.815 nan 8.230 nan 0.000 0.426 620 L N 5.224 126.625 121.223 0.297 0.000 2.362 620 L HA 0.590 4.930 4.340 -0.000 0.000 0.275 620 L C -0.557 176.412 176.870 0.165 0.000 0.998 620 L CA -0.434 54.561 54.840 0.259 0.000 0.820 620 L CB 1.133 43.403 42.059 0.351 0.000 1.270 620 L HN 0.583 nan 8.230 nan 0.000 0.415 621 R N 2.697 123.175 120.500 -0.037 0.000 2.298 621 R HA 0.324 4.664 4.340 -0.000 0.000 0.310 621 R C 0.974 177.123 176.300 -0.252 0.000 1.068 621 R CA 0.638 56.481 56.100 -0.429 0.000 0.957 621 R CB 1.333 31.372 30.300 -0.436 0.000 1.003 621 R HN 0.951 nan 8.270 nan 0.000 0.454 622 G N 3.033 111.664 108.800 -0.281 0.000 2.446 622 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.217 622 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.217 622 G C 1.172 175.998 174.900 -0.123 0.000 1.168 622 G CA 0.938 45.950 45.100 -0.147 0.000 0.771 622 G HN 0.684 nan 8.290 nan 0.000 0.551 623 A N 1.270 124.005 122.820 -0.142 0.000 1.969 623 A HA 0.001 4.321 4.320 -0.000 0.000 0.218 623 A C 1.801 179.351 177.584 -0.056 0.000 1.169 623 A CA 2.026 54.010 52.037 -0.088 0.000 0.635 623 A CB -0.172 18.786 19.000 -0.070 0.000 0.810 623 A HN 0.606 nan 8.150 nan 0.000 0.445 624 N N -2.868 115.789 118.700 -0.072 0.000 2.217 624 N HA 0.298 5.038 4.740 -0.000 0.000 0.239 624 N C 0.813 176.235 175.510 -0.147 0.000 1.330 624 N CA 1.041 54.095 53.050 0.008 0.000 0.838 624 N CB -0.420 38.113 38.487 0.078 0.000 1.287 624 N HN 0.743 nan 8.380 nan 0.000 0.498 625 G N 1.269 109.960 108.800 -0.183 0.000 2.687 625 G HA2 -0.360 3.600 3.960 -0.000 0.000 0.303 625 G HA3 -0.360 3.600 3.960 -0.000 0.000 0.303 625 G C 0.548 175.217 174.900 -0.384 0.000 1.209 625 G CA 1.927 46.840 45.100 -0.311 0.000 0.968 625 G HN 1.077 nan 8.290 nan 0.000 0.549 626 V N -0.222 119.247 119.914 -0.741 0.000 3.380 626 V HA 0.715 4.835 4.120 -0.000 0.000 0.307 626 V C 1.359 177.314 176.094 -0.233 0.000 1.434 626 V CA 1.032 63.035 62.300 -0.494 0.000 1.075 626 V CB -0.023 31.320 31.823 -0.800 0.000 0.954 626 V HN 1.682 nan 8.190 nan 0.000 0.444 627 G N 0.844 109.461 108.800 -0.305 0.000 2.553 627 G HA2 0.337 4.297 3.960 -0.000 0.000 0.278 627 G HA3 0.337 4.297 3.960 -0.000 0.000 0.278 627 G C 0.166 175.065 174.900 -0.001 0.000 1.349 627 G CA 0.106 45.062 45.100 -0.239 0.000 1.037 627 G HN 0.732 nan 8.290 nan 0.000 0.508 628 Y N -3.124 117.087 120.300 -0.150 0.000 2.500 628 Y HA 0.547 5.097 4.550 -0.000 0.000 0.246 628 Y C 0.726 176.547 175.900 -0.132 0.000 1.146 628 Y CA 0.019 58.084 58.100 -0.059 0.000 1.230 628 Y CB 0.252 38.725 38.460 0.022 0.000 1.214 628 Y HN 0.601 nan 8.280 nan 0.000 0.526 629 T N 0.117 114.166 114.554 -0.843 0.000 2.654 629 T HA 0.400 4.750 4.350 -0.000 0.000 0.289 629 T C -1.507 172.691 174.700 -0.838 0.000 1.062 629 T CA -0.942 60.672 62.100 -0.809 0.000 1.041 629 T CB 1.029 69.284 68.868 -1.022 0.000 1.417 629 T HN 0.272 nan 8.240 nan 0.000 0.510 630 N N 0.030 118.338 118.700 -0.653 0.000 2.524 630 N HA 0.547 5.287 4.740 -0.000 0.000 0.283 630 N C -1.516 173.561 175.510 -0.723 0.000 1.142 630 N CA -0.294 52.459 53.050 -0.495 0.000 0.984 630 N CB 0.716 39.068 38.487 -0.226 0.000 1.155 630 N HN 0.398 nan 8.380 nan 0.000 0.467 631 Y N 0.000 120.186 120.300 -0.190 0.000 2.570 631 Y HA 0.436 4.986 4.550 -0.000 0.000 0.345 631 Y C -2.159 173.669 175.900 -0.120 0.000 1.014 631 Y CA -2.447 55.547 58.100 -0.176 0.000 1.063 631 Y CB 0.879 39.217 38.460 -0.203 0.000 1.272 631 Y HN 0.428 nan 8.280 nan 0.000 0.477 632 P HA -0.015 nan 4.420 nan 0.000 0.266 632 P C 0.083 177.399 177.300 0.027 0.000 1.193 632 P CA 0.317 63.428 63.100 0.019 0.000 0.770 632 P CB 0.828 32.535 31.700 0.012 0.000 0.836 633 D N 2.046 122.449 120.400 0.005 0.000 2.154 633 D HA -0.233 4.407 4.640 -0.000 0.000 0.190 633 D C 1.567 177.880 176.300 0.022 0.000 1.003 633 D CA 1.718 55.720 54.000 0.003 0.000 0.849 633 D CB -0.729 40.064 40.800 -0.012 0.000 0.942 633 D HN 0.535 nan 8.370 nan 0.000 0.446 634 N N 1.092 119.807 118.700 0.026 0.000 2.205 634 N HA -0.141 4.599 4.740 -0.000 0.000 0.186 634 N C 1.786 177.338 175.510 0.070 0.000 1.015 634 N CA 1.064 54.144 53.050 0.050 0.000 0.862 634 N CB -0.753 37.760 38.487 0.044 0.000 0.986 634 N HN 0.190 nan 8.380 nan 0.000 0.429 635 V N 0.621 120.553 119.914 0.031 0.000 2.379 635 V HA -0.107 4.013 4.120 -0.000 0.000 0.245 635 V C 2.659 178.773 176.094 0.032 0.000 1.044 635 V CA 0.991 63.286 62.300 -0.008 0.000 1.036 635 V CB -0.368 31.407 31.823 -0.079 0.000 0.664 635 V HN 0.138 nan 8.190 nan 0.000 0.453 636 V N -0.080 119.847 119.914 0.022 0.000 2.343 636 V HA -0.266 3.854 4.120 -0.000 0.000 0.247 636 V C 2.425 178.577 176.094 0.098 0.000 1.051 636 V CA 2.015 64.333 62.300 0.031 0.000 1.036 636 V CB -0.681 31.148 31.823 0.009 0.000 0.654 636 V HN 0.538 nan 8.190 nan 0.000 0.451 637 K N -0.958 119.489 120.400 0.078 0.000 2.057 637 K HA -0.223 4.097 4.320 -0.000 0.000 0.207 637 K C 2.177 178.843 176.600 0.110 0.000 1.049 637 K CA 1.990 58.318 56.287 0.069 0.000 0.931 637 K CB -0.407 32.123 32.500 0.051 0.000 0.714 637 K HN 0.533 nan 8.250 nan 0.000 0.440 638 Y N 0.533 120.858 120.300 0.041 0.000 2.145 638 Y HA -0.284 4.266 4.550 -0.000 0.000 0.286 638 Y C 2.065 178.016 175.900 0.086 0.000 1.145 638 Y CA 1.535 59.668 58.100 0.054 0.000 1.148 638 Y CB -0.292 38.190 38.460 0.037 0.000 0.981 638 Y HN 0.033 nan 8.280 nan 0.000 0.507 639 F N -0.388 119.644 119.950 0.137 0.000 2.102 639 F HA -0.227 4.300 4.527 -0.000 0.000 0.298 639 F C 2.146 178.028 175.800 0.137 0.000 1.105 639 F CA 1.864 59.938 58.000 0.123 0.000 1.239 639 F CB -0.769 38.239 39.000 0.012 0.000 0.991 639 F HN -0.116 nan 8.300 nan 0.000 0.474 640 V N 0.399 120.377 119.914 0.107 0.000 2.332 640 V HA -0.328 3.792 4.120 -0.000 0.000 0.248 640 V C 2.698 178.745 176.094 -0.079 0.000 1.055 640 V CA 2.147 64.438 62.300 -0.014 0.000 1.038 640 V CB -1.227 30.526 31.823 -0.117 0.000 0.651 640 V HN 0.401 nan 8.190 nan 0.000 0.450 641 R N -0.496 119.943 120.500 -0.102 0.000 2.083 641 R HA -0.197 4.143 4.340 -0.000 0.000 0.237 641 R C 2.316 178.552 176.300 -0.107 0.000 1.137 641 R CA 2.062 58.092 56.100 -0.117 0.000 0.951 641 R CB -0.896 29.300 30.300 -0.173 0.000 0.851 641 R HN 0.737 nan 8.270 nan 0.000 0.434 642 Q N -0.010 119.680 119.800 -0.184 0.000 2.079 642 Q HA 0.116 4.456 4.340 -0.000 0.000 0.200 642 Q C 2.431 178.470 176.000 0.064 0.000 0.974 642 Q CA 1.916 57.675 55.803 -0.073 0.000 0.840 642 Q CB -0.983 27.655 28.738 -0.166 0.000 0.898 642 Q HN 0.621 nan 8.270 nan 0.000 0.430 643 A N 1.319 124.154 122.820 0.026 0.000 1.908 643 A HA -0.121 4.199 4.320 -0.000 0.000 0.218 643 A C 2.359 179.989 177.584 0.075 0.000 1.181 643 A CA 2.131 54.204 52.037 0.060 0.000 0.627 643 A CB -0.760 18.329 19.000 0.148 0.000 0.818 643 A HN 0.369 nan 8.150 nan 0.000 0.445 644 A N -0.293 122.664 122.820 0.227 0.000 1.877 644 A HA -0.171 4.149 4.320 -0.000 0.000 0.216 644 A C 2.127 179.751 177.584 0.067 0.000 1.186 644 A CA 1.854 54.007 52.037 0.192 0.000 0.620 644 A CB -0.459 18.651 19.000 0.182 0.000 0.822 644 A HN 0.538 nan 8.150 nan 0.000 0.443 645 K N -0.927 119.522 120.400 0.081 0.000 2.097 645 K HA -0.094 4.226 4.320 -0.000 0.000 0.206 645 K C 1.970 178.663 176.600 0.154 0.000 1.049 645 K CA 1.052 57.410 56.287 0.120 0.000 0.933 645 K CB -0.393 32.217 32.500 0.182 0.000 0.717 645 K HN 0.481 nan 8.250 nan 0.000 0.442 646 G N -0.364 108.463 108.800 0.044 0.000 2.534 646 G HA2 -0.019 3.941 3.960 -0.000 0.000 0.217 646 G HA3 -0.019 3.941 3.960 -0.000 0.000 0.217 646 G C 0.858 175.644 174.900 -0.190 0.000 1.128 646 G CA 0.838 45.853 45.100 -0.141 0.000 0.784 646 G HN 0.468 nan 8.290 nan 0.000 0.542 647 G N -0.841 107.838 108.800 -0.202 0.000 2.559 647 G HA2 -0.133 3.827 3.960 -0.000 0.000 0.202 647 G HA3 -0.133 3.827 3.960 -0.000 0.000 0.202 647 G C 0.104 174.831 174.900 -0.290 0.000 0.992 647 G CA -0.390 44.577 45.100 -0.222 0.000 0.764 647 G HN 0.163 nan 8.290 nan 0.000 0.525 648 I N 2.124 122.480 120.570 -0.357 0.000 2.496 648 I HA 0.279 4.449 4.170 -0.000 0.000 0.285 648 I C 0.373 176.304 176.117 -0.310 0.000 1.080 648 I CA 0.127 61.157 61.300 -0.450 0.000 1.404 648 I CB 1.098 38.641 38.000 -0.762 0.000 1.403 648 I HN 0.039 nan 8.210 nan 0.000 0.539 649 D N 4.887 125.122 120.400 -0.276 0.000 2.431 649 D HA 0.176 4.816 4.640 -0.000 0.000 0.227 649 D C 0.379 176.638 176.300 -0.068 0.000 1.030 649 D CA 0.582 54.496 54.000 -0.144 0.000 0.897 649 D CB 1.402 42.096 40.800 -0.176 0.000 1.058 649 D HN 0.295 nan 8.370 nan 0.000 0.500 650 L N 1.037 122.171 121.223 -0.149 0.000 2.406 650 L HA 0.349 4.689 4.340 -0.000 0.000 0.270 650 L C -1.518 175.330 176.870 -0.036 0.000 0.982 650 L CA -0.565 54.289 54.840 0.024 0.000 0.843 650 L CB 1.240 43.326 42.059 0.045 0.000 1.225 650 L HN -0.292 nan 8.230 nan 0.000 0.412 651 F N 4.204 124.217 119.950 0.105 0.000 2.361 651 F HA 0.444 4.971 4.527 -0.000 0.000 0.364 651 F C 0.523 176.395 175.800 0.120 0.000 1.120 651 F CA -0.501 57.568 58.000 0.116 0.000 1.102 651 F CB 1.162 40.231 39.000 0.116 0.000 1.183 651 F HN 0.391 nan 8.300 nan 0.000 0.476 652 R N 4.013 124.654 120.500 0.235 0.000 2.210 652 R HA 0.526 4.866 4.340 -0.000 0.000 0.338 652 R C -1.464 174.989 176.300 0.255 0.000 1.062 652 R CA -0.296 55.916 56.100 0.186 0.000 0.902 652 R CB 0.482 30.815 30.300 0.055 0.000 1.050 652 R HN 0.509 nan 8.270 nan 0.000 0.461 653 V N 6.676 126.739 119.914 0.247 0.000 2.427 653 V HA 0.509 4.628 4.120 -0.000 0.000 0.286 653 V C -0.246 176.013 176.094 0.275 0.000 1.034 653 V CA -0.637 61.800 62.300 0.229 0.000 0.893 653 V CB 0.909 32.807 31.823 0.126 0.000 0.982 653 V HN 0.697 nan 8.190 nan 0.000 0.452 654 F N 1.308 121.302 119.950 0.073 0.000 2.629 654 F HA 0.893 5.420 4.527 -0.000 0.000 0.316 654 F C -1.048 174.801 175.800 0.081 0.000 1.081 654 F CA -1.070 56.978 58.000 0.080 0.000 0.954 654 F CB 2.046 41.093 39.000 0.079 0.000 1.337 654 F HN 0.474 nan 8.300 nan 0.000 0.474 655 D N 0.605 121.013 120.400 0.014 0.000 2.646 655 D HA 0.303 4.943 4.640 -0.000 0.000 0.245 655 D C 0.528 176.926 176.300 0.163 0.000 1.099 655 D CA -0.665 53.298 54.000 -0.061 0.000 0.849 655 D CB 1.888 42.725 40.800 0.060 0.000 1.448 655 D HN 0.921 nan 8.370 nan 0.000 0.489 656 C N 2.956 122.331 119.300 0.126 0.000 2.449 656 C HA 0.170 4.630 4.460 -0.000 0.000 0.283 656 C C 1.401 176.515 174.990 0.206 0.000 1.453 656 C CA -0.152 59.015 59.018 0.249 0.000 1.779 656 C CB -1.416 26.448 27.740 0.206 0.000 1.779 656 C HN 0.620 nan 8.230 nan 0.000 0.546 657 L N 0.177 121.515 121.223 0.191 0.000 2.959 657 L HA 0.279 4.619 4.340 -0.000 0.000 0.259 657 L C 0.225 177.218 176.870 0.205 0.000 1.185 657 L CA -0.158 54.777 54.840 0.158 0.000 0.998 657 L CB -0.466 41.640 42.059 0.078 0.000 1.337 657 L HN 0.172 nan 8.230 nan 0.000 0.555 658 N N 0.170 119.017 118.700 0.245 0.000 2.721 658 N HA -0.229 4.511 4.740 -0.000 0.000 0.249 658 N C -0.732 174.936 175.510 0.263 0.000 1.072 658 N CA 0.681 53.878 53.050 0.245 0.000 0.710 658 N CB -1.031 37.618 38.487 0.270 0.000 0.993 658 N HN 0.407 nan 8.380 nan 0.000 0.547 659 W N 1.094 122.414 121.300 0.034 0.000 2.367 659 W HA 0.439 5.099 4.660 -0.000 0.000 0.329 659 W C 1.041 177.556 176.519 -0.007 0.000 1.066 659 W CA -0.997 56.349 57.345 0.001 0.000 1.435 659 W CB 0.064 29.520 29.460 -0.007 0.000 1.296 659 W HN -0.055 nan 8.180 nan 0.000 0.401 660 V N 4.652 124.612 119.914 0.077 0.000 2.332 660 V HA -0.330 3.790 4.120 -0.000 0.000 0.248 660 V C 2.182 178.102 176.094 -0.289 0.000 1.055 660 V CA 2.525 64.776 62.300 -0.081 0.000 1.038 660 V CB -0.784 31.015 31.823 -0.040 0.000 0.651 660 V HN 0.664 nan 8.190 nan 0.000 0.450 661 E N 0.459 120.297 120.200 -0.604 0.000 2.114 661 E HA -0.311 4.039 4.350 -0.000 0.000 0.199 661 E C 1.943 178.132 176.600 -0.684 0.000 1.008 661 E CA 1.770 57.704 56.400 -0.777 0.000 0.810 661 E CB -0.178 28.730 29.700 -1.320 0.000 0.739 661 E HN 0.557 nan 8.360 nan 0.000 0.456 662 N N -0.847 117.419 118.700 -0.724 0.000 2.515 662 N HA 0.008 4.748 4.740 -0.000 0.000 0.185 662 N C 1.003 176.392 175.510 -0.201 0.000 1.109 662 N CA 0.566 53.392 53.050 -0.374 0.000 0.903 662 N CB 0.173 38.585 38.487 -0.126 0.000 0.969 662 N HN 0.269 nan 8.380 nan 0.000 0.450 663 M N -0.965 118.524 119.600 -0.185 0.000 2.461 663 M HA 0.171 4.651 4.480 -0.000 0.000 0.255 663 M C 1.559 177.791 176.300 -0.113 0.000 1.137 663 M CA 0.037 55.267 55.300 -0.116 0.000 1.086 663 M CB 0.435 32.995 32.600 -0.065 0.000 1.356 663 M HN -0.028 nan 8.290 nan 0.000 0.487 664 R N 0.139 120.553 120.500 -0.143 0.000 2.096 664 R HA -0.064 4.276 4.340 -0.000 0.000 0.235 664 R C 2.099 178.339 176.300 -0.100 0.000 1.127 664 R CA 1.232 57.261 56.100 -0.118 0.000 0.968 664 R CB -0.858 29.364 30.300 -0.130 0.000 0.861 664 R HN 0.229 nan 8.270 nan 0.000 0.440 665 V N 0.985 120.838 119.914 -0.103 0.000 2.287 665 V HA -0.268 3.852 4.120 -0.000 0.000 0.248 665 V C 2.299 178.349 176.094 -0.072 0.000 1.053 665 V CA 2.066 64.319 62.300 -0.078 0.000 1.027 665 V CB -0.376 31.405 31.823 -0.070 0.000 0.646 665 V HN 0.304 nan 8.190 nan 0.000 0.447 666 S N -0.819 114.835 115.700 -0.076 0.000 2.368 666 S HA -0.131 4.339 4.470 -0.000 0.000 0.224 666 S C 1.930 176.468 174.600 -0.103 0.000 1.029 666 S CA 1.662 59.815 58.200 -0.079 0.000 0.988 666 S CB -0.305 62.859 63.200 -0.060 0.000 0.838 666 S HN 0.465 nan 8.310 nan 0.000 0.462 667 M N 1.323 120.872 119.600 -0.085 0.000 2.080 667 M HA -0.177 4.303 4.480 -0.000 0.000 0.260 667 M C 1.638 177.882 176.300 -0.093 0.000 1.068 667 M CA 1.440 56.689 55.300 -0.085 0.000 1.109 667 M CB -0.661 31.894 32.600 -0.074 0.000 1.342 667 M HN 0.150 nan 8.290 nan 0.000 0.405 668 D N 0.464 120.815 120.400 -0.081 0.000 2.117 668 D HA -0.066 4.574 4.640 -0.000 0.000 0.198 668 D C 2.031 178.290 176.300 -0.069 0.000 0.982 668 D CA 1.610 55.570 54.000 -0.066 0.000 0.828 668 D CB -0.290 40.476 40.800 -0.056 0.000 0.967 668 D HN 0.336 nan 8.370 nan 0.000 0.464 669 A N 0.700 123.468 122.820 -0.085 0.000 1.908 669 A HA -0.163 4.157 4.320 -0.000 0.000 0.218 669 A C 2.367 179.857 177.584 -0.157 0.000 1.181 669 A CA 1.029 53.005 52.037 -0.101 0.000 0.627 669 A CB -0.763 18.177 19.000 -0.100 0.000 0.818 669 A HN 0.204 nan 8.150 nan 0.000 0.445 670 I N -0.294 120.141 120.570 -0.226 0.000 2.179 670 I HA -0.285 3.885 4.170 -0.000 0.000 0.242 670 I C 2.986 179.053 176.117 -0.082 0.000 1.088 670 I CA 1.122 62.238 61.300 -0.307 0.000 1.357 670 I CB -0.365 37.429 38.000 -0.344 0.000 1.051 670 I HN 0.352 nan 8.210 nan 0.000 0.409 671 A N 0.411 123.221 122.820 -0.016 0.000 1.940 671 A HA -0.280 4.040 4.320 -0.000 0.000 0.219 671 A C 2.203 179.813 177.584 0.044 0.000 1.176 671 A CA 2.108 54.193 52.037 0.080 0.000 0.631 671 A CB -0.601 18.419 19.000 0.035 0.000 0.814 671 A HN 0.448 nan 8.150 nan 0.000 0.446 672 E N 0.378 120.576 120.200 -0.005 0.000 2.160 672 E HA -0.174 4.176 4.350 -0.000 0.000 0.195 672 E C 1.428 178.023 176.600 -0.008 0.000 0.991 672 E CA 1.504 57.900 56.400 -0.008 0.000 0.810 672 E CB -0.133 29.553 29.700 -0.023 0.000 0.742 672 E HN 0.527 nan 8.360 nan 0.000 0.466 673 E N 0.167 120.355 120.200 -0.020 0.000 2.489 673 E HA -0.003 4.347 4.350 -0.000 0.000 0.193 673 E C 0.158 176.769 176.600 0.018 0.000 1.057 673 E CA 0.325 56.720 56.400 -0.009 0.000 0.866 673 E CB -0.232 29.452 29.700 -0.026 0.000 0.916 673 E HN 0.284 nan 8.360 nan 0.000 0.500 674 N N 1.023 119.741 118.700 0.029 0.000 2.754 674 N HA -0.145 4.595 4.740 -0.000 0.000 0.248 674 N C -0.787 174.741 175.510 0.031 0.000 1.093 674 N CA 0.580 53.647 53.050 0.028 0.000 0.699 674 N CB -0.401 38.089 38.487 0.004 0.000 1.016 674 N HN -0.055 nan 8.380 nan 0.000 0.552 675 K N -0.114 120.339 120.400 0.089 0.000 2.280 675 K HA 0.507 4.827 4.320 -0.000 0.000 0.234 675 K C 0.304 177.023 176.600 0.198 0.000 1.028 675 K CA -0.801 55.576 56.287 0.149 0.000 0.882 675 K CB 0.624 33.323 32.500 0.332 0.000 1.194 675 K HN 0.141 nan 8.250 nan 0.000 0.458 676 L N 0.817 122.181 121.223 0.236 0.000 2.331 676 L HA 0.208 4.548 4.340 -0.000 0.000 0.278 676 L C 0.147 177.295 176.870 0.462 0.000 1.106 676 L CA -0.612 54.429 54.840 0.335 0.000 0.824 676 L CB 0.913 43.114 42.059 0.237 0.000 1.142 676 L HN 0.474 nan 8.230 nan 0.000 0.443 677 C N 4.821 124.449 119.300 0.547 0.000 2.239 677 C HA 0.293 4.753 4.460 -0.000 0.000 0.323 677 C C 0.263 175.384 174.990 0.218 0.000 1.205 677 C CA -0.575 58.596 59.018 0.255 0.000 1.584 677 C CB -0.098 27.640 27.740 -0.003 0.000 2.201 677 C HN 0.866 nan 8.230 nan 0.000 0.475 678 E N 4.521 124.866 120.200 0.241 0.000 2.063 678 E HA 0.573 4.922 4.350 -0.000 0.000 0.265 678 E C -0.242 176.466 176.600 0.181 0.000 0.919 678 E CA -0.232 56.302 56.400 0.224 0.000 0.756 678 E CB 0.976 30.825 29.700 0.247 0.000 1.120 678 E HN 0.868 nan 8.360 nan 0.000 0.414 679 A N 3.698 126.607 122.820 0.149 0.000 2.309 679 A HA 0.620 4.940 4.320 -0.000 0.000 0.290 679 A C -0.030 177.652 177.584 0.163 0.000 1.206 679 A CA -0.235 51.881 52.037 0.133 0.000 0.850 679 A CB 0.809 19.859 19.000 0.083 0.000 1.118 679 A HN 0.683 nan 8.150 nan 0.000 0.523 680 A N 3.035 125.970 122.820 0.191 0.000 2.310 680 A HA 0.684 5.004 4.320 -0.000 0.000 0.299 680 A C -0.230 177.497 177.584 0.239 0.000 1.147 680 A CA -0.397 51.770 52.037 0.217 0.000 0.818 680 A CB 0.162 19.292 19.000 0.217 0.000 1.096 680 A HN 0.767 nan 8.150 nan 0.000 0.495 681 I N 1.715 122.441 120.570 0.260 0.000 2.362 681 I HA 0.210 4.380 4.170 -0.000 0.000 0.289 681 I C -0.444 175.890 176.117 0.363 0.000 0.994 681 I CA -0.427 61.056 61.300 0.305 0.000 1.158 681 I CB 1.374 39.575 38.000 0.336 0.000 1.315 681 I HN 0.505 nan 8.210 nan 0.000 0.451 682 C N 5.663 125.180 119.300 0.362 0.000 2.585 682 C HA 0.173 4.633 4.460 -0.000 0.000 0.406 682 C C 0.160 175.410 174.990 0.432 0.000 1.312 682 C CA -0.294 58.928 59.018 0.339 0.000 1.924 682 C CB -0.586 27.317 27.740 0.273 0.000 2.578 682 C HN 0.546 nan 8.230 nan 0.000 0.580 683 Y N 2.059 122.511 120.300 0.253 0.000 2.308 683 Y HA 0.557 5.107 4.550 -0.000 0.000 0.329 683 Y C 0.568 176.541 175.900 0.123 0.000 1.111 683 Y CA 0.612 58.835 58.100 0.204 0.000 1.179 683 Y CB 1.095 39.592 38.460 0.061 0.000 1.201 683 Y HN 0.764 nan 8.280 nan 0.000 0.483 684 T N 3.314 117.531 114.554 -0.561 0.000 2.792 684 T HA 0.580 4.930 4.350 -0.000 0.000 0.303 684 T C -0.083 174.244 174.700 -0.623 0.000 1.310 684 T CA 0.242 62.050 62.100 -0.488 0.000 1.007 684 T CB 0.616 69.182 68.868 -0.505 0.000 1.335 684 T HN 1.407 nan 8.240 nan 0.000 0.504 685 G N 2.149 110.776 108.800 -0.288 0.000 2.550 685 G HA2 -0.041 3.919 3.960 -0.000 0.000 0.277 685 G HA3 -0.041 3.919 3.960 -0.000 0.000 0.277 685 G C -0.747 174.129 174.900 -0.040 0.000 1.190 685 G CA 0.784 45.822 45.100 -0.104 0.000 0.971 685 G HN 1.102 nan 8.290 nan 0.000 0.559 686 D N -0.548 119.872 120.400 0.035 0.000 2.369 686 D HA 0.319 4.959 4.640 -0.000 0.000 0.212 686 D C 1.339 177.731 176.300 0.154 0.000 1.326 686 D CA 0.128 54.219 54.000 0.152 0.000 0.933 686 D CB 0.200 41.071 40.800 0.118 0.000 1.516 686 D HN 1.034 nan 8.370 nan 0.000 0.557 687 I N 0.645 121.353 120.570 0.231 0.000 2.614 687 I HA -0.017 4.153 4.170 -0.000 0.000 0.258 687 I C 1.179 177.369 176.117 0.122 0.000 1.189 687 I CA 0.790 62.211 61.300 0.202 0.000 1.462 687 I CB -0.098 38.047 38.000 0.241 0.000 1.092 687 I HN 0.290 nan 8.210 nan 0.000 0.442 688 L N 0.994 122.275 121.223 0.097 0.000 2.611 688 L HA 0.211 4.551 4.340 -0.000 0.000 0.229 688 L C 0.396 177.290 176.870 0.041 0.000 1.137 688 L CA 0.002 54.875 54.840 0.055 0.000 0.901 688 L CB -0.659 41.421 42.059 0.035 0.000 1.098 688 L HN 0.268 nan 8.230 nan 0.000 0.456 689 N N 0.286 119.015 118.700 0.050 0.000 2.546 689 N HA 0.026 4.766 4.740 -0.000 0.000 0.238 689 N C 0.911 176.439 175.510 0.030 0.000 0.984 689 N CA -0.065 53.005 53.050 0.033 0.000 0.935 689 N CB 1.281 39.790 38.487 0.036 0.000 1.122 689 N HN 0.020 nan 8.380 nan 0.000 0.510 690 S N 1.765 117.477 115.700 0.020 0.000 2.660 690 S HA 0.073 4.543 4.470 -0.000 0.000 0.223 690 S C 1.135 175.739 174.600 0.006 0.000 0.963 690 S CA 0.268 58.476 58.200 0.014 0.000 0.932 690 S CB 0.022 63.228 63.200 0.010 0.000 0.775 690 S HN 0.467 nan 8.310 nan 0.000 0.531 691 A N 0.238 123.063 122.820 0.008 0.000 2.390 691 A HA 0.641 4.961 4.320 -0.000 0.000 0.232 691 A C 1.348 178.935 177.584 0.004 0.000 1.233 691 A CA 0.090 52.129 52.037 0.003 0.000 0.907 691 A CB -0.100 18.903 19.000 0.004 0.000 0.967 691 A HN 0.639 nan 8.150 nan 0.000 0.512 692 R N 1.092 121.599 120.500 0.011 0.000 2.835 692 R HA 0.488 4.828 4.340 -0.000 0.000 0.290 692 R C -2.052 174.241 176.300 -0.011 0.000 1.410 692 R CA -0.542 55.565 56.100 0.012 0.000 1.590 692 R CB -0.896 nan 30.300 nan 0.000 1.288 692 R HN 0.355 nan 8.270 nan 0.000 0.637 693 P HA -0.082 nan 4.420 nan 0.000 0.241 693 P C 0.906 178.127 177.300 -0.132 0.000 1.191 693 P CA 0.430 63.498 63.100 -0.053 0.000 0.771 693 P CB 0.408 32.081 31.700 -0.044 0.000 0.929 694 K N 0.255 120.518 120.400 -0.229 0.000 2.074 694 K HA -0.161 4.159 4.320 -0.000 0.000 0.209 694 K C 0.206 176.329 176.600 -0.794 0.000 1.048 694 K CA 1.320 57.307 56.287 -0.500 0.000 0.926 694 K CB -0.340 31.769 32.500 -0.653 0.000 0.713 694 K HN 0.102 nan 8.250 nan 0.000 0.444 695 Y N 2.016 122.108 120.300 -0.347 0.000 2.850 695 Y HA 0.153 4.703 4.550 -0.000 0.000 0.360 695 Y C -0.523 175.310 175.900 -0.111 0.000 1.174 695 Y CA -1.582 56.200 58.100 -0.530 0.000 1.373 695 Y CB -0.093 38.064 38.460 -0.505 0.000 1.487 695 Y HN 0.197 nan 8.280 nan 0.000 0.553 696 D N -1.083 119.340 120.400 0.038 0.000 2.506 696 D HA 0.042 4.682 4.640 -0.000 0.000 0.272 696 D C 1.286 177.760 176.300 0.290 0.000 1.214 696 D CA -0.630 53.460 54.000 0.149 0.000 1.067 696 D CB 0.695 41.534 40.800 0.065 0.000 1.117 696 D HN 0.212 nan 8.370 nan 0.000 0.578 697 L N 0.019 121.389 121.223 0.246 0.000 2.012 697 L HA -0.157 4.183 4.340 -0.000 0.000 0.210 697 L C 2.340 179.351 176.870 0.235 0.000 1.073 697 L CA 2.039 57.042 54.840 0.272 0.000 0.748 697 L CB -0.837 41.309 42.059 0.144 0.000 0.891 697 L HN 0.376 nan 8.230 nan 0.000 0.431 698 K N -1.529 118.956 120.400 0.142 0.000 2.147 698 K HA -0.247 4.073 4.320 -0.000 0.000 0.205 698 K C 2.123 178.764 176.600 0.069 0.000 1.049 698 K CA 1.491 57.831 56.287 0.088 0.000 0.936 698 K CB -1.019 31.512 32.500 0.051 0.000 0.722 698 K HN 0.679 nan 8.250 nan 0.000 0.446 699 Y N -0.172 120.086 120.300 -0.071 0.000 2.102 699 Y HA -0.349 4.201 4.550 -0.000 0.000 0.280 699 Y C 1.909 177.669 175.900 -0.233 0.000 1.178 699 Y CA 2.312 60.286 58.100 -0.209 0.000 1.146 699 Y CB -0.453 37.788 38.460 -0.364 0.000 0.968 699 Y HN 0.322 nan 8.280 nan 0.000 0.504 700 Y N -0.251 120.129 120.300 0.133 0.000 2.220 700 Y HA -0.154 4.396 4.550 -0.000 0.000 0.291 700 Y C 2.920 178.810 175.900 -0.016 0.000 1.129 700 Y CA 1.787 59.915 58.100 0.047 0.000 1.161 700 Y CB -1.117 37.437 38.460 0.157 0.000 0.997 700 Y HN 0.278 nan 8.280 nan 0.000 0.522 701 T N -2.328 112.307 114.554 0.135 0.000 2.904 701 T HA -0.119 4.231 4.350 -0.000 0.000 0.267 701 T C 1.679 176.388 174.700 0.016 0.000 1.059 701 T CA 1.319 63.463 62.100 0.073 0.000 1.137 701 T CB -0.420 68.486 68.868 0.063 0.000 0.879 701 T HN 0.170 nan 8.240 nan 0.000 0.467 702 N N 1.665 120.349 118.700 -0.027 0.000 2.120 702 N HA 0.061 4.801 4.740 -0.000 0.000 0.188 702 N C 1.884 177.345 175.510 -0.081 0.000 1.024 702 N CA 0.960 53.975 53.050 -0.057 0.000 0.852 702 N CB -0.608 37.832 38.487 -0.079 0.000 1.003 702 N HN 0.381 nan 8.380 nan 0.000 0.424 703 L N 0.584 121.719 121.223 -0.147 0.000 2.046 703 L HA -0.135 4.205 4.340 -0.000 0.000 0.208 703 L C 2.342 179.198 176.870 -0.023 0.000 1.077 703 L CA 1.157 55.922 54.840 -0.125 0.000 0.747 703 L CB -0.423 41.507 42.059 -0.216 0.000 0.896 703 L HN 0.129 nan 8.230 nan 0.000 0.432 704 A N -0.486 122.345 122.820 0.018 0.000 1.902 704 A HA -0.158 4.162 4.320 -0.000 0.000 0.217 704 A C 2.300 179.904 177.584 0.033 0.000 1.181 704 A CA 1.787 53.856 52.037 0.053 0.000 0.623 704 A CB -0.835 18.210 19.000 0.075 0.000 0.818 704 A HN 0.198 nan 8.150 nan 0.000 0.443 705 V N 0.340 120.265 119.914 0.018 0.000 2.287 705 V HA -0.236 3.884 4.120 -0.000 0.000 0.248 705 V C 2.572 178.667 176.094 0.002 0.000 1.053 705 V CA 2.211 64.518 62.300 0.012 0.000 1.027 705 V CB -0.749 31.077 31.823 0.006 0.000 0.646 705 V HN 0.505 nan 8.190 nan 0.000 0.447 706 E N -0.016 120.178 120.200 -0.009 0.000 2.106 706 E HA -0.113 4.237 4.350 -0.000 0.000 0.192 706 E C 2.183 178.776 176.600 -0.011 0.000 0.984 706 E CA 0.997 57.389 56.400 -0.014 0.000 0.806 706 E CB -0.294 29.391 29.700 -0.024 0.000 0.750 706 E HN 0.535 nan 8.360 nan 0.000 0.458 707 L N 0.578 121.801 121.223 -0.000 0.000 2.093 707 L HA -0.128 4.212 4.340 -0.000 0.000 0.208 707 L C 2.591 179.463 176.870 0.002 0.000 1.085 707 L CA 1.049 55.892 54.840 0.005 0.000 0.755 707 L CB -0.313 41.765 42.059 0.033 0.000 0.904 707 L HN 0.133 nan 8.230 nan 0.000 0.435 708 E N 0.783 120.992 120.200 0.014 0.000 2.085 708 E HA -0.264 4.086 4.350 -0.000 0.000 0.194 708 E C 2.082 178.681 176.600 -0.002 0.000 0.994 708 E CA 1.401 57.809 56.400 0.013 0.000 0.801 708 E CB 0.131 29.847 29.700 0.027 0.000 0.743 708 E HN 0.386 nan 8.360 nan 0.000 0.453 709 K N -0.305 120.093 120.400 -0.004 0.000 2.211 709 K HA -0.058 4.262 4.320 -0.000 0.000 0.203 709 K C 1.817 178.404 176.600 -0.022 0.000 1.050 709 K CA 0.846 57.127 56.287 -0.010 0.000 0.945 709 K CB 0.038 32.532 32.500 -0.009 0.000 0.732 709 K HN 0.094 nan 8.250 nan 0.000 0.451 710 A N 0.440 123.241 122.820 -0.030 0.000 2.238 710 A HA 0.178 4.498 4.320 -0.000 0.000 0.208 710 A C 1.252 178.798 177.584 -0.062 0.000 1.177 710 A CA 0.823 52.832 52.037 -0.046 0.000 0.804 710 A CB -0.267 18.703 19.000 -0.050 0.000 0.823 710 A HN 0.408 nan 8.150 nan 0.000 0.482 711 G N -2.101 106.660 108.800 -0.065 0.000 2.134 711 G HA2 0.154 4.114 3.960 -0.000 0.000 0.209 711 G HA3 0.154 4.114 3.960 -0.000 0.000 0.209 711 G C 0.385 175.150 174.900 -0.224 0.000 0.993 711 G CA 0.108 45.141 45.100 -0.112 0.000 0.669 711 G HN 1.528 nan 8.290 nan 0.000 0.519 712 A N -0.094 122.641 122.820 -0.143 0.000 2.483 712 A HA 0.544 4.864 4.320 -0.000 0.000 0.238 712 A C 1.181 178.668 177.584 -0.162 0.000 1.070 712 A CA 0.821 52.771 52.037 -0.146 0.000 0.770 712 A CB 0.140 19.135 19.000 -0.009 0.000 1.008 712 A HN 0.467 nan 8.150 nan 0.000 0.497 713 H N 0.885 120.023 119.070 0.113 0.000 2.520 713 H HA 0.316 4.872 4.556 -0.000 0.000 0.279 713 H C -0.071 175.345 175.328 0.147 0.000 0.990 713 H CA 0.904 57.031 56.048 0.132 0.000 1.288 713 H CB 0.200 30.059 29.762 0.162 0.000 1.446 713 H HN 0.549 nan 8.280 nan 0.000 0.538 714 I N 1.201 121.921 120.570 0.250 0.000 2.827 714 I HA 0.183 4.353 4.170 -0.000 0.000 0.298 714 I C -0.880 175.357 176.117 0.199 0.000 1.235 714 I CA -0.824 60.615 61.300 0.232 0.000 1.021 714 I CB 3.206 41.380 38.000 0.291 0.000 1.259 714 I HN -0.225 nan 8.210 nan 0.000 0.427 715 I N 3.641 124.329 120.570 0.197 0.000 2.359 715 I HA 0.617 4.787 4.170 -0.000 0.000 0.294 715 I C 0.375 176.643 176.117 0.251 0.000 0.987 715 I CA -0.442 60.975 61.300 0.195 0.000 1.225 715 I CB 1.446 39.548 38.000 0.170 0.000 1.366 715 I HN 0.638 nan 8.210 nan 0.000 0.466 716 A N 6.399 129.363 122.820 0.240 0.000 2.325 716 A HA 0.798 5.118 4.320 -0.000 0.000 0.333 716 A C -0.220 177.542 177.584 0.296 0.000 1.155 716 A CA -0.442 51.754 52.037 0.264 0.000 0.814 716 A CB 1.336 20.427 19.000 0.152 0.000 1.206 716 A HN 0.450 nan 8.150 nan 0.000 0.482 720 M N 0.125 119.842 119.600 0.194 0.000 2.374 720 M HA 0.162 4.642 4.480 -0.000 0.000 0.264 720 M C 1.046 177.265 176.300 -0.136 0.000 1.067 720 M CA 1.512 56.838 55.300 0.043 0.000 1.103 720 M CB -0.679 31.903 32.600 -0.029 0.000 1.402 720 M HN 0.231 nan 8.290 nan 0.000 0.444 721 A N 0.320 123.149 122.820 0.015 0.000 2.348 721 A HA 0.528 4.848 4.320 -0.000 0.000 0.224 721 A C 1.535 179.128 177.584 0.016 0.000 1.227 721 A CA 0.470 52.505 52.037 -0.003 0.000 0.885 721 A CB -0.627 18.408 19.000 0.058 0.000 0.933 721 A HN 0.841 nan 8.150 nan 0.000 0.506 722 G N -0.321 108.533 108.800 0.091 0.000 2.246 722 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.273 722 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.273 722 G C 0.535 175.482 174.900 0.077 0.000 1.055 722 G CA 0.553 45.700 45.100 0.078 0.000 0.851 722 G HN 0.490 nan 8.290 nan 0.000 0.500 723 L N -1.270 120.067 121.223 0.189 0.000 2.529 723 L HA 0.348 4.688 4.340 -0.000 0.000 0.223 723 L C 1.502 178.612 176.870 0.399 0.000 1.113 723 L CA -0.333 54.695 54.840 0.313 0.000 0.861 723 L CB 0.048 42.325 42.059 0.364 0.000 1.012 723 L HN 0.340 nan 8.230 nan 0.000 0.461 724 L N 1.594 122.931 121.223 0.190 0.000 2.410 724 L HA 0.149 4.489 4.340 -0.000 0.000 0.273 724 L C 0.138 177.045 176.870 0.061 0.000 1.144 724 L CA 0.372 55.139 54.840 -0.121 0.000 0.863 724 L CB 0.226 41.994 42.059 -0.484 0.000 1.140 724 L HN -0.016 nan 8.230 nan 0.000 0.463 725 K N 6.195 126.620 120.400 0.042 0.000 2.098 725 K HA 0.373 4.693 4.320 -0.000 0.000 0.258 725 K C -1.797 174.800 176.600 -0.005 0.000 0.973 725 K CA -1.504 54.810 56.287 0.045 0.000 0.898 725 K CB 0.839 33.342 32.500 0.006 0.000 1.057 725 K HN 0.359 nan 8.250 nan 0.000 0.447 726 P HA -0.230 nan 4.420 nan 0.000 0.215 726 P C 0.804 178.095 177.300 -0.015 0.000 1.153 726 P CA 1.373 64.474 63.100 0.002 0.000 0.853 726 P CB 0.145 31.853 31.700 0.013 0.000 0.788 727 A N -0.245 122.565 122.820 -0.016 0.000 1.930 727 A HA -0.068 4.252 4.320 -0.000 0.000 0.217 727 A C 2.303 179.871 177.584 -0.026 0.000 1.175 727 A CA 1.965 53.993 52.037 -0.016 0.000 0.627 727 A CB -1.527 17.464 19.000 -0.014 0.000 0.815 727 A HN 0.197 nan 8.150 nan 0.000 0.443 728 A N -0.111 122.686 122.820 -0.038 0.000 1.898 728 A HA 0.224 4.544 4.320 -0.000 0.000 0.216 728 A C 2.490 179.988 177.584 -0.143 0.000 1.181 728 A CA 1.825 53.823 52.037 -0.065 0.000 0.620 728 A CB -0.980 17.995 19.000 -0.042 0.000 0.819 728 A HN 1.018 nan 8.150 nan 0.000 0.442 729 A N 0.211 122.946 122.820 -0.141 0.000 1.908 729 A HA -0.224 4.096 4.320 -0.000 0.000 0.218 729 A C 2.122 179.725 177.584 0.032 0.000 1.181 729 A CA 2.185 54.169 52.037 -0.089 0.000 0.627 729 A CB -0.511 18.464 19.000 -0.041 0.000 0.818 729 A HN 0.601 nan 8.150 nan 0.000 0.445 730 K N -0.423 119.980 120.400 0.004 0.000 2.063 730 K HA -0.113 4.207 4.320 -0.000 0.000 0.208 730 K C 1.745 178.347 176.600 0.004 0.000 1.048 730 K CA 1.816 58.114 56.287 0.018 0.000 0.928 730 K CB -0.273 32.229 32.500 0.004 0.000 0.713 730 K HN 0.222 nan 8.250 nan 0.000 0.442 731 V N 1.279 121.176 119.914 -0.029 0.000 2.379 731 V HA -0.197 3.923 4.120 -0.000 0.000 0.245 731 V C 2.251 178.300 176.094 -0.075 0.000 1.044 731 V CA 1.390 63.670 62.300 -0.033 0.000 1.036 731 V CB -0.348 31.462 31.823 -0.023 0.000 0.664 731 V HN 0.360 nan 8.190 nan 0.000 0.453 732 L N -0.329 120.784 121.223 -0.182 0.000 1.994 732 L HA -0.097 4.242 4.340 -0.000 0.000 0.208 732 L C 2.179 178.807 176.870 -0.404 0.000 1.071 732 L CA 2.177 56.804 54.840 -0.355 0.000 0.745 732 L CB -0.680 40.987 42.059 -0.653 0.000 0.892 732 L HN 0.257 nan 8.230 nan 0.000 0.431 733 F N 0.080 119.961 119.950 -0.116 0.000 2.234 733 F HA -0.115 4.412 4.527 -0.000 0.000 0.299 733 F C 2.525 178.297 175.800 -0.046 0.000 1.087 733 F CA 1.535 59.481 58.000 -0.090 0.000 1.340 733 F CB -0.711 38.210 39.000 -0.132 0.000 1.031 733 F HN 0.110 nan 8.300 nan 0.000 0.500 734 K N 0.745 121.195 120.400 0.084 0.000 2.026 734 K HA -0.160 4.160 4.320 -0.000 0.000 0.208 734 K C 2.318 178.936 176.600 0.030 0.000 1.048 734 K CA 1.320 57.636 56.287 0.049 0.000 0.929 734 K CB -0.345 32.172 32.500 0.028 0.000 0.713 734 K HN 0.185 nan 8.250 nan 0.000 0.439 735 A N 1.430 124.253 122.820 0.005 0.000 1.902 735 A HA -0.124 4.196 4.320 -0.000 0.000 0.217 735 A C 2.163 179.759 177.584 0.019 0.000 1.181 735 A CA 1.312 53.354 52.037 0.009 0.000 0.623 735 A CB -0.661 18.341 19.000 0.003 0.000 0.818 735 A HN 0.338 nan 8.150 nan 0.000 0.443 736 L N -1.047 120.180 121.223 0.007 0.000 2.042 736 L HA -0.210 4.130 4.340 -0.000 0.000 0.210 736 L C 2.791 179.700 176.870 0.064 0.000 1.076 736 L CA 1.627 56.490 54.840 0.039 0.000 0.749 736 L CB -0.425 41.656 42.059 0.036 0.000 0.893 736 L HN 0.362 nan 8.230 nan 0.000 0.432 737 R N -0.354 120.190 120.500 0.073 0.000 2.235 737 R HA -0.099 4.241 4.340 -0.000 0.000 0.213 737 R C 1.896 178.221 176.300 0.042 0.000 1.059 737 R CA 0.678 56.817 56.100 0.064 0.000 0.997 737 R CB -0.039 30.301 30.300 0.066 0.000 0.884 737 R HN 0.478 nan 8.270 nan 0.000 0.462 738 E N 0.252 120.474 120.200 0.036 0.000 2.250 738 E HA -0.002 4.348 4.350 -0.000 0.000 0.192 738 E C 1.796 178.413 176.600 0.028 0.000 0.986 738 E CA 0.680 57.096 56.400 0.027 0.000 0.849 738 E CB 0.196 29.910 29.700 0.022 0.000 0.797 738 E HN 0.298 nan 8.360 nan 0.000 0.482 739 A N 0.647 123.487 122.820 0.033 0.000 1.970 739 A HA -0.006 4.314 4.320 -0.000 0.000 0.216 739 A C 1.445 179.050 177.584 0.035 0.000 1.170 739 A CA 0.997 53.053 52.037 0.033 0.000 0.645 739 A CB 0.263 19.285 19.000 0.037 0.000 0.816 739 A HN 0.181 nan 8.150 nan 0.000 0.447 740 T N -2.911 111.669 114.554 0.043 0.000 2.900 740 T HA 0.502 4.852 4.350 -0.000 0.000 0.295 740 T C 0.854 175.581 174.700 0.045 0.000 1.044 740 T CA 0.164 62.291 62.100 0.045 0.000 0.995 740 T CB 1.627 70.529 68.868 0.057 0.000 1.072 740 T HN 0.235 nan 8.240 nan 0.000 0.473 741 G N 2.610 111.435 108.800 0.041 0.000 2.813 741 G HA2 0.211 4.171 3.960 -0.000 0.000 0.209 741 G HA3 0.211 4.171 3.960 -0.000 0.000 0.209 741 G C 0.611 175.538 174.900 0.045 0.000 1.150 741 G CA -0.024 45.098 45.100 0.036 0.000 0.785 741 G HN 0.646 nan 8.290 nan 0.000 0.535 742 L N 1.715 122.974 121.223 0.061 0.000 2.467 742 L HA 0.217 4.557 4.340 -0.000 0.000 0.270 742 L C -1.632 175.286 176.870 0.079 0.000 1.205 742 L CA -1.658 53.230 54.840 0.080 0.000 0.828 742 L CB 0.620 42.738 42.059 0.098 0.000 1.101 742 L HN -0.002 nan 8.230 nan 0.000 0.479 743 P HA 0.163 nan 4.420 nan 0.000 0.272 743 P C -0.985 176.389 177.300 0.122 0.000 1.223 743 P CA -0.099 63.040 63.100 0.065 0.000 0.784 743 P CB 0.977 32.701 31.700 0.039 0.000 0.923 744 I N 1.658 122.305 120.570 0.128 0.000 2.530 744 I HA 0.355 4.525 4.170 -0.000 0.000 0.297 744 I C 0.141 176.397 176.117 0.232 0.000 1.011 744 I CA -0.489 60.941 61.300 0.217 0.000 1.107 744 I CB 1.250 39.415 38.000 0.275 0.000 1.285 744 I HN 0.544 nan 8.210 nan 0.000 0.436 745 H N 5.275 124.465 119.070 0.201 0.000 2.744 745 H HA 0.404 4.960 4.556 -0.000 0.000 0.339 745 H C -1.756 173.738 175.328 0.277 0.000 1.004 745 H CA -0.615 55.542 56.048 0.182 0.000 1.257 745 H CB 1.875 31.740 29.762 0.170 0.000 1.552 745 H HN 0.431 nan 8.280 nan 0.000 0.522 746 F N 5.562 125.689 119.950 0.294 0.000 2.426 746 F HA 0.277 4.804 4.527 -0.000 0.000 0.348 746 F C -1.236 174.653 175.800 0.148 0.000 1.124 746 F CA -0.682 57.412 58.000 0.157 0.000 1.008 746 F CB 0.637 39.556 39.000 -0.135 0.000 1.139 746 F HN 0.659 nan 8.300 nan 0.000 0.452 747 H N 3.675 122.549 119.070 -0.325 0.000 2.505 747 H HA 0.576 5.132 4.556 -0.000 0.000 0.338 747 H C -0.933 174.031 175.328 -0.607 0.000 1.057 747 H CA -0.055 55.708 56.048 -0.476 0.000 1.202 747 H CB 1.522 31.144 29.762 -0.233 0.000 1.466 747 H HN 0.762 nan 8.280 nan 0.000 0.499 748 T N 3.477 117.369 114.554 -1.103 0.000 2.812 748 T HA 0.357 4.707 4.350 -0.000 0.000 0.294 748 T C -1.469 172.852 174.700 -0.633 0.000 1.159 748 T CA -0.658 61.059 62.100 -0.638 0.000 1.008 748 T CB 0.995 69.557 68.868 -0.510 0.000 1.289 748 T HN 0.725 nan 8.240 nan 0.000 0.514 749 H N 1.001 119.897 119.070 -0.291 0.000 2.731 749 H HA 0.337 4.893 4.556 -0.000 0.000 0.368 749 H C -0.648 174.591 175.328 -0.148 0.000 1.168 749 H CA -0.553 55.367 56.048 -0.213 0.000 1.181 749 H CB 2.187 31.867 29.762 -0.138 0.000 1.743 749 H HN 0.583 nan 8.280 nan 0.000 0.547 750 D N 0.791 121.168 120.400 -0.038 0.000 2.491 750 D HA 0.054 4.694 4.640 -0.000 0.000 0.228 750 D C 0.955 177.220 176.300 -0.058 0.000 1.183 750 D CA 0.028 53.997 54.000 -0.052 0.000 0.827 750 D CB 0.203 40.962 40.800 -0.067 0.000 0.989 750 D HN 0.480 nan 8.370 nan 0.000 0.494 751 T N -1.323 113.188 114.554 -0.072 0.000 2.737 751 T HA -0.205 4.145 4.350 -0.000 0.000 0.269 751 T C 1.979 176.581 174.700 -0.164 0.000 1.040 751 T CA 1.740 63.750 62.100 -0.150 0.000 1.142 751 T CB -0.228 68.527 68.868 -0.189 0.000 0.861 751 T HN 0.318 nan 8.240 nan 0.000 0.456 752 S N 0.579 116.185 115.700 -0.157 0.000 2.481 752 S HA 0.228 4.698 4.470 -0.000 0.000 0.231 752 S C 1.980 176.570 174.600 -0.017 0.000 0.996 752 S CA 0.813 58.940 58.200 -0.121 0.000 0.942 752 S CB -0.595 62.547 63.200 -0.098 0.000 0.768 752 S HN 0.809 nan 8.310 nan 0.000 0.520 753 G N 1.738 110.525 108.800 -0.022 0.000 2.148 753 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.254 753 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.254 753 G C 0.441 175.355 174.900 0.025 0.000 0.981 753 G CA 0.491 45.591 45.100 -0.000 0.000 0.670 753 G HN 1.310 nan 8.290 nan 0.000 0.528 754 I N -3.955 116.643 120.570 0.046 0.000 4.160 754 I HA 0.744 4.914 4.170 -0.000 0.000 0.325 754 I C 1.790 177.945 176.117 0.064 0.000 1.455 754 I CA 0.601 61.938 61.300 0.062 0.000 1.142 754 I CB 0.241 38.297 38.000 0.093 0.000 1.262 754 I HN 0.113 nan 8.210 nan 0.000 0.483 755 A N 1.652 124.498 122.820 0.045 0.000 2.019 755 A HA 0.084 4.404 4.320 -0.000 0.000 0.219 755 A C 2.491 180.103 177.584 0.046 0.000 1.164 755 A CA 1.765 53.832 52.037 0.050 0.000 0.644 755 A CB -0.506 18.491 19.000 -0.006 0.000 0.805 755 A HN 0.635 nan 8.150 nan 0.000 0.449 756 A N -0.087 122.745 122.820 0.020 0.000 1.972 756 A HA 0.181 4.501 4.320 -0.000 0.000 0.219 756 A C 2.447 180.056 177.584 0.041 0.000 1.169 756 A CA 1.821 53.870 52.037 0.020 0.000 0.635 756 A CB -0.861 18.142 19.000 0.006 0.000 0.810 756 A HN 1.001 nan 8.150 nan 0.000 0.446 757 A N -0.706 122.142 122.820 0.045 0.000 1.883 757 A HA -0.122 4.198 4.320 -0.000 0.000 0.217 757 A C 2.311 179.930 177.584 0.059 0.000 1.186 757 A CA 2.374 54.437 52.037 0.044 0.000 0.624 757 A CB -1.300 17.724 19.000 0.041 0.000 0.822 757 A HN 0.433 nan 8.150 nan 0.000 0.444 758 T N -0.402 114.209 114.554 0.095 0.000 2.746 758 T HA -0.102 4.248 4.350 -0.000 0.000 0.267 758 T C 1.876 176.680 174.700 0.175 0.000 1.039 758 T CA 1.462 63.636 62.100 0.124 0.000 1.142 758 T CB -0.443 68.543 68.868 0.198 0.000 0.866 758 T HN 0.154 nan 8.240 nan 0.000 0.444 759 V N 1.624 121.687 119.914 0.248 0.000 2.295 759 V HA -0.138 3.982 4.120 -0.000 0.000 0.246 759 V C 2.509 178.648 176.094 0.075 0.000 1.049 759 V CA 1.553 63.998 62.300 0.241 0.000 1.024 759 V CB -0.696 31.191 31.823 0.107 0.000 0.648 759 V HN 0.438 nan 8.190 nan 0.000 0.447 760 L N -0.039 121.209 121.223 0.042 0.000 2.083 760 L HA -0.168 4.172 4.340 -0.000 0.000 0.209 760 L C 2.696 179.561 176.870 -0.009 0.000 1.083 760 L CA 1.515 56.360 54.840 0.008 0.000 0.752 760 L CB -0.784 41.281 42.059 0.010 0.000 0.899 760 L HN 0.375 nan 8.230 nan 0.000 0.433 761 A N 0.021 122.839 122.820 -0.003 0.000 1.898 761 A HA -0.142 4.178 4.320 -0.000 0.000 0.216 761 A C 2.552 180.110 177.584 -0.043 0.000 1.181 761 A CA 1.617 53.647 52.037 -0.013 0.000 0.620 761 A CB -0.647 18.352 19.000 -0.002 0.000 0.819 761 A HN 0.390 nan 8.150 nan 0.000 0.442 762 A N -0.480 122.273 122.820 -0.111 0.000 1.902 762 A HA -0.018 4.302 4.320 -0.000 0.000 0.217 762 A C 2.231 179.665 177.584 -0.249 0.000 1.181 762 A CA 1.840 53.683 52.037 -0.324 0.000 0.623 762 A CB -0.949 17.615 19.000 -0.727 0.000 0.818 762 A HN 0.390 nan 8.150 nan 0.000 0.443 763 V N -0.056 119.772 119.914 -0.143 0.000 2.295 763 V HA -0.268 3.852 4.120 -0.000 0.000 0.246 763 V C 2.502 178.553 176.094 -0.071 0.000 1.049 763 V CA 2.290 64.530 62.300 -0.100 0.000 1.024 763 V CB -0.721 31.067 31.823 -0.058 0.000 0.648 763 V HN 0.748 nan 8.190 nan 0.000 0.447 764 E N 0.087 120.257 120.200 -0.050 0.000 2.204 764 E HA -0.161 4.189 4.350 -0.000 0.000 0.195 764 E C 1.983 178.569 176.600 -0.024 0.000 0.990 764 E CA 1.067 57.448 56.400 -0.031 0.000 0.821 764 E CB -0.127 29.561 29.700 -0.019 0.000 0.750 764 E HN 0.592 nan 8.360 nan 0.000 0.477 765 A N -0.267 122.540 122.820 -0.021 0.000 2.238 765 A HA 0.242 4.562 4.320 -0.000 0.000 0.208 765 A C 1.526 179.116 177.584 0.009 0.000 1.177 765 A CA 0.870 52.915 52.037 0.012 0.000 0.804 765 A CB -0.173 18.867 19.000 0.066 0.000 0.823 765 A HN 0.411 nan 8.150 nan 0.000 0.482 766 G N -1.557 107.223 108.800 -0.033 0.000 2.159 766 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.227 766 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.227 766 G C 0.354 175.218 174.900 -0.059 0.000 0.986 766 G CA 0.089 45.166 45.100 -0.038 0.000 0.651 766 G HN 1.103 nan 8.290 nan 0.000 0.523 767 V N 0.975 120.812 119.914 -0.128 0.000 2.788 767 V HA 0.189 4.309 4.120 -0.000 0.000 0.307 767 V C 1.465 177.485 176.094 -0.123 0.000 1.069 767 V CA 1.195 63.385 62.300 -0.184 0.000 1.173 767 V CB 0.737 32.239 31.823 -0.535 0.000 0.925 767 V HN 0.376 nan 8.190 nan 0.000 0.492 768 D N 4.207 124.559 120.400 -0.081 0.000 2.194 768 D HA 0.167 4.807 4.640 -0.000 0.000 0.204 768 D C 0.388 176.608 176.300 -0.135 0.000 0.964 768 D CA 1.411 55.349 54.000 -0.103 0.000 0.846 768 D CB 0.534 41.285 40.800 -0.082 0.000 0.962 768 D HN 0.684 nan 8.370 nan 0.000 0.490 769 A N 0.431 123.165 122.820 -0.144 0.000 2.572 769 A HA 0.567 4.887 4.320 -0.000 0.000 0.295 769 A C -0.881 176.679 177.584 -0.039 0.000 1.072 769 A CA -0.664 51.242 52.037 -0.219 0.000 0.691 769 A CB 1.976 20.586 19.000 -0.650 0.000 1.291 769 A HN -0.013 nan 8.150 nan 0.000 0.404 770 V N -1.343 118.586 119.914 0.025 0.000 3.007 770 V HA 0.827 4.947 4.120 -0.000 0.000 0.311 770 V C -1.511 174.654 176.094 0.118 0.000 1.120 770 V CA -0.977 61.392 62.300 0.116 0.000 0.980 770 V CB 2.048 33.897 31.823 0.044 0.000 1.033 770 V HN 0.713 nan 8.190 nan 0.000 0.429 771 D N 1.601 122.027 120.400 0.043 0.000 2.181 771 D HA 0.899 5.539 4.640 -0.000 0.000 0.248 771 D C 0.006 176.244 176.300 -0.104 0.000 1.020 771 D CA 0.428 54.436 54.000 0.012 0.000 0.891 771 D CB 1.849 42.651 40.800 0.004 0.000 1.187 771 D HN 1.267 nan 8.370 nan 0.000 0.443 772 A N 0.276 123.056 122.820 -0.067 0.000 2.610 772 A HA 0.807 5.127 4.320 -0.000 0.000 0.291 772 A C -1.521 176.022 177.584 -0.070 0.000 1.086 772 A CA -0.661 51.318 52.037 -0.096 0.000 0.677 772 A CB 1.416 20.383 19.000 -0.055 0.000 1.278 772 A HN 0.548 nan 8.150 nan 0.000 0.414 773 A N 1.536 124.304 122.820 -0.088 0.000 2.325 773 A HA 0.698 5.018 4.320 -0.000 0.000 0.333 773 A C 0.231 177.793 177.584 -0.036 0.000 1.155 773 A CA -0.639 51.347 52.037 -0.084 0.000 0.814 773 A CB 0.453 19.376 19.000 -0.129 0.000 1.206 773 A HN 0.863 nan 8.150 nan 0.000 0.482 774 M N 1.660 121.249 119.600 -0.017 0.000 2.245 774 M HA -0.051 4.429 4.480 -0.000 0.000 0.335 774 M C 0.546 176.869 176.300 0.038 0.000 1.155 774 M CA 0.357 55.691 55.300 0.056 0.000 1.055 774 M CB -0.344 32.328 32.600 0.119 0.000 1.670 774 M HN 0.811 nan 8.290 nan 0.000 0.447 775 D N 2.851 123.298 120.400 0.077 0.000 2.133 775 D HA -0.162 4.478 4.640 -0.000 0.000 0.192 775 D C 1.701 178.050 176.300 0.082 0.000 1.001 775 D CA 2.076 56.119 54.000 0.072 0.000 0.844 775 D CB -0.299 40.559 40.800 0.097 0.000 0.944 775 D HN 0.778 nan 8.370 nan 0.000 0.447 776 A N -0.434 122.468 122.820 0.137 0.000 2.131 776 A HA -0.035 4.285 4.320 -0.000 0.000 0.220 776 A C 1.602 179.236 177.584 0.083 0.000 1.158 776 A CA 0.824 52.952 52.037 0.152 0.000 0.665 776 A CB -0.312 18.846 19.000 0.263 0.000 0.795 776 A HN 0.288 nan 8.150 nan 0.000 0.460 777 L N 0.182 121.411 121.223 0.010 0.000 3.291 777 L HA 0.205 4.545 4.340 -0.000 0.000 0.307 777 L C 0.242 177.072 176.870 -0.066 0.000 1.303 777 L CA -0.102 54.705 54.840 -0.054 0.000 0.949 777 L CB 0.627 42.588 42.059 -0.164 0.000 1.375 777 L HN 0.369 nan 8.230 nan 0.000 0.596 778 S N -1.446 114.234 115.700 -0.034 0.000 2.709 778 S HA 0.961 5.431 4.470 -0.000 0.000 0.302 778 S C 0.086 174.665 174.600 -0.035 0.000 1.127 778 S CA -0.152 58.018 58.200 -0.049 0.000 0.905 778 S CB 2.554 65.732 63.200 -0.037 0.000 1.151 778 S HN 0.412 nan 8.310 nan 0.000 0.510 779 G N 1.202 109.972 108.800 -0.049 0.000 2.712 779 G HA2 0.101 4.061 3.960 -0.000 0.000 0.683 779 G HA3 0.101 4.061 3.960 -0.000 0.000 0.683 779 G C -0.119 174.757 174.900 -0.041 0.000 1.320 779 G CA -0.077 45.001 45.100 -0.038 0.000 0.847 779 G HN 1.385 nan 8.290 nan 0.000 0.553 780 N N -1.651 117.022 118.700 -0.044 0.000 1.150 780 N HA -0.313 4.427 4.740 -0.000 0.000 0.130 780 N C 2.055 177.531 175.510 -0.056 0.000 0.650 780 N CA 4.043 57.055 53.050 -0.063 0.000 0.910 780 N CB -1.544 36.910 38.487 -0.056 0.000 1.255 780 N HN 2.011 nan 8.380 nan 0.000 0.537 781 T N -2.661 111.870 114.554 -0.039 0.000 3.148 781 T HA 0.209 4.559 4.350 -0.000 0.000 0.253 781 T C 1.147 175.925 174.700 0.130 0.000 1.134 781 T CA 1.020 63.132 62.100 0.020 0.000 1.051 781 T CB 0.099 68.980 68.868 0.022 0.000 0.959 781 T HN 0.496 nan 8.240 nan 0.000 0.525 782 S N 0.182 115.897 115.700 0.025 0.000 2.607 782 S HA 0.415 4.885 4.470 -0.000 0.000 0.272 782 S C 0.045 174.528 174.600 -0.195 0.000 1.166 782 S CA -0.656 57.514 58.200 -0.049 0.000 1.021 782 S CB 0.640 63.795 63.200 -0.075 0.000 1.113 782 S HN 0.345 nan 8.310 nan 0.000 0.531 783 Q N 1.574 121.193 119.800 -0.300 0.000 2.317 783 Q HA 0.451 4.791 4.340 -0.000 0.000 0.229 783 Q C -2.155 173.721 176.000 -0.207 0.000 0.984 783 Q CA -1.521 54.062 55.803 -0.365 0.000 0.911 783 Q CB 0.313 28.841 28.738 -0.350 0.000 1.217 783 Q HN 0.458 nan 8.270 nan 0.000 0.501 784 P HA -0.039 nan 4.420 nan 0.000 0.273 784 P C -0.519 176.733 177.300 -0.081 0.000 1.250 784 P CA -0.344 62.692 63.100 -0.107 0.000 0.793 784 P CB 0.589 32.235 31.700 -0.090 0.000 1.011 785 C N 2.794 122.069 119.300 -0.043 0.000 2.624 785 C HA 0.121 4.581 4.460 -0.000 0.000 0.397 785 C C 2.233 177.217 174.990 -0.009 0.000 1.331 785 C CA -0.305 58.702 59.018 -0.018 0.000 1.716 785 C CB -2.331 25.410 27.740 0.001 0.000 2.452 785 C HN 0.637 nan 8.230 nan 0.000 0.586 786 L N 5.865 127.088 121.223 -0.000 0.000 2.046 786 L HA 0.130 4.470 4.340 -0.000 0.000 0.208 786 L C 2.306 179.191 176.870 0.024 0.000 1.077 786 L CA 2.234 57.083 54.840 0.015 0.000 0.747 786 L CB -0.489 41.593 42.059 0.038 0.000 0.896 786 L HN 0.931 nan 8.230 nan 0.000 0.432 787 G N -1.522 107.295 108.800 0.029 0.000 2.408 787 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.217 787 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.217 787 G C 1.569 176.480 174.900 0.019 0.000 1.150 787 G CA 0.822 45.936 45.100 0.024 0.000 0.776 787 G HN 0.451 nan 8.290 nan 0.000 0.542 788 S N 0.263 115.974 115.700 0.018 0.000 2.387 788 S HA 0.058 4.528 4.470 -0.000 0.000 0.226 788 S C 2.239 176.845 174.600 0.011 0.000 1.026 788 S CA 0.349 58.558 58.200 0.016 0.000 0.972 788 S CB -0.116 63.094 63.200 0.016 0.000 0.814 788 S HN 0.356 nan 8.310 nan 0.000 0.477 789 I N 1.195 121.770 120.570 0.008 0.000 2.163 789 I HA -0.166 4.004 4.170 -0.000 0.000 0.243 789 I C 2.147 178.269 176.117 0.008 0.000 1.085 789 I CA 0.987 62.290 61.300 0.005 0.000 1.347 789 I CB -0.363 37.636 38.000 -0.001 0.000 1.044 789 I HN 0.142 nan 8.210 nan 0.000 0.408 790 V N 0.457 120.379 119.914 0.013 0.000 2.343 790 V HA -0.233 3.887 4.120 -0.000 0.000 0.247 790 V C 2.460 178.562 176.094 0.013 0.000 1.051 790 V CA 1.668 63.977 62.300 0.015 0.000 1.036 790 V CB -0.646 31.192 31.823 0.024 0.000 0.654 790 V HN 0.401 nan 8.190 nan 0.000 0.451 791 E N 0.524 120.732 120.200 0.013 0.000 2.085 791 E HA -0.224 4.126 4.350 -0.000 0.000 0.194 791 E C 2.370 178.975 176.600 0.009 0.000 0.994 791 E CA 1.573 57.980 56.400 0.011 0.000 0.801 791 E CB -0.455 29.252 29.700 0.012 0.000 0.743 791 E HN 0.584 nan 8.360 nan 0.000 0.453 792 A N 0.902 123.727 122.820 0.008 0.000 2.019 792 A HA -0.106 4.214 4.320 -0.000 0.000 0.219 792 A C 2.205 179.791 177.584 0.003 0.000 1.164 792 A CA 0.945 52.985 52.037 0.006 0.000 0.644 792 A CB -0.421 18.583 19.000 0.006 0.000 0.805 792 A HN 0.166 nan 8.150 nan 0.000 0.449 793 L N -0.139 121.085 121.223 0.002 0.000 2.567 793 L HA 0.088 4.428 4.340 -0.000 0.000 0.225 793 L C 0.415 177.285 176.870 -0.000 0.000 1.119 793 L CA -0.314 54.525 54.840 -0.001 0.000 0.871 793 L CB 0.030 42.087 42.059 -0.003 0.000 1.036 793 L HN 0.114 nan 8.230 nan 0.000 0.459 794 S N 0.394 116.096 115.700 0.004 0.000 2.537 794 S HA 0.283 4.753 4.470 -0.000 0.000 0.286 794 S C 1.239 175.840 174.600 0.003 0.000 1.299 794 S CA 0.612 58.815 58.200 0.005 0.000 1.067 794 S CB 0.868 64.073 63.200 0.008 0.000 0.864 794 S HN 0.590 nan 8.310 nan 0.000 0.494 795 G N 2.456 111.257 108.800 0.002 0.000 2.184 795 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.264 795 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.264 795 G C 0.288 175.186 174.900 -0.003 0.000 0.975 795 G CA 0.358 45.458 45.100 0.000 0.000 0.642 795 G HN 1.116 nan 8.290 nan 0.000 0.536 796 S N -0.647 115.050 115.700 -0.005 0.000 2.669 796 S HA 0.614 5.084 4.470 -0.000 0.000 0.270 796 S C 1.122 175.714 174.600 -0.013 0.000 1.225 796 S CA 0.613 58.807 58.200 -0.009 0.000 0.991 796 S CB 2.050 65.244 63.200 -0.010 0.000 0.987 796 S HN 0.467 nan 8.310 nan 0.000 0.552 797 E N 0.784 120.973 120.200 -0.017 0.000 2.147 797 E HA -0.198 4.152 4.350 -0.000 0.000 0.199 797 E C 1.554 178.136 176.600 -0.030 0.000 1.005 797 E CA 1.389 57.775 56.400 -0.023 0.000 0.810 797 E CB -0.019 29.667 29.700 -0.024 0.000 0.736 797 E HN 0.641 nan 8.360 nan 0.000 0.460 798 R N 0.839 121.320 120.500 -0.031 0.000 2.427 798 R HA 0.062 4.402 4.340 -0.000 0.000 0.262 798 R C -0.166 176.116 176.300 -0.031 0.000 0.943 798 R CA -0.011 56.066 56.100 -0.040 0.000 1.081 798 R CB 0.032 30.305 30.300 -0.046 0.000 1.166 798 R HN 0.145 nan 8.270 nan 0.000 0.534 799 D N 3.105 123.493 120.400 -0.020 0.000 2.662 799 D HA -0.064 4.576 4.640 -0.000 0.000 0.233 799 D C -1.214 175.080 176.300 -0.009 0.000 1.129 799 D CA -0.934 53.059 54.000 -0.010 0.000 0.851 799 D CB 1.124 41.921 40.800 -0.005 0.000 1.152 799 D HN 0.076 nan 8.370 nan 0.000 0.507 800 P HA 0.067 nan 4.420 nan 0.000 0.237 800 P C 0.692 178.004 177.300 0.019 0.000 1.178 800 P CA 0.748 63.851 63.100 0.005 0.000 0.766 800 P CB 0.160 31.867 31.700 0.012 0.000 0.876 801 G N 0.133 108.945 108.800 0.020 0.000 2.256 801 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.272 801 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.272 801 G C -0.349 174.573 174.900 0.038 0.000 1.076 801 G CA -0.235 44.882 45.100 0.027 0.000 0.882 801 G HN 0.318 nan 8.290 nan 0.000 0.497 802 L N 0.170 121.417 121.223 0.041 0.000 2.322 802 L HA 0.441 4.780 4.340 -0.000 0.000 0.281 802 L C 0.005 176.912 176.870 0.062 0.000 1.014 802 L CA -1.165 53.707 54.840 0.054 0.000 0.815 802 L CB 1.713 43.807 42.059 0.058 0.000 1.247 802 L HN 0.102 nan 8.230 nan 0.000 0.421 803 D N 4.832 125.287 120.400 0.091 0.000 2.363 803 D HA 0.084 4.724 4.640 -0.000 0.000 0.263 803 D C -1.664 174.693 176.300 0.095 0.000 1.258 803 D CA -1.647 52.422 54.000 0.116 0.000 0.907 803 D CB 1.609 42.542 40.800 0.222 0.000 1.107 803 D HN 0.217 nan 8.370 nan 0.000 0.495 804 P HA -0.155 nan 4.420 nan 0.000 0.216 804 P C 0.984 178.257 177.300 -0.045 0.000 1.150 804 P CA 1.557 64.660 63.100 0.005 0.000 0.843 804 P CB 0.193 31.891 31.700 -0.003 0.000 0.787 805 A N -1.786 120.990 122.820 -0.073 0.000 1.902 805 A HA -0.181 4.139 4.320 -0.000 0.000 0.217 805 A C 2.156 179.556 177.584 -0.305 0.000 1.181 805 A CA 1.445 53.361 52.037 -0.202 0.000 0.623 805 A CB -1.831 17.027 19.000 -0.237 0.000 0.818 805 A HN 0.234 nan 8.150 nan 0.000 0.443 806 W N -0.181 121.046 121.300 -0.122 0.000 2.388 806 W HA -0.032 4.628 4.660 -0.000 0.000 0.294 806 W C 2.077 178.484 176.519 -0.187 0.000 1.212 806 W CA 0.813 58.068 57.345 -0.150 0.000 1.271 806 W CB -0.169 29.220 29.460 -0.118 0.000 1.126 806 W HN 0.246 nan 8.180 nan 0.000 0.535 807 I N 0.180 120.800 120.570 0.082 0.000 2.163 807 I HA -0.358 3.812 4.170 -0.000 0.000 0.243 807 I C 2.426 178.467 176.117 -0.126 0.000 1.085 807 I CA 1.482 62.784 61.300 0.003 0.000 1.347 807 I CB -0.573 37.439 38.000 0.020 0.000 1.044 807 I HN -0.046 nan 8.210 nan 0.000 0.408 808 R N 0.255 120.592 120.500 -0.272 0.000 2.081 808 R HA -0.130 4.210 4.340 -0.000 0.000 0.235 808 R C 2.476 178.089 176.300 -1.146 0.000 1.131 808 R CA 1.236 56.944 56.100 -0.654 0.000 0.960 808 R CB -0.293 29.633 30.300 -0.624 0.000 0.856 808 R HN 0.345 nan 8.270 nan 0.000 0.436 809 R N 0.359 120.426 120.500 -0.722 0.000 2.081 809 R HA -0.088 4.252 4.340 -0.000 0.000 0.235 809 R C 2.280 178.487 176.300 -0.155 0.000 1.131 809 R CA 1.401 57.215 56.100 -0.477 0.000 0.960 809 R CB -0.307 29.730 30.300 -0.439 0.000 0.856 809 R HN 0.225 nan 8.270 nan 0.000 0.436 810 I N -0.183 120.345 120.570 -0.071 0.000 2.252 810 I HA -0.257 3.913 4.170 -0.000 0.000 0.245 810 I C 2.566 178.787 176.117 0.173 0.000 1.102 810 I CA 0.988 62.277 61.300 -0.019 0.000 1.385 810 I CB -0.291 37.601 38.000 -0.180 0.000 1.064 810 I HN 0.138 nan 8.210 nan 0.000 0.414 811 S N 0.665 116.456 115.700 0.152 0.000 2.370 811 S HA -0.171 4.299 4.470 -0.000 0.000 0.226 811 S C 2.026 176.871 174.600 0.407 0.000 1.033 811 S CA 1.454 59.839 58.200 0.310 0.000 1.011 811 S CB -0.256 63.037 63.200 0.156 0.000 0.852 811 S HN 0.293 nan 8.310 nan 0.000 0.457 812 F N 0.744 120.796 119.950 0.171 0.000 2.171 812 F HA 0.021 4.548 4.527 -0.000 0.000 0.300 812 F C 2.173 178.057 175.800 0.139 0.000 1.090 812 F CA 0.398 58.474 58.000 0.125 0.000 1.293 812 F CB -1.713 37.332 39.000 0.075 0.000 1.013 812 F HN 0.385 nan 8.300 nan 0.000 0.486 813 Y N -0.930 119.492 120.300 0.203 0.000 2.145 813 Y HA -0.259 4.291 4.550 -0.000 0.000 0.286 813 Y C 2.265 178.207 175.900 0.070 0.000 1.145 813 Y CA 1.489 59.613 58.100 0.040 0.000 1.148 813 Y CB -0.905 37.463 38.460 -0.153 0.000 0.981 813 Y HN 0.012 nan 8.280 nan 0.000 0.507 814 W N 1.107 122.537 121.300 0.217 0.000 2.374 814 W HA -0.152 4.508 4.660 -0.000 0.000 0.288 814 W C 2.591 179.143 176.519 0.056 0.000 1.218 814 W CA 1.327 58.736 57.345 0.106 0.000 1.245 814 W CB -0.240 29.343 29.460 0.204 0.000 1.126 814 W HN 0.229 nan 8.180 nan 0.000 0.545 815 E N 0.646 121.041 120.200 0.326 0.000 2.051 815 E HA -0.226 4.124 4.350 -0.000 0.000 0.192 815 E C 2.276 178.956 176.600 0.134 0.000 0.991 815 E CA 1.556 58.086 56.400 0.217 0.000 0.799 815 E CB -0.275 29.549 29.700 0.207 0.000 0.748 815 E HN 0.162 nan 8.360 nan 0.000 0.449 816 A N 0.583 123.446 122.820 0.071 0.000 1.930 816 A HA -0.088 4.232 4.320 -0.000 0.000 0.217 816 A C 2.393 179.984 177.584 0.013 0.000 1.175 816 A CA 1.190 53.236 52.037 0.016 0.000 0.627 816 A CB -0.539 18.449 19.000 -0.020 0.000 0.815 816 A HN 0.233 nan 8.150 nan 0.000 0.443 817 V N 0.118 120.005 119.914 -0.046 0.000 2.295 817 V HA -0.269 3.851 4.120 -0.000 0.000 0.246 817 V C 2.660 178.962 176.094 0.346 0.000 1.049 817 V CA 2.349 64.702 62.300 0.088 0.000 1.024 817 V CB -0.753 31.087 31.823 0.027 0.000 0.648 817 V HN 0.706 nan 8.190 nan 0.000 0.447 818 R N 0.306 120.996 120.500 0.317 0.000 2.105 818 R HA -0.189 4.151 4.340 -0.000 0.000 0.239 818 R C 2.100 178.590 176.300 0.317 0.000 1.135 818 R CA 1.795 58.099 56.100 0.341 0.000 0.967 818 R CB -0.318 30.112 30.300 0.217 0.000 0.861 818 R HN 0.512 nan 8.270 nan 0.000 0.442 819 N N 1.006 119.825 118.700 0.198 0.000 2.258 819 N HA -0.190 4.550 4.740 -0.000 0.000 0.187 819 N C 1.326 176.899 175.510 0.106 0.000 1.012 819 N CA 1.321 54.445 53.050 0.123 0.000 0.870 819 N CB -0.109 38.419 38.487 0.068 0.000 0.977 819 N HN 0.498 nan 8.380 nan 0.000 0.434 820 Q N -1.082 118.792 119.800 0.124 0.000 2.378 820 Q HA -0.022 4.318 4.340 -0.000 0.000 0.205 820 Q C 0.277 176.209 176.000 -0.113 0.000 0.954 820 Q CA 0.660 56.453 55.803 -0.017 0.000 0.901 820 Q CB 0.074 28.740 28.738 -0.121 0.000 0.981 820 Q HN 0.512 nan 8.270 nan 0.000 0.483 821 Y N -0.842 119.554 120.300 0.159 0.000 2.746 821 Y HA 0.332 4.882 4.550 -0.000 0.000 0.312 821 Y C 1.502 177.431 175.900 0.048 0.000 1.117 821 Y CA -0.294 57.918 58.100 0.186 0.000 1.324 821 Y CB -0.009 38.619 38.460 0.279 0.000 1.173 821 Y HN 0.083 nan 8.280 nan 0.000 0.529 822 A N 0.612 123.468 122.820 0.060 0.000 1.986 822 A HA -0.235 4.085 4.320 -0.000 0.000 0.220 822 A C 2.453 179.940 177.584 -0.162 0.000 1.171 822 A CA 1.876 53.898 52.037 -0.025 0.000 0.640 822 A CB -0.794 18.174 19.000 -0.053 0.000 0.811 822 A HN 0.503 nan 8.150 nan 0.000 0.451 823 A N -1.485 121.107 122.820 -0.381 0.000 2.032 823 A HA -0.009 4.311 4.320 -0.000 0.000 0.221 823 A C 1.460 178.569 177.584 -0.792 0.000 1.165 823 A CA 1.532 53.138 52.037 -0.718 0.000 0.645 823 A CB -0.615 17.668 19.000 -1.195 0.000 0.807 823 A HN 0.536 nan 8.150 nan 0.000 0.453 824 F N 0.096 120.024 119.950 -0.037 0.000 2.653 824 F HA 0.256 4.783 4.527 -0.000 0.000 0.304 824 F C 0.542 176.334 175.800 -0.013 0.000 1.092 824 F CA -0.806 57.175 58.000 -0.032 0.000 1.279 824 F CB 0.183 39.179 39.000 -0.008 0.000 1.044 824 F HN 0.010 nan 8.300 nan 0.000 0.564 825 E N 1.238 121.480 120.200 0.070 0.000 2.366 825 E HA 0.197 4.547 4.350 -0.000 0.000 0.266 825 E C 0.460 177.073 176.600 0.021 0.000 1.051 825 E CA 0.019 56.452 56.400 0.055 0.000 0.884 825 E CB 1.328 31.045 29.700 0.029 0.000 1.006 825 E HN 0.202 nan 8.360 nan 0.000 0.417 826 S N 0.442 116.155 115.700 0.022 0.000 2.730 826 S HA 0.155 4.625 4.470 -0.000 0.000 0.284 826 S C 0.438 175.034 174.600 -0.007 0.000 1.153 826 S CA -0.731 57.469 58.200 -0.001 0.000 0.995 826 S CB 1.274 64.481 63.200 0.011 0.000 1.058 826 S HN 0.396 nan 8.310 nan 0.000 0.552 827 D N -0.171 120.215 120.400 -0.024 0.000 2.370 827 D HA 0.164 4.804 4.640 -0.000 0.000 0.230 827 D C -0.045 176.256 176.300 0.002 0.000 1.143 827 D CA -0.404 53.584 54.000 -0.020 0.000 0.834 827 D CB -0.647 40.129 40.800 -0.040 0.000 0.944 827 D HN 0.413 nan 8.370 nan 0.000 0.504 828 L N 0.612 121.849 121.223 0.023 0.000 2.367 828 L HA 0.226 4.566 4.340 -0.000 0.000 0.275 828 L C 1.087 177.969 176.870 0.020 0.000 1.129 828 L CA 0.436 55.302 54.840 0.042 0.000 0.839 828 L CB 1.016 43.109 42.059 0.057 0.000 1.133 828 L HN -0.225 nan 8.230 nan 0.000 0.453 829 K N 2.610 123.023 120.400 0.021 0.000 2.335 829 K HA 0.486 4.806 4.320 -0.000 0.000 0.195 829 K C 0.456 177.059 176.600 0.006 0.000 1.058 829 K CA 0.489 56.785 56.287 0.016 0.000 0.988 829 K CB 0.512 33.026 32.500 0.024 0.000 0.880 829 K HN 0.892 nan 8.250 nan 0.000 0.513 830 G N -0.099 108.698 108.800 -0.005 0.000 2.348 830 G HA2 0.210 4.170 3.960 -0.000 0.000 0.296 830 G HA3 0.210 4.170 3.960 -0.000 0.000 0.296 830 G C -2.910 171.966 174.900 -0.039 0.000 1.258 830 G CA -1.036 44.055 45.100 -0.015 0.000 0.868 830 G HN -0.262 nan 8.290 nan 0.000 0.488 831 P HA 0.452 nan 4.420 nan 0.000 0.268 831 P C -0.492 176.783 177.300 -0.043 0.000 1.208 831 P CA 0.473 63.548 63.100 -0.042 0.000 0.777 831 P CB 1.079 32.773 31.700 -0.010 0.000 0.875 832 A N 1.006 123.783 122.820 -0.073 0.000 2.476 832 A HA 0.402 4.722 4.320 -0.000 0.000 0.280 832 A C 0.789 178.330 177.584 -0.071 0.000 1.081 832 A CA -0.211 51.798 52.037 -0.048 0.000 0.753 832 A CB 0.517 19.480 19.000 -0.062 0.000 1.248 832 A HN 0.439 nan 8.150 nan 0.000 0.424 833 S N 1.073 116.782 115.700 0.015 0.000 2.555 833 S HA -0.100 4.370 4.470 -0.000 0.000 0.230 833 S C 1.177 175.799 174.600 0.036 0.000 0.978 833 S CA 1.166 59.428 58.200 0.103 0.000 0.934 833 S CB -0.135 63.190 63.200 0.208 0.000 0.766 833 S HN 0.813 nan 8.310 nan 0.000 0.533 834 E N 0.885 121.064 120.200 -0.034 0.000 2.267 834 E HA -0.126 4.224 4.350 -0.000 0.000 0.197 834 E C 1.763 178.075 176.600 -0.481 0.000 0.998 834 E CA 0.936 57.281 56.400 -0.092 0.000 0.830 834 E CB -0.223 29.534 29.700 0.095 0.000 0.751 834 E HN 0.438 nan 8.360 nan 0.000 0.491 835 V N 0.245 119.820 119.914 -0.565 0.000 2.453 835 V HA -0.268 3.852 4.120 -0.000 0.000 0.252 835 V C 1.386 177.143 176.094 -0.561 0.000 1.068 835 V CA 1.831 63.674 62.300 -0.762 0.000 1.070 835 V CB -0.457 31.064 31.823 -0.504 0.000 0.664 835 V HN 0.407 nan 8.190 nan 0.000 0.461 836 Y N -0.989 119.204 120.300 -0.178 0.000 2.439 836 Y HA -0.029 4.521 4.550 -0.000 0.000 0.292 836 Y C 1.921 177.783 175.900 -0.064 0.000 1.130 836 Y CA 1.418 59.475 58.100 -0.072 0.000 1.254 836 Y CB -0.387 38.055 38.460 -0.030 0.000 1.000 836 Y HN 0.342 nan 8.280 nan 0.000 0.554 837 L N 0.042 121.268 121.223 0.005 0.000 2.034 837 L HA -0.128 4.212 4.340 -0.000 0.000 0.203 837 L C 2.442 179.352 176.870 0.067 0.000 1.074 837 L CA 2.153 57.011 54.840 0.029 0.000 0.748 837 L CB -0.950 41.123 42.059 0.022 0.000 0.905 837 L HN 0.375 nan 8.230 nan 0.000 0.439 838 H N -1.108 118.016 119.070 0.090 0.000 2.415 838 H HA 0.175 4.731 4.556 -0.000 0.000 0.297 838 H C 0.528 175.956 175.328 0.166 0.000 1.048 838 H CA 0.669 56.780 56.048 0.104 0.000 1.365 838 H CB -0.689 29.045 29.762 -0.047 0.000 1.421 838 H HN 0.517 nan 8.280 nan 0.000 0.533 839 E N -0.236 120.114 120.200 0.251 0.000 2.868 839 E HA -0.204 4.146 4.350 -0.000 0.000 0.278 839 E C -0.725 176.061 176.600 0.310 0.000 1.009 839 E CA 0.490 57.038 56.400 0.246 0.000 0.856 839 E CB -1.872 27.957 29.700 0.215 0.000 1.428 839 E HN 0.564 nan 8.360 nan 0.000 0.423 840 M N 1.135 120.919 119.600 0.307 0.000 2.219 840 M HA 0.176 4.656 4.480 -0.000 0.000 0.353 840 M C -2.087 174.275 176.300 0.102 0.000 1.304 840 M CA -1.335 53.970 55.300 0.009 0.000 1.115 840 M CB 0.002 32.427 32.600 -0.292 0.000 1.664 840 M HN -0.223 nan 8.290 nan 0.000 0.459 841 P HA 0.013 nan 4.420 nan 0.000 0.269 841 P C 0.680 177.941 177.300 -0.064 0.000 1.209 841 P CA 0.108 63.190 63.100 -0.030 0.000 0.776 841 P CB 0.499 32.182 31.700 -0.029 0.000 0.876 842 G N 2.344 110.995 108.800 -0.249 0.000 2.422 842 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.218 842 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.218 842 G C 1.634 176.486 174.900 -0.080 0.000 1.146 842 G CA 0.820 45.813 45.100 -0.178 0.000 0.769 842 G HN 0.641 nan 8.290 nan 0.000 0.547 843 G N -0.396 108.306 108.800 -0.163 0.000 2.559 843 G HA2 -0.063 3.897 3.960 -0.000 0.000 0.216 843 G HA3 -0.063 3.897 3.960 -0.000 0.000 0.216 843 G C 1.534 176.437 174.900 0.006 0.000 1.126 843 G CA 1.069 46.144 45.100 -0.043 0.000 0.778 843 G HN 0.563 nan 8.290 nan 0.000 0.543 844 Q N -1.235 118.580 119.800 0.025 0.000 2.394 844 Q HA 0.123 4.463 4.340 -0.000 0.000 0.218 844 Q C 1.939 177.964 176.000 0.041 0.000 0.907 844 Q CA -0.309 55.519 55.803 0.041 0.000 0.919 844 Q CB -0.109 28.662 28.738 0.056 0.000 1.051 844 Q HN 0.294 nan 8.270 nan 0.000 0.538 845 F N 1.499 121.412 119.950 -0.062 0.000 2.063 845 F HA -0.319 4.208 4.527 -0.000 0.000 0.298 845 F C 2.009 177.736 175.800 -0.121 0.000 1.105 845 F CA 2.404 60.364 58.000 -0.067 0.000 1.215 845 F CB -0.470 38.505 39.000 -0.042 0.000 0.972 845 F HN 0.048 nan 8.300 nan 0.000 0.483 846 T N 0.357 114.904 114.554 -0.013 0.000 2.857 846 T HA -0.144 4.206 4.350 -0.000 0.000 0.266 846 T C 1.723 176.299 174.700 -0.208 0.000 1.048 846 T CA 1.265 63.282 62.100 -0.138 0.000 1.139 846 T CB -0.338 68.539 68.868 0.014 0.000 0.874 846 T HN 0.236 nan 8.240 nan 0.000 0.455 847 N N 1.237 119.868 118.700 -0.115 0.000 2.120 847 N HA -0.041 4.699 4.740 -0.000 0.000 0.188 847 N C 1.705 177.145 175.510 -0.117 0.000 1.024 847 N CA 0.786 53.784 53.050 -0.086 0.000 0.852 847 N CB -0.475 37.998 38.487 -0.024 0.000 1.003 847 N HN 0.222 nan 8.380 nan 0.000 0.424 848 L N 1.558 122.695 121.223 -0.143 0.000 2.109 848 L HA 0.007 4.347 4.340 -0.000 0.000 0.207 848 L C 2.096 178.847 176.870 -0.197 0.000 1.086 848 L CA 1.639 56.436 54.840 -0.072 0.000 0.760 848 L CB -0.512 41.570 42.059 0.038 0.000 0.910 848 L HN -0.013 nan 8.230 nan 0.000 0.437 849 K N -0.502 119.488 120.400 -0.683 0.000 2.057 849 K HA -0.181 4.139 4.320 -0.000 0.000 0.207 849 K C 1.939 178.226 176.600 -0.523 0.000 1.049 849 K CA 1.695 57.300 56.287 -1.136 0.000 0.931 849 K CB -0.020 31.489 32.500 -1.651 0.000 0.714 849 K HN 0.460 nan 8.250 nan 0.000 0.440 850 E N 0.209 120.200 120.200 -0.348 0.000 2.077 850 E HA -0.256 4.094 4.350 -0.000 0.000 0.193 850 E C 2.154 178.682 176.600 -0.119 0.000 0.989 850 E CA 1.143 57.425 56.400 -0.197 0.000 0.800 850 E CB -0.012 29.604 29.700 -0.141 0.000 0.746 850 E HN 0.371 nan 8.360 nan 0.000 0.452 851 Q N 0.675 120.423 119.800 -0.086 0.000 2.061 851 Q HA -0.227 4.113 4.340 -0.000 0.000 0.204 851 Q C 2.189 178.185 176.000 -0.005 0.000 0.984 851 Q CA 1.712 57.499 55.803 -0.026 0.000 0.846 851 Q CB -0.176 28.566 28.738 0.006 0.000 0.902 851 Q HN 0.249 nan 8.270 nan 0.000 0.421 852 A N 1.176 124.004 122.820 0.013 0.000 1.917 852 A HA -0.276 4.044 4.320 -0.000 0.000 0.219 852 A C 2.087 179.678 177.584 0.013 0.000 1.182 852 A CA 1.843 53.921 52.037 0.069 0.000 0.633 852 A CB -0.784 18.354 19.000 0.230 0.000 0.819 852 A HN 0.500 nan 8.150 nan 0.000 0.448 853 R N -0.280 120.189 120.500 -0.051 0.000 2.081 853 R HA -0.105 4.235 4.340 -0.000 0.000 0.235 853 R C 2.134 178.416 176.300 -0.029 0.000 1.131 853 R CA 1.909 57.977 56.100 -0.054 0.000 0.960 853 R CB -0.411 29.829 30.300 -0.100 0.000 0.856 853 R HN 0.423 nan 8.270 nan 0.000 0.436 854 S N 0.543 116.226 115.700 -0.029 0.000 2.442 854 S HA -0.021 4.449 4.470 -0.000 0.000 0.236 854 S C 1.476 176.075 174.600 -0.002 0.000 1.007 854 S CA 0.815 59.006 58.200 -0.014 0.000 0.965 854 S CB 0.006 63.198 63.200 -0.013 0.000 0.773 854 S HN 0.327 nan 8.310 nan 0.000 0.504 855 L N 0.467 121.693 121.223 0.006 0.000 2.592 855 L HA 0.257 4.597 4.340 -0.000 0.000 0.227 855 L C 1.517 178.394 176.870 0.012 0.000 1.127 855 L CA 0.251 55.099 54.840 0.012 0.000 0.884 855 L CB -0.252 41.820 42.059 0.021 0.000 1.065 855 L HN 0.440 nan 8.230 nan 0.000 0.457 856 G N 0.353 109.158 108.800 0.008 0.000 2.136 856 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.242 856 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.242 856 G C 0.475 175.386 174.900 0.018 0.000 0.989 856 G CA 0.081 45.186 45.100 0.009 0.000 0.682 856 G HN 0.329 nan 8.290 nan 0.000 0.522 857 L N -0.399 120.841 121.223 0.029 0.000 2.857 857 L HA 0.433 4.773 4.340 -0.000 0.000 0.249 857 L C 2.486 179.399 176.870 0.071 0.000 1.172 857 L CA 0.842 55.712 54.840 0.050 0.000 0.980 857 L CB -0.302 41.797 42.059 0.065 0.000 1.299 857 L HN 0.341 nan 8.230 nan 0.000 0.535 858 E N 0.792 121.015 120.200 0.038 0.000 2.130 858 E HA -0.291 4.059 4.350 -0.000 0.000 0.196 858 E C 2.128 178.761 176.600 0.055 0.000 0.998 858 E CA 2.099 58.511 56.400 0.020 0.000 0.806 858 E CB -0.983 28.702 29.700 -0.025 0.000 0.738 858 E HN 0.571 nan 8.360 nan 0.000 0.459 859 T N -2.811 111.774 114.554 0.052 0.000 3.148 859 T HA 0.109 4.459 4.350 -0.000 0.000 0.253 859 T C 1.486 176.234 174.700 0.081 0.000 1.134 859 T CA 0.603 62.740 62.100 0.062 0.000 1.051 859 T CB -0.067 68.829 68.868 0.046 0.000 0.959 859 T HN 0.430 nan 8.240 nan 0.000 0.525 860 R N -0.566 119.985 120.500 0.085 0.000 2.662 860 R HA 0.257 4.597 4.340 -0.000 0.000 0.396 860 R C 1.251 177.589 176.300 0.063 0.000 1.096 860 R CA -0.575 55.566 56.100 0.069 0.000 1.081 860 R CB -0.188 30.137 30.300 0.041 0.000 1.382 860 R HN 0.485 nan 8.270 nan 0.000 0.580 861 W N 1.544 122.774 121.300 -0.117 0.000 2.321 861 W HA -0.257 4.403 4.660 -0.000 0.000 0.306 861 W C 0.803 177.206 176.519 -0.194 0.000 1.217 861 W CA 1.658 58.876 57.345 -0.212 0.000 1.257 861 W CB -0.003 29.253 29.460 -0.339 0.000 1.145 861 W HN 0.314 nan 8.180 nan 0.000 0.509 862 H N -0.067 118.943 119.070 -0.101 0.000 2.462 862 H HA -0.124 4.431 4.556 -0.000 0.000 0.292 862 H C 2.171 177.380 175.328 -0.198 0.000 1.049 862 H CA 1.631 57.562 56.048 -0.196 0.000 1.334 862 H CB -0.559 29.206 29.762 0.005 0.000 1.404 862 H HN 0.396 nan 8.280 nan 0.000 0.544 863 Q N 0.555 120.328 119.800 -0.044 0.000 2.124 863 Q HA -0.096 4.244 4.340 -0.000 0.000 0.202 863 Q C 2.369 178.291 176.000 -0.131 0.000 0.977 863 Q CA 1.118 56.889 55.803 -0.054 0.000 0.850 863 Q CB 0.254 28.983 28.738 -0.015 0.000 0.901 863 Q HN 0.167 nan 8.270 nan 0.000 0.429 864 V N 0.607 120.374 119.914 -0.245 0.000 2.343 864 V HA -0.286 3.834 4.120 -0.000 0.000 0.247 864 V C 2.273 178.134 176.094 -0.388 0.000 1.051 864 V CA 1.807 63.923 62.300 -0.305 0.000 1.036 864 V CB -0.979 30.624 31.823 -0.367 0.000 0.654 864 V HN 0.480 nan 8.190 nan 0.000 0.451 865 A N -0.510 121.924 122.820 -0.644 0.000 1.933 865 A HA -0.308 4.012 4.320 -0.000 0.000 0.218 865 A C 2.172 179.722 177.584 -0.058 0.000 1.175 865 A CA 2.248 54.028 52.037 -0.428 0.000 0.628 865 A CB -0.517 18.256 19.000 -0.378 0.000 0.814 865 A HN 0.553 nan 8.150 nan 0.000 0.444 866 Q N -0.202 119.570 119.800 -0.048 0.000 2.079 866 Q HA 0.038 4.378 4.340 -0.000 0.000 0.200 866 Q C 2.029 178.048 176.000 0.031 0.000 0.974 866 Q CA 2.019 57.834 55.803 0.020 0.000 0.840 866 Q CB -0.613 28.131 28.738 0.009 0.000 0.898 866 Q HN 0.536 nan 8.270 nan 0.000 0.430 867 A N -0.653 122.167 122.820 0.000 0.000 1.933 867 A HA -0.200 4.120 4.320 -0.000 0.000 0.218 867 A C 2.007 179.623 177.584 0.053 0.000 1.175 867 A CA 1.469 53.511 52.037 0.007 0.000 0.628 867 A CB -1.059 17.931 19.000 -0.015 0.000 0.814 867 A HN 0.633 nan 8.150 nan 0.000 0.444 868 Y N 0.422 120.692 120.300 -0.051 0.000 2.114 868 Y HA -0.141 4.409 4.550 -0.000 0.000 0.284 868 Y C 2.727 178.657 175.900 0.050 0.000 1.143 868 Y CA 1.602 59.702 58.100 -0.001 0.000 1.135 868 Y CB -0.384 38.048 38.460 -0.046 0.000 0.980 868 Y HN 0.335 nan 8.280 nan 0.000 0.499 869 A N 0.227 123.214 122.820 0.279 0.000 1.883 869 A HA -0.243 4.077 4.320 -0.000 0.000 0.217 869 A C 1.914 179.545 177.584 0.077 0.000 1.186 869 A CA 2.188 54.336 52.037 0.184 0.000 0.624 869 A CB -0.931 18.166 19.000 0.161 0.000 0.822 869 A HN 0.566 nan 8.150 nan 0.000 0.444 870 D N -0.003 120.421 120.400 0.040 0.000 2.117 870 D HA -0.048 4.592 4.640 -0.000 0.000 0.197 870 D C 2.245 178.512 176.300 -0.054 0.000 0.987 870 D CA 1.545 55.541 54.000 -0.006 0.000 0.829 870 D CB -0.540 40.249 40.800 -0.018 0.000 0.961 870 D HN 0.437 nan 8.370 nan 0.000 0.460 871 A N 1.126 123.900 122.820 -0.078 0.000 1.902 871 A HA -0.254 4.066 4.320 -0.000 0.000 0.217 871 A C 2.021 179.544 177.584 -0.101 0.000 1.181 871 A CA 1.992 53.923 52.037 -0.177 0.000 0.623 871 A CB -0.891 18.036 19.000 -0.122 0.000 0.818 871 A HN 0.263 nan 8.150 nan 0.000 0.443 872 N N -0.463 118.240 118.700 0.004 0.000 2.061 872 N HA -0.221 4.519 4.740 -0.000 0.000 0.193 872 N C 1.851 177.431 175.510 0.118 0.000 1.030 872 N CA 2.122 55.238 53.050 0.110 0.000 0.856 872 N CB -0.233 38.294 38.487 0.067 0.000 1.023 872 N HN 0.428 nan 8.380 nan 0.000 0.424 873 Q N -0.052 119.776 119.800 0.048 0.000 2.119 873 Q HA -0.129 4.211 4.340 -0.000 0.000 0.201 873 Q C 2.110 178.113 176.000 0.005 0.000 0.972 873 Q CA 1.136 56.961 55.803 0.037 0.000 0.847 873 Q CB -0.460 28.289 28.738 0.018 0.000 0.903 873 Q HN 0.613 nan 8.270 nan 0.000 0.433 874 M N -0.420 119.130 119.600 -0.084 0.000 2.108 874 M HA -0.162 4.318 4.480 -0.000 0.000 0.261 874 M C 1.045 177.266 176.300 -0.132 0.000 1.066 874 M CA 1.491 56.688 55.300 -0.173 0.000 1.107 874 M CB -0.043 32.357 32.600 -0.334 0.000 1.356 874 M HN 0.031 nan 8.290 nan 0.000 0.406 875 F N 0.418 120.408 119.950 0.066 0.000 2.771 875 F HA 0.193 4.720 4.527 -0.000 0.000 0.299 875 F C 1.840 177.743 175.800 0.171 0.000 1.177 875 F CA 1.031 59.121 58.000 0.149 0.000 1.450 875 F CB -0.471 38.627 39.000 0.163 0.000 1.114 875 F HN 0.472 nan 8.300 nan 0.000 0.587 876 G N -0.166 108.764 108.800 0.217 0.000 2.184 876 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.206 876 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.206 876 G C -0.248 174.703 174.900 0.085 0.000 0.995 876 G CA -0.249 44.916 45.100 0.108 0.000 0.651 876 G HN 0.318 nan 8.290 nan 0.000 0.511 877 D N -0.355 120.131 120.400 0.143 0.000 4.520 877 D HA -0.123 4.517 4.640 -0.000 0.000 0.245 877 D C 0.342 176.776 176.300 0.223 0.000 1.068 877 D CA 1.472 55.571 54.000 0.164 0.000 1.211 877 D CB -1.313 39.572 40.800 0.142 0.000 0.818 877 D HN 1.664 nan 8.370 nan 0.000 0.392 878 I N -1.801 118.878 120.570 0.182 0.000 3.067 878 I HA 0.743 4.913 4.170 -0.000 0.000 0.312 878 I C 0.259 176.405 176.117 0.048 0.000 1.073 878 I CA -1.297 60.093 61.300 0.151 0.000 1.016 878 I CB 1.767 39.862 38.000 0.158 0.000 1.227 878 I HN -0.046 nan 8.210 nan 0.000 0.456 879 V N 2.621 122.556 119.914 0.034 0.000 2.572 879 V HA 0.165 4.285 4.120 -0.000 0.000 0.291 879 V C 0.108 176.247 176.094 0.075 0.000 1.039 879 V CA -0.098 62.203 62.300 0.003 0.000 1.055 879 V CB 0.363 32.231 31.823 0.076 0.000 0.969 879 V HN 0.636 nan 8.190 nan 0.000 0.482 880 K N 4.506 124.956 120.400 0.084 0.000 2.464 880 K HA 0.721 5.041 4.320 -0.000 0.000 0.252 880 K C -1.069 175.619 176.600 0.145 0.000 1.000 880 K CA -0.290 56.074 56.287 0.128 0.000 0.951 880 K CB 2.049 34.656 32.500 0.178 0.000 1.183 880 K HN 0.439 nan 8.250 nan 0.000 0.445 881 V N 1.126 121.134 119.914 0.158 0.000 3.204 881 V HA 0.298 4.418 4.120 -0.000 0.000 0.298 881 V C -0.770 175.448 176.094 0.206 0.000 1.328 881 V CA -0.635 61.758 62.300 0.155 0.000 1.035 881 V CB 2.403 34.314 31.823 0.146 0.000 1.095 881 V HN 0.761 nan 8.190 nan 0.000 0.442 882 T N 5.377 120.053 114.554 0.203 0.000 2.905 882 T HA 0.205 4.555 4.350 -0.000 0.000 0.299 882 T C -1.590 173.264 174.700 0.256 0.000 1.024 882 T CA 0.230 62.456 62.100 0.211 0.000 1.151 882 T CB 0.985 69.965 68.868 0.187 0.000 0.987 882 T HN 0.727 nan 8.240 nan 0.000 0.535 883 P HA 0.084 nan 4.420 nan 0.000 0.251 883 P C 1.426 178.763 177.300 0.063 0.000 1.223 883 P CA 0.168 63.325 63.100 0.094 0.000 0.796 883 P CB 0.009 31.742 31.700 0.055 0.000 1.068 884 S N 0.593 116.336 115.700 0.071 0.000 2.400 884 S HA -0.160 4.310 4.470 -0.000 0.000 0.232 884 S C 2.029 176.639 174.600 0.016 0.000 1.025 884 S CA 1.718 59.929 58.200 0.018 0.000 0.993 884 S CB -1.641 61.594 63.200 0.059 0.000 0.808 884 S HN 0.298 nan 8.310 nan 0.000 0.478 885 S N 2.549 118.305 115.700 0.093 0.000 2.383 885 S HA -0.084 4.386 4.470 -0.000 0.000 0.227 885 S C 1.812 176.502 174.600 0.151 0.000 1.026 885 S CA 1.106 59.400 58.200 0.157 0.000 0.981 885 S CB -0.554 62.767 63.200 0.203 0.000 0.818 885 S HN 0.677 nan 8.310 nan 0.000 0.472 886 K N 1.344 121.808 120.400 0.107 0.000 2.097 886 K HA -0.064 4.256 4.320 -0.000 0.000 0.206 886 K C 1.899 178.531 176.600 0.053 0.000 1.049 886 K CA 1.446 57.789 56.287 0.094 0.000 0.933 886 K CB -0.393 32.153 32.500 0.076 0.000 0.717 886 K HN 0.306 nan 8.250 nan 0.000 0.442 887 V N 0.733 120.635 119.914 -0.019 0.000 2.295 887 V HA -0.226 3.894 4.120 -0.000 0.000 0.246 887 V C 2.318 178.385 176.094 -0.044 0.000 1.049 887 V CA 1.609 63.856 62.300 -0.088 0.000 1.024 887 V CB -0.253 31.410 31.823 -0.267 0.000 0.648 887 V HN 0.174 nan 8.190 nan 0.000 0.447 888 V N 1.005 120.867 119.914 -0.086 0.000 2.427 888 V HA -0.138 3.982 4.120 -0.000 0.000 0.248 888 V C 2.619 178.670 176.094 -0.073 0.000 1.051 888 V CA 1.993 64.230 62.300 -0.104 0.000 1.048 888 V CB -1.387 30.167 31.823 -0.450 0.000 0.666 888 V HN 0.606 nan 8.190 nan 0.000 0.456 889 G N -0.145 108.724 108.800 0.115 0.000 2.421 889 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.216 889 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.216 889 G C 1.244 176.235 174.900 0.152 0.000 1.171 889 G CA 1.050 46.309 45.100 0.265 0.000 0.775 889 G HN 0.483 nan 8.290 nan 0.000 0.543 890 D N -0.014 120.451 120.400 0.109 0.000 2.123 890 D HA -0.109 4.531 4.640 -0.000 0.000 0.196 890 D C 2.311 178.665 176.300 0.090 0.000 0.992 890 D CA 1.077 55.129 54.000 0.088 0.000 0.833 890 D CB -0.296 40.547 40.800 0.073 0.000 0.954 890 D HN 0.260 nan 8.370 nan 0.000 0.455 891 M N 0.959 120.632 119.600 0.122 0.000 2.086 891 M HA -0.044 4.436 4.480 -0.000 0.000 0.261 891 M C 1.925 178.256 176.300 0.053 0.000 1.067 891 M CA 1.476 56.850 55.300 0.124 0.000 1.116 891 M CB -0.519 32.227 32.600 0.243 0.000 1.348 891 M HN -0.025 nan 8.290 nan 0.000 0.407 892 A N 0.111 122.966 122.820 0.059 0.000 1.883 892 A HA -0.148 4.172 4.320 -0.000 0.000 0.217 892 A C 2.192 179.795 177.584 0.031 0.000 1.186 892 A CA 1.998 54.062 52.037 0.045 0.000 0.624 892 A CB -1.254 17.813 19.000 0.112 0.000 0.822 892 A HN 0.593 nan 8.150 nan 0.000 0.444 893 L N -1.304 119.950 121.223 0.053 0.000 2.042 893 L HA -0.226 4.114 4.340 -0.000 0.000 0.210 893 L C 2.842 179.721 176.870 0.015 0.000 1.076 893 L CA 1.952 56.816 54.840 0.040 0.000 0.749 893 L CB -0.470 41.624 42.059 0.058 0.000 0.893 893 L HN 0.612 nan 8.230 nan 0.000 0.432 894 M N -0.718 118.886 119.600 0.007 0.000 2.175 894 M HA -0.220 4.260 4.480 -0.000 0.000 0.264 894 M C 2.355 178.628 176.300 -0.045 0.000 1.063 894 M CA 1.703 56.989 55.300 -0.025 0.000 1.119 894 M CB 0.026 32.601 32.600 -0.043 0.000 1.377 894 M HN 0.167 nan 8.290 nan 0.000 0.415 895 M N -0.510 119.064 119.600 -0.042 0.000 2.117 895 M HA -0.194 4.286 4.480 -0.000 0.000 0.262 895 M C 1.945 178.222 176.300 -0.038 0.000 1.065 895 M CA 1.411 56.679 55.300 -0.053 0.000 1.114 895 M CB -0.353 32.217 32.600 -0.049 0.000 1.361 895 M HN 0.217 nan 8.290 nan 0.000 0.408 896 V N -0.701 119.199 119.914 -0.024 0.000 2.283 896 V HA -0.211 3.909 4.120 -0.000 0.000 0.243 896 V C 2.284 178.369 176.094 -0.014 0.000 1.039 896 V CA 1.983 64.273 62.300 -0.018 0.000 1.016 896 V CB -0.851 30.964 31.823 -0.014 0.000 0.650 896 V HN 0.415 nan 8.190 nan 0.000 0.449 897 S N 0.164 115.858 115.700 -0.010 0.000 2.381 897 S HA -0.327 4.143 4.470 -0.000 0.000 0.230 897 S C 1.723 176.310 174.600 -0.021 0.000 1.052 897 S CA 2.032 60.226 58.200 -0.011 0.000 1.068 897 S CB -0.379 62.816 63.200 -0.009 0.000 0.918 897 S HN 0.750 nan 8.310 nan 0.000 0.448 898 Q N 0.266 120.046 119.800 -0.034 0.000 2.247 898 Q HA 0.183 4.523 4.340 -0.000 0.000 0.204 898 Q C -0.569 175.406 176.000 -0.042 0.000 0.872 898 Q CA 0.019 55.796 55.803 -0.042 0.000 0.951 898 Q CB 0.201 28.901 28.738 -0.063 0.000 1.099 898 Q HN 0.367 nan 8.270 nan 0.000 0.501 899 D N 1.118 121.497 120.400 -0.035 0.000 2.737 899 D HA -0.174 4.466 4.640 -0.000 0.000 0.238 899 D C -1.447 174.828 176.300 -0.042 0.000 1.157 899 D CA 0.574 54.554 54.000 -0.032 0.000 0.694 899 D CB -1.062 39.724 40.800 -0.024 0.000 1.021 899 D HN 0.259 nan 8.370 nan 0.000 0.420 900 L N 1.231 122.422 121.223 -0.053 0.000 2.305 900 L HA 0.466 4.806 4.340 -0.000 0.000 0.284 900 L C 1.311 178.146 176.870 -0.057 0.000 1.013 900 L CA -0.627 54.173 54.840 -0.065 0.000 0.819 900 L CB 1.730 43.730 42.059 -0.098 0.000 1.227 900 L HN 0.232 nan 8.230 nan 0.000 0.417 901 T N -0.777 113.748 114.554 -0.049 0.000 2.788 901 T HA 0.195 4.545 4.350 -0.000 0.000 0.287 901 T C 1.404 176.071 174.700 -0.055 0.000 1.007 901 T CA -0.811 61.263 62.100 -0.044 0.000 1.005 901 T CB 1.409 70.257 68.868 -0.033 0.000 1.012 901 T HN 0.211 nan 8.240 nan 0.000 0.530 902 V N 1.798 121.679 119.914 -0.056 0.000 2.324 902 V HA -0.204 3.916 4.120 -0.000 0.000 0.250 902 V C 3.109 179.175 176.094 -0.047 0.000 1.060 902 V CA 2.453 64.714 62.300 -0.066 0.000 1.042 902 V CB -1.732 30.050 31.823 -0.069 0.000 0.650 902 V HN 1.084 nan 8.190 nan 0.000 0.450 903 A N -0.228 122.570 122.820 -0.036 0.000 1.908 903 A HA -0.268 4.052 4.320 -0.000 0.000 0.218 903 A C 2.022 179.591 177.584 -0.024 0.000 1.181 903 A CA 2.079 54.101 52.037 -0.025 0.000 0.627 903 A CB -0.646 18.342 19.000 -0.021 0.000 0.818 903 A HN 0.550 nan 8.150 nan 0.000 0.445 904 D N -0.165 120.215 120.400 -0.033 0.000 2.104 904 D HA -0.122 4.518 4.640 -0.000 0.000 0.194 904 D C 2.123 178.396 176.300 -0.044 0.000 0.994 904 D CA 1.606 55.582 54.000 -0.040 0.000 0.830 904 D CB -0.608 40.160 40.800 -0.053 0.000 0.959 904 D HN 0.208 nan 8.370 nan 0.000 0.452 905 V N 1.174 121.055 119.914 -0.055 0.000 2.324 905 V HA -0.220 3.900 4.120 -0.000 0.000 0.250 905 V C 2.621 178.757 176.094 0.069 0.000 1.060 905 V CA 1.947 64.219 62.300 -0.047 0.000 1.042 905 V CB -0.651 31.140 31.823 -0.053 0.000 0.650 905 V HN 0.215 nan 8.190 nan 0.000 0.450 906 V N -1.354 118.585 119.914 0.041 0.000 3.354 906 V HA 0.147 4.267 4.120 -0.000 0.000 0.258 906 V C 1.350 177.470 176.094 0.043 0.000 1.159 906 V CA 0.542 62.877 62.300 0.057 0.000 1.125 906 V CB -0.356 31.476 31.823 0.015 0.000 0.774 906 V HN 0.529 nan 8.190 nan 0.000 0.464 907 S N 2.498 118.212 115.700 0.024 0.000 2.560 907 S HA 0.216 4.686 4.470 -0.000 0.000 0.284 907 S C -0.627 173.987 174.600 0.023 0.000 1.327 907 S CA -0.071 58.138 58.200 0.014 0.000 1.055 907 S CB 0.695 63.895 63.200 0.001 0.000 0.868 907 S HN 0.481 nan 8.310 nan 0.000 0.506 908 P HA -0.005 nan 4.420 nan 0.000 0.230 908 P C -0.220 177.089 177.300 0.015 0.000 1.158 908 P CA 1.026 64.137 63.100 0.019 0.000 0.769 908 P CB -0.305 31.402 31.700 0.012 0.000 0.807 909 D N -1.636 118.768 120.400 0.008 0.000 2.501 909 D HA 0.149 4.789 4.640 -0.000 0.000 0.224 909 D C 0.476 176.774 176.300 -0.003 0.000 1.202 909 D CA -0.268 53.734 54.000 0.003 0.000 0.829 909 D CB 0.029 40.829 40.800 0.000 0.000 1.023 909 D HN -0.032 nan 8.370 nan 0.000 0.499 910 R N 0.818 121.316 120.500 -0.004 0.000 2.409 910 R HA 0.333 4.673 4.340 -0.000 0.000 0.313 910 R C -1.072 175.217 176.300 -0.019 0.000 0.953 910 R CA -0.400 55.689 56.100 -0.018 0.000 0.849 910 R CB 0.812 31.094 30.300 -0.030 0.000 1.171 910 R HN -0.214 nan 8.270 nan 0.000 0.458 911 E N 2.057 122.244 120.200 -0.022 0.000 2.360 911 E HA 0.298 4.648 4.350 -0.000 0.000 0.269 911 E C -0.570 175.987 176.600 -0.071 0.000 1.022 911 E CA -0.299 56.089 56.400 -0.021 0.000 0.887 911 E CB 1.445 31.138 29.700 -0.013 0.000 0.990 911 E HN 0.394 nan 8.360 nan 0.000 0.426 912 V N 1.995 121.851 119.914 -0.097 0.000 2.686 912 V HA 0.411 4.531 4.120 -0.000 0.000 0.306 912 V C -0.095 175.879 176.094 -0.200 0.000 1.065 912 V CA -0.863 61.275 62.300 -0.270 0.000 0.894 912 V CB 2.414 33.861 31.823 -0.628 0.000 1.004 912 V HN 0.830 nan 8.190 nan 0.000 0.424 913 S N 4.392 119.989 115.700 -0.172 0.000 2.464 913 S HA 0.601 5.071 4.470 -0.000 0.000 0.313 913 S C -0.535 174.023 174.600 -0.070 0.000 1.078 913 S CA -0.400 57.772 58.200 -0.047 0.000 1.096 913 S CB -0.342 62.846 63.200 -0.019 0.000 1.032 913 S HN 0.352 nan 8.310 nan 0.000 0.498 914 F N 3.237 123.181 119.950 -0.010 0.000 2.506 914 F HA 0.331 4.858 4.527 -0.000 0.000 0.351 914 F C -1.663 174.135 175.800 -0.004 0.000 1.136 914 F CA -1.657 56.339 58.000 -0.006 0.000 1.298 914 F CB 0.006 39.001 39.000 -0.009 0.000 1.145 914 F HN 0.369 nan 8.300 nan 0.000 0.593 915 P HA -0.025 nan 4.420 nan 0.000 0.267 915 P C 0.317 177.673 177.300 0.093 0.000 1.200 915 P CA 0.001 63.164 63.100 0.105 0.000 0.772 915 P CB 0.466 32.222 31.700 0.093 0.000 0.855 916 E N 1.106 121.338 120.200 0.053 0.000 2.268 916 E HA -0.180 4.170 4.350 -0.000 0.000 0.195 916 E C 1.336 177.931 176.600 -0.009 0.000 0.995 916 E CA 1.450 57.864 56.400 0.024 0.000 0.836 916 E CB -0.448 29.265 29.700 0.021 0.000 0.763 916 E HN 0.402 nan 8.360 nan 0.000 0.491 917 S N 0.594 116.291 115.700 -0.005 0.000 2.383 917 S HA -0.111 4.359 4.470 -0.000 0.000 0.227 917 S C 2.085 176.620 174.600 -0.108 0.000 1.026 917 S CA 0.989 59.162 58.200 -0.044 0.000 0.981 917 S CB -0.455 62.732 63.200 -0.022 0.000 0.818 917 S HN 0.188 nan 8.310 nan 0.000 0.472 918 V N 1.773 121.651 119.914 -0.060 0.000 2.323 918 V HA -0.101 4.019 4.120 -0.000 0.000 0.244 918 V C 2.689 178.666 176.094 -0.196 0.000 1.041 918 V CA 1.494 63.736 62.300 -0.095 0.000 1.025 918 V CB -0.807 31.111 31.823 0.159 0.000 0.656 918 V HN 0.446 nan 8.190 nan 0.000 0.451 919 V N -0.029 119.811 119.914 -0.124 0.000 2.287 919 V HA -0.282 3.838 4.120 -0.000 0.000 0.248 919 V C 2.701 178.667 176.094 -0.213 0.000 1.053 919 V CA 2.509 64.706 62.300 -0.172 0.000 1.027 919 V CB -0.853 30.922 31.823 -0.080 0.000 0.646 919 V HN 0.634 nan 8.190 nan 0.000 0.447 920 S N -0.830 114.767 115.700 -0.172 0.000 2.368 920 S HA -0.260 4.210 4.470 -0.000 0.000 0.225 920 S C 2.065 176.501 174.600 -0.274 0.000 1.030 920 S CA 2.229 60.326 58.200 -0.171 0.000 0.999 920 S CB -0.343 62.793 63.200 -0.107 0.000 0.844 920 S HN 0.530 nan 8.310 nan 0.000 0.459 921 M N 0.535 119.916 119.600 -0.364 0.000 2.086 921 M HA -0.035 4.445 4.480 -0.000 0.000 0.261 921 M C 1.861 177.614 176.300 -0.912 0.000 1.067 921 M CA 1.642 56.607 55.300 -0.560 0.000 1.116 921 M CB -0.244 31.948 32.600 -0.681 0.000 1.348 921 M HN 0.384 nan 8.290 nan 0.000 0.407 922 L N -0.143 120.550 121.223 -0.884 0.000 2.201 922 L HA -0.184 4.156 4.340 -0.000 0.000 0.212 922 L C 2.501 179.013 176.870 -0.597 0.000 1.105 922 L CA 1.067 55.331 54.840 -0.960 0.000 0.775 922 L CB -0.697 41.005 42.059 -0.594 0.000 0.913 922 L HN 0.362 nan 8.230 nan 0.000 0.440 923 K N 0.224 120.361 120.400 -0.437 0.000 2.097 923 K HA -0.138 4.182 4.320 -0.000 0.000 0.206 923 K C 1.298 177.569 176.600 -0.548 0.000 1.049 923 K CA 1.464 57.548 56.287 -0.338 0.000 0.933 923 K CB 0.016 32.389 32.500 -0.213 0.000 0.717 923 K HN 0.384 nan 8.250 nan 0.000 0.442 924 G N 0.038 108.493 108.800 -0.575 0.000 2.370 924 G HA2 -0.125 3.835 3.960 -0.000 0.000 0.174 924 G HA3 -0.125 3.835 3.960 -0.000 0.000 0.174 924 G C 0.094 174.738 174.900 -0.426 0.000 1.002 924 G CA 0.203 44.907 45.100 -0.659 0.000 0.730 924 G HN 0.277 nan 8.290 nan 0.000 0.497 925 D N 0.208 120.471 120.400 -0.228 0.000 2.310 925 D HA 0.042 4.682 4.640 -0.000 0.000 0.212 925 D C 2.087 178.409 176.300 0.037 0.000 0.965 925 D CA 0.615 54.626 54.000 0.017 0.000 0.879 925 D CB 0.242 41.036 40.800 -0.010 0.000 0.921 925 D HN 0.355 nan 8.370 nan 0.000 0.510 926 L N -0.880 120.353 121.223 0.018 0.000 2.640 926 L HA 0.326 4.666 4.340 -0.000 0.000 0.230 926 L C 1.265 178.242 176.870 0.180 0.000 1.123 926 L CA 0.275 55.161 54.840 0.077 0.000 0.900 926 L CB -0.006 42.080 42.059 0.046 0.000 1.146 926 L HN 0.080 nan 8.230 nan 0.000 0.484 927 G N -0.489 108.437 108.800 0.210 0.000 2.500 927 G HA2 -0.116 3.844 3.960 -0.000 0.000 0.209 927 G HA3 -0.116 3.844 3.960 -0.000 0.000 0.209 927 G C -0.845 173.978 174.900 -0.129 0.000 1.283 927 G CA -0.803 44.443 45.100 0.243 0.000 0.960 927 G HN -0.002 nan 8.290 nan 0.000 0.528 928 Q N 0.895 120.191 119.800 -0.841 0.000 2.330 928 Q HA 0.546 4.886 4.340 -0.000 0.000 0.269 928 Q C -2.305 173.089 176.000 -1.010 0.000 1.022 928 Q CA -1.526 53.640 55.803 -1.062 0.000 0.796 928 Q CB 2.566 30.478 28.738 -1.377 0.000 1.271 928 Q HN 0.571 nan 8.270 nan 0.000 0.450 929 P HA 0.252 nan 4.420 nan 0.000 0.276 929 P C -2.102 174.862 177.300 -0.559 0.000 1.244 929 P CA -1.421 61.267 63.100 -0.686 0.000 0.801 929 P CB 0.671 31.851 31.700 -0.867 0.000 1.006 930 P HA -0.080 nan 4.420 nan 0.000 0.222 930 P C 1.519 178.667 177.300 -0.252 0.000 1.147 930 P CA 1.280 64.239 63.100 -0.234 0.000 0.790 930 P CB -0.041 31.600 31.700 -0.099 0.000 0.780 931 S N -1.586 113.935 115.700 -0.299 0.000 2.548 931 S HA 0.383 4.853 4.470 -0.000 0.000 0.215 931 S C 0.963 175.390 174.600 -0.287 0.000 0.976 931 S CA 0.485 58.533 58.200 -0.253 0.000 0.908 931 S CB -0.976 62.088 63.200 -0.225 0.000 0.781 931 S HN 0.347 nan 8.310 nan 0.000 0.519 932 G N 0.174 108.710 108.800 -0.439 0.000 2.860 932 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.553 932 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.553 932 G C -0.617 173.960 174.900 -0.538 0.000 1.439 932 G CA -0.404 44.405 45.100 -0.485 0.000 0.879 932 G HN 0.468 nan 8.290 nan 0.000 0.545 933 W N 0.221 121.451 121.300 -0.117 0.000 2.316 933 W HA 0.522 5.182 4.660 -0.000 0.000 0.321 933 W C -1.604 174.882 176.519 -0.055 0.000 1.203 933 W CA -1.646 55.652 57.345 -0.078 0.000 1.214 933 W CB 0.689 30.090 29.460 -0.099 0.000 1.169 933 W HN 0.462 nan 8.180 nan 0.000 0.561 934 P HA -0.057 nan 4.420 nan 0.000 0.263 934 P C 0.319 177.669 177.300 0.083 0.000 1.195 934 P CA 0.485 63.654 63.100 0.115 0.000 0.762 934 P CB 0.686 32.449 31.700 0.105 0.000 0.799 935 E N 2.470 122.695 120.200 0.041 0.000 2.047 935 E HA -0.192 4.158 4.350 -0.000 0.000 0.191 935 E C 1.932 178.533 176.600 0.002 0.000 0.987 935 E CA 1.456 57.869 56.400 0.021 0.000 0.799 935 E CB -0.254 29.451 29.700 0.009 0.000 0.752 935 E HN 0.527 nan 8.360 nan 0.000 0.449 936 A N 1.300 124.121 122.820 0.000 0.000 1.877 936 A HA -0.167 4.153 4.320 -0.000 0.000 0.216 936 A C 2.194 179.764 177.584 -0.023 0.000 1.186 936 A CA 1.086 53.118 52.037 -0.007 0.000 0.620 936 A CB -0.609 18.391 19.000 -0.001 0.000 0.822 936 A HN 0.232 nan 8.150 nan 0.000 0.443 937 L N 0.034 121.241 121.223 -0.027 0.000 2.012 937 L HA -0.245 4.095 4.340 -0.000 0.000 0.210 937 L C 2.619 179.386 176.870 -0.172 0.000 1.073 937 L CA 2.839 57.633 54.840 -0.075 0.000 0.748 937 L CB -0.718 41.308 42.059 -0.055 0.000 0.891 937 L HN 0.641 nan 8.230 nan 0.000 0.431 938 Q N -0.426 119.308 119.800 -0.110 0.000 2.084 938 Q HA -0.296 4.044 4.340 -0.000 0.000 0.202 938 Q C 2.374 178.282 176.000 -0.154 0.000 0.978 938 Q CA 2.103 57.813 55.803 -0.155 0.000 0.844 938 Q CB -0.251 28.447 28.738 -0.067 0.000 0.898 938 Q HN 0.594 nan 8.270 nan 0.000 0.426 939 K N 0.578 120.924 120.400 -0.090 0.000 2.032 939 K HA -0.223 4.097 4.320 -0.000 0.000 0.209 939 K C 2.246 178.800 176.600 -0.076 0.000 1.048 939 K CA 1.730 57.978 56.287 -0.066 0.000 0.927 939 K CB -0.090 32.390 32.500 -0.032 0.000 0.712 939 K HN 0.103 nan 8.250 nan 0.000 0.441 940 K N 0.000 120.353 120.400 -0.078 0.000 2.009 940 K HA -0.155 4.165 4.320 -0.000 0.000 0.210 940 K C 1.951 178.496 176.600 -0.092 0.000 1.049 940 K CA 1.480 57.750 56.287 -0.029 0.000 0.929 940 K CB -0.212 32.322 32.500 0.058 0.000 0.714 940 K HN 0.218 nan 8.250 nan 0.000 0.440 941 A N 0.885 123.459 122.820 -0.410 0.000 1.930 941 A HA -0.074 4.246 4.320 -0.000 0.000 0.217 941 A C 2.023 179.451 177.584 -0.259 0.000 1.175 941 A CA 1.137 52.773 52.037 -0.669 0.000 0.627 941 A CB -0.438 17.849 19.000 -1.188 0.000 0.815 941 A HN 0.345 nan 8.150 nan 0.000 0.443 942 L N -1.305 119.800 121.223 -0.195 0.000 2.478 942 L HA -0.009 4.331 4.340 -0.000 0.000 0.223 942 L C 0.290 177.128 176.870 -0.053 0.000 1.140 942 L CA 0.392 55.163 54.840 -0.117 0.000 0.842 942 L CB -0.245 41.748 42.059 -0.111 0.000 0.953 942 L HN 0.350 nan 8.230 nan 0.000 0.452 943 K N 0.509 120.889 120.400 -0.034 0.000 3.156 943 K HA -0.270 4.050 4.320 -0.000 0.000 0.266 943 K C 0.978 177.576 176.600 -0.004 0.000 0.966 943 K CA 0.254 56.540 56.287 -0.002 0.000 0.719 943 K CB -1.914 30.597 32.500 0.019 0.000 1.333 943 K HN 0.626 nan 8.250 nan 0.000 0.468 944 G N -0.023 108.770 108.800 -0.011 0.000 2.234 944 G HA2 -0.345 3.615 3.960 -0.000 0.000 0.235 944 G HA3 -0.345 3.615 3.960 -0.000 0.000 0.235 944 G C -0.054 174.843 174.900 -0.005 0.000 0.997 944 G CA 0.323 45.420 45.100 -0.005 0.000 0.623 944 G HN 0.518 nan 8.290 nan 0.000 0.514 945 E N 1.538 121.731 120.200 -0.010 0.000 2.360 945 E HA 0.523 4.873 4.350 -0.000 0.000 0.269 945 E C 0.733 177.330 176.600 -0.004 0.000 1.022 945 E CA 0.322 56.720 56.400 -0.004 0.000 0.887 945 E CB 0.306 30.000 29.700 -0.010 0.000 0.990 945 E HN 0.620 nan 8.360 nan 0.000 0.426 946 K N 4.972 125.382 120.400 0.016 0.000 2.322 946 K HA 0.261 4.581 4.320 -0.000 0.000 0.283 946 K C -2.450 174.175 176.600 0.041 0.000 1.042 946 K CA -1.270 55.033 56.287 0.026 0.000 0.958 946 K CB 0.111 32.635 32.500 0.040 0.000 0.984 946 K HN 0.449 nan 8.250 nan 0.000 0.473 947 P HA 0.426 nan 4.420 nan 0.000 0.278 947 P C -1.121 176.232 177.300 0.088 0.000 1.258 947 P CA -0.336 62.758 63.100 -0.011 0.000 0.811 947 P CB 0.344 32.014 31.700 -0.049 0.000 1.063 948 Y N -2.973 117.343 120.300 0.027 0.000 2.536 948 Y HA 0.675 5.225 4.550 -0.000 0.000 0.347 948 Y C 0.726 176.665 175.900 0.066 0.000 1.000 948 Y CA -0.818 57.307 58.100 0.042 0.000 1.051 948 Y CB 1.072 39.555 38.460 0.038 0.000 1.259 948 Y HN 0.389 nan 8.280 nan 0.000 0.468 949 T N -1.269 113.424 114.554 0.233 0.000 3.040 949 T HA 0.269 4.619 4.350 -0.000 0.000 0.266 949 T C 0.306 175.169 174.700 0.272 0.000 1.005 949 T CA 0.343 62.520 62.100 0.129 0.000 0.906 949 T CB -0.756 68.141 68.868 0.048 0.000 1.082 949 T HN 0.782 nan 8.240 nan 0.000 0.531 950 V N -0.319 119.841 119.914 0.410 0.000 3.214 950 V HA 0.512 4.632 4.120 -0.000 0.000 0.306 950 V C 0.638 177.063 176.094 0.552 0.000 1.078 950 V CA -1.534 61.011 62.300 0.408 0.000 1.077 950 V CB 0.508 32.462 31.823 0.218 0.000 1.121 950 V HN 0.415 nan 8.190 nan 0.000 0.468 951 R N 2.427 123.148 120.500 0.369 0.000 2.458 951 R HA 0.140 4.480 4.340 -0.000 0.000 0.303 951 R C -1.714 174.713 176.300 0.212 0.000 1.013 951 R CA -0.719 55.504 56.100 0.206 0.000 1.026 951 R CB 0.566 30.789 30.300 -0.128 0.000 0.948 951 R HN 0.633 nan 8.270 nan 0.000 0.417 952 P HA -0.130 nan 4.420 nan 0.000 0.216 952 P C 0.874 178.188 177.300 0.024 0.000 1.150 952 P CA 1.641 64.879 63.100 0.228 0.000 0.843 952 P CB 0.110 31.958 31.700 0.247 0.000 0.787 953 G N -0.334 108.469 108.800 0.005 0.000 2.471 953 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.219 953 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.219 953 G C 1.579 176.448 174.900 -0.051 0.000 1.125 953 G CA 0.954 46.031 45.100 -0.037 0.000 0.775 953 G HN 0.407 nan 8.290 nan 0.000 0.548 954 S N 0.034 115.704 115.700 -0.050 0.000 2.507 954 S HA 0.120 4.590 4.470 -0.000 0.000 0.235 954 S C 1.981 176.532 174.600 -0.081 0.000 0.988 954 S CA 0.417 58.583 58.200 -0.057 0.000 0.944 954 S CB -0.175 63.000 63.200 -0.042 0.000 0.762 954 S HN 0.291 nan 8.310 nan 0.000 0.526 955 L N 0.032 121.182 121.223 -0.122 0.000 2.585 955 L HA 0.354 4.694 4.340 -0.000 0.000 0.226 955 L C -0.325 176.471 176.870 -0.123 0.000 1.113 955 L CA -0.193 54.548 54.840 -0.164 0.000 0.876 955 L CB 0.000 41.870 42.059 -0.315 0.000 1.072 955 L HN 0.255 nan 8.230 nan 0.000 0.468 956 L N -0.081 121.086 121.223 -0.094 0.000 2.334 956 L HA 0.332 4.672 4.340 -0.000 0.000 0.275 956 L C 0.800 177.639 176.870 -0.051 0.000 1.036 956 L CA 0.011 54.807 54.840 -0.074 0.000 0.807 956 L CB 1.214 43.229 42.059 -0.072 0.000 1.231 956 L HN -0.103 nan 8.230 nan 0.000 0.438 957 K N 1.137 121.514 120.400 -0.038 0.000 3.237 957 K HA 0.245 4.565 4.320 -0.000 0.000 0.182 957 K C -0.209 176.382 176.600 -0.016 0.000 1.145 957 K CA -0.096 56.175 56.287 -0.027 0.000 1.470 957 K CB 0.060 32.548 32.500 -0.020 0.000 2.031 957 K HN 0.489 nan 8.250 nan 0.000 0.521 958 E N -0.330 119.866 120.200 -0.006 0.000 2.222 958 E HA 0.442 4.792 4.350 -0.000 0.000 0.267 958 E C -1.376 175.230 176.600 0.009 0.000 0.884 958 E CA -0.569 55.833 56.400 0.004 0.000 0.764 958 E CB 2.087 31.791 29.700 0.007 0.000 1.169 958 E HN 0.476 nan 8.360 nan 0.000 0.413 959 A N 2.863 125.691 122.820 0.014 0.000 2.407 959 A HA 0.085 4.405 4.320 -0.000 0.000 0.248 959 A C -0.084 177.521 177.584 0.035 0.000 1.082 959 A CA -0.198 51.853 52.037 0.024 0.000 0.785 959 A CB 0.457 19.469 19.000 0.019 0.000 1.020 959 A HN 0.607 nan 8.150 nan 0.000 0.489 960 D N 2.362 122.791 120.400 0.047 0.000 2.468 960 D HA 0.276 4.916 4.640 -0.000 0.000 0.218 960 D C 0.910 177.258 176.300 0.079 0.000 1.155 960 D CA -0.071 53.959 54.000 0.049 0.000 0.924 960 D CB 0.081 40.905 40.800 0.041 0.000 1.029 960 D HN 0.439 nan 8.370 nan 0.000 0.515 961 L N 2.152 123.424 121.223 0.082 0.000 2.141 961 L HA -0.095 4.245 4.340 -0.000 0.000 0.209 961 L C 1.557 178.459 176.870 0.053 0.000 1.094 961 L CA 0.685 55.621 54.840 0.159 0.000 0.763 961 L CB -0.057 42.074 42.059 0.119 0.000 0.908 961 L HN 0.255 nan 8.230 nan 0.000 0.437 962 D N 0.453 120.846 120.400 -0.012 0.000 2.144 962 D HA -0.116 4.524 4.640 -0.000 0.000 0.200 962 D C 2.241 178.501 176.300 -0.067 0.000 0.978 962 D CA 1.425 55.378 54.000 -0.079 0.000 0.833 962 D CB 0.059 40.830 40.800 -0.049 0.000 0.961 962 D HN 0.301 nan 8.370 nan 0.000 0.470 963 A N 1.175 123.993 122.820 -0.004 0.000 1.897 963 A HA -0.147 4.173 4.320 -0.000 0.000 0.215 963 A C 2.042 179.660 177.584 0.057 0.000 1.181 963 A CA 1.016 53.064 52.037 0.018 0.000 0.620 963 A CB -0.327 18.694 19.000 0.036 0.000 0.821 963 A HN 0.119 nan 8.150 nan 0.000 0.443 964 E N -0.553 119.727 120.200 0.134 0.000 2.077 964 E HA -0.238 4.112 4.350 -0.000 0.000 0.193 964 E C 2.230 178.968 176.600 0.230 0.000 0.989 964 E CA 1.344 57.923 56.400 0.297 0.000 0.800 964 E CB -0.188 29.785 29.700 0.456 0.000 0.746 964 E HN 0.556 nan 8.360 nan 0.000 0.452 965 R N 1.741 122.149 120.500 -0.153 0.000 2.091 965 R HA -0.140 4.200 4.340 -0.000 0.000 0.238 965 R C 2.049 178.194 176.300 -0.259 0.000 1.136 965 R CA 1.606 57.357 56.100 -0.582 0.000 0.959 965 R CB 0.026 29.782 30.300 -0.907 0.000 0.856 965 R HN -0.013 nan 8.270 nan 0.000 0.437 966 K N -0.512 119.798 120.400 -0.150 0.000 2.148 966 K HA -0.074 4.246 4.320 -0.000 0.000 0.204 966 K C 1.956 178.524 176.600 -0.053 0.000 1.050 966 K CA 1.381 57.613 56.287 -0.091 0.000 0.942 966 K CB -0.024 32.441 32.500 -0.057 0.000 0.724 966 K HN 0.031 nan 8.250 nan 0.000 0.446 967 V N 1.547 121.455 119.914 -0.010 0.000 2.261 967 V HA -0.255 3.865 4.120 -0.000 0.000 0.246 967 V C 2.180 178.238 176.094 -0.059 0.000 1.047 967 V CA 1.626 63.940 62.300 0.024 0.000 1.015 967 V CB -0.331 31.576 31.823 0.141 0.000 0.642 967 V HN 0.260 nan 8.190 nan 0.000 0.446 968 I N 0.070 120.502 120.570 -0.229 0.000 2.315 968 I HA -0.173 3.997 4.170 -0.000 0.000 0.248 968 I C 2.362 178.393 176.117 -0.143 0.000 1.117 968 I CA 1.570 62.643 61.300 -0.377 0.000 1.404 968 I CB -0.466 36.986 38.000 -0.912 0.000 1.071 968 I HN 0.377 nan 8.210 nan 0.000 0.419 969 E N 0.430 120.557 120.200 -0.121 0.000 2.077 969 E HA -0.269 4.081 4.350 -0.000 0.000 0.193 969 E C 2.333 178.906 176.600 -0.045 0.000 0.989 969 E CA 1.780 58.138 56.400 -0.070 0.000 0.800 969 E CB -0.300 29.346 29.700 -0.090 0.000 0.746 969 E HN 0.592 nan 8.360 nan 0.000 0.452 970 K N 1.758 122.133 120.400 -0.042 0.000 2.032 970 K HA -0.227 4.093 4.320 -0.000 0.000 0.209 970 K C 1.861 178.453 176.600 -0.013 0.000 1.048 970 K CA 1.968 58.242 56.287 -0.022 0.000 0.927 970 K CB -0.625 31.868 32.500 -0.012 0.000 0.712 970 K HN -0.028 nan 8.250 nan 0.000 0.441 971 K N 0.490 120.884 120.400 -0.010 0.000 2.026 971 K HA 0.024 4.344 4.320 -0.000 0.000 0.208 971 K C 1.935 178.534 176.600 -0.002 0.000 1.048 971 K CA 1.623 57.913 56.287 0.005 0.000 0.929 971 K CB -0.300 32.213 32.500 0.022 0.000 0.713 971 K HN 0.386 nan 8.250 nan 0.000 0.439 972 L N 0.528 121.747 121.223 -0.006 0.000 2.492 972 L HA 0.088 4.428 4.340 -0.000 0.000 0.223 972 L C 0.047 176.908 176.870 -0.015 0.000 1.132 972 L CA 0.515 55.349 54.840 -0.009 0.000 0.850 972 L CB -0.386 41.681 42.059 0.013 0.000 0.966 972 L HN 0.336 nan 8.230 nan 0.000 0.454 973 E N 0.822 121.013 120.200 -0.015 0.000 2.513 973 E HA -0.225 4.125 4.350 -0.000 0.000 0.257 973 E C -0.092 176.498 176.600 -0.017 0.000 1.098 973 E CA 0.373 56.762 56.400 -0.017 0.000 0.752 973 E CB -1.163 28.526 29.700 -0.018 0.000 1.324 973 E HN 0.675 nan 8.360 nan 0.000 0.403 974 R N -1.548 118.944 120.500 -0.015 0.000 2.741 974 R HA 0.481 4.821 4.340 -0.000 0.000 0.276 974 R C -1.121 175.171 176.300 -0.014 0.000 1.028 974 R CA -1.083 55.009 56.100 -0.012 0.000 0.865 974 R CB 0.913 31.211 30.300 -0.005 0.000 1.268 974 R HN -0.066 nan 8.270 nan 0.000 0.475 975 E N 0.794 120.984 120.200 -0.017 0.000 2.383 975 E HA 0.280 4.630 4.350 -0.000 0.000 0.264 975 E C -0.090 176.512 176.600 0.003 0.000 1.050 975 E CA -0.472 55.912 56.400 -0.026 0.000 0.896 975 E CB 1.468 31.148 29.700 -0.034 0.000 0.982 975 E HN 0.407 nan 8.360 nan 0.000 0.424 976 V N -0.540 119.375 119.914 0.001 0.000 2.881 976 V HA 0.560 4.680 4.120 -0.000 0.000 0.316 976 V C 0.111 176.218 176.094 0.022 0.000 1.070 976 V CA -0.943 61.393 62.300 0.059 0.000 0.976 976 V CB 1.692 33.586 31.823 0.118 0.000 1.038 976 V HN 0.748 nan 8.190 nan 0.000 0.446 977 S N 0.762 116.484 115.700 0.037 0.000 2.624 977 S HA 0.233 4.703 4.470 -0.000 0.000 0.263 977 S C 0.561 175.155 174.600 -0.010 0.000 1.287 977 S CA 0.100 58.273 58.200 -0.045 0.000 0.990 977 S CB 0.896 64.035 63.200 -0.102 0.000 0.950 977 S HN 0.802 nan 8.310 nan 0.000 0.561 978 D N 0.480 120.827 120.400 -0.089 0.000 2.182 978 D HA -0.059 4.581 4.640 -0.000 0.000 0.201 978 D C 1.443 177.800 176.300 0.096 0.000 0.986 978 D CA 1.174 55.220 54.000 0.078 0.000 0.847 978 D CB -0.367 40.398 40.800 -0.059 0.000 0.942 978 D HN 0.534 nan 8.370 nan 0.000 0.467 979 F N 1.395 121.153 119.950 -0.320 0.000 2.113 979 F HA -0.019 4.508 4.527 -0.000 0.000 0.297 979 F C 2.376 177.947 175.800 -0.381 0.000 1.103 979 F CA 0.480 57.971 58.000 -0.849 0.000 1.248 979 F CB -0.958 37.260 39.000 -1.305 0.000 0.999 979 F HN 0.023 nan 8.300 nan 0.000 0.475 980 E N -0.662 119.577 120.200 0.066 0.000 2.085 980 E HA -0.253 4.097 4.350 -0.000 0.000 0.194 980 E C 2.141 178.652 176.600 -0.147 0.000 0.994 980 E CA 1.319 57.715 56.400 -0.006 0.000 0.801 980 E CB -0.471 29.317 29.700 0.147 0.000 0.743 980 E HN 0.295 nan 8.360 nan 0.000 0.453 981 F N 1.561 121.479 119.950 -0.053 0.000 2.134 981 F HA -0.141 4.386 4.527 -0.000 0.000 0.299 981 F C 2.194 178.116 175.800 0.204 0.000 1.097 981 F CA 1.264 59.291 58.000 0.045 0.000 1.264 981 F CB -0.639 38.403 39.000 0.070 0.000 1.001 981 F HN -0.070 nan 8.300 nan 0.000 0.479 982 A N -0.563 122.415 122.820 0.263 0.000 1.908 982 A HA -0.199 4.121 4.320 -0.000 0.000 0.218 982 A C 2.430 180.284 177.584 0.449 0.000 1.181 982 A CA 2.138 54.401 52.037 0.377 0.000 0.627 982 A CB -1.307 18.065 19.000 0.620 0.000 0.818 982 A HN 0.434 nan 8.150 nan 0.000 0.445 983 S N -1.784 114.263 115.700 0.578 0.000 2.359 983 S HA -0.184 4.286 4.470 -0.000 0.000 0.224 983 S C 1.860 176.684 174.600 0.375 0.000 1.035 983 S CA 1.571 60.172 58.200 0.668 0.000 1.018 983 S CB -0.564 62.974 63.200 0.564 0.000 0.876 983 S HN 0.723 nan 8.310 nan 0.000 0.448 984 Y N 2.145 122.390 120.300 -0.092 0.000 2.224 984 Y HA -0.060 4.490 4.550 -0.000 0.000 0.289 984 Y C 1.852 177.787 175.900 0.058 0.000 1.146 984 Y CA 1.140 59.275 58.100 0.058 0.000 1.182 984 Y CB -0.463 38.007 38.460 0.017 0.000 0.983 984 Y HN 0.147 nan 8.280 nan 0.000 0.524 985 L N -0.875 120.210 121.223 -0.229 0.000 2.046 985 L HA -0.270 4.070 4.340 -0.000 0.000 0.208 985 L C 2.434 179.070 176.870 -0.390 0.000 1.077 985 L CA 1.222 55.825 54.840 -0.395 0.000 0.747 985 L CB -0.468 41.297 42.059 -0.490 0.000 0.896 985 L HN 0.307 nan 8.230 nan 0.000 0.432 986 M N -1.455 117.948 119.600 -0.329 0.000 2.160 986 M HA -0.087 4.393 4.480 -0.000 0.000 0.264 986 M C 0.206 176.325 176.300 -0.300 0.000 1.073 986 M CA 1.564 56.554 55.300 -0.517 0.000 1.142 986 M CB -0.313 32.012 32.600 -0.458 0.000 1.358 986 M HN 0.072 nan 8.290 nan 0.000 0.422 987 Y N -0.532 119.889 120.300 0.201 0.000 2.592 987 Y HA 0.261 4.811 4.550 -0.000 0.000 0.354 987 Y C -1.743 174.302 175.900 0.242 0.000 1.063 987 Y CA -1.941 56.320 58.100 0.268 0.000 1.205 987 Y CB 0.190 38.804 38.460 0.257 0.000 1.106 987 Y HN 0.077 nan 8.280 nan 0.000 0.649 988 P HA -0.244 nan 4.420 nan 0.000 0.215 988 P C 1.628 179.155 177.300 0.379 0.000 1.157 988 P CA 1.632 64.810 63.100 0.129 0.000 0.868 988 P CB 0.629 32.245 31.700 -0.140 0.000 0.788 989 K N 0.013 120.568 120.400 0.259 0.000 2.031 989 K HA -0.055 4.265 4.320 -0.000 0.000 0.205 989 K C 2.022 178.748 176.600 0.210 0.000 1.049 989 K CA 1.061 57.476 56.287 0.212 0.000 0.939 989 K CB -0.467 32.105 32.500 0.119 0.000 0.717 989 K HN -0.118 nan 8.250 nan 0.000 0.438 990 V N 1.505 121.547 119.914 0.213 0.000 2.287 990 V HA -0.248 3.872 4.120 -0.000 0.000 0.248 990 V C 2.165 178.416 176.094 0.262 0.000 1.053 990 V CA 2.008 64.403 62.300 0.159 0.000 1.027 990 V CB -0.625 31.239 31.823 0.069 0.000 0.646 990 V HN 0.340 nan 8.190 nan 0.000 0.447 991 F N 1.375 121.509 119.950 0.306 0.000 2.102 991 F HA -0.205 4.322 4.527 -0.000 0.000 0.298 991 F C 2.433 178.454 175.800 0.367 0.000 1.105 991 F CA 2.321 60.559 58.000 0.397 0.000 1.239 991 F CB -0.740 38.554 39.000 0.490 0.000 0.991 991 F HN 0.120 nan 8.300 nan 0.000 0.474 992 T N 0.295 114.984 114.554 0.224 0.000 2.684 992 T HA -0.207 4.143 4.350 -0.000 0.000 0.267 992 T C 1.451 176.112 174.700 -0.064 0.000 1.036 992 T CA 1.776 63.898 62.100 0.038 0.000 1.148 992 T CB -0.492 68.502 68.868 0.209 0.000 0.863 992 T HN 0.251 nan 8.240 nan 0.000 0.436 993 D N 0.455 120.877 120.400 0.035 0.000 2.123 993 D HA -0.062 4.578 4.640 -0.000 0.000 0.196 993 D C 1.674 177.985 176.300 0.019 0.000 0.992 993 D CA 0.705 54.724 54.000 0.032 0.000 0.833 993 D CB -0.479 40.359 40.800 0.064 0.000 0.954 993 D HN 0.340 nan 8.370 nan 0.000 0.455 994 F N 1.594 121.472 119.950 -0.120 0.000 2.102 994 F HA -0.122 4.405 4.527 -0.000 0.000 0.298 994 F C 2.156 177.849 175.800 -0.178 0.000 1.105 994 F CA 1.575 59.504 58.000 -0.118 0.000 1.239 994 F CB -0.531 38.410 39.000 -0.097 0.000 0.991 994 F HN -0.052 nan 8.300 nan 0.000 0.474 995 A N 0.758 123.192 122.820 -0.643 0.000 1.933 995 A HA -0.129 4.191 4.320 -0.000 0.000 0.218 995 A C 2.334 179.672 177.584 -0.410 0.000 1.175 995 A CA 1.881 53.514 52.037 -0.675 0.000 0.628 995 A CB -1.206 17.386 19.000 -0.680 0.000 0.814 995 A HN 0.521 nan 8.150 nan 0.000 0.444 996 L N -1.016 120.043 121.223 -0.273 0.000 2.056 996 L HA -0.131 4.209 4.340 -0.000 0.000 0.207 996 L C 3.060 179.839 176.870 -0.151 0.000 1.078 996 L CA 0.960 55.699 54.840 -0.167 0.000 0.749 996 L CB -0.526 41.476 42.059 -0.095 0.000 0.901 996 L HN 0.418 nan 8.230 nan 0.000 0.433 997 A N -0.635 122.117 122.820 -0.114 0.000 1.930 997 A HA -0.161 4.159 4.320 -0.000 0.000 0.217 997 A C 2.499 180.058 177.584 -0.041 0.000 1.175 997 A CA 1.868 53.916 52.037 0.019 0.000 0.627 997 A CB -0.505 18.600 19.000 0.175 0.000 0.815 997 A HN 0.354 nan 8.150 nan 0.000 0.443 998 S N -0.149 115.382 115.700 -0.281 0.000 2.382 998 S HA -0.162 4.308 4.470 -0.000 0.000 0.228 998 S C 1.740 176.237 174.600 -0.171 0.000 1.027 998 S CA 1.437 59.466 58.200 -0.285 0.000 0.991 998 S CB -0.380 62.478 63.200 -0.569 0.000 0.823 998 S HN 0.688 nan 8.310 nan 0.000 0.469 999 D N 0.795 121.081 120.400 -0.189 0.000 2.178 999 D HA -0.064 4.576 4.640 -0.000 0.000 0.201 999 D C 1.876 178.081 176.300 -0.158 0.000 0.980 999 D CA 1.249 55.162 54.000 -0.145 0.000 0.842 999 D CB -0.151 40.567 40.800 -0.137 0.000 0.948 999 D HN 0.310 nan 8.370 nan 0.000 0.472 1000 T N -1.373 113.038 114.554 -0.238 0.000 2.894 1000 T HA -0.049 4.301 4.350 -0.000 0.000 0.258 1000 T C 1.095 175.554 174.700 -0.402 0.000 1.043 1000 T CA 0.727 62.579 62.100 -0.413 0.000 1.141 1000 T CB -0.170 68.257 68.868 -0.735 0.000 0.873 1000 T HN 0.170 nan 8.240 nan 0.000 0.449 1001 Y N 0.945 121.258 120.300 0.022 0.000 2.458 1001 Y HA 0.442 4.992 4.550 -0.000 0.000 0.254 1001 Y C 1.741 177.658 175.900 0.028 0.000 1.120 1001 Y CA -0.292 57.852 58.100 0.074 0.000 1.282 1001 Y CB -0.279 38.274 38.460 0.154 0.000 1.109 1001 Y HN 0.375 nan 8.280 nan 0.000 0.526 1002 G N 1.546 110.401 108.800 0.091 0.000 2.598 1002 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.244 1002 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.244 1002 G C -2.329 172.601 174.900 0.051 0.000 1.302 1002 G CA -0.440 44.689 45.100 0.049 0.000 0.903 1002 G HN 0.063 nan 8.290 nan 0.000 0.575 1003 P HA 0.260 nan 4.420 nan 0.000 0.226 1003 P C 1.413 178.729 177.300 0.027 0.000 1.783 1003 P CA 0.486 63.616 63.100 0.051 0.000 0.980 1003 P CB -0.151 31.584 31.700 0.057 0.000 1.967 1004 V N -0.053 119.850 119.914 -0.018 0.000 2.867 1004 V HA -0.215 3.905 4.120 -0.000 0.000 0.260 1004 V C 2.216 178.242 176.094 -0.114 0.000 1.099 1004 V CA 1.997 64.224 62.300 -0.121 0.000 1.122 1004 V CB -1.950 29.648 31.823 -0.375 0.000 0.708 1004 V HN 0.347 nan 8.190 nan 0.000 0.490 1005 S N 1.926 117.585 115.700 -0.068 0.000 2.440 1005 S HA -0.165 4.305 4.470 -0.000 0.000 0.238 1005 S C 1.842 176.473 174.600 0.052 0.000 1.010 1005 S CA 1.522 59.685 58.200 -0.060 0.000 0.972 1005 S CB -0.968 62.237 63.200 0.008 0.000 0.774 1005 S HN 1.205 nan 8.310 nan 0.000 0.501 1006 V N -1.029 118.934 119.914 0.081 0.000 3.306 1006 V HA 0.372 4.492 4.120 -0.000 0.000 0.264 1006 V C 0.748 176.959 176.094 0.195 0.000 1.149 1006 V CA -0.056 62.351 62.300 0.179 0.000 1.143 1006 V CB -1.044 30.857 31.823 0.130 0.000 0.767 1006 V HN 0.451 nan 8.190 nan 0.000 0.476 1007 L N 1.744 122.990 121.223 0.039 0.000 2.426 1007 L HA 0.369 4.709 4.340 -0.000 0.000 0.271 1007 L C -2.029 174.594 176.870 -0.411 0.000 1.169 1007 L CA -1.742 53.060 54.840 -0.062 0.000 0.836 1007 L CB 0.220 42.279 42.059 0.000 0.000 1.112 1007 L HN 0.089 nan 8.230 nan 0.000 0.465 1008 P HA 0.005 nan 4.420 nan 0.000 0.268 1008 P C 0.561 177.573 177.300 -0.479 0.000 1.208 1008 P CA -0.016 62.462 63.100 -1.038 0.000 0.777 1008 P CB 0.503 31.929 31.700 -0.458 0.000 0.875 1009 T N 2.810 117.134 114.554 -0.383 0.000 2.720 1009 T HA -0.096 4.254 4.350 -0.000 0.000 0.268 1009 T C -0.916 173.788 174.700 0.007 0.000 1.037 1009 T CA 2.169 64.180 62.100 -0.148 0.000 1.144 1009 T CB -1.699 67.117 68.868 -0.087 0.000 0.864 1009 T HN 0.529 nan 8.240 nan 0.000 0.444 1010 P HA 0.042 nan 4.420 nan 0.000 0.217 1010 P C 1.424 178.845 177.300 0.202 0.000 1.150 1010 P CA 1.064 64.290 63.100 0.210 0.000 0.832 1010 P CB -0.154 31.619 31.700 0.121 0.000 0.787 1011 A N -1.519 121.353 122.820 0.088 0.000 1.929 1011 A HA -0.208 4.112 4.320 -0.000 0.000 0.216 1011 A C 2.236 179.880 177.584 0.099 0.000 1.176 1011 A CA 1.184 53.281 52.037 0.101 0.000 0.628 1011 A CB -1.836 17.211 19.000 0.079 0.000 0.816 1011 A HN 0.136 nan 8.150 nan 0.000 0.444 1012 Y N -0.437 119.812 120.300 -0.086 0.000 2.097 1012 Y HA -0.234 4.316 4.550 -0.000 0.000 0.282 1012 Y C 1.823 177.621 175.900 -0.170 0.000 1.152 1012 Y CA 2.147 60.151 58.100 -0.160 0.000 1.136 1012 Y CB -0.422 37.738 38.460 -0.499 0.000 0.975 1012 Y HN 0.275 nan 8.280 nan 0.000 0.498 1013 F N -2.335 117.437 119.950 -0.296 0.000 2.335 1013 F HA -0.019 4.508 4.527 -0.000 0.000 0.296 1013 F C 1.092 176.398 175.800 -0.823 0.000 1.091 1013 F CA 0.971 58.540 58.000 -0.718 0.000 1.399 1013 F CB -0.486 37.966 39.000 -0.914 0.000 1.067 1013 F HN 0.045 nan 8.300 nan 0.000 0.520 1014 Y N -1.096 119.271 120.300 0.110 0.000 2.471 1014 Y HA 0.493 5.043 4.550 -0.000 0.000 0.249 1014 Y C 1.440 177.351 175.900 0.018 0.000 1.116 1014 Y CA -0.226 57.905 58.100 0.051 0.000 1.240 1014 Y CB -0.101 38.384 38.460 0.041 0.000 1.251 1014 Y HN 0.043 nan 8.280 nan 0.000 0.527 1015 G N 1.283 110.151 108.800 0.114 0.000 2.598 1015 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.244 1015 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.244 1015 G C -0.855 174.124 174.900 0.131 0.000 1.302 1015 G CA -0.460 44.696 45.100 0.093 0.000 0.903 1015 G HN 0.127 nan 8.290 nan 0.000 0.575 1016 L N 0.723 122.025 121.223 0.131 0.000 2.307 1016 L HA 0.681 5.021 4.340 -0.000 0.000 0.284 1016 L C 1.146 178.063 176.870 0.078 0.000 1.023 1016 L CA -0.394 54.520 54.840 0.123 0.000 0.810 1016 L CB 1.557 43.723 42.059 0.178 0.000 1.231 1016 L HN 1.144 nan 8.230 nan 0.000 0.423 1017 A N 2.040 124.896 122.820 0.060 0.000 2.366 1017 A HA 0.085 4.405 4.320 -0.000 0.000 0.250 1017 A C -0.249 177.352 177.584 0.028 0.000 1.099 1017 A CA -0.245 51.812 52.037 0.033 0.000 0.794 1017 A CB 0.136 19.147 19.000 0.018 0.000 1.056 1017 A HN 0.768 nan 8.150 nan 0.000 0.499 1018 D N -0.732 119.675 120.400 0.012 0.000 2.425 1018 D HA 0.411 5.051 4.640 -0.000 0.000 0.247 1018 D C 1.291 177.599 176.300 0.015 0.000 1.147 1018 D CA 1.766 55.769 54.000 0.006 0.000 0.879 1018 D CB 0.267 41.064 40.800 -0.005 0.000 1.179 1018 D HN 1.116 nan 8.370 nan 0.000 0.456 1019 G N 2.962 111.776 108.800 0.023 0.000 2.205 1019 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.261 1019 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.261 1019 G C 0.411 175.342 174.900 0.052 0.000 0.980 1019 G CA 0.363 45.483 45.100 0.034 0.000 0.632 1019 G HN 0.635 nan 8.290 nan 0.000 0.533 1020 E N 0.801 121.036 120.200 0.059 0.000 2.354 1020 E HA 0.488 4.838 4.350 -0.000 0.000 0.269 1020 E C 0.039 176.704 176.600 0.108 0.000 1.036 1020 E CA -0.319 56.124 56.400 0.070 0.000 0.876 1020 E CB 0.469 30.208 29.700 0.065 0.000 1.009 1020 E HN 0.446 nan 8.360 nan 0.000 0.416 1021 E N 4.365 124.629 120.200 0.107 0.000 2.227 1021 E HA 0.477 4.827 4.350 -0.000 0.000 0.268 1021 E C -1.558 175.135 176.600 0.154 0.000 0.907 1021 E CA -0.826 55.666 56.400 0.153 0.000 0.786 1021 E CB 1.374 31.171 29.700 0.162 0.000 1.191 1021 E HN 0.502 nan 8.360 nan 0.000 0.411 1022 L N 3.271 124.630 121.223 0.226 0.000 2.409 1022 L HA 0.606 4.946 4.340 -0.000 0.000 0.262 1022 L C -1.800 175.346 176.870 0.460 0.000 0.992 1022 L CA -0.827 54.155 54.840 0.237 0.000 0.817 1022 L CB 1.369 43.526 42.059 0.164 0.000 1.350 1022 L HN 0.498 nan 8.230 nan 0.000 0.411 1023 F N 2.737 122.729 119.950 0.070 0.000 2.458 1023 F HA 0.809 5.336 4.527 -0.000 0.000 0.336 1023 F C 0.349 176.204 175.800 0.092 0.000 1.114 1023 F CA -0.987 57.058 58.000 0.075 0.000 0.987 1023 F CB 1.916 40.965 39.000 0.081 0.000 1.130 1023 F HN 0.578 nan 8.300 nan 0.000 0.458 1024 A N 2.379 125.327 122.820 0.214 0.000 2.422 1024 A HA 0.647 4.967 4.320 -0.000 0.000 0.302 1024 A C -1.487 176.170 177.584 0.122 0.000 1.041 1024 A CA -0.760 51.383 52.037 0.177 0.000 0.708 1024 A CB 0.969 20.041 19.000 0.119 0.000 1.257 1024 A HN 0.526 nan 8.150 nan 0.000 0.414 1025 D N 2.570 123.053 120.400 0.138 0.000 2.396 1025 D HA 0.339 4.979 4.640 -0.000 0.000 0.225 1025 D C 1.554 177.898 176.300 0.072 0.000 1.121 1025 D CA -0.209 53.843 54.000 0.086 0.000 0.853 1025 D CB 0.850 41.699 40.800 0.082 0.000 1.043 1025 D HN 0.492 nan 8.370 nan 0.000 0.500 1026 I N 0.279 120.878 120.570 0.048 0.000 2.439 1026 I HA 0.007 4.177 4.170 -0.000 0.000 0.251 1026 I C 0.596 176.738 176.117 0.041 0.000 1.139 1026 I CA 0.679 62.005 61.300 0.043 0.000 1.438 1026 I CB -0.191 37.826 38.000 0.028 0.000 1.085 1026 I HN 0.261 nan 8.210 nan 0.000 0.427 1027 E N 1.132 121.352 120.200 0.034 0.000 2.454 1027 E HA 0.326 4.676 4.350 -0.000 0.000 0.279 1027 E C -0.975 175.640 176.600 0.026 0.000 1.029 1027 E CA -1.120 55.299 56.400 0.031 0.000 0.831 1027 E CB 0.896 30.612 29.700 0.026 0.000 1.405 1027 E HN 0.037 nan 8.360 nan 0.000 0.463 1028 K N 0.167 120.581 120.400 0.023 0.000 2.466 1028 K HA 0.085 4.405 4.320 -0.000 0.000 0.278 1028 K C 0.638 177.247 176.600 0.015 0.000 1.048 1028 K CA 1.592 57.890 56.287 0.018 0.000 1.088 1028 K CB -0.417 32.093 32.500 0.015 0.000 0.884 1028 K HN 0.851 nan 8.250 nan 0.000 0.478 1029 G N 3.719 112.528 108.800 0.014 0.000 2.159 1029 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.256 1029 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.256 1029 G C -0.282 174.619 174.900 0.000 0.000 0.977 1029 G CA 0.308 45.413 45.100 0.007 0.000 0.652 1029 G HN 0.635 nan 8.290 nan 0.000 0.531 1030 K N 1.321 121.722 120.400 0.002 0.000 2.679 1030 K HA 0.372 4.692 4.320 -0.000 0.000 0.188 1030 K C -0.580 176.014 176.600 -0.010 0.000 1.055 1030 K CA -0.324 55.960 56.287 -0.006 0.000 1.006 1030 K CB 1.102 33.603 32.500 0.001 0.000 1.317 1030 K HN 0.140 nan 8.250 nan 0.000 0.584 1031 T N 3.107 117.639 114.554 -0.036 0.000 2.744 1031 T HA 0.364 4.714 4.350 -0.000 0.000 0.291 1031 T C 0.205 174.829 174.700 -0.126 0.000 0.957 1031 T CA -0.489 61.574 62.100 -0.063 0.000 1.002 1031 T CB 0.694 69.508 68.868 -0.089 0.000 0.919 1031 T HN 0.220 nan 8.240 nan 0.000 0.468 1032 L N 3.144 124.309 121.223 -0.096 0.000 2.325 1032 L HA 0.639 4.979 4.340 -0.000 0.000 0.279 1032 L C -0.257 176.510 176.870 -0.171 0.000 1.054 1032 L CA -1.163 53.612 54.840 -0.107 0.000 0.804 1032 L CB 1.317 43.348 42.059 -0.046 0.000 1.200 1032 L HN 0.286 nan 8.230 nan 0.000 0.436 1033 V N 4.307 124.113 119.914 -0.180 0.000 2.384 1033 V HA 0.457 4.577 4.120 -0.000 0.000 0.287 1033 V C -0.028 176.073 176.094 0.012 0.000 1.020 1033 V CA -0.260 61.955 62.300 -0.141 0.000 0.850 1033 V CB 1.804 33.501 31.823 -0.211 0.000 0.987 1033 V HN 0.499 nan 8.190 nan 0.000 0.436 1034 I N 5.243 125.873 120.570 0.099 0.000 2.436 1034 I HA 0.564 4.734 4.170 -0.000 0.000 0.289 1034 I C -0.760 175.478 176.117 0.202 0.000 1.010 1034 I CA -0.740 60.628 61.300 0.114 0.000 1.098 1034 I CB 2.186 40.213 38.000 0.045 0.000 1.266 1034 I HN 0.272 nan 8.210 nan 0.000 0.434 1035 V N 4.864 124.926 119.914 0.246 0.000 2.540 1035 V HA 0.333 4.453 4.120 -0.000 0.000 0.302 1035 V C -0.114 176.165 176.094 0.310 0.000 1.035 1035 V CA -0.851 61.593 62.300 0.239 0.000 0.873 1035 V CB 2.013 33.937 31.823 0.169 0.000 0.992 1035 V HN 0.669 nan 8.190 nan 0.000 0.428 1036 N N 3.379 122.208 118.700 0.215 0.000 2.415 1036 N HA 0.115 4.855 4.740 -0.000 0.000 0.250 1036 N C 0.667 176.191 175.510 0.025 0.000 1.127 1036 N CA 0.315 53.395 53.050 0.051 0.000 0.945 1036 N CB 1.236 39.732 38.487 0.016 0.000 1.196 1036 N HN 0.817 nan 8.380 nan 0.000 0.499 1037 Q N 2.991 122.803 119.800 0.021 0.000 2.123 1037 Q HA 0.225 4.565 4.340 -0.000 0.000 0.196 1037 Q C -0.534 175.460 176.000 -0.011 0.000 0.958 1037 Q CA 0.597 56.417 55.803 0.029 0.000 0.841 1037 Q CB 0.219 28.997 28.738 0.067 0.000 0.915 1037 Q HN 0.669 nan 8.270 nan 0.000 0.455 1038 A N -0.682 122.143 122.820 0.008 0.000 2.605 1038 A HA 0.580 4.900 4.320 -0.000 0.000 0.294 1038 A C -1.725 175.934 177.584 0.124 0.000 1.062 1038 A CA -0.630 51.408 52.037 0.001 0.000 0.682 1038 A CB 1.842 20.726 19.000 -0.194 0.000 1.278 1038 A HN 0.015 nan 8.150 nan 0.000 0.410 1039 V N 2.005 121.971 119.914 0.086 0.000 2.531 1039 V HA 0.609 4.729 4.120 -0.000 0.000 0.301 1039 V C 0.648 176.817 176.094 0.125 0.000 1.034 1039 V CA -0.047 62.310 62.300 0.094 0.000 0.865 1039 V CB 1.691 33.520 31.823 0.011 0.000 0.995 1039 V HN 1.338 nan 8.190 nan 0.000 0.424 1040 S N 4.487 120.303 115.700 0.193 0.000 2.624 1040 S HA 0.736 5.206 4.470 -0.000 0.000 0.263 1040 S C 0.427 175.068 174.600 0.069 0.000 1.287 1040 S CA 0.048 58.347 58.200 0.165 0.000 0.990 1040 S CB 1.339 64.673 63.200 0.224 0.000 0.950 1040 S HN 1.418 nan 8.310 nan 0.000 0.561 1041 A N 1.505 124.352 122.820 0.045 0.000 2.425 1041 A HA 0.462 4.782 4.320 -0.000 0.000 0.242 1041 A C 0.783 178.374 177.584 0.012 0.000 1.077 1041 A CA -0.358 51.685 52.037 0.010 0.000 0.781 1041 A CB -0.794 18.203 19.000 -0.004 0.000 1.020 1041 A HN 0.903 nan 8.150 nan 0.000 0.494 1042 T N 2.134 116.682 114.554 -0.010 0.000 2.934 1042 T HA 0.286 4.636 4.350 -0.000 0.000 0.306 1042 T C 0.248 174.945 174.700 -0.005 0.000 1.042 1042 T CA 0.778 62.875 62.100 -0.005 0.000 1.145 1042 T CB -0.005 68.852 68.868 -0.019 0.000 0.982 1042 T HN 0.803 nan 8.240 nan 0.000 0.544 1043 D N 0.694 121.095 120.400 0.002 0.000 2.478 1043 D HA 0.259 4.899 4.640 -0.000 0.000 0.263 1043 D C 1.306 177.605 176.300 -0.002 0.000 1.153 1043 D CA -0.682 53.320 54.000 0.002 0.000 1.038 1043 D CB 0.216 41.020 40.800 0.006 0.000 1.120 1043 D HN 0.343 nan 8.370 nan 0.000 0.564 1044 S N -1.337 114.362 115.700 -0.002 0.000 2.500 1044 S HA -0.208 4.262 4.470 -0.000 0.000 0.239 1044 S C 1.189 175.787 174.600 -0.003 0.000 0.989 1044 S CA 0.747 58.945 58.200 -0.004 0.000 0.951 1044 S CB -0.643 62.555 63.200 -0.004 0.000 0.759 1044 S HN 0.574 nan 8.310 nan 0.000 0.523 1045 Q N 0.418 120.217 119.800 -0.002 0.000 2.319 1045 Q HA 0.332 4.672 4.340 -0.000 0.000 0.202 1045 Q C 1.154 177.156 176.000 0.002 0.000 0.896 1045 Q CA 0.185 55.987 55.803 -0.002 0.000 0.942 1045 Q CB 0.314 29.049 28.738 -0.005 0.000 1.083 1045 Q HN 0.744 nan 8.270 nan 0.000 0.510 1046 G N 1.122 109.925 108.800 0.005 0.000 2.136 1046 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.242 1046 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.242 1046 G C 0.042 174.952 174.900 0.017 0.000 0.989 1046 G CA 0.047 45.155 45.100 0.014 0.000 0.682 1046 G HN 0.125 nan 8.290 nan 0.000 0.522 1047 M N 0.320 119.925 119.600 0.009 0.000 2.404 1047 M HA 0.620 5.100 4.480 -0.000 0.000 0.338 1047 M C 0.169 176.470 176.300 0.002 0.000 1.150 1047 M CA -1.071 54.232 55.300 0.004 0.000 1.016 1047 M CB 1.639 34.234 32.600 -0.007 0.000 1.672 1047 M HN -0.075 nan 8.290 nan 0.000 0.448 1048 V N 2.218 122.133 119.914 0.001 0.000 2.435 1048 V HA 0.418 4.538 4.120 -0.000 0.000 0.290 1048 V C 0.132 176.197 176.094 -0.047 0.000 1.030 1048 V CA -0.533 61.764 62.300 -0.005 0.000 0.881 1048 V CB 1.886 33.717 31.823 0.013 0.000 0.983 1048 V HN 0.877 nan 8.190 nan 0.000 0.445 1049 T N 4.601 119.106 114.554 -0.082 0.000 2.744 1049 T HA 0.445 4.795 4.350 -0.000 0.000 0.291 1049 T C -0.184 174.351 174.700 -0.274 0.000 0.957 1049 T CA -0.243 61.712 62.100 -0.243 0.000 1.002 1049 T CB 1.189 69.809 68.868 -0.413 0.000 0.919 1049 T HN 0.352 nan 8.240 nan 0.000 0.468 1050 V N 4.775 124.507 119.914 -0.304 0.000 2.370 1050 V HA 0.380 4.500 4.120 -0.000 0.000 0.279 1050 V C -0.439 175.370 176.094 -0.474 0.000 1.029 1050 V CA -0.762 61.319 62.300 -0.366 0.000 0.870 1050 V CB 0.427 31.940 31.823 -0.517 0.000 0.984 1050 V HN 0.798 nan 8.190 nan 0.000 0.451 1051 F N 5.408 125.191 119.950 -0.278 0.000 2.335 1051 F HA 0.522 5.049 4.527 -0.000 0.000 0.365 1051 F C 0.085 175.782 175.800 -0.171 0.000 1.122 1051 F CA -0.219 57.703 58.000 -0.130 0.000 1.151 1051 F CB 0.335 39.294 39.000 -0.068 0.000 1.282 1051 F HN 0.306 nan 8.300 nan 0.000 0.513 1052 F N 1.774 121.804 119.950 0.133 0.000 2.403 1052 F HA 0.393 4.920 4.527 -0.000 0.000 0.326 1052 F C 0.469 176.330 175.800 0.103 0.000 1.081 1052 F CA -0.809 57.253 58.000 0.104 0.000 1.041 1052 F CB 0.928 39.968 39.000 0.067 0.000 1.234 1052 F HN 0.264 nan 8.300 nan 0.000 0.503 1053 E N 2.501 122.897 120.200 0.327 0.000 2.158 1053 E HA 0.382 4.732 4.350 -0.000 0.000 0.271 1053 E C -1.424 175.272 176.600 0.161 0.000 0.911 1053 E CA -0.786 55.734 56.400 0.200 0.000 0.767 1053 E CB 2.380 32.166 29.700 0.144 0.000 1.120 1053 E HN 0.364 nan 8.360 nan 0.000 0.405 1054 L N 3.899 125.183 121.223 0.101 0.000 2.343 1054 L HA 0.378 4.718 4.340 -0.000 0.000 0.278 1054 L C -0.353 176.528 176.870 0.019 0.000 0.996 1054 L CA -0.272 54.590 54.840 0.037 0.000 0.831 1054 L CB 0.764 42.822 42.059 -0.001 0.000 1.232 1054 L HN 0.349 nan 8.230 nan 0.000 0.413 1055 N N 4.250 122.948 118.700 -0.005 0.000 2.710 1055 N HA -0.221 4.519 4.740 -0.000 0.000 0.249 1055 N C 0.986 176.497 175.510 0.002 0.000 1.059 1055 N CA 1.478 54.515 53.050 -0.021 0.000 0.720 1055 N CB -1.305 37.163 38.487 -0.031 0.000 0.983 1055 N HN 1.302 nan 8.380 nan 0.000 0.544 1056 G N -2.050 106.765 108.800 0.026 0.000 2.176 1056 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.253 1056 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.253 1056 G C -0.302 174.627 174.900 0.049 0.000 0.979 1056 G CA 0.475 45.597 45.100 0.037 0.000 0.641 1056 G HN 0.461 nan 8.290 nan 0.000 0.530 1057 Q N 0.637 120.469 119.800 0.054 0.000 2.342 1057 Q HA 0.465 4.805 4.340 -0.000 0.000 0.267 1057 Q C -2.718 173.337 176.000 0.092 0.000 1.038 1057 Q CA -2.070 53.771 55.803 0.064 0.000 0.832 1057 Q CB 2.764 31.532 28.738 0.050 0.000 1.323 1057 Q HN 0.279 nan 8.270 nan 0.000 0.448 1058 P HA 0.156 nan 4.420 nan 0.000 0.271 1058 P C -0.506 176.875 177.300 0.135 0.000 1.216 1058 P CA -0.146 63.038 63.100 0.140 0.000 0.771 1058 P CB 0.784 32.569 31.700 0.141 0.000 0.864 1059 R N 3.237 123.840 120.500 0.172 0.000 2.538 1059 R HA 0.376 4.716 4.340 -0.000 0.000 0.292 1059 R C 0.023 176.414 176.300 0.153 0.000 1.008 1059 R CA -0.731 55.456 56.100 0.145 0.000 0.896 1059 R CB 2.224 32.605 30.300 0.135 0.000 1.187 1059 R HN 0.533 nan 8.270 nan 0.000 0.440 1060 R N 2.608 123.132 120.500 0.039 0.000 2.346 1060 R HA 0.558 4.898 4.340 -0.000 0.000 0.311 1060 R C -0.031 176.242 176.300 -0.046 0.000 0.983 1060 R CA -0.562 55.462 56.100 -0.125 0.000 0.880 1060 R CB 1.274 31.419 30.300 -0.259 0.000 1.100 1060 R HN 0.313 nan 8.270 nan 0.000 0.453 1061 I N 2.980 123.533 120.570 -0.029 0.000 2.466 1061 I HA 0.307 4.477 4.170 -0.000 0.000 0.289 1061 I C -0.271 175.827 176.117 -0.031 0.000 1.026 1061 I CA -0.766 60.562 61.300 0.047 0.000 1.078 1061 I CB 1.889 40.035 38.000 0.244 0.000 1.249 1061 I HN 0.481 nan 8.210 nan 0.000 0.429 1062 K N 5.234 125.617 120.400 -0.028 0.000 2.185 1062 K HA 0.712 5.032 4.320 -0.000 0.000 0.269 1062 K C -0.572 176.029 176.600 0.002 0.000 0.987 1062 K CA -0.593 55.673 56.287 -0.036 0.000 0.865 1062 K CB 2.519 34.993 32.500 -0.043 0.000 1.090 1062 K HN 0.489 nan 8.250 nan 0.000 0.450 1063 V N -0.079 119.837 119.914 0.005 0.000 3.040 1063 V HA 0.596 4.716 4.120 -0.000 0.000 0.312 1063 V C -2.826 173.277 176.094 0.015 0.000 1.115 1063 V CA -3.085 59.228 62.300 0.022 0.000 0.998 1063 V CB 1.670 33.514 31.823 0.035 0.000 1.042 1063 V HN 0.539 nan 8.190 nan 0.000 0.433 1064 P HA 0.194 nan 4.420 nan 0.000 0.271 1064 P C -0.685 176.629 177.300 0.024 0.000 1.216 1064 P CA 0.255 63.367 63.100 0.020 0.000 0.776 1064 P CB 0.351 32.062 31.700 0.020 0.000 0.881 1065 D N 2.718 123.142 120.400 0.039 0.000 2.688 1065 D HA 0.026 4.666 4.640 -0.000 0.000 0.228 1065 D C 1.157 177.484 176.300 0.046 0.000 1.116 1065 D CA 0.013 54.053 54.000 0.067 0.000 1.023 1065 D CB -0.258 40.618 40.800 0.127 0.000 1.100 1065 D HN 0.150 nan 8.370 nan 0.000 0.487 1066 R N 1.036 121.541 120.500 0.007 0.000 2.159 1066 R HA -0.132 4.208 4.340 -0.000 0.000 0.237 1066 R C 1.909 178.179 176.300 -0.050 0.000 1.131 1066 R CA 1.156 57.249 56.100 -0.011 0.000 0.982 1066 R CB -0.063 30.228 30.300 -0.015 0.000 0.868 1066 R HN 0.299 nan 8.270 nan 0.000 0.453 1067 A N 0.645 123.398 122.820 -0.112 0.000 1.972 1067 A HA -0.155 4.165 4.320 -0.000 0.000 0.219 1067 A C 0.912 178.274 177.584 -0.370 0.000 1.169 1067 A CA 1.274 53.156 52.037 -0.259 0.000 0.635 1067 A CB -0.357 18.424 19.000 -0.366 0.000 0.810 1067 A HN 0.414 nan 8.150 nan 0.000 0.446 1068 H N -2.025 117.044 119.070 -0.002 0.000 2.488 1068 H HA 0.423 4.979 4.556 -0.000 0.000 0.294 1068 H C 1.173 176.501 175.328 -0.001 0.000 1.088 1068 H CA 0.349 56.396 56.048 -0.002 0.000 1.086 1068 H CB 0.307 30.067 29.762 -0.002 0.000 1.569 1068 H HN 0.557 nan 8.280 nan 0.000 0.548 1069 G N 0.549 109.384 108.800 0.057 0.000 2.141 1069 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.242 1069 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.242 1069 G C 0.806 175.728 174.900 0.037 0.000 0.982 1069 G CA 0.171 45.295 45.100 0.041 0.000 0.662 1069 G HN 0.554 nan 8.290 nan 0.000 0.527 1070 A N 0.458 123.303 122.820 0.041 0.000 2.640 1070 A HA 0.603 4.923 4.320 -0.000 0.000 0.282 1070 A C 1.049 178.646 177.584 0.021 0.000 1.357 1070 A CA 1.031 53.087 52.037 0.032 0.000 0.946 1070 A CB -0.162 18.862 19.000 0.039 0.000 1.065 1070 A HN 0.715 nan 8.150 nan 0.000 0.541 1071 T N 0.735 115.300 114.554 0.017 0.000 2.784 1071 T HA 0.429 4.779 4.350 -0.000 0.000 0.291 1071 T C 1.107 175.814 174.700 0.013 0.000 0.942 1071 T CA 1.127 63.236 62.100 0.014 0.000 1.161 1071 T CB 0.508 69.383 68.868 0.012 0.000 0.885 1071 T HN 1.311 nan 8.240 nan 0.000 0.534 1072 G N 1.514 110.321 108.800 0.012 0.000 2.157 1072 G HA2 0.244 4.204 3.960 -0.000 0.000 0.118 1072 G HA3 0.244 4.204 3.960 -0.000 0.000 0.118 1072 G C -0.138 174.766 174.900 0.007 0.000 1.032 1072 G CA -0.385 44.720 45.100 0.009 0.000 0.697 1072 G HN 1.097 nan 8.290 nan 0.000 0.495 1073 A N -0.577 122.247 122.820 0.007 0.000 2.374 1073 A HA 1.069 5.389 4.320 -0.000 0.000 0.305 1073 A C 0.351 177.936 177.584 0.002 0.000 1.053 1073 A CA 0.027 52.067 52.037 0.005 0.000 0.726 1073 A CB 1.777 20.783 19.000 0.010 0.000 1.229 1073 A HN 2.004 nan 8.150 nan 0.000 0.431 1074 A N 1.764 124.582 122.820 -0.002 0.000 2.449 1074 A HA 0.416 4.736 4.320 -0.000 0.000 0.238 1074 A C 1.205 178.783 177.584 -0.009 0.000 1.009 1074 A CA 0.746 52.779 52.037 -0.006 0.000 1.136 1074 A CB -1.204 nan 19.000 nan 0.000 1.152 1074 A HN 2.088 nan 8.150 nan 0.000 0.469 1075 V N -1.348 118.561 119.914 -0.008 0.000 2.223 1075 V HA -0.148 3.972 4.120 -0.000 0.000 0.253 1075 V C 1.503 177.588 176.094 -0.015 0.000 1.061 1075 V CA 2.419 64.713 62.300 -0.009 0.000 1.035 1075 V CB -1.969 29.850 31.823 -0.008 0.000 0.653 1075 V HN 1.353 nan 8.190 nan 0.000 0.454 1076 R N 1.563 122.053 120.500 -0.017 0.000 2.446 1076 R HA 0.603 4.943 4.340 -0.000 0.000 0.325 1076 R C 0.662 176.945 176.300 -0.028 0.000 0.997 1076 R CA 0.477 56.563 56.100 -0.023 0.000 1.010 1076 R CB -1.669 28.618 30.300 -0.021 0.000 0.946 1076 R HN 1.365 nan 8.270 nan 0.000 0.422 1077 R N 0.963 121.443 120.500 -0.034 0.000 2.537 1077 R HA 0.464 4.804 4.340 -0.000 0.000 0.280 1077 R C 0.610 176.878 176.300 -0.053 0.000 1.058 1077 R CA 0.261 56.335 56.100 -0.043 0.000 1.057 1077 R CB -0.382 29.886 30.300 -0.055 0.000 0.973 1077 R HN 1.470 nan 8.270 nan 0.000 0.438 1078 K N -0.930 119.442 120.400 -0.047 0.000 4.062 1078 K HA 0.007 4.327 4.320 -0.000 0.000 0.792 1078 K C -0.368 176.221 176.600 -0.019 0.000 1.157 1078 K CA 0.163 56.428 56.287 -0.036 0.000 1.329 1078 K CB -2.059 30.427 32.500 -0.023 0.000 2.450 1078 K HN 2.227 nan 8.250 nan 0.000 0.310 1079 A N 1.095 123.920 122.820 0.008 0.000 2.331 1079 A HA 0.706 5.026 4.320 -0.000 0.000 0.283 1079 A C 0.642 178.323 177.584 0.162 0.000 1.142 1079 A CA 0.285 52.401 52.037 0.131 0.000 0.812 1079 A CB 0.562 19.647 19.000 0.142 0.000 1.074 1079 A HN 1.267 nan 8.150 nan 0.000 0.497 1080 E N 3.126 123.517 120.200 0.319 0.000 2.152 1080 E HA 0.447 4.797 4.350 -0.000 0.000 0.285 1080 E C -2.329 174.284 176.600 0.021 0.000 1.043 1080 E CA -1.761 54.675 56.400 0.061 0.000 0.839 1080 E CB -0.084 29.606 29.700 -0.016 0.000 1.069 1080 E HN 0.550 nan 8.360 nan 0.000 0.399 1081 P HA -0.116 nan 4.420 nan 0.000 0.221 1081 P C 1.661 178.974 177.300 0.022 0.000 1.145 1081 P CA 1.407 64.540 63.100 0.056 0.000 0.795 1081 P CB 0.296 31.998 31.700 0.004 0.000 0.775 1082 G N 0.206 108.993 108.800 -0.022 0.000 2.480 1082 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.216 1082 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.216 1082 G C 0.601 175.480 174.900 -0.035 0.000 1.200 1082 G CA 0.541 45.634 45.100 -0.012 0.000 0.782 1082 G HN 0.493 nan 8.290 nan 0.000 0.554 1083 N N -1.317 117.328 118.700 -0.092 0.000 2.476 1083 N HA 0.588 5.328 4.740 -0.000 0.000 0.276 1083 N C 0.619 176.102 175.510 -0.044 0.000 1.204 1083 N CA -0.147 52.833 53.050 -0.118 0.000 0.974 1083 N CB 1.887 40.242 38.487 -0.219 0.000 1.204 1083 N HN 0.049 nan 8.380 nan 0.000 0.543 1084 A N -0.040 122.765 122.820 -0.025 0.000 2.108 1084 A HA 0.559 4.879 4.320 -0.000 0.000 0.206 1084 A C 1.487 179.063 177.584 -0.013 0.000 1.212 1084 A CA 0.799 52.826 52.037 -0.016 0.000 0.843 1084 A CB -0.770 18.185 19.000 -0.076 0.000 0.902 1084 A HN 1.325 nan 8.150 nan 0.000 0.477 1085 A N -1.147 121.760 122.820 0.146 0.000 1.347 1085 A HA -0.251 4.069 4.320 -0.000 0.000 0.220 1085 A C 0.550 178.429 177.584 0.493 0.000 0.455 1085 A CA 1.328 53.540 52.037 0.291 0.000 1.100 1085 A CB -1.924 17.121 19.000 0.074 0.000 1.467 1085 A HN 0.735 nan 8.150 nan 0.000 0.721 1086 H N -1.080 118.107 119.070 0.195 0.000 2.469 1086 H HA 0.548 5.104 4.556 -0.000 0.000 0.342 1086 H C -1.130 174.292 175.328 0.156 0.000 1.115 1086 H CA -0.509 55.622 56.048 0.138 0.000 1.204 1086 H CB 1.803 31.617 29.762 0.087 0.000 1.492 1086 H HN 0.319 nan 8.280 nan 0.000 0.499 1087 V N 3.433 123.453 119.914 0.177 0.000 2.294 1087 V HA 0.294 4.414 4.120 -0.000 0.000 0.272 1087 V C 0.557 176.702 176.094 0.085 0.000 1.027 1087 V CA -0.587 61.787 62.300 0.124 0.000 0.823 1087 V CB 1.007 32.854 31.823 0.039 0.000 1.030 1087 V HN 0.896 nan 8.190 nan 0.000 0.457 1088 G N 3.284 112.160 108.800 0.126 0.000 2.371 1088 G HA2 0.623 4.583 3.960 -0.000 0.000 0.326 1088 G HA3 0.623 4.583 3.960 -0.000 0.000 0.326 1088 G C 0.058 175.038 174.900 0.132 0.000 1.127 1088 G CA -0.390 44.794 45.100 0.140 0.000 0.885 1088 G HN 0.978 nan 8.290 nan 0.000 0.477 1089 A N 3.621 126.512 122.820 0.118 0.000 2.491 1089 A HA 0.480 4.800 4.320 -0.000 0.000 0.261 1089 A C -0.787 176.893 177.584 0.159 0.000 1.101 1089 A CA -0.982 51.120 52.037 0.110 0.000 0.772 1089 A CB 0.578 19.625 19.000 0.079 0.000 1.043 1089 A HN 0.497 nan 8.150 nan 0.000 0.501 1090 P HA -0.021 nan 4.420 nan 0.000 0.229 1090 P C 0.177 177.545 177.300 0.112 0.000 1.160 1090 P CA 1.086 64.218 63.100 0.054 0.000 0.777 1090 P CB -0.071 31.638 31.700 0.015 0.000 0.814 1091 M N -2.148 117.524 119.600 0.121 0.000 2.603 1091 M HA 0.563 5.043 4.480 -0.000 0.000 0.275 1091 M C -3.455 172.898 176.300 0.088 0.000 1.226 1091 M CA -2.321 53.047 55.300 0.113 0.000 0.870 1091 M CB 2.689 35.368 32.600 0.131 0.000 1.716 1091 M HN -0.432 nan 8.290 nan 0.000 0.482 1092 P HA 0.636 nan 4.420 nan 0.000 0.278 1092 P C -0.366 176.969 177.300 0.059 0.000 1.238 1092 P CA 0.440 63.575 63.100 0.058 0.000 0.794 1092 P CB 1.542 33.273 31.700 0.052 0.000 0.955 1093 G N -0.099 108.729 108.800 0.048 0.000 2.335 1093 G HA2 0.494 4.454 3.960 -0.000 0.000 0.291 1093 G HA3 0.494 4.454 3.960 -0.000 0.000 0.291 1093 G C -1.688 173.232 174.900 0.033 0.000 1.261 1093 G CA -0.047 45.080 45.100 0.044 0.000 0.871 1093 G HN 0.554 nan 8.290 nan 0.000 0.491 1094 V N 0.124 120.056 119.914 0.029 0.000 2.555 1094 V HA 0.783 4.903 4.120 -0.000 0.000 0.302 1094 V C 0.335 176.439 176.094 0.017 0.000 1.038 1094 V CA -1.063 61.248 62.300 0.019 0.000 0.887 1094 V CB 1.523 33.354 31.823 0.013 0.000 0.991 1094 V HN 1.385 nan 8.190 nan 0.000 0.434 1095 I N 3.781 124.356 120.570 0.009 0.000 2.556 1095 I HA 0.400 4.570 4.170 -0.000 0.000 0.284 1095 I C 1.164 177.274 176.117 -0.010 0.000 1.114 1095 I CA 0.846 62.148 61.300 0.004 0.000 1.418 1095 I CB 1.664 39.662 38.000 -0.003 0.000 1.394 1095 I HN 0.705 nan 8.210 nan 0.000 0.552 1096 S N 6.107 121.803 115.700 -0.008 0.000 2.483 1096 S HA 0.270 4.740 4.470 -0.000 0.000 0.221 1096 S C 0.750 175.303 174.600 -0.078 0.000 1.030 1096 S CA -0.307 57.879 58.200 -0.023 0.000 0.925 1096 S CB 0.072 63.275 63.200 0.006 0.000 0.795 1096 S HN 0.819 nan 8.310 nan 0.000 0.511 1097 R N 0.248 120.677 120.500 -0.118 0.000 2.566 1097 R HA 0.561 4.901 4.340 -0.000 0.000 0.271 1097 R C -2.323 173.775 176.300 -0.336 0.000 1.071 1097 R CA -0.439 55.472 56.100 -0.315 0.000 0.915 1097 R CB 2.098 32.052 30.300 -0.577 0.000 1.228 1097 R HN 0.122 nan 8.270 nan 0.000 0.449 1098 V N 5.225 124.930 119.914 -0.348 0.000 2.394 1098 V HA 0.373 4.493 4.120 -0.000 0.000 0.282 1098 V C -0.106 175.785 176.094 -0.339 0.000 1.031 1098 V CA -0.173 61.992 62.300 -0.226 0.000 0.881 1098 V CB 1.399 33.153 31.823 -0.116 0.000 0.982 1098 V HN 0.736 nan 8.190 nan 0.000 0.451 1099 F N 3.509 123.438 119.950 -0.034 0.000 2.678 1099 F HA 0.432 4.959 4.527 -0.000 0.000 0.305 1099 F C 0.370 176.154 175.800 -0.027 0.000 1.090 1099 F CA 0.170 58.153 58.000 -0.029 0.000 1.272 1099 F CB 1.010 39.990 39.000 -0.033 0.000 1.060 1099 F HN 0.339 nan 8.300 nan 0.000 0.576 1100 V N -1.331 118.643 119.914 0.100 0.000 3.114 1100 V HA 0.569 4.689 4.120 -0.000 0.000 0.308 1100 V C -0.143 175.954 176.094 0.006 0.000 1.168 1100 V CA -0.192 62.139 62.300 0.052 0.000 1.015 1100 V CB 2.358 34.203 31.823 0.037 0.000 1.050 1100 V HN -0.099 nan 8.190 nan 0.000 0.433 1101 S N 1.780 117.479 115.700 -0.001 0.000 2.760 1101 S HA 0.321 4.791 4.470 -0.000 0.000 0.263 1101 S C 0.085 174.676 174.600 -0.015 0.000 1.007 1101 S CA 0.595 58.785 58.200 -0.016 0.000 1.358 1101 S CB 0.323 63.513 63.200 -0.017 0.000 1.228 1101 S HN 0.813 nan 8.310 nan 0.000 0.684 1102 S N 0.936 116.633 115.700 -0.006 0.000 2.589 1102 S HA 0.525 4.995 4.470 -0.000 0.000 0.210 1102 S C -0.383 174.225 174.600 0.015 0.000 0.803 1102 S CA 0.199 58.399 58.200 0.001 0.000 1.061 1102 S CB 0.450 63.653 63.200 0.005 0.000 1.637 1102 S HN 1.157 nan 8.310 nan 0.000 0.462 1103 G N 0.648 109.458 108.800 0.017 0.000 3.444 1103 G HA2 0.502 4.462 3.960 -0.000 0.000 0.685 1103 G HA3 0.502 4.462 3.960 -0.000 0.000 0.685 1103 G C -0.785 174.148 174.900 0.056 0.000 1.145 1103 G CA 0.209 45.336 45.100 0.044 0.000 0.973 1103 G HN 1.148 nan 8.290 nan 0.000 0.525 1104 Q N -0.160 119.688 119.800 0.081 0.000 2.872 1104 Q HA 0.999 5.339 4.340 -0.000 0.000 0.221 1104 Q C 0.383 176.437 176.000 0.090 0.000 0.998 1104 Q CA 1.239 57.087 55.803 0.074 0.000 1.078 1104 Q CB 0.050 nan 28.738 nan 0.000 1.890 1104 Q HN 3.019 nan 8.270 nan 0.000 0.512 1105 A N -0.690 122.175 122.820 0.076 0.000 4.911 1105 A HA 0.580 4.900 4.320 -0.000 0.000 0.269 1105 A C 1.326 178.947 177.584 0.061 0.000 2.242 1105 A CA 2.965 55.037 52.037 0.058 0.000 0.716 1105 A CB -2.156 16.871 19.000 0.044 0.000 1.083 1105 A HN 3.384 nan 8.150 nan 0.000 0.325 1111 V N 2.800 122.598 119.914 -0.193 0.000 2.508 1111 V HA 0.191 4.311 4.120 -0.000 0.000 0.281 1111 V C 1.452 177.419 176.094 -0.212 0.000 1.041 1111 V CA 0.024 62.078 62.300 -0.410 0.000 1.016 1111 V CB 0.825 32.192 31.823 -0.760 0.000 0.984 1111 V HN 0.498 nan 8.190 nan 0.000 0.478 1112 L N 5.413 126.599 121.223 -0.061 0.000 2.269 1112 L HA 0.253 4.593 4.340 -0.000 0.000 0.200 1112 L C 0.520 177.520 176.870 0.217 0.000 1.069 1112 L CA 0.694 55.577 54.840 0.070 0.000 0.804 1112 L CB 0.335 42.403 42.059 0.015 0.000 0.987 1112 L HN 0.662 nan 8.230 nan 0.000 0.468 1113 V N -3.907 116.119 119.914 0.187 0.000 3.159 1113 V HA 0.741 4.861 4.120 -0.000 0.000 0.308 1113 V C -0.673 175.555 176.094 0.222 0.000 1.190 1113 V CA -0.681 61.753 62.300 0.223 0.000 1.037 1113 V CB 1.793 33.663 31.823 0.078 0.000 1.060 1113 V HN 0.144 nan 8.190 nan 0.000 0.437 1114 S N 1.536 117.370 115.700 0.223 0.000 2.607 1114 S HA 0.884 5.354 4.470 -0.000 0.000 0.303 1114 S C -0.797 173.852 174.600 0.082 0.000 1.086 1114 S CA -0.790 57.503 58.200 0.154 0.000 0.995 1114 S CB 1.710 65.041 63.200 0.220 0.000 1.084 1114 S HN 0.887 nan 8.310 nan 0.000 0.507 1115 I N 1.017 121.630 120.570 0.071 0.000 2.498 1115 I HA 0.596 4.766 4.170 -0.000 0.000 0.290 1115 I C 0.215 176.367 176.117 0.059 0.000 1.032 1115 I CA -0.607 60.728 61.300 0.058 0.000 1.073 1115 I CB 1.863 39.902 38.000 0.064 0.000 1.251 1115 I HN 0.932 nan 8.210 nan 0.000 0.426 1116 E N 4.919 125.148 120.200 0.047 0.000 2.197 1116 E HA 0.849 5.199 4.350 -0.000 0.000 0.281 1116 E C -0.673 175.956 176.600 0.048 0.000 0.995 1116 E CA -0.226 56.202 56.400 0.046 0.000 0.808 1116 E CB 1.871 31.592 29.700 0.035 0.000 1.093 1116 E HN 0.874 nan 8.360 nan 0.000 0.394 1122 T N 1.164 115.761 114.554 0.072 0.000 2.812 1122 T HA 0.637 4.987 4.350 -0.000 0.000 0.282 1122 T C -0.097 174.637 174.700 0.058 0.000 0.990 1122 T CA -0.001 62.141 62.100 0.069 0.000 0.960 1122 T CB 1.533 70.457 68.868 0.092 0.000 0.948 1122 T HN 0.886 nan 8.240 nan 0.000 0.438 1123 A N 1.705 124.533 122.820 0.012 0.000 3.395 1123 A HA -0.053 4.267 4.320 -0.000 0.000 0.256 1123 A C 0.410 177.903 177.584 -0.152 0.000 1.332 1123 A CA 0.029 52.009 52.037 -0.095 0.000 0.769 1123 A CB -2.310 16.700 19.000 0.017 0.000 1.016 1123 A HN 1.782 nan 8.150 nan 0.000 0.503 1124 I N 0.107 120.590 120.570 -0.146 0.000 2.304 1124 I HA 0.787 4.957 4.170 -0.000 0.000 0.291 1124 I C 0.079 176.091 176.117 -0.176 0.000 1.018 1124 I CA -0.491 60.769 61.300 -0.067 0.000 1.260 1124 I CB -0.054 37.972 38.000 0.045 0.000 1.390 1124 I HN 0.459 nan 8.210 nan 0.000 0.475 1125 H N 5.100 124.191 119.070 0.036 0.000 2.472 1125 H HA 0.775 5.331 4.556 -0.000 0.000 0.335 1125 H C 0.746 176.109 175.328 0.059 0.000 1.136 1125 H CA 0.244 56.304 56.048 0.021 0.000 1.264 1125 H CB 1.629 31.392 29.762 0.002 0.000 1.486 1125 H HN 1.075 nan 8.280 nan 0.000 0.517 1126 A N 1.941 124.873 122.820 0.186 0.000 2.492 1126 A HA 0.034 4.354 4.320 -0.000 0.000 0.254 1126 A C 0.895 178.583 177.584 0.173 0.000 1.091 1126 A CA -0.261 51.903 52.037 0.210 0.000 0.768 1126 A CB 0.016 19.141 19.000 0.209 0.000 1.028 1126 A HN 0.978 nan 8.150 nan 0.000 0.498 1127 E N 0.880 121.176 120.200 0.160 0.000 2.442 1127 E HA -0.008 4.342 4.350 -0.000 0.000 0.195 1127 E C 0.231 176.832 176.600 0.002 0.000 1.030 1127 E CA 0.804 57.245 56.400 0.067 0.000 0.869 1127 E CB 0.107 29.838 29.700 0.051 0.000 0.857 1127 E HN 0.803 nan 8.360 nan 0.000 0.505 1128 K N -1.505 118.881 120.400 -0.022 0.000 2.548 1128 K HA 0.440 4.760 4.320 -0.000 0.000 0.282 1128 K C -0.960 175.606 176.600 -0.055 0.000 1.006 1128 K CA -0.577 55.651 56.287 -0.100 0.000 0.892 1128 K CB 0.562 32.916 32.500 -0.243 0.000 1.499 1128 K HN -0.132 nan 8.250 nan 0.000 0.433 1129 D N -0.336 120.031 120.400 -0.056 0.000 2.389 1129 D HA 0.535 5.175 4.640 -0.000 0.000 0.247 1129 D C 0.420 176.711 176.300 -0.015 0.000 1.128 1129 D CA 0.456 54.453 54.000 -0.006 0.000 0.884 1129 D CB 0.950 nan 40.800 nan 0.000 1.194 1129 D HN 0.878 nan 8.370 nan 0.000 0.441 1130 G N -0.454 108.408 108.800 0.103 0.000 2.320 1130 G HA2 0.515 4.475 3.960 -0.000 0.000 0.296 1130 G HA3 0.515 4.475 3.960 -0.000 0.000 0.296 1130 G C -0.784 174.247 174.900 0.218 0.000 1.306 1130 G CA -0.198 45.003 45.100 0.168 0.000 0.836 1130 G HN 0.783 nan 8.290 nan 0.000 0.517 1131 T N 1.095 115.774 114.554 0.208 0.000 2.772 1131 T HA 0.505 4.855 4.350 -0.000 0.000 0.288 1131 T C 0.384 175.159 174.700 0.125 0.000 0.994 1131 T CA -0.150 62.031 62.100 0.134 0.000 0.951 1131 T CB 0.893 69.812 68.868 0.084 0.000 0.933 1131 T HN 0.945 nan 8.240 nan 0.000 0.447 1132 I N 0.685 121.261 120.570 0.010 0.000 2.471 1132 I HA 0.632 4.802 4.170 -0.000 0.000 0.286 1132 I C 0.801 176.890 176.117 -0.046 0.000 1.079 1132 I CA -0.199 61.028 61.300 -0.121 0.000 1.398 1132 I CB 0.724 38.560 38.000 -0.274 0.000 1.403 1132 I HN 0.602 nan 8.210 nan 0.000 0.530 1133 A N 3.202 126.005 122.820 -0.029 0.000 2.465 1133 A HA 0.724 5.044 4.320 -0.000 0.000 0.255 1133 A C 0.648 178.222 177.584 -0.017 0.000 1.274 1133 A CA 0.618 52.653 52.037 -0.003 0.000 0.920 1133 A CB -0.645 18.372 19.000 0.029 0.000 1.033 1133 A HN 1.091 nan 8.150 nan 0.000 0.516 1134 E N -1.302 118.871 120.200 -0.045 0.000 2.472 1134 E HA 0.503 4.853 4.350 -0.000 0.000 0.290 1134 E C -1.612 174.946 176.600 -0.069 0.000 1.059 1134 E CA -0.132 56.240 56.400 -0.047 0.000 0.861 1134 E CB 0.586 30.263 29.700 -0.039 0.000 1.213 1134 E HN 0.729 nan 8.360 nan 0.000 0.425 1135 V N 2.736 122.616 119.914 -0.057 0.000 2.398 1135 V HA 0.340 4.460 4.120 -0.000 0.000 0.282 1135 V C 0.476 176.540 176.094 -0.050 0.000 1.014 1135 V CA -0.574 61.691 62.300 -0.059 0.000 0.838 1135 V CB 0.881 32.675 31.823 -0.049 0.000 1.018 1135 V HN 0.828 nan 8.190 nan 0.000 0.432 1136 L N 4.498 125.687 121.223 -0.056 0.000 2.610 1136 L HA 0.133 4.473 4.340 -0.000 0.000 0.232 1136 L C 0.719 177.566 176.870 -0.039 0.000 1.149 1136 L CA 1.095 55.906 54.840 -0.049 0.000 0.872 1136 L CB 0.054 42.077 42.059 -0.061 0.000 0.992 1136 L HN 0.718 nan 8.230 nan 0.000 0.447 1137 V N -6.005 113.887 119.914 -0.037 0.000 3.040 1137 V HA 0.992 5.112 4.120 -0.000 0.000 0.312 1137 V C -0.012 176.060 176.094 -0.037 0.000 1.115 1137 V CA 0.027 62.308 62.300 -0.032 0.000 0.998 1137 V CB 1.498 33.306 31.823 -0.025 0.000 1.042 1137 V HN -0.086 nan 8.190 nan 0.000 0.433 1138 K N 0.542 120.918 120.400 -0.040 0.000 1.503 1138 K HA 0.658 4.978 4.320 -0.000 0.000 0.103 1138 K C 0.431 177.008 176.600 -0.039 0.000 2.473 1138 K CA 0.887 57.153 56.287 -0.035 0.000 1.092 1138 K CB -1.210 31.273 32.500 -0.028 0.000 2.753 1138 K HN 2.592 nan 8.250 nan 0.000 0.353 1139 A N 0.303 123.096 122.820 -0.046 0.000 2.365 1139 A HA 0.721 5.041 4.320 -0.000 0.000 0.318 1139 A C 0.695 178.255 177.584 -0.040 0.000 1.091 1139 A CA 0.010 52.025 52.037 -0.038 0.000 0.763 1139 A CB 1.846 20.830 19.000 -0.027 0.000 1.248 1139 A HN 1.434 nan 8.150 nan 0.000 0.442 1140 G N 1.373 110.155 108.800 -0.030 0.000 4.294 1140 G HA2 0.429 4.389 3.960 -0.000 0.000 0.301 1140 G HA3 0.429 4.389 3.960 -0.000 0.000 0.301 1140 G C -0.788 174.104 174.900 -0.013 0.000 1.321 1140 G CA -0.226 44.861 45.100 -0.021 0.000 1.190 1140 G HN 0.609 nan 8.290 nan 0.000 0.600 1141 D N 0.951 121.344 120.400 -0.013 0.000 2.256 1141 D HA 0.505 5.145 4.640 -0.000 0.000 0.250 1141 D C 0.772 177.072 176.300 -0.000 0.000 1.093 1141 D CA 0.140 54.135 54.000 -0.008 0.000 0.882 1141 D CB 1.332 42.125 40.800 -0.011 0.000 1.185 1141 D HN 0.422 nan 8.370 nan 0.000 0.437 1142 Q N 1.876 121.678 119.800 0.003 0.000 2.314 1142 Q HA 0.583 4.923 4.340 -0.000 0.000 0.258 1142 Q C 0.194 176.199 176.000 0.009 0.000 0.954 1142 Q CA -0.227 55.581 55.803 0.009 0.000 0.890 1142 Q CB 0.359 29.104 28.738 0.011 0.000 1.210 1142 Q HN 0.613 nan 8.270 nan 0.000 0.410 1143 I N -2.055 118.524 120.570 0.015 0.000 3.074 1143 I HA 0.830 5.000 4.170 -0.000 0.000 0.310 1143 I C -1.561 174.569 176.117 0.021 0.000 1.153 1143 I CA -1.372 59.936 61.300 0.014 0.000 0.993 1143 I CB 2.761 40.770 38.000 0.016 0.000 1.237 1143 I HN 0.554 nan 8.210 nan 0.000 0.443 1144 D N 1.557 121.967 120.400 0.016 0.000 2.350 1144 D HA 0.642 5.282 4.640 -0.000 0.000 0.238 1144 D C -0.144 176.170 176.300 0.024 0.000 0.989 1144 D CA -0.369 53.642 54.000 0.018 0.000 0.921 1144 D CB 1.898 42.700 40.800 0.003 0.000 1.297 1144 D HN 0.887 nan 8.370 nan 0.000 0.490 1145 A N 1.217 124.059 122.820 0.036 0.000 2.587 1145 A HA 0.121 4.441 4.320 -0.000 0.000 0.235 1145 A C 0.840 178.420 177.584 -0.006 0.000 1.044 1145 A CA 0.592 52.668 52.037 0.064 0.000 0.754 1145 A CB -0.137 18.914 19.000 0.085 0.000 0.968 1145 A HN 0.753 nan 8.150 nan 0.000 0.509 1146 K N -0.354 120.072 120.400 0.043 0.000 3.615 1146 K HA -0.136 4.184 4.320 -0.000 0.000 0.264 1146 K C -0.418 176.170 176.600 -0.020 0.000 1.090 1146 K CA 1.331 57.579 56.287 -0.065 0.000 1.058 1146 K CB -1.251 31.058 32.500 -0.317 0.000 1.304 1146 K HN 0.897 nan 8.250 nan 0.000 0.513 1147 D N 1.314 121.710 120.400 -0.006 0.000 2.488 1147 D HA 0.031 4.671 4.640 -0.000 0.000 0.238 1147 D C -0.034 176.262 176.300 -0.007 0.000 1.138 1147 D CA 0.128 54.121 54.000 -0.012 0.000 0.873 1147 D CB 0.511 41.307 40.800 -0.007 0.000 1.183 1147 D HN 0.041 nan 8.370 nan 0.000 0.458 1148 L N 3.437 124.634 121.223 -0.043 0.000 2.369 1148 L HA 0.080 4.420 4.340 -0.000 0.000 0.279 1148 L C 0.643 177.471 176.870 -0.068 0.000 1.108 1148 L CA 0.286 55.076 54.840 -0.084 0.000 0.852 1148 L CB 0.321 42.271 42.059 -0.181 0.000 1.169 1148 L HN 0.432 nan 8.230 nan 0.000 0.452 1149 L N 4.835 126.029 121.223 -0.048 0.000 2.253 1149 L HA 0.468 4.808 4.340 -0.000 0.000 0.205 1149 L C 0.700 177.531 176.870 -0.064 0.000 1.078 1149 L CA 0.554 55.372 54.840 -0.038 0.000 0.805 1149 L CB -0.258 41.796 42.059 -0.008 0.000 0.963 1149 L HN 0.773 nan 8.230 nan 0.000 0.459 1150 A N -0.760 122.006 122.820 -0.090 0.000 2.605 1150 A HA 0.651 4.971 4.320 -0.000 0.000 0.294 1150 A C -1.551 175.949 177.584 -0.141 0.000 1.062 1150 A CA -0.413 51.550 52.037 -0.125 0.000 0.682 1150 A CB 1.484 20.391 19.000 -0.155 0.000 1.278 1150 A HN -0.221 nan 8.150 nan 0.000 0.410 1151 V N 1.846 121.679 119.914 -0.136 0.000 2.588 1151 V HA 0.454 4.574 4.120 -0.000 0.000 0.304 1151 V C -0.623 175.429 176.094 -0.071 0.000 1.042 1151 V CA -0.504 61.770 62.300 -0.042 0.000 0.877 1151 V CB 1.197 33.021 31.823 0.002 0.000 0.996 1151 V HN 0.843 nan 8.190 nan 0.000 0.425 1152 Y N 0.000 120.342 120.300 0.070 0.000 2.660 1152 Y HA 0.000 4.550 4.550 -0.000 0.000 0.201 1152 Y CA 0.000 58.132 58.100 0.053 0.000 1.940 1152 Y CB 0.000 38.490 38.460 0.050 0.000 1.050 1152 Y HN 0.000 nan 8.280 nan 0.000 0.758