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 1s5g_1_A DATA FIRST_RESID 3 DATA SEQUENCE IDFSDPDFQY LAVDRKKLMK XXXXXFDGKK NCWVPDEKEG FASAEIQSSK DATA SEQUENCE GDEITVKIVA DSSTRTVKKD DIQSMNPPKF EKLEDMANMT YLNEASVLYN DATA SEQUENCE LRSRYTSGLI YTYSGLFCIA VNPYRRLPIY TDSVIAKYRG KRKTEIPPHL DATA SEQUENCE FSVADNAYQN MVTDRENQSC LITGESGAGK TENTKKVIMY LAKVACAVXX DATA SEQUENCE XXXXXXXXXE GSLEDQIIQA NPVLEAYGNA KTTRNNNSSR FGKFIRIHFG DATA SEQUENCE PTGKIAGADI ETYLLEKSRV TYQQSAERNY HIFYQICSNA IPELNDVMLV DATA SEQUENCE TPDSGLYSFI NQGCLTVDNI DDVEEFKLCD EAFDILGFTK EEKQSMFKCT DATA SEQUENCE ASILHMGEMK FKQRPREEQA ESDGTAEAEK VAFLCGINAG DLLKALLKPK DATA SEQUENCE VKVGTEMVTK GQNMNQVVNS VGALAKSLYD RMFNWLVRRV NKTLDTKAKR DATA SEQUENCE NYYIGVLDIA GFEIFDFNSF EQLCINYTNE RLQQFFNHHM FILEQEEYKK DATA SEQUENCE EGIAWEFIDF GMDLQMCIDL IEKPMGILSI LEEECMFPKA DDKSFQDKLY DATA SEQUENCE QNHMGKNRMF TKPGKPTRPN QGPAHFELHH YAGNVPYSIT GWLEKNKDPI DATA SEQUENCE NENVVALLGA SKEPLVAELF KAPEXXXXXX XXXXXXXXXX QTISAVHRES DATA SEQUENCE LNKLMKNLYS THPHFVRCII PNELKQPGLV DAELVLHQLQ CNGVLEGIRI DATA SEQUENCE CRKGFPSRLI YSEFKQRYSI LAPNAIPQGF VDGKTVSEKI LAGLQMDPAE DATA SEQUENCE YRLGTTKVFF KAGVLGNLEE MRDERLSKII SMFQAHIRGY LIRKAYKKLQ DATA SEQUENCE DQRIGLSVIQ RNIRKWLVLR NWQWWKLYSK VKPL 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 3 I HA 0.000 nan 4.170 nan 0.000 0.288 3 I C 0.000 176.209 176.117 0.154 0.000 1.063 3 I CA 0.000 61.339 61.300 0.065 0.000 1.566 3 I CB 0.000 38.023 38.000 0.039 0.000 1.214 4 D N 0.219 120.724 120.400 0.175 0.000 2.717 4 D HA 0.600 5.247 4.640 0.012 0.000 0.223 4 D C -0.562 175.984 176.300 0.410 0.000 1.240 4 D CA -0.655 53.556 54.000 0.352 0.000 0.801 4 D CB 1.766 42.584 40.800 0.031 0.000 1.556 4 D HN 0.572 nan 8.370 nan 0.000 0.462 5 F N -1.089 118.975 119.950 0.190 0.000 1.904 5 F HA 0.415 4.949 4.527 0.012 0.000 0.223 5 F C 1.253 177.126 175.800 0.122 0.000 1.258 5 F CA 0.149 58.217 58.000 0.114 0.000 1.285 5 F CB 0.488 39.535 39.000 0.079 0.000 1.935 5 F HN 0.373 nan 8.300 nan 0.000 0.174 6 S N -0.395 114.577 115.700 -1.213 0.000 2.666 6 S HA 0.167 4.644 4.470 0.012 0.000 0.239 6 S C -0.092 174.031 174.600 -0.794 0.000 1.031 6 S CA -0.316 57.400 58.200 -0.806 0.000 1.015 6 S CB -0.597 62.247 63.200 -0.594 0.000 0.981 6 S HN 0.407 nan 8.310 nan 0.000 0.547 7 D N 3.343 123.091 120.400 -1.087 0.000 2.752 7 D HA 0.026 4.673 4.640 0.012 0.000 0.225 7 D C -1.417 174.734 176.300 -0.247 0.000 1.104 7 D CA -0.687 53.026 54.000 -0.477 0.000 0.832 7 D CB 1.227 41.872 40.800 -0.258 0.000 1.161 7 D HN 0.133 nan 8.370 nan 0.000 0.505 8 P HA -0.160 nan 4.420 nan 0.000 0.216 8 P C 0.807 178.080 177.300 -0.046 0.000 1.154 8 P CA 1.037 64.089 63.100 -0.080 0.000 0.865 8 P CB 0.220 31.887 31.700 -0.054 0.000 0.789 9 D N -1.549 118.779 120.400 -0.120 0.000 2.190 9 D HA -0.145 4.502 4.640 0.012 0.000 0.200 9 D C 0.967 177.296 176.300 0.047 0.000 0.992 9 D CA 1.043 54.990 54.000 -0.088 0.000 0.854 9 D CB -0.537 40.147 40.800 -0.195 0.000 0.936 9 D HN 0.218 nan 8.370 nan 0.000 0.462 10 F N 1.143 121.125 119.950 0.053 0.000 2.696 10 F HA 0.133 4.669 4.527 0.014 0.000 0.296 10 F C 2.082 177.891 175.800 0.016 0.000 1.181 10 F CA -0.410 57.621 58.000 0.052 0.000 1.411 10 F CB -0.707 38.306 39.000 0.022 0.000 1.014 10 F HN -0.063 nan 8.300 nan 0.000 0.512 11 Q N -0.493 119.426 119.800 0.199 0.000 2.046 11 Q HA -0.185 4.162 4.340 0.012 0.000 0.200 11 Q C 0.661 176.655 176.000 -0.010 0.000 0.975 11 Q CA 1.593 57.454 55.803 0.097 0.000 0.836 11 Q CB -0.038 28.804 28.738 0.174 0.000 0.896 11 Q HN 0.419 nan 8.270 nan 0.000 0.428 12 Y N -0.111 120.185 120.300 -0.007 0.000 2.683 12 Y HA 0.219 4.780 4.550 0.018 0.000 0.297 12 Y C 0.913 176.778 175.900 -0.058 0.000 1.147 12 Y CA 0.004 58.066 58.100 -0.064 0.000 1.274 12 Y CB 0.473 38.862 38.460 -0.118 0.000 1.143 12 Y HN 0.116 nan 8.280 nan 0.000 0.527 13 L N -1.819 119.466 121.223 0.104 0.000 2.638 13 L HA 0.480 4.827 4.340 0.012 0.000 0.195 13 L C 1.103 177.967 176.870 -0.010 0.000 1.065 13 L CA 0.104 54.994 54.840 0.084 0.000 0.859 13 L CB -0.131 42.075 42.059 0.244 0.000 1.269 13 L HN 0.088 nan 8.230 nan 0.000 0.484 14 A N -0.030 122.772 122.820 -0.029 0.000 2.282 14 A HA 0.749 5.077 4.320 0.012 0.000 0.324 14 A C -0.729 176.812 177.584 -0.072 0.000 1.119 14 A CA -0.339 51.647 52.037 -0.085 0.000 0.880 14 A CB 1.814 20.725 19.000 -0.148 0.000 1.294 14 A HN -0.089 nan 8.150 nan 0.000 0.493 15 V N -0.576 119.294 119.914 -0.074 0.000 3.181 15 V HA 0.282 4.409 4.120 0.012 0.000 0.308 15 V C -1.171 174.887 176.094 -0.060 0.000 1.214 15 V CA -0.722 61.531 62.300 -0.079 0.000 1.053 15 V CB 2.207 33.979 31.823 -0.085 0.000 1.069 15 V HN 0.898 nan 8.190 nan 0.000 0.441 16 D N 2.012 122.378 120.400 -0.057 0.000 2.359 16 D HA 0.304 4.951 4.640 0.012 0.000 0.273 16 D C 1.274 177.553 176.300 -0.035 0.000 1.362 16 D CA 0.678 54.653 54.000 -0.042 0.000 1.010 16 D CB 0.950 41.726 40.800 -0.041 0.000 1.090 16 D HN 0.627 nan 8.370 nan 0.000 0.521 17 R N 2.857 123.339 120.500 -0.030 0.000 2.241 17 R HA -0.108 4.239 4.340 0.012 0.000 0.224 17 R C 1.996 178.280 176.300 -0.028 0.000 1.101 17 R CA 2.007 58.089 56.100 -0.030 0.000 0.995 17 R CB -1.157 29.128 30.300 -0.027 0.000 0.870 17 R HN 0.487 nan 8.270 nan 0.000 0.463 18 K N -0.189 120.197 120.400 -0.022 0.000 2.242 18 K HA 0.210 4.538 4.320 0.012 0.000 0.200 18 K C 2.591 179.178 176.600 -0.021 0.000 1.050 18 K CA 1.417 57.692 56.287 -0.019 0.000 0.981 18 K CB -0.673 31.820 32.500 -0.012 0.000 0.795 18 K HN 0.674 nan 8.250 nan 0.000 0.477 19 K N 0.224 120.610 120.400 -0.023 0.000 2.228 19 K HA 0.460 4.787 4.320 0.012 0.000 0.202 19 K C 2.502 179.089 176.600 -0.022 0.000 1.051 19 K CA 1.322 57.595 56.287 -0.023 0.000 0.960 19 K CB -1.245 31.238 32.500 -0.029 0.000 0.743 19 K HN 0.777 nan 8.250 nan 0.000 0.458 20 L N -0.723 120.485 121.223 -0.025 0.000 2.552 20 L HA 0.526 4.873 4.340 0.012 0.000 0.227 20 L C 2.968 179.823 176.870 -0.024 0.000 1.146 20 L CA 2.061 56.889 54.840 -0.021 0.000 0.858 20 L CB -1.735 40.310 42.059 -0.024 0.000 0.969 20 L HN 0.687 nan 8.230 nan 0.000 0.451 21 M N -0.783 118.801 119.600 -0.027 0.000 2.514 21 M HA 0.520 5.007 4.480 0.012 0.000 0.258 21 M C 1.779 178.065 176.300 -0.023 0.000 1.119 21 M CA 1.347 56.628 55.300 -0.031 0.000 1.111 21 M CB -1.597 30.984 32.600 -0.031 0.000 1.390 21 M HN 0.792 nan 8.290 nan 0.000 0.475 29 D N 2.946 123.004 120.400 -0.569 0.000 2.392 29 D HA 0.494 5.141 4.640 0.012 0.000 0.228 29 D C 1.023 176.943 176.300 -0.632 0.000 1.074 29 D CA -0.160 53.579 54.000 -0.436 0.000 0.838 29 D CB 1.487 42.136 40.800 -0.251 0.000 1.067 29 D HN 1.057 nan 8.370 nan 0.000 0.511 30 G N 0.621 109.164 108.800 -0.429 0.000 2.469 30 G HA2 -0.258 3.709 3.960 0.012 0.000 0.220 30 G HA3 -0.258 3.709 3.960 0.012 0.000 0.220 30 G C 1.527 176.295 174.900 -0.220 0.000 1.136 30 G CA 1.029 45.961 45.100 -0.281 0.000 0.759 30 G HN 0.586 nan 8.290 nan 0.000 0.562 31 K N 0.367 120.663 120.400 -0.174 0.000 2.148 31 K HA 0.058 4.385 4.320 0.012 0.000 0.204 31 K C 2.779 179.282 176.600 -0.161 0.000 1.050 31 K CA 1.502 57.710 56.287 -0.132 0.000 0.942 31 K CB -0.086 32.358 32.500 -0.094 0.000 0.724 31 K HN 0.412 nan 8.250 nan 0.000 0.446 32 K N 1.208 121.480 120.400 -0.213 0.000 2.335 32 K HA 0.101 4.428 4.320 0.012 0.000 0.195 32 K C 0.440 176.889 176.600 -0.252 0.000 1.058 32 K CA 0.328 56.496 56.287 -0.199 0.000 0.988 32 K CB -0.421 31.977 32.500 -0.170 0.000 0.880 32 K HN 0.258 nan 8.250 nan 0.000 0.513 33 N N 0.251 118.723 118.700 -0.381 0.000 2.499 33 N HA 0.497 5.244 4.740 0.012 0.000 0.281 33 N C -0.314 174.975 175.510 -0.368 0.000 1.098 33 N CA -0.057 52.745 53.050 -0.414 0.000 0.979 33 N CB 1.222 39.309 38.487 -0.666 0.000 1.121 33 N HN 0.703 nan 8.380 nan 0.000 0.466 34 C N -0.164 118.900 119.300 -0.394 0.000 3.216 34 C HA 0.482 4.949 4.460 0.012 0.000 0.346 34 C C -1.921 172.765 174.990 -0.507 0.000 1.384 34 C CA -1.459 57.312 59.018 -0.413 0.000 1.208 34 C CB -0.108 27.491 27.740 -0.235 0.000 1.483 34 C HN 0.816 nan 8.230 nan 0.000 0.453 35 W N 0.780 121.993 121.300 -0.144 0.000 2.496 35 W HA 0.703 5.370 4.660 0.012 0.000 0.327 35 W C -0.302 176.202 176.519 -0.025 0.000 1.086 35 W CA -0.541 56.727 57.345 -0.129 0.000 1.222 35 W CB 1.802 31.047 29.460 -0.359 0.000 1.304 35 W HN 0.648 nan 8.180 nan 0.000 0.547 36 V N 3.582 123.746 119.914 0.417 0.000 2.823 36 V HA 0.428 4.555 4.120 0.012 0.000 0.312 36 V C -2.343 174.037 176.094 0.477 0.000 1.072 36 V CA -2.637 59.868 62.300 0.342 0.000 0.937 36 V CB 2.292 34.225 31.823 0.185 0.000 1.013 36 V HN 0.273 nan 8.190 nan 0.000 0.430 37 P HA 0.289 nan 4.420 nan 0.000 0.276 37 P C -1.355 175.970 177.300 0.042 0.000 1.243 37 P CA 0.050 63.211 63.100 0.101 0.000 0.768 37 P CB 0.500 32.215 31.700 0.024 0.000 0.856 38 D N 1.578 121.967 120.400 -0.019 0.000 2.498 38 D HA 0.051 4.699 4.640 0.012 0.000 0.247 38 D C 1.077 177.344 176.300 -0.054 0.000 1.070 38 D CA -0.630 53.372 54.000 0.002 0.000 0.842 38 D CB 1.366 42.199 40.800 0.055 0.000 1.361 38 D HN 0.392 nan 8.370 nan 0.000 0.484 39 E N 3.074 123.251 120.200 -0.038 0.000 2.153 39 E HA -0.216 4.141 4.350 0.012 0.000 0.194 39 E C 1.031 177.602 176.600 -0.049 0.000 0.988 39 E CA 0.931 57.300 56.400 -0.052 0.000 0.811 39 E CB 0.175 29.855 29.700 -0.034 0.000 0.746 39 E HN 0.363 nan 8.360 nan 0.000 0.466 40 K N -0.009 120.375 120.400 -0.028 0.000 2.308 40 K HA 0.010 4.337 4.320 0.012 0.000 0.197 40 K C 0.994 177.583 176.600 -0.019 0.000 1.049 40 K CA 0.416 56.690 56.287 -0.022 0.000 0.991 40 K CB 0.599 33.096 32.500 -0.004 0.000 0.836 40 K HN -0.066 nan 8.250 nan 0.000 0.500 41 E N -0.219 119.976 120.200 -0.010 0.000 2.624 41 E HA 0.146 4.503 4.350 0.012 0.000 0.210 41 E C 0.709 177.290 176.600 -0.032 0.000 0.997 41 E CA 0.362 56.766 56.400 0.007 0.000 0.999 41 E CB 1.089 30.830 29.700 0.068 0.000 1.040 41 E HN 0.491 nan 8.360 nan 0.000 0.469 42 G N 1.280 110.006 108.800 -0.124 0.000 5.306 42 G HA2 -0.352 3.615 3.960 0.012 0.000 0.318 42 G HA3 -0.352 3.615 3.960 0.012 0.000 0.318 42 G C 0.272 174.900 174.900 -0.453 0.000 1.413 42 G CA 0.603 45.520 45.100 -0.305 0.000 0.981 42 G HN 0.287 nan 8.290 nan 0.000 0.788 43 F N 0.994 120.937 119.950 -0.012 0.000 2.712 43 F HA 0.812 5.346 4.527 0.011 0.000 0.367 43 F C 0.655 176.567 175.800 0.187 0.000 1.132 43 F CA -0.167 57.872 58.000 0.064 0.000 1.066 43 F CB 2.101 41.088 39.000 -0.022 0.000 1.416 43 F HN 0.871 nan 8.300 nan 0.000 0.515 44 A N 0.267 123.466 122.820 0.632 0.000 2.594 44 A HA 0.553 4.880 4.320 0.012 0.000 0.295 44 A C -1.219 176.644 177.584 0.466 0.000 1.071 44 A CA -0.635 51.703 52.037 0.502 0.000 0.685 44 A CB 1.312 20.469 19.000 0.263 0.000 1.285 44 A HN 0.537 nan 8.150 nan 0.000 0.405 45 S N 0.043 115.867 115.700 0.205 0.000 2.548 45 S HA 0.675 5.152 4.470 0.012 0.000 0.277 45 S C 0.052 174.583 174.600 -0.115 0.000 1.315 45 S CA 0.455 58.511 58.200 -0.240 0.000 1.050 45 S CB 0.435 63.498 63.200 -0.229 0.000 0.918 45 S HN 2.210 nan 8.310 nan 0.000 0.497 46 A N 4.183 126.888 122.820 -0.192 0.000 2.574 46 A HA 0.637 4.964 4.320 0.012 0.000 0.297 46 A C -1.354 176.143 177.584 -0.145 0.000 1.062 46 A CA -0.825 51.146 52.037 -0.111 0.000 0.686 46 A CB 1.273 20.242 19.000 -0.052 0.000 1.285 46 A HN 0.779 nan 8.150 nan 0.000 0.403 47 E N 1.667 121.804 120.200 -0.106 0.000 2.129 47 E HA 0.415 4.772 4.350 0.012 0.000 0.268 47 E C -0.722 175.825 176.600 -0.088 0.000 0.900 47 E CA -0.437 55.894 56.400 -0.115 0.000 0.755 47 E CB 1.674 31.316 29.700 -0.095 0.000 1.117 47 E HN 0.594 nan 8.360 nan 0.000 0.410 48 I N 3.053 123.564 120.570 -0.098 0.000 2.775 48 I HA -0.170 4.007 4.170 0.012 0.000 0.290 48 I C 1.477 177.559 176.117 -0.058 0.000 1.203 48 I CA 0.802 62.059 61.300 -0.073 0.000 1.433 48 I CB 0.651 38.603 38.000 -0.080 0.000 1.354 48 I HN 0.740 nan 8.210 nan 0.000 0.579 49 Q N 5.378 125.153 119.800 -0.042 0.000 2.339 49 Q HA 0.169 4.516 4.340 0.012 0.000 0.193 49 Q C 0.940 176.922 176.000 -0.030 0.000 0.998 49 Q CA 0.752 56.535 55.803 -0.034 0.000 0.847 49 Q CB -0.149 28.574 28.738 -0.025 0.000 0.988 49 Q HN 0.826 nan 8.270 nan 0.000 0.558 50 S N -1.310 114.376 115.700 -0.024 0.000 2.837 50 S HA 0.755 5.233 4.470 0.012 0.000 0.314 50 S C -0.082 174.506 174.600 -0.019 0.000 1.098 50 S CA 0.069 58.257 58.200 -0.021 0.000 0.903 50 S CB 1.570 64.761 63.200 -0.015 0.000 1.310 50 S HN 1.442 nan 8.310 nan 0.000 0.581 51 S N -0.607 115.084 115.700 -0.015 0.000 2.537 51 S HA 0.615 5.093 4.470 0.012 0.000 0.270 51 S C -1.540 173.055 174.600 -0.008 0.000 1.142 51 S CA -0.763 57.430 58.200 -0.012 0.000 0.870 51 S CB 1.543 64.734 63.200 -0.015 0.000 1.112 51 S HN 0.781 nan 8.310 nan 0.000 0.466 52 K N 2.047 122.444 120.400 -0.005 0.000 3.394 52 K HA 0.425 4.752 4.320 0.012 0.000 0.175 52 K C 0.645 177.245 176.600 -0.001 0.000 1.047 52 K CA 0.235 56.520 56.287 -0.003 0.000 0.814 52 K CB 0.309 32.807 32.500 -0.002 0.000 0.803 52 K HN 1.231 nan 8.250 nan 0.000 0.522 53 G N 1.132 109.931 108.800 -0.001 0.000 4.492 53 G HA2 -0.253 3.715 3.960 0.012 0.000 0.265 53 G HA3 -0.253 3.715 3.960 0.012 0.000 0.265 53 G C 0.348 175.249 174.900 0.002 0.000 1.702 53 G CA 0.229 45.330 45.100 0.001 0.000 1.266 53 G HN 0.423 nan 8.290 nan 0.000 0.643 54 D N 1.160 121.562 120.400 0.004 0.000 2.474 54 D HA 0.158 4.805 4.640 0.012 0.000 0.213 54 D C 0.543 176.846 176.300 0.005 0.000 1.120 54 D CA 0.146 54.149 54.000 0.006 0.000 0.836 54 D CB 0.908 41.713 40.800 0.009 0.000 1.019 54 D HN 0.420 nan 8.370 nan 0.000 0.507 55 E N 1.658 121.860 120.200 0.003 0.000 1.861 55 E HA 0.200 4.557 4.350 0.012 0.000 0.263 55 E C -0.434 176.166 176.600 -0.001 0.000 1.137 55 E CA -0.035 56.367 56.400 0.003 0.000 0.944 55 E CB -0.036 29.665 29.700 0.002 0.000 1.092 55 E HN 0.158 nan 8.360 nan 0.000 0.420 56 I N 3.703 124.272 120.570 -0.001 0.000 2.359 56 I HA 0.234 4.411 4.170 0.012 0.000 0.294 56 I C -0.047 176.067 176.117 -0.005 0.000 0.987 56 I CA -0.627 60.669 61.300 -0.007 0.000 1.225 56 I CB 1.759 39.753 38.000 -0.011 0.000 1.366 56 I HN 0.354 nan 8.210 nan 0.000 0.466 57 T N 5.458 120.006 114.554 -0.009 0.000 2.859 57 T HA 0.699 5.056 4.350 0.012 0.000 0.281 57 T C -0.121 174.570 174.700 -0.015 0.000 1.005 57 T CA -0.690 61.405 62.100 -0.008 0.000 1.025 57 T CB 2.083 70.947 68.868 -0.007 0.000 0.977 57 T HN 0.477 nan 8.240 nan 0.000 0.458 58 V N -2.905 117.002 119.914 -0.012 0.000 3.165 58 V HA 1.061 5.188 4.120 0.012 0.000 0.309 58 V C -0.897 175.188 176.094 -0.016 0.000 1.267 58 V CA -1.378 60.909 62.300 -0.021 0.000 1.067 58 V CB 1.184 32.991 31.823 -0.026 0.000 1.082 58 V HN 1.183 nan 8.190 nan 0.000 0.451 59 K N 0.661 121.047 120.400 -0.024 0.000 2.270 59 K HA 0.872 5.199 4.320 0.012 0.000 0.255 59 K C -1.219 175.371 176.600 -0.016 0.000 0.936 59 K CA -0.555 55.722 56.287 -0.017 0.000 0.809 59 K CB 1.561 34.047 32.500 -0.022 0.000 1.131 59 K HN 0.791 nan 8.250 nan 0.000 0.427 60 I N 3.153 123.723 120.570 -0.000 0.000 2.307 60 I HA 0.146 4.323 4.170 0.012 0.000 0.289 60 I C 1.676 177.800 176.117 0.011 0.000 1.021 60 I CA -0.553 60.753 61.300 0.011 0.000 1.224 60 I CB 1.237 39.256 38.000 0.032 0.000 1.376 60 I HN 0.530 nan 8.210 nan 0.000 0.470 61 V N 5.468 125.384 119.914 0.002 0.000 2.313 61 V HA -0.387 3.740 4.120 0.012 0.000 0.253 61 V C 2.404 178.512 176.094 0.024 0.000 1.070 61 V CA 2.546 64.851 62.300 0.007 0.000 1.057 61 V CB -1.075 30.750 31.823 0.004 0.000 0.653 61 V HN 0.954 nan 8.190 nan 0.000 0.450 62 A N 1.082 123.926 122.820 0.039 0.000 1.877 62 A HA -0.236 4.091 4.320 0.012 0.000 0.216 62 A C 1.860 179.464 177.584 0.033 0.000 1.186 62 A CA 2.226 54.290 52.037 0.044 0.000 0.620 62 A CB -0.559 18.478 19.000 0.062 0.000 0.822 62 A HN 0.777 nan 8.150 nan 0.000 0.443 63 D N -3.705 116.713 120.400 0.030 0.000 2.441 63 D HA 0.235 4.882 4.640 0.012 0.000 0.210 63 D C 0.637 176.947 176.300 0.016 0.000 1.102 63 D CA 0.806 54.820 54.000 0.023 0.000 0.840 63 D CB 0.134 40.948 40.800 0.024 0.000 0.990 63 D HN 0.155 nan 8.370 nan 0.000 0.505 64 S N -1.278 114.431 115.700 0.014 0.000 2.981 64 S HA -0.259 4.218 4.470 0.012 0.000 0.274 64 S C 1.027 175.630 174.600 0.006 0.000 1.297 64 S CA 0.878 59.083 58.200 0.007 0.000 1.266 64 S CB -2.199 61.004 63.200 0.006 0.000 1.542 64 S HN 0.763 nan 8.310 nan 0.000 0.674 65 S N 0.432 116.138 115.700 0.009 0.000 2.534 65 S HA 0.568 5.045 4.470 0.012 0.000 0.241 65 S C 0.440 175.043 174.600 0.006 0.000 1.334 65 S CA 0.426 58.631 58.200 0.008 0.000 0.978 65 S CB 0.312 63.519 63.200 0.012 0.000 0.925 65 S HN 0.451 nan 8.310 nan 0.000 0.522 66 T N 0.505 115.063 114.554 0.007 0.000 2.889 66 T HA 0.705 5.062 4.350 0.012 0.000 0.315 66 T C -1.460 173.246 174.700 0.009 0.000 1.291 66 T CA -0.837 61.266 62.100 0.005 0.000 1.028 66 T CB 1.615 70.484 68.868 0.001 0.000 1.235 66 T HN 0.833 nan 8.240 nan 0.000 0.491 67 R N 0.297 120.802 120.500 0.010 0.000 2.664 67 R HA 0.666 5.013 4.340 0.012 0.000 0.266 67 R C -1.497 174.810 176.300 0.012 0.000 1.046 67 R CA -1.091 55.016 56.100 0.013 0.000 0.885 67 R CB 1.097 31.409 30.300 0.020 0.000 1.254 67 R HN 0.497 nan 8.270 nan 0.000 0.465 68 T N 1.381 115.942 114.554 0.011 0.000 2.829 68 T HA 0.540 4.897 4.350 0.012 0.000 0.282 68 T C -0.340 174.369 174.700 0.016 0.000 0.990 68 T CA -0.764 61.342 62.100 0.010 0.000 1.028 68 T CB 1.408 70.280 68.868 0.008 0.000 0.951 68 T HN 0.470 nan 8.240 nan 0.000 0.460 69 V N -1.532 118.393 119.914 0.017 0.000 2.686 69 V HA 0.916 5.043 4.120 0.012 0.000 0.306 69 V C -0.058 176.049 176.094 0.022 0.000 1.065 69 V CA -1.567 60.748 62.300 0.026 0.000 0.894 69 V CB 0.636 32.483 31.823 0.040 0.000 1.004 69 V HN 1.005 nan 8.190 nan 0.000 0.424 70 K N 2.127 122.542 120.400 0.025 0.000 2.491 70 K HA 0.460 4.787 4.320 0.012 0.000 0.279 70 K C 1.435 178.048 176.600 0.022 0.000 1.026 70 K CA 0.883 57.183 56.287 0.022 0.000 1.070 70 K CB -0.478 32.036 32.500 0.024 0.000 0.887 70 K HN 1.787 nan 8.250 nan 0.000 0.481 71 K N 2.149 122.557 120.400 0.013 0.000 2.032 71 K HA -0.273 4.054 4.320 0.012 0.000 0.218 71 K C 1.743 178.351 176.600 0.012 0.000 1.054 71 K CA 2.583 58.874 56.287 0.007 0.000 0.941 71 K CB -1.143 31.358 32.500 0.002 0.000 0.720 71 K HN 1.017 nan 8.250 nan 0.000 0.449 72 D N 0.451 120.862 120.400 0.018 0.000 2.265 72 D HA -0.176 4.471 4.640 0.012 0.000 0.208 72 D C 1.057 177.380 176.300 0.038 0.000 0.977 72 D CA 1.305 55.320 54.000 0.024 0.000 0.871 72 D CB -0.433 40.383 40.800 0.027 0.000 0.925 72 D HN 0.513 nan 8.370 nan 0.000 0.485 73 D N 0.681 121.109 120.400 0.047 0.000 2.178 73 D HA 0.043 4.690 4.640 0.012 0.000 0.202 73 D C 0.964 177.321 176.300 0.095 0.000 0.974 73 D CA 0.188 54.236 54.000 0.079 0.000 0.841 73 D CB 0.090 40.935 40.800 0.076 0.000 0.953 73 D HN 0.380 nan 8.370 nan 0.000 0.478 74 I N 1.284 121.885 120.570 0.053 0.000 2.648 74 I HA -0.008 4.170 4.170 0.012 0.000 0.284 74 I C 0.665 176.777 176.117 -0.009 0.000 1.153 74 I CA 0.281 61.599 61.300 0.030 0.000 1.426 74 I CB 0.440 38.434 38.000 -0.011 0.000 1.381 74 I HN -0.207 nan 8.210 nan 0.000 0.571 75 Q N 3.858 123.641 119.800 -0.028 0.000 2.337 75 Q HA 0.352 4.699 4.340 0.012 0.000 0.266 75 Q C -0.686 175.245 176.000 -0.114 0.000 1.023 75 Q CA -0.674 55.074 55.803 -0.091 0.000 0.829 75 Q CB 2.327 30.941 28.738 -0.207 0.000 1.306 75 Q HN 0.646 nan 8.270 nan 0.000 0.449 76 S N 2.223 117.771 115.700 -0.253 0.000 2.552 76 S HA 0.102 4.579 4.470 0.012 0.000 0.289 76 S C -0.252 174.184 174.600 -0.273 0.000 1.304 76 S CA 0.254 58.129 58.200 -0.542 0.000 1.063 76 S CB 0.270 62.660 63.200 -1.351 0.000 0.848 76 S HN 0.484 nan 8.310 nan 0.000 0.499 77 M N 3.897 123.341 119.600 -0.261 0.000 2.423 77 M HA 0.350 4.837 4.480 0.012 0.000 0.335 77 M C -0.464 176.024 176.300 0.314 0.000 1.177 77 M CA -0.646 54.624 55.300 -0.050 0.000 1.038 77 M CB 0.787 33.176 32.600 -0.351 0.000 1.641 77 M HN 0.472 nan 8.290 nan 0.000 0.455 78 N N 3.525 122.418 118.700 0.321 0.000 2.509 78 N HA 0.497 5.244 4.740 0.012 0.000 0.287 78 N C -2.611 172.912 175.510 0.022 0.000 1.121 78 N CA -1.127 52.106 53.050 0.306 0.000 0.977 78 N CB 1.100 39.722 38.487 0.224 0.000 1.167 78 N HN 0.411 nan 8.380 nan 0.000 0.476 79 P HA 0.169 nan 4.420 nan 0.000 0.270 79 P C -1.814 175.289 177.300 -0.328 0.000 1.223 79 P CA -0.877 61.927 63.100 -0.494 0.000 0.785 79 P CB 0.198 31.910 31.700 0.019 0.000 0.923 80 P HA -0.166 nan 4.420 nan 0.000 0.219 80 P C 1.305 178.522 177.300 -0.138 0.000 1.146 80 P CA 1.404 64.379 63.100 -0.209 0.000 0.808 80 P CB -0.109 31.479 31.700 -0.188 0.000 0.779 81 K N -0.466 119.788 120.400 -0.243 0.000 2.293 81 K HA -0.149 4.178 4.320 0.012 0.000 0.204 81 K C 0.045 176.315 176.600 -0.550 0.000 1.045 81 K CA 1.157 57.187 56.287 -0.428 0.000 0.933 81 K CB -0.412 31.717 32.500 -0.618 0.000 0.736 81 K HN 0.167 nan 8.250 nan 0.000 0.463 82 F N 1.532 121.471 119.950 -0.018 0.000 2.928 82 F HA 0.293 4.826 4.527 0.011 0.000 0.337 82 F C -0.196 175.647 175.800 0.073 0.000 1.259 82 F CA -0.809 57.210 58.000 0.032 0.000 1.267 82 F CB 0.562 39.594 39.000 0.054 0.000 0.986 82 F HN -0.211 nan 8.300 nan 0.000 0.507 83 E N 1.139 121.434 120.200 0.159 0.000 2.283 83 E HA 0.160 4.517 4.350 0.012 0.000 0.278 83 E C 0.433 177.085 176.600 0.087 0.000 1.027 83 E CA -0.314 56.178 56.400 0.153 0.000 0.843 83 E CB 0.893 30.653 29.700 0.101 0.000 1.062 83 E HN 0.301 nan 8.360 nan 0.000 0.401 84 K N 0.806 121.235 120.400 0.049 0.000 3.012 84 K HA -0.242 4.085 4.320 0.012 0.000 0.259 84 K C 0.234 176.862 176.600 0.046 0.000 0.989 84 K CA 0.094 56.388 56.287 0.012 0.000 0.728 84 K CB -1.358 31.129 32.500 -0.020 0.000 1.260 84 K HN 0.284 nan 8.250 nan 0.000 0.480 85 L N 1.396 122.681 121.223 0.103 0.000 2.499 85 L HA -0.032 4.315 4.340 0.012 0.000 0.273 85 L C 1.444 178.373 176.870 0.099 0.000 1.195 85 L CA 0.653 55.569 54.840 0.127 0.000 0.882 85 L CB 0.626 42.815 42.059 0.217 0.000 1.133 85 L HN 0.147 nan 8.230 nan 0.000 0.483 86 E N 1.640 121.894 120.200 0.090 0.000 2.110 86 E HA -0.147 4.210 4.350 0.012 0.000 0.193 86 E C -0.179 176.514 176.600 0.155 0.000 0.988 86 E CA 1.334 57.783 56.400 0.082 0.000 0.804 86 E CB 0.118 29.866 29.700 0.080 0.000 0.745 86 E HN 0.627 nan 8.360 nan 0.000 0.458 87 D N -0.805 119.711 120.400 0.193 0.000 2.421 87 D HA 0.142 4.789 4.640 0.012 0.000 0.254 87 D C 0.267 176.665 176.300 0.163 0.000 1.238 87 D CA -0.234 53.904 54.000 0.230 0.000 0.919 87 D CB 0.876 41.825 40.800 0.249 0.000 1.152 87 D HN -0.111 nan 8.370 nan 0.000 0.552 88 M N 1.996 121.684 119.600 0.147 0.000 2.706 88 M HA -0.050 4.438 4.480 0.012 0.000 0.253 88 M C 1.664 178.010 176.300 0.077 0.000 1.063 88 M CA 0.625 55.988 55.300 0.105 0.000 1.067 88 M CB 0.084 32.744 32.600 0.101 0.000 1.423 88 M HN 0.431 nan 8.290 nan 0.000 0.530 89 A N 0.432 123.306 122.820 0.089 0.000 2.206 89 A HA -0.035 4.292 4.320 0.012 0.000 0.211 89 A C 1.698 179.305 177.584 0.038 0.000 1.158 89 A CA 0.960 53.032 52.037 0.059 0.000 0.761 89 A CB -0.310 18.722 19.000 0.054 0.000 0.801 89 A HN 0.494 nan 8.150 nan 0.000 0.473 90 N N -0.724 118.006 118.700 0.050 0.000 2.368 90 N HA 0.137 4.885 4.740 0.012 0.000 0.178 90 N C 0.232 175.715 175.510 -0.046 0.000 1.076 90 N CA 0.066 53.146 53.050 0.050 0.000 0.889 90 N CB -0.135 38.425 38.487 0.123 0.000 1.040 90 N HN 0.456 nan 8.380 nan 0.000 0.463 91 M N 1.083 120.597 119.600 -0.144 0.000 2.248 91 M HA -0.049 4.438 4.480 0.012 0.000 0.343 91 M C 1.462 177.432 176.300 -0.549 0.000 1.243 91 M CA 0.406 55.377 55.300 -0.548 0.000 1.025 91 M CB 0.274 32.700 32.600 -0.290 0.000 1.759 91 M HN -0.030 nan 8.290 nan 0.000 0.452 92 T N 1.661 115.653 114.554 -0.938 0.000 2.665 92 T HA -0.152 4.205 4.350 0.012 0.000 0.268 92 T C -0.064 174.357 174.700 -0.465 0.000 1.035 92 T CA 1.622 63.371 62.100 -0.584 0.000 1.151 92 T CB -0.144 68.368 68.868 -0.595 0.000 0.862 92 T HN 0.412 nan 8.240 nan 0.000 0.438 93 Y N 0.294 120.479 120.300 -0.192 0.000 2.342 93 Y HA 0.541 5.098 4.550 0.012 0.000 0.338 93 Y C -0.188 175.674 175.900 -0.063 0.000 0.965 93 Y CA -1.260 56.797 58.100 -0.071 0.000 1.159 93 Y CB 0.777 39.232 38.460 -0.008 0.000 1.157 93 Y HN 0.068 nan 8.280 nan 0.000 0.486 94 L N 7.175 128.472 121.223 0.124 0.000 2.313 94 L HA 0.452 4.799 4.340 0.012 0.000 0.273 94 L C -0.853 176.055 176.870 0.064 0.000 1.028 94 L CA -0.095 54.786 54.840 0.068 0.000 0.871 94 L CB -0.189 41.900 42.059 0.049 0.000 1.242 94 L HN 0.840 nan 8.230 nan 0.000 0.434 95 N N 1.193 119.914 118.700 0.035 0.000 3.039 95 N HA 0.112 4.859 4.740 0.012 0.000 0.257 95 N C 0.158 175.644 175.510 -0.041 0.000 1.497 95 N CA -0.804 52.246 53.050 -0.001 0.000 0.861 95 N CB 1.162 39.633 38.487 -0.026 0.000 1.479 95 N HN 0.212 nan 8.380 nan 0.000 0.547 96 E N 0.270 120.453 120.200 -0.029 0.000 2.095 96 E HA -0.319 4.038 4.350 0.012 0.000 0.212 96 E C 1.786 178.355 176.600 -0.051 0.000 1.044 96 E CA 2.833 59.252 56.400 0.031 0.000 0.857 96 E CB -0.249 29.558 29.700 0.178 0.000 0.764 96 E HN 0.623 nan 8.360 nan 0.000 0.462 97 A N 0.361 122.939 122.820 -0.403 0.000 1.872 97 A HA -0.150 4.177 4.320 0.012 0.000 0.214 97 A C 2.265 179.478 177.584 -0.617 0.000 1.187 97 A CA 1.896 53.453 52.037 -0.800 0.000 0.614 97 A CB -0.696 17.265 19.000 -1.731 0.000 0.826 97 A HN 0.420 nan 8.150 nan 0.000 0.442 98 S N -0.497 115.012 115.700 -0.318 0.000 2.442 98 S HA -0.087 4.390 4.470 0.012 0.000 0.236 98 S C 1.657 176.276 174.600 0.032 0.000 1.007 98 S CA 1.444 59.638 58.200 -0.009 0.000 0.965 98 S CB -0.561 62.709 63.200 0.117 0.000 0.773 98 S HN 0.208 nan 8.310 nan 0.000 0.504 99 V N 1.419 121.317 119.914 -0.027 0.000 2.331 99 V HA 0.034 4.161 4.120 0.012 0.000 0.242 99 V C 2.384 178.472 176.094 -0.010 0.000 1.034 99 V CA 1.309 63.614 62.300 0.009 0.000 1.027 99 V CB -0.669 31.161 31.823 0.011 0.000 0.667 99 V HN 0.541 nan 8.190 nan 0.000 0.457 100 L N -0.247 120.950 121.223 -0.044 0.000 2.079 100 L HA -0.217 4.130 4.340 0.012 0.000 0.210 100 L C 2.220 179.064 176.870 -0.043 0.000 1.081 100 L CA 2.244 57.059 54.840 -0.043 0.000 0.752 100 L CB -0.991 41.057 42.059 -0.020 0.000 0.896 100 L HN 0.457 nan 8.230 nan 0.000 0.433 101 Y N 0.767 120.942 120.300 -0.208 0.000 2.092 101 Y HA -0.239 4.319 4.550 0.013 0.000 0.282 101 Y C 2.590 178.488 175.900 -0.003 0.000 1.126 101 Y CA 2.193 60.214 58.100 -0.132 0.000 1.111 101 Y CB -0.844 37.542 38.460 -0.124 0.000 0.987 101 Y HN 0.423 nan 8.280 nan 0.000 0.489 102 N N -0.175 118.535 118.700 0.017 0.000 2.405 102 N HA -0.206 4.541 4.740 0.012 0.000 0.189 102 N C 1.652 177.116 175.510 -0.077 0.000 1.021 102 N CA 0.813 53.840 53.050 -0.037 0.000 0.891 102 N CB -0.157 38.382 38.487 0.086 0.000 0.955 102 N HN 0.421 nan 8.380 nan 0.000 0.443 103 L N 0.266 121.446 121.223 -0.072 0.000 2.121 103 L HA -0.044 4.303 4.340 0.012 0.000 0.200 103 L C 2.482 179.325 176.870 -0.045 0.000 1.077 103 L CA 0.600 55.410 54.840 -0.050 0.000 0.766 103 L CB -0.362 41.668 42.059 -0.049 0.000 0.931 103 L HN 0.199 nan 8.230 nan 0.000 0.452 104 R N -0.337 120.123 120.500 -0.067 0.000 2.092 104 R HA -0.065 4.282 4.340 0.012 0.000 0.231 104 R C 2.232 178.511 176.300 -0.034 0.000 1.119 104 R CA 1.423 57.522 56.100 -0.001 0.000 0.970 104 R CB -0.875 29.425 30.300 0.001 0.000 0.864 104 R HN 0.088 nan 8.270 nan 0.000 0.440 105 S N 1.147 116.723 115.700 -0.206 0.000 2.369 105 S HA -0.192 4.285 4.470 0.012 0.000 0.225 105 S C 1.994 176.523 174.600 -0.119 0.000 1.043 105 S CA 1.823 59.872 58.200 -0.251 0.000 1.074 105 S CB -0.290 62.608 63.200 -0.504 0.000 0.962 105 S HN 0.375 nan 8.310 nan 0.000 0.433 106 R N -0.609 119.839 120.500 -0.087 0.000 2.073 106 R HA -0.093 4.254 4.340 0.012 0.000 0.234 106 R C 2.299 178.592 176.300 -0.012 0.000 1.134 106 R CA 1.682 57.754 56.100 -0.047 0.000 0.952 106 R CB -0.536 29.747 30.300 -0.028 0.000 0.850 106 R HN 0.528 nan 8.270 nan 0.000 0.433 107 Y N 1.593 121.837 120.300 -0.095 0.000 2.207 107 Y HA -0.278 4.279 4.550 0.011 0.000 0.287 107 Y C 2.456 178.320 175.900 -0.059 0.000 1.156 107 Y CA 2.032 60.086 58.100 -0.076 0.000 1.182 107 Y CB -0.175 38.249 38.460 -0.061 0.000 0.979 107 Y HN 0.168 nan 8.280 nan 0.000 0.521 108 T N -3.782 110.737 114.554 -0.059 0.000 3.035 108 T HA -0.063 4.294 4.350 0.012 0.000 0.268 108 T C 1.614 176.220 174.700 -0.157 0.000 1.109 108 T CA 1.126 63.149 62.100 -0.128 0.000 1.119 108 T CB -0.401 68.448 68.868 -0.032 0.000 0.900 108 T HN 0.244 nan 8.240 nan 0.000 0.503 109 S N 0.447 116.059 115.700 -0.147 0.000 2.575 109 S HA 0.472 4.949 4.470 0.012 0.000 0.215 109 S C 1.738 176.204 174.600 -0.223 0.000 0.966 109 S CA 0.181 58.284 58.200 -0.162 0.000 0.911 109 S CB -0.060 63.062 63.200 -0.131 0.000 0.780 109 S HN 0.950 nan 8.310 nan 0.000 0.514 110 G N 1.149 109.810 108.800 -0.230 0.000 2.179 110 G HA2 -0.195 3.773 3.960 0.012 0.000 0.220 110 G HA3 -0.195 3.773 3.960 0.012 0.000 0.220 110 G C -0.021 174.804 174.900 -0.125 0.000 0.990 110 G CA -0.445 44.544 45.100 -0.185 0.000 0.646 110 G HN 0.433 nan 8.290 nan 0.000 0.517 111 L N 1.202 122.346 121.223 -0.132 0.000 2.349 111 L HA 0.613 4.961 4.340 0.012 0.000 0.275 111 L C 1.788 178.620 176.870 -0.064 0.000 1.115 111 L CA -0.004 54.776 54.840 -0.099 0.000 0.820 111 L CB 0.937 42.951 42.059 -0.076 0.000 1.135 111 L HN 0.361 nan 8.230 nan 0.000 0.445 112 I N -1.954 118.508 120.570 -0.181 0.000 4.655 112 I HA 0.175 4.352 4.170 0.012 0.000 0.333 112 I C -0.524 175.441 176.117 -0.253 0.000 1.312 112 I CA -0.212 60.972 61.300 -0.193 0.000 1.270 112 I CB 0.586 38.392 38.000 -0.324 0.000 1.318 112 I HN 0.253 nan 8.210 nan 0.000 0.456 113 Y N 2.989 123.217 120.300 -0.120 0.000 2.356 113 Y HA 0.643 5.198 4.550 0.009 0.000 0.334 113 Y C -0.210 175.569 175.900 -0.202 0.000 0.958 113 Y CA -1.415 56.579 58.100 -0.177 0.000 1.196 113 Y CB 1.356 39.649 38.460 -0.278 0.000 1.137 113 Y HN -0.033 nan 8.280 nan 0.000 0.485 114 T N 3.145 117.711 114.554 0.021 0.000 2.848 114 T HA 0.466 4.823 4.350 0.012 0.000 0.285 114 T C -0.575 174.167 174.700 0.070 0.000 0.995 114 T CA -0.847 61.244 62.100 -0.015 0.000 0.970 114 T CB 0.913 69.802 68.868 0.035 0.000 0.976 114 T HN 0.368 nan 8.240 nan 0.000 0.441 115 Y N 0.910 121.284 120.300 0.123 0.000 2.295 115 Y HA 0.474 5.031 4.550 0.012 0.000 0.331 115 Y C 1.327 177.307 175.900 0.133 0.000 1.311 115 Y CA -0.606 57.574 58.100 0.133 0.000 1.430 115 Y CB 1.184 39.715 38.460 0.117 0.000 1.339 115 Y HN 0.666 nan 8.280 nan 0.000 0.552 116 S N 0.753 116.660 115.700 0.345 0.000 2.539 116 S HA 0.424 4.901 4.470 0.012 0.000 0.176 116 S C -0.221 174.489 174.600 0.183 0.000 0.829 116 S CA 0.283 58.630 58.200 0.245 0.000 0.990 116 S CB -0.773 62.590 63.200 0.272 0.000 1.717 116 S HN 1.367 nan 8.310 nan 0.000 0.519 117 G N 2.197 111.061 108.800 0.107 0.000 2.578 117 G HA2 -0.229 3.738 3.960 0.012 0.000 0.232 117 G HA3 -0.229 3.738 3.960 0.012 0.000 0.232 117 G C 0.468 175.361 174.900 -0.012 0.000 1.176 117 G CA -0.081 45.025 45.100 0.011 0.000 0.968 117 G HN 0.789 nan 8.290 nan 0.000 0.583 118 L N 0.762 121.954 121.223 -0.051 0.000 2.217 118 L HA 0.265 4.612 4.340 0.012 0.000 0.211 118 L C 1.976 178.953 176.870 0.178 0.000 1.107 118 L CA 0.335 55.206 54.840 0.051 0.000 0.783 118 L CB -0.445 41.696 42.059 0.136 0.000 0.919 118 L HN 0.306 nan 8.230 nan 0.000 0.442 119 F N -0.889 119.173 119.950 0.188 0.000 2.532 119 F HA -0.005 4.529 4.527 0.012 0.000 0.323 119 F C 0.731 176.668 175.800 0.228 0.000 1.234 119 F CA -0.430 57.664 58.000 0.156 0.000 1.323 119 F CB 0.587 39.610 39.000 0.038 0.000 1.183 119 F HN -0.092 nan 8.300 nan 0.000 0.589 120 C N 3.839 123.414 119.300 0.459 0.000 3.430 120 C HA 0.418 4.885 4.460 0.012 0.000 0.268 120 C C -0.316 174.812 174.990 0.230 0.000 1.101 120 C CA -0.878 58.377 59.018 0.395 0.000 1.286 120 C CB -1.707 26.244 27.740 0.351 0.000 1.795 120 C HN 0.581 nan 8.230 nan 0.000 0.569 121 I N 4.021 124.703 120.570 0.187 0.000 2.662 121 I HA 0.326 4.503 4.170 0.012 0.000 0.285 121 I C 0.873 177.064 176.117 0.124 0.000 1.161 121 I CA 0.801 62.154 61.300 0.087 0.000 1.415 121 I CB 0.519 38.545 38.000 0.044 0.000 1.385 121 I HN 0.693 nan 8.210 nan 0.000 0.552 122 A N 7.058 129.947 122.820 0.116 0.000 2.285 122 A HA 0.650 4.977 4.320 0.012 0.000 0.310 122 A C -0.456 177.132 177.584 0.007 0.000 1.266 122 A CA -0.573 51.559 52.037 0.157 0.000 0.832 122 A CB 0.805 20.006 19.000 0.337 0.000 1.163 122 A HN 0.469 nan 8.150 nan 0.000 0.499 123 V N 3.336 123.215 119.914 -0.057 0.000 2.461 123 V HA 0.137 4.264 4.120 0.012 0.000 0.275 123 V C 0.799 176.847 176.094 -0.077 0.000 1.047 123 V CA -1.031 61.182 62.300 -0.144 0.000 0.955 123 V CB 0.847 32.487 31.823 -0.304 0.000 0.988 123 V HN 0.900 nan 8.190 nan 0.000 0.471 124 N N 6.640 125.269 118.700 -0.118 0.000 2.365 124 N HA 0.014 4.761 4.740 0.012 0.000 0.265 124 N C -1.668 173.843 175.510 0.001 0.000 1.288 124 N CA -0.991 51.953 53.050 -0.176 0.000 0.869 124 N CB 1.647 39.903 38.487 -0.384 0.000 1.071 124 N HN 0.334 nan 8.380 nan 0.000 0.480 125 P HA -0.009 nan 4.420 nan 0.000 0.217 125 P C -0.352 177.029 177.300 0.136 0.000 1.154 125 P CA 0.900 64.043 63.100 0.071 0.000 0.841 125 P CB 0.062 31.743 31.700 -0.033 0.000 0.788 126 Y N -1.234 119.105 120.300 0.065 0.000 4.272 126 Y HA -0.248 4.309 4.550 0.012 0.000 0.232 126 Y C 0.423 176.335 175.900 0.021 0.000 1.149 126 Y CA 0.713 58.840 58.100 0.046 0.000 1.961 126 Y CB -2.236 36.262 38.460 0.063 0.000 1.611 126 Y HN 0.208 nan 8.280 nan 0.000 0.682 127 R N -1.710 118.836 120.500 0.076 0.000 2.907 127 R HA 0.675 5.023 4.340 0.012 0.000 0.246 127 R C -1.088 175.209 176.300 -0.007 0.000 1.082 127 R CA -1.311 54.810 56.100 0.035 0.000 1.003 127 R CB 0.909 31.221 30.300 0.021 0.000 1.261 127 R HN -0.089 nan 8.270 nan 0.000 0.474 128 R N 1.814 122.311 120.500 -0.006 0.000 2.643 128 R HA 0.422 4.769 4.340 0.012 0.000 0.270 128 R C -0.347 175.916 176.300 -0.062 0.000 1.061 128 R CA 0.089 56.194 56.100 0.009 0.000 1.107 128 R CB 0.337 30.649 30.300 0.021 0.000 0.999 128 R HN 0.539 nan 8.270 nan 0.000 0.460 129 L N 3.550 124.751 121.223 -0.037 0.000 2.370 129 L HA 0.434 4.781 4.340 0.012 0.000 0.266 129 L C -1.724 175.016 176.870 -0.218 0.000 1.002 129 L CA -2.158 52.530 54.840 -0.253 0.000 0.818 129 L CB 2.466 44.309 42.059 -0.359 0.000 1.325 129 L HN 0.467 nan 8.230 nan 0.000 0.418 130 P HA 0.027 nan 4.420 nan 0.000 0.263 130 P C 0.933 178.149 177.300 -0.141 0.000 1.386 130 P CA 0.339 63.347 63.100 -0.153 0.000 0.797 130 P CB -0.037 31.577 31.700 -0.144 0.000 1.381 131 I N -2.901 117.472 120.570 -0.328 0.000 2.852 131 I HA -0.060 4.117 4.170 0.012 0.000 0.264 131 I C 0.903 176.849 176.117 -0.285 0.000 1.179 131 I CA 0.790 61.870 61.300 -0.366 0.000 1.480 131 I CB -1.240 36.331 38.000 -0.716 0.000 1.111 131 I HN 0.047 nan 8.210 nan 0.000 0.441 132 Y N 2.791 123.151 120.300 0.100 0.000 2.676 132 Y HA 0.173 4.727 4.550 0.007 0.000 0.331 132 Y C 1.388 177.472 175.900 0.307 0.000 1.128 132 Y CA -0.661 57.592 58.100 0.255 0.000 1.360 132 Y CB -0.781 37.827 38.460 0.245 0.000 1.176 132 Y HN 0.064 nan 8.280 nan 0.000 0.518 133 T N -3.986 110.755 114.554 0.312 0.000 2.899 133 T HA 0.101 4.458 4.350 0.012 0.000 0.284 133 T C 0.919 175.752 174.700 0.221 0.000 1.004 133 T CA -0.733 61.500 62.100 0.221 0.000 1.043 133 T CB 1.436 70.381 68.868 0.128 0.000 1.013 133 T HN 0.166 nan 8.240 nan 0.000 0.518 134 D N 1.259 121.738 120.400 0.132 0.000 2.116 134 D HA -0.198 4.449 4.640 0.012 0.000 0.193 134 D C 2.376 178.723 176.300 0.079 0.000 0.998 134 D CA 2.047 56.092 54.000 0.075 0.000 0.836 134 D CB -0.548 40.272 40.800 0.033 0.000 0.951 134 D HN 0.735 nan 8.370 nan 0.000 0.449 135 S N 0.609 116.355 115.700 0.076 0.000 2.359 135 S HA -0.149 4.328 4.470 0.012 0.000 0.224 135 S C 2.318 176.982 174.600 0.107 0.000 1.035 135 S CA 1.407 59.644 58.200 0.062 0.000 1.018 135 S CB -0.693 62.528 63.200 0.035 0.000 0.876 135 S HN 0.099 nan 8.310 nan 0.000 0.448 136 V N 2.508 122.519 119.914 0.162 0.000 2.255 136 V HA -0.186 3.942 4.120 0.012 0.000 0.247 136 V C 2.531 178.874 176.094 0.415 0.000 1.051 136 V CA 2.190 64.656 62.300 0.275 0.000 1.018 136 V CB -0.829 31.174 31.823 0.301 0.000 0.641 136 V HN 0.564 nan 8.190 nan 0.000 0.445 137 I N 0.497 121.284 120.570 0.360 0.000 2.185 137 I HA -0.344 3.833 4.170 0.012 0.000 0.246 137 I C 2.568 178.783 176.117 0.162 0.000 1.088 137 I CA 1.819 63.248 61.300 0.214 0.000 1.347 137 I CB -0.636 37.310 38.000 -0.091 0.000 1.041 137 I HN 0.347 nan 8.210 nan 0.000 0.415 138 A N 1.286 124.176 122.820 0.116 0.000 2.014 138 A HA -0.164 4.163 4.320 0.012 0.000 0.218 138 A C 2.154 179.808 177.584 0.116 0.000 1.163 138 A CA 1.291 53.375 52.037 0.078 0.000 0.652 138 A CB -0.373 18.650 19.000 0.040 0.000 0.808 138 A HN 0.528 nan 8.150 nan 0.000 0.449 139 K N -2.083 118.410 120.400 0.155 0.000 2.459 139 K HA 0.065 4.393 4.320 0.012 0.000 0.193 139 K C 0.880 177.511 176.600 0.052 0.000 1.030 139 K CA 0.712 57.052 56.287 0.089 0.000 1.026 139 K CB -0.177 32.344 32.500 0.036 0.000 0.809 139 K HN 0.514 nan 8.250 nan 0.000 0.504 140 Y N 1.555 121.976 120.300 0.201 0.000 2.497 140 Y HA 0.154 4.711 4.550 0.012 0.000 0.265 140 Y C 0.514 176.542 175.900 0.213 0.000 1.111 140 Y CA -0.408 57.831 58.100 0.232 0.000 1.288 140 Y CB 0.471 39.111 38.460 0.300 0.000 1.082 140 Y HN -0.164 nan 8.280 nan 0.000 0.536 141 R N 1.034 121.704 120.500 0.284 0.000 2.488 141 R HA 0.004 4.351 4.340 0.012 0.000 0.317 141 R C 1.195 177.590 176.300 0.159 0.000 0.941 141 R CA 1.134 57.353 56.100 0.199 0.000 1.076 141 R CB -0.429 29.930 30.300 0.099 0.000 0.917 141 R HN 0.630 nan 8.270 nan 0.000 0.407 142 G N 2.774 111.678 108.800 0.172 0.000 2.189 142 G HA2 -0.294 3.673 3.960 0.012 0.000 0.267 142 G HA3 -0.294 3.673 3.960 0.012 0.000 0.267 142 G C -0.034 174.924 174.900 0.096 0.000 0.975 142 G CA 0.308 45.478 45.100 0.117 0.000 0.644 142 G HN 0.476 nan 8.290 nan 0.000 0.537 143 K N 0.781 121.251 120.400 0.117 0.000 2.172 143 K HA 0.706 5.033 4.320 0.012 0.000 0.276 143 K C 0.856 177.518 176.600 0.103 0.000 1.013 143 K CA 0.064 56.403 56.287 0.087 0.000 0.913 143 K CB 0.932 33.464 32.500 0.054 0.000 1.055 143 K HN 0.633 nan 8.250 nan 0.000 0.461 144 R N 1.948 122.493 120.500 0.075 0.000 2.822 144 R HA 0.032 4.379 4.340 0.012 0.000 0.277 144 R C 1.177 177.541 176.300 0.106 0.000 1.102 144 R CA 0.710 56.854 56.100 0.074 0.000 1.207 144 R CB -0.430 29.898 30.300 0.045 0.000 1.139 144 R HN 0.708 nan 8.270 nan 0.000 0.557 145 K N -0.099 120.357 120.400 0.094 0.000 2.167 145 K HA -0.077 4.250 4.320 0.012 0.000 0.203 145 K C 2.142 178.848 176.600 0.177 0.000 1.052 145 K CA 1.751 58.130 56.287 0.154 0.000 0.956 145 K CB 0.188 32.662 32.500 -0.043 0.000 0.735 145 K HN 0.846 nan 8.250 nan 0.000 0.451 146 T N -1.406 113.203 114.554 0.092 0.000 3.118 146 T HA 0.026 4.383 4.350 0.012 0.000 0.260 146 T C 1.124 175.865 174.700 0.067 0.000 1.139 146 T CA 0.529 62.680 62.100 0.085 0.000 1.085 146 T CB 0.015 68.911 68.868 0.046 0.000 0.934 146 T HN 0.163 nan 8.240 nan 0.000 0.518 147 E N 0.340 120.578 120.200 0.064 0.000 2.463 147 E HA 0.496 4.853 4.350 0.012 0.000 0.193 147 E C 0.040 176.643 176.600 0.006 0.000 1.041 147 E CA -0.204 56.216 56.400 0.033 0.000 0.879 147 E CB 0.400 30.119 29.700 0.032 0.000 0.997 147 E HN 0.630 nan 8.360 nan 0.000 0.478 148 I N -0.716 119.867 120.570 0.021 0.000 2.793 148 I HA 0.186 4.364 4.170 0.012 0.000 0.295 148 I C -2.892 173.244 176.117 0.032 0.000 1.610 148 I CA -2.431 58.830 61.300 -0.065 0.000 0.986 148 I CB 1.906 39.787 38.000 -0.199 0.000 1.402 148 I HN -0.260 nan 8.210 nan 0.000 0.500 149 P HA 0.100 nan 4.420 nan 0.000 0.263 149 P C -2.525 174.864 177.300 0.148 0.000 1.168 149 P CA -0.195 62.913 63.100 0.013 0.000 0.759 149 P CB -0.251 31.399 31.700 -0.083 0.000 0.782 150 P HA -0.039 nan 4.420 nan 0.000 0.261 150 P C -0.488 176.750 177.300 -0.102 0.000 1.183 150 P CA 1.266 64.074 63.100 -0.487 0.000 0.761 150 P CB 0.148 31.422 31.700 -0.710 0.000 0.785 151 H N 2.558 121.490 119.070 -0.230 0.000 3.046 151 H HA 0.144 4.706 4.556 0.009 0.000 0.361 151 H C 0.227 175.146 175.328 -0.681 0.000 1.235 151 H CA -0.674 55.120 56.048 -0.423 0.000 1.146 151 H CB 1.294 30.759 29.762 -0.494 0.000 1.859 151 H HN 0.159 nan 8.280 nan 0.000 0.548 152 L N 3.403 124.090 121.223 -0.894 0.000 2.012 152 L HA -0.124 4.223 4.340 0.012 0.000 0.210 152 L C 1.673 178.492 176.870 -0.085 0.000 1.073 152 L CA 1.759 56.298 54.840 -0.501 0.000 0.748 152 L CB -0.821 40.946 42.059 -0.487 0.000 0.891 152 L HN 0.520 nan 8.230 nan 0.000 0.431 153 F N -0.412 119.375 119.950 -0.272 0.000 2.184 153 F HA -0.255 4.275 4.527 0.005 0.000 0.301 153 F C 2.962 178.357 175.800 -0.675 0.000 1.076 153 F CA 1.386 58.876 58.000 -0.850 0.000 1.295 153 F CB -1.709 36.656 39.000 -1.059 0.000 1.026 153 F HN 0.226 nan 8.300 nan 0.000 0.494 154 S N -0.411 115.227 115.700 -0.104 0.000 2.406 154 S HA -0.072 4.405 4.470 0.012 0.000 0.228 154 S C 2.269 176.882 174.600 0.023 0.000 1.020 154 S CA 0.785 59.053 58.200 0.114 0.000 0.965 154 S CB -0.266 63.152 63.200 0.364 0.000 0.798 154 S HN 0.092 nan 8.310 nan 0.000 0.488 155 V N 1.771 121.673 119.914 -0.020 0.000 2.427 155 V HA -0.109 4.018 4.120 0.012 0.000 0.248 155 V C 2.673 178.626 176.094 -0.236 0.000 1.051 155 V CA 1.702 63.957 62.300 -0.074 0.000 1.048 155 V CB -1.135 30.671 31.823 -0.029 0.000 0.666 155 V HN 0.553 nan 8.190 nan 0.000 0.456 156 A N -0.356 122.309 122.820 -0.258 0.000 1.872 156 A HA -0.231 4.096 4.320 0.012 0.000 0.214 156 A C 2.212 179.695 177.584 -0.167 0.000 1.187 156 A CA 1.724 53.594 52.037 -0.278 0.000 0.614 156 A CB -0.591 18.168 19.000 -0.402 0.000 0.826 156 A HN 0.550 nan 8.150 nan 0.000 0.442 157 D N -0.157 120.140 120.400 -0.173 0.000 2.077 157 D HA -0.178 4.469 4.640 0.012 0.000 0.196 157 D C 1.564 177.929 176.300 0.108 0.000 0.986 157 D CA 1.157 55.257 54.000 0.167 0.000 0.829 157 D CB -0.360 40.617 40.800 0.296 0.000 0.983 157 D HN 0.320 nan 8.370 nan 0.000 0.453 158 N N 0.242 118.966 118.700 0.040 0.000 2.417 158 N HA -0.142 4.605 4.740 0.012 0.000 0.187 158 N C 1.543 177.038 175.510 -0.025 0.000 1.027 158 N CA 0.892 53.962 53.050 0.032 0.000 0.891 158 N CB 0.026 38.541 38.487 0.046 0.000 0.956 158 N HN 0.254 nan 8.380 nan 0.000 0.442 159 A N -0.206 122.516 122.820 -0.163 0.000 1.874 159 A HA -0.127 4.200 4.320 0.012 0.000 0.214 159 A C 2.084 179.639 177.584 -0.048 0.000 1.189 159 A CA 0.660 52.535 52.037 -0.269 0.000 0.615 159 A CB -0.872 17.833 19.000 -0.491 0.000 0.830 159 A HN 0.374 nan 8.150 nan 0.000 0.443 160 Y N 0.466 120.689 120.300 -0.128 0.000 2.114 160 Y HA -0.206 4.353 4.550 0.015 0.000 0.284 160 Y C 2.276 178.107 175.900 -0.115 0.000 1.143 160 Y CA 2.369 60.377 58.100 -0.153 0.000 1.135 160 Y CB -0.609 37.797 38.460 -0.090 0.000 0.980 160 Y HN 0.329 nan 8.280 nan 0.000 0.499 161 Q N 0.493 120.152 119.800 -0.235 0.000 2.500 161 Q HA -0.102 4.245 4.340 0.012 0.000 0.213 161 Q C 1.721 177.597 176.000 -0.206 0.000 0.974 161 Q CA 0.835 56.457 55.803 -0.303 0.000 0.918 161 Q CB -0.340 28.342 28.738 -0.094 0.000 0.980 161 Q HN 0.458 nan 8.270 nan 0.000 0.505 162 N N -1.025 117.596 118.700 -0.131 0.000 2.336 162 N HA -0.028 4.719 4.740 0.012 0.000 0.177 162 N C 1.457 176.885 175.510 -0.138 0.000 1.018 162 N CA 0.623 53.641 53.050 -0.053 0.000 0.878 162 N CB 0.025 38.589 38.487 0.129 0.000 0.997 162 N HN 0.357 nan 8.380 nan 0.000 0.433 163 M N 0.780 120.261 119.600 -0.198 0.000 2.067 163 M HA -0.129 4.358 4.480 0.012 0.000 0.260 163 M C 1.777 177.864 176.300 -0.355 0.000 1.069 163 M CA 1.466 56.605 55.300 -0.267 0.000 1.117 163 M CB -0.046 32.394 32.600 -0.267 0.000 1.334 163 M HN -0.159 nan 8.290 nan 0.000 0.407 164 V N 0.440 120.106 119.914 -0.414 0.000 2.295 164 V HA -0.256 3.871 4.120 0.012 0.000 0.246 164 V C 2.340 178.281 176.094 -0.256 0.000 1.049 164 V CA 2.394 64.485 62.300 -0.349 0.000 1.024 164 V CB -1.370 30.191 31.823 -0.437 0.000 0.648 164 V HN 0.589 nan 8.190 nan 0.000 0.447 165 T N -0.037 114.378 114.554 -0.232 0.000 2.708 165 T HA -0.171 4.187 4.350 0.012 0.000 0.266 165 T C 1.532 176.136 174.700 -0.161 0.000 1.037 165 T CA 1.861 63.863 62.100 -0.163 0.000 1.146 165 T CB -0.323 68.467 68.868 -0.129 0.000 0.865 165 T HN 0.487 nan 8.240 nan 0.000 0.435 166 D N 0.138 120.426 120.400 -0.187 0.000 2.327 166 D HA 0.137 4.784 4.640 0.012 0.000 0.205 166 D C 0.392 176.546 176.300 -0.243 0.000 0.989 166 D CA 0.100 53.988 54.000 -0.187 0.000 0.873 166 D CB -0.010 40.678 40.800 -0.186 0.000 0.955 166 D HN 0.258 nan 8.370 nan 0.000 0.515 167 R N 0.592 120.867 120.500 -0.374 0.000 3.184 167 R HA -0.131 4.217 4.340 0.012 0.000 0.257 167 R C -0.754 175.207 176.300 -0.565 0.000 0.999 167 R CA 0.567 56.265 56.100 -0.670 0.000 0.670 167 R CB -1.957 28.085 30.300 -0.431 0.000 1.197 167 R HN 0.299 nan 8.270 nan 0.000 0.419 168 E N 0.421 120.366 120.200 -0.423 0.000 2.356 168 E HA 0.281 4.638 4.350 0.012 0.000 0.275 168 E C -0.563 175.964 176.600 -0.121 0.000 0.904 168 E CA -1.181 55.112 56.400 -0.177 0.000 0.757 168 E CB 1.448 31.073 29.700 -0.124 0.000 1.232 168 E HN 0.078 nan 8.360 nan 0.000 0.442 169 N N 1.866 120.535 118.700 -0.052 0.000 2.453 169 N HA 0.064 4.812 4.740 0.012 0.000 0.253 169 N C -0.426 174.979 175.510 -0.175 0.000 1.252 169 N CA 0.238 53.154 53.050 -0.223 0.000 0.917 169 N CB 0.671 38.882 38.487 -0.460 0.000 1.117 169 N HN 0.324 nan 8.380 nan 0.000 0.442 170 Q N 0.192 119.862 119.800 -0.216 0.000 2.365 170 Q HA 0.427 4.775 4.340 0.012 0.000 0.269 170 Q C -0.704 175.288 176.000 -0.013 0.000 1.061 170 Q CA -0.693 55.096 55.803 -0.023 0.000 0.816 170 Q CB 2.032 30.808 28.738 0.062 0.000 1.325 170 Q HN 0.678 nan 8.270 nan 0.000 0.446 171 S N -0.517 115.223 115.700 0.067 0.000 2.561 171 S HA 0.486 4.963 4.470 0.012 0.000 0.303 171 S C -0.551 174.094 174.600 0.074 0.000 1.110 171 S CA -0.817 57.450 58.200 0.112 0.000 1.034 171 S CB 1.273 64.539 63.200 0.109 0.000 1.010 171 S HN 0.670 nan 8.310 nan 0.000 0.482 172 C N 5.436 124.793 119.300 0.094 0.000 2.281 172 C HA 0.737 5.204 4.460 0.012 0.000 0.323 172 C C -1.010 173.995 174.990 0.026 0.000 1.270 172 C CA -0.684 58.352 59.018 0.030 0.000 1.559 172 C CB -1.254 26.500 27.740 0.024 0.000 2.239 172 C HN 0.869 nan 8.230 nan 0.000 0.488 173 L N 8.491 129.674 121.223 -0.067 0.000 2.283 173 L HA 0.491 4.838 4.340 0.012 0.000 0.281 173 L C 0.171 177.091 176.870 0.084 0.000 1.033 173 L CA -0.022 54.833 54.840 0.025 0.000 0.848 173 L CB 0.585 42.671 42.059 0.045 0.000 1.226 173 L HN 0.507 nan 8.230 nan 0.000 0.429 174 I N 2.260 122.879 120.570 0.081 0.000 2.428 174 I HA 0.562 4.739 4.170 0.012 0.000 0.289 174 I C 0.836 176.992 176.117 0.065 0.000 1.019 174 I CA -0.015 61.329 61.300 0.073 0.000 1.351 174 I CB 1.269 39.303 38.000 0.057 0.000 1.412 174 I HN 0.692 nan 8.210 nan 0.000 0.513 175 T N 1.152 115.735 114.554 0.048 0.000 2.696 175 T HA 0.905 5.262 4.350 0.012 0.000 0.291 175 T C -0.208 174.496 174.700 0.007 0.000 1.095 175 T CA -0.364 61.755 62.100 0.032 0.000 1.026 175 T CB 2.091 70.980 68.868 0.035 0.000 1.390 175 T HN 1.273 nan 8.240 nan 0.000 0.513 176 G N -0.163 108.640 108.800 0.005 0.000 2.362 176 G HA2 0.239 4.206 3.960 0.012 0.000 0.656 176 G HA3 0.239 4.206 3.960 0.012 0.000 0.656 176 G C -0.873 174.034 174.900 0.011 0.000 1.376 176 G CA -0.769 44.328 45.100 -0.006 0.000 0.971 176 G HN 0.884 nan 8.290 nan 0.000 0.636 177 E N -0.520 119.685 120.200 0.008 0.000 2.451 177 E HA 0.314 4.671 4.350 0.012 0.000 0.256 177 E C 0.815 177.435 176.600 0.034 0.000 1.294 177 E CA 0.419 56.833 56.400 0.023 0.000 1.005 177 E CB 0.526 30.234 29.700 0.014 0.000 0.990 177 E HN 0.532 nan 8.360 nan 0.000 0.505 178 S N -0.983 114.748 115.700 0.053 0.000 2.548 178 S HA 0.340 4.817 4.470 0.012 0.000 0.277 178 S C 0.820 175.455 174.600 0.058 0.000 1.315 178 S CA 0.497 58.732 58.200 0.058 0.000 1.050 178 S CB 0.367 63.614 63.200 0.078 0.000 0.918 178 S HN 0.707 nan 8.310 nan 0.000 0.497 179 G N 2.968 111.801 108.800 0.055 0.000 2.162 179 G HA2 -0.245 3.722 3.960 0.012 0.000 0.260 179 G HA3 -0.245 3.722 3.960 0.012 0.000 0.260 179 G C 0.751 175.678 174.900 0.044 0.000 0.976 179 G CA 0.294 45.435 45.100 0.069 0.000 0.655 179 G HN 1.423 nan 8.290 nan 0.000 0.533 180 A N 0.150 122.980 122.820 0.017 0.000 2.238 180 A HA 0.573 4.900 4.320 0.012 0.000 0.208 180 A C 2.191 179.745 177.584 -0.049 0.000 1.177 180 A CA 1.528 53.556 52.037 -0.014 0.000 0.804 180 A CB -0.467 18.526 19.000 -0.012 0.000 0.823 180 A HN 2.465 nan 8.150 nan 0.000 0.482 181 G N 0.597 109.370 108.800 -0.044 0.000 2.401 181 G HA2 -0.251 3.716 3.960 0.012 0.000 0.283 181 G HA3 -0.251 3.716 3.960 0.012 0.000 0.283 181 G C 0.473 175.363 174.900 -0.017 0.000 1.117 181 G CA 0.473 45.542 45.100 -0.053 0.000 1.051 181 G HN 0.788 nan 8.290 nan 0.000 0.510 182 K N -1.523 118.874 120.400 -0.004 0.000 2.308 182 K HA 0.112 4.439 4.320 0.012 0.000 0.197 182 K C 2.025 178.629 176.600 0.007 0.000 1.049 182 K CA 1.028 57.321 56.287 0.009 0.000 0.991 182 K CB -0.011 32.496 32.500 0.011 0.000 0.836 182 K HN 0.201 nan 8.250 nan 0.000 0.500 183 T N 2.096 116.650 114.554 0.000 0.000 2.701 183 T HA -0.145 4.212 4.350 0.012 0.000 0.263 183 T C 1.721 176.423 174.700 0.003 0.000 1.040 183 T CA 1.499 63.600 62.100 0.002 0.000 1.147 183 T CB -0.175 68.700 68.868 0.012 0.000 0.865 183 T HN 0.354 nan 8.240 nan 0.000 0.426 184 E N 1.029 121.224 120.200 -0.009 0.000 2.058 184 E HA -0.191 4.166 4.350 0.012 0.000 0.194 184 E C 2.341 178.924 176.600 -0.029 0.000 0.997 184 E CA 0.930 57.310 56.400 -0.032 0.000 0.801 184 E CB -0.064 29.601 29.700 -0.059 0.000 0.746 184 E HN 0.325 nan 8.360 nan 0.000 0.450 185 N N -0.282 118.418 118.700 0.001 0.000 2.069 185 N HA -0.140 4.607 4.740 0.012 0.000 0.191 185 N C 1.862 177.393 175.510 0.035 0.000 1.031 185 N CA 1.902 54.973 53.050 0.035 0.000 0.852 185 N CB -0.368 38.154 38.487 0.058 0.000 1.018 185 N HN 0.188 nan 8.380 nan 0.000 0.423 186 T N 1.422 115.993 114.554 0.028 0.000 2.746 186 T HA -0.126 4.232 4.350 0.012 0.000 0.267 186 T C 1.934 176.652 174.700 0.030 0.000 1.039 186 T CA 1.010 63.129 62.100 0.032 0.000 1.142 186 T CB -0.023 68.862 68.868 0.028 0.000 0.866 186 T HN 0.284 nan 8.240 nan 0.000 0.444 187 K N 0.903 121.314 120.400 0.018 0.000 2.026 187 K HA -0.159 4.168 4.320 0.012 0.000 0.208 187 K C 2.339 178.955 176.600 0.027 0.000 1.048 187 K CA 1.424 57.720 56.287 0.015 0.000 0.929 187 K CB -0.070 32.431 32.500 0.001 0.000 0.713 187 K HN 0.110 nan 8.250 nan 0.000 0.439 188 K N 0.287 120.704 120.400 0.028 0.000 2.032 188 K HA -0.134 4.193 4.320 0.012 0.000 0.209 188 K C 1.958 178.647 176.600 0.149 0.000 1.048 188 K CA 1.398 57.743 56.287 0.097 0.000 0.927 188 K CB -0.336 32.224 32.500 0.100 0.000 0.712 188 K HN -0.034 nan 8.250 nan 0.000 0.441 189 V N 1.331 121.307 119.914 0.104 0.000 2.252 189 V HA -0.300 3.827 4.120 0.012 0.000 0.249 189 V C 2.144 178.288 176.094 0.082 0.000 1.056 189 V CA 1.649 63.992 62.300 0.072 0.000 1.022 189 V CB -0.495 31.351 31.823 0.038 0.000 0.641 189 V HN 0.265 nan 8.190 nan 0.000 0.445 190 I N -0.434 120.172 120.570 0.060 0.000 2.142 190 I HA -0.308 3.869 4.170 0.012 0.000 0.240 190 I C 2.472 178.610 176.117 0.035 0.000 1.078 190 I CA 2.369 63.695 61.300 0.043 0.000 1.343 190 I CB -1.128 36.883 38.000 0.018 0.000 1.046 190 I HN 0.436 nan 8.210 nan 0.000 0.405 191 M N 0.271 119.892 119.600 0.035 0.000 2.082 191 M HA -0.352 4.135 4.480 0.012 0.000 0.258 191 M C 2.640 178.932 176.300 -0.014 0.000 1.071 191 M CA 2.247 57.553 55.300 0.011 0.000 1.103 191 M CB -0.853 31.766 32.600 0.032 0.000 1.307 191 M HN 0.182 nan 8.290 nan 0.000 0.409 192 Y N 1.111 121.311 120.300 -0.167 0.000 2.181 192 Y HA -0.262 4.294 4.550 0.011 0.000 0.284 192 Y C 1.817 177.587 175.900 -0.218 0.000 1.179 192 Y CA 2.255 60.164 58.100 -0.317 0.000 1.179 192 Y CB -0.448 37.715 38.460 -0.495 0.000 0.973 192 Y HN 0.337 nan 8.280 nan 0.000 0.519 193 L N -0.882 120.409 121.223 0.114 0.000 2.156 193 L HA -0.129 4.218 4.340 0.012 0.000 0.208 193 L C 2.673 179.511 176.870 -0.053 0.000 1.095 193 L CA 0.950 55.828 54.840 0.062 0.000 0.770 193 L CB -0.705 41.454 42.059 0.166 0.000 0.914 193 L HN 0.301 nan 8.230 nan 0.000 0.439 194 A N -0.219 122.560 122.820 -0.069 0.000 1.970 194 A HA -0.172 4.155 4.320 0.012 0.000 0.216 194 A C 2.217 179.718 177.584 -0.139 0.000 1.170 194 A CA 1.232 53.210 52.037 -0.099 0.000 0.645 194 A CB -0.209 18.744 19.000 -0.079 0.000 0.816 194 A HN 0.216 nan 8.150 nan 0.000 0.447 195 K N -0.001 120.282 120.400 -0.195 0.000 2.487 195 K HA 0.047 4.374 4.320 0.012 0.000 0.192 195 K C 0.879 177.301 176.600 -0.296 0.000 1.027 195 K CA 1.104 57.249 56.287 -0.235 0.000 1.054 195 K CB 0.071 32.408 32.500 -0.272 0.000 0.824 195 K HN 0.408 nan 8.250 nan 0.000 0.510 196 V N -4.556 115.160 119.914 -0.331 0.000 3.398 196 V HA 0.544 4.671 4.120 0.012 0.000 0.298 196 V C 0.364 176.303 176.094 -0.258 0.000 1.496 196 V CA 0.000 62.107 62.300 -0.321 0.000 1.044 196 V CB 0.737 32.297 31.823 -0.439 0.000 0.880 196 V HN 0.049 nan 8.190 nan 0.000 0.443 197 A N -0.150 122.550 122.820 -0.200 0.000 2.897 197 A HA 0.516 4.843 4.320 0.012 0.000 0.230 197 A C 0.115 177.665 177.584 -0.057 0.000 0.896 197 A CA 0.148 52.123 52.037 -0.104 0.000 1.114 197 A CB -0.469 18.492 19.000 -0.065 0.000 1.230 197 A HN 0.474 nan 8.150 nan 0.000 0.481 198 C N -0.454 118.804 119.300 -0.071 0.000 2.705 198 C HA 0.509 4.977 4.460 0.012 0.000 0.382 198 C C 2.160 177.128 174.990 -0.036 0.000 1.322 198 C CA 0.651 59.631 59.018 -0.062 0.000 2.290 198 C CB 0.695 28.398 27.740 -0.062 0.000 2.650 198 C HN 0.920 nan 8.230 nan 0.000 0.695 199 A N 2.262 125.059 122.820 -0.038 0.000 1.975 199 A HA 0.492 4.819 4.320 0.012 0.000 0.215 199 A C 0.742 178.319 177.584 -0.012 0.000 1.170 199 A CA 1.927 53.951 52.037 -0.023 0.000 0.656 199 A CB -0.648 18.332 19.000 -0.032 0.000 0.821 199 A HN 2.087 nan 8.150 nan 0.000 0.449 213 G N -0.599 108.191 108.800 -0.016 0.000 2.756 213 G HA2 0.274 4.241 3.960 0.012 0.000 0.678 213 G HA3 0.274 4.241 3.960 0.012 0.000 0.678 213 G C 0.507 175.391 174.900 -0.027 0.000 1.349 213 G CA 0.376 45.464 45.100 -0.020 0.000 0.847 213 G HN 1.721 nan 8.290 nan 0.000 0.548 214 S N -0.564 115.118 115.700 -0.029 0.000 2.542 214 S HA 0.096 4.573 4.470 0.012 0.000 0.287 214 S C 1.771 176.345 174.600 -0.044 0.000 1.315 214 S CA 0.411 58.589 58.200 -0.037 0.000 1.037 214 S CB 0.948 64.125 63.200 -0.038 0.000 0.822 214 S HN 1.559 nan 8.310 nan 0.000 0.513 215 L N 2.807 123.998 121.223 -0.052 0.000 1.976 215 L HA -0.089 4.258 4.340 0.012 0.000 0.209 215 L C 2.806 179.637 176.870 -0.066 0.000 1.071 215 L CA 2.682 57.485 54.840 -0.062 0.000 0.746 215 L CB -1.509 40.506 42.059 -0.073 0.000 0.890 215 L HN 0.931 nan 8.230 nan 0.000 0.432 216 E N -0.883 119.274 120.200 -0.072 0.000 2.219 216 E HA -0.314 4.043 4.350 0.012 0.000 0.198 216 E C 1.814 178.380 176.600 -0.057 0.000 0.998 216 E CA 1.652 58.008 56.400 -0.073 0.000 0.818 216 E CB -1.189 28.465 29.700 -0.077 0.000 0.741 216 E HN 0.691 nan 8.360 nan 0.000 0.477 217 D N -0.123 120.248 120.400 -0.050 0.000 2.178 217 D HA -0.109 4.538 4.640 0.012 0.000 0.201 217 D C 2.118 178.392 176.300 -0.044 0.000 0.980 217 D CA 1.345 55.320 54.000 -0.041 0.000 0.842 217 D CB -0.148 40.631 40.800 -0.035 0.000 0.948 217 D HN 0.644 nan 8.370 nan 0.000 0.472 218 Q N -0.649 119.122 119.800 -0.049 0.000 2.331 218 Q HA 0.047 4.394 4.340 0.012 0.000 0.203 218 Q C 1.856 177.821 176.000 -0.058 0.000 0.944 218 Q CA 0.214 55.986 55.803 -0.052 0.000 0.892 218 Q CB 0.279 28.988 28.738 -0.049 0.000 0.983 218 Q HN 0.228 nan 8.270 nan 0.000 0.482 219 I N 0.328 120.862 120.570 -0.059 0.000 2.394 219 I HA -0.233 3.944 4.170 0.012 0.000 0.251 219 I C 1.794 177.884 176.117 -0.045 0.000 1.136 219 I CA 0.998 62.263 61.300 -0.057 0.000 1.425 219 I CB -0.070 37.893 38.000 -0.063 0.000 1.079 219 I HN 0.247 nan 8.210 nan 0.000 0.425 220 I N -0.236 120.309 120.570 -0.043 0.000 2.333 220 I HA -0.156 4.022 4.170 0.012 0.000 0.246 220 I C 2.119 178.213 176.117 -0.038 0.000 1.106 220 I CA 1.218 62.499 61.300 -0.033 0.000 1.411 220 I CB -0.931 37.051 38.000 -0.030 0.000 1.082 220 I HN 0.307 nan 8.210 nan 0.000 0.420 221 Q N 0.210 119.978 119.800 -0.053 0.000 2.451 221 Q HA 0.113 4.461 4.340 0.012 0.000 0.206 221 Q C 2.127 178.059 176.000 -0.113 0.000 0.947 221 Q CA 0.704 56.462 55.803 -0.074 0.000 0.937 221 Q CB 0.157 28.849 28.738 -0.077 0.000 1.025 221 Q HN 0.442 nan 8.270 nan 0.000 0.511 222 A N 0.753 123.516 122.820 -0.095 0.000 2.014 222 A HA -0.167 4.161 4.320 0.012 0.000 0.218 222 A C 1.879 179.415 177.584 -0.081 0.000 1.163 222 A CA 1.230 53.198 52.037 -0.116 0.000 0.652 222 A CB -0.398 18.553 19.000 -0.082 0.000 0.808 222 A HN 0.301 nan 8.150 nan 0.000 0.449 223 N N 0.313 118.995 118.700 -0.030 0.000 2.036 223 N HA -0.111 4.636 4.740 0.012 0.000 0.195 223 N C -0.995 174.541 175.510 0.043 0.000 1.037 223 N CA 2.121 55.188 53.050 0.029 0.000 0.855 223 N CB -0.763 37.743 38.487 0.032 0.000 1.033 223 N HN 0.273 nan 8.380 nan 0.000 0.423 224 P HA -0.187 nan 4.420 nan 0.000 0.212 224 P C 1.683 179.007 177.300 0.039 0.000 1.178 224 P CA 1.838 64.952 63.100 0.024 0.000 0.915 224 P CB -0.281 31.404 31.700 -0.026 0.000 0.788 225 V N -2.475 117.359 119.914 -0.135 0.000 2.324 225 V HA -0.254 3.874 4.120 0.012 0.000 0.250 225 V C 2.166 178.319 176.094 0.099 0.000 1.060 225 V CA 1.953 64.158 62.300 -0.157 0.000 1.042 225 V CB -1.917 29.423 31.823 -0.805 0.000 0.650 225 V HN -0.002 nan 8.190 nan 0.000 0.450 226 L N -0.174 121.066 121.223 0.029 0.000 2.141 226 L HA -0.082 4.265 4.340 0.012 0.000 0.209 226 L C 2.886 179.950 176.870 0.324 0.000 1.094 226 L CA 2.008 56.914 54.840 0.110 0.000 0.763 226 L CB -0.539 41.590 42.059 0.116 0.000 0.908 226 L HN 0.418 nan 8.230 nan 0.000 0.437 227 E N -0.052 120.328 120.200 0.299 0.000 2.072 227 E HA -0.218 4.139 4.350 0.012 0.000 0.191 227 E C 2.255 179.095 176.600 0.401 0.000 0.985 227 E CA 1.000 57.617 56.400 0.360 0.000 0.801 227 E CB -0.019 29.849 29.700 0.279 0.000 0.750 227 E HN 0.487 nan 8.360 nan 0.000 0.452 228 A N -0.190 122.843 122.820 0.356 0.000 2.019 228 A HA -0.171 4.157 4.320 0.012 0.000 0.219 228 A C 1.337 178.963 177.584 0.070 0.000 1.164 228 A CA 1.279 53.475 52.037 0.266 0.000 0.644 228 A CB -0.352 18.808 19.000 0.266 0.000 0.805 228 A HN 0.337 nan 8.150 nan 0.000 0.449 229 Y N -1.989 118.474 120.300 0.271 0.000 2.483 229 Y HA 0.300 4.856 4.550 0.010 0.000 0.258 229 Y C 2.350 178.319 175.900 0.116 0.000 1.083 229 Y CA 0.191 58.433 58.100 0.236 0.000 1.283 229 Y CB 0.071 38.633 38.460 0.170 0.000 1.178 229 Y HN 0.276 nan 8.280 nan 0.000 0.515 230 G N -0.887 108.169 108.800 0.426 0.000 2.939 230 G HA2 0.063 4.030 3.960 0.012 0.000 0.216 230 G HA3 0.063 4.030 3.960 0.012 0.000 0.216 230 G C 0.046 175.354 174.900 0.680 0.000 1.125 230 G CA -0.108 45.214 45.100 0.370 0.000 0.766 230 G HN 0.109 nan 8.290 nan 0.000 0.541 231 N N 0.268 119.297 118.700 0.549 0.000 2.477 231 N HA 0.785 5.532 4.740 0.012 0.000 0.284 231 N C -0.300 175.138 175.510 -0.120 0.000 1.182 231 N CA 0.148 53.378 53.050 0.301 0.000 0.949 231 N CB 2.001 40.697 38.487 0.348 0.000 1.204 231 N HN 0.279 nan 8.380 nan 0.000 0.526 232 A N -0.162 122.448 122.820 -0.351 0.000 2.549 232 A HA 0.467 4.794 4.320 0.012 0.000 0.291 232 A C -1.519 175.965 177.584 -0.166 0.000 1.034 232 A CA -0.919 50.765 52.037 -0.588 0.000 0.655 232 A CB 0.628 19.322 19.000 -0.510 0.000 1.299 232 A HN 0.673 nan 8.150 nan 0.000 0.427 233 K N 0.632 121.003 120.400 -0.047 0.000 2.258 233 K HA 0.613 4.940 4.320 0.012 0.000 0.284 233 K C -0.297 176.273 176.600 -0.049 0.000 1.051 233 K CA 0.546 56.847 56.287 0.024 0.000 0.923 233 K CB 1.157 33.678 32.500 0.036 0.000 1.046 233 K HN 0.885 nan 8.250 nan 0.000 0.474 234 T N 2.285 116.828 114.554 -0.019 0.000 2.900 234 T HA 0.166 4.524 4.350 0.012 0.000 0.295 234 T C 0.866 175.564 174.700 -0.003 0.000 1.044 234 T CA -0.575 61.507 62.100 -0.029 0.000 0.995 234 T CB 1.559 70.414 68.868 -0.022 0.000 1.072 234 T HN 0.730 nan 8.240 nan 0.000 0.473 235 T N 2.553 117.101 114.554 -0.010 0.000 2.774 235 T HA -0.222 4.136 4.350 0.012 0.000 0.264 235 T C 1.859 176.571 174.700 0.020 0.000 1.037 235 T CA 2.184 64.286 62.100 0.002 0.000 1.152 235 T CB -0.203 68.668 68.868 0.006 0.000 0.842 235 T HN 0.531 nan 8.240 nan 0.000 0.483 236 R N 1.063 121.585 120.500 0.036 0.000 2.064 236 R HA 0.185 4.532 4.340 0.012 0.000 0.221 236 R C 0.841 177.186 176.300 0.075 0.000 1.136 236 R CA 0.787 56.920 56.100 0.055 0.000 0.980 236 R CB 0.133 30.473 30.300 0.067 0.000 0.876 236 R HN 0.305 nan 8.270 nan 0.000 0.437 237 N N -0.934 117.809 118.700 0.071 0.000 2.321 237 N HA 0.104 4.851 4.740 0.012 0.000 0.290 237 N C -0.862 174.696 175.510 0.079 0.000 1.212 237 N CA -0.362 52.741 53.050 0.088 0.000 0.767 237 N CB 1.551 40.090 38.487 0.087 0.000 1.494 237 N HN -0.024 nan 8.380 nan 0.000 0.479 238 N N 0.221 118.976 118.700 0.092 0.000 2.353 238 N HA 0.069 4.816 4.740 0.012 0.000 0.185 238 N C -0.403 175.203 175.510 0.160 0.000 1.098 238 N CA 0.186 53.294 53.050 0.097 0.000 0.872 238 N CB 0.144 38.673 38.487 0.070 0.000 0.970 238 N HN 0.486 nan 8.380 nan 0.000 0.467 239 N N -0.349 118.454 118.700 0.170 0.000 2.595 239 N HA 0.044 4.791 4.740 0.012 0.000 0.291 239 N C -1.315 174.315 175.510 0.200 0.000 1.706 239 N CA -0.124 53.085 53.050 0.266 0.000 0.867 239 N CB 0.171 38.774 38.487 0.193 0.000 1.414 239 N HN -0.137 nan 8.380 nan 0.000 0.492 240 S N 0.093 115.879 115.700 0.144 0.000 2.546 240 S HA 0.106 4.583 4.470 0.012 0.000 0.290 240 S C 0.060 174.749 174.600 0.150 0.000 1.262 240 S CA 0.096 58.362 58.200 0.109 0.000 1.083 240 S CB -0.092 63.149 63.200 0.067 0.000 0.859 240 S HN 0.309 nan 8.310 nan 0.000 0.495 241 S N 5.272 121.052 115.700 0.134 0.000 2.455 241 S HA 0.256 4.733 4.470 0.012 0.000 0.278 241 S C 0.777 175.480 174.600 0.172 0.000 1.216 241 S CA -0.701 57.601 58.200 0.169 0.000 1.055 241 S CB 0.394 63.545 63.200 -0.080 0.000 0.939 241 S HN 0.587 nan 8.310 nan 0.000 0.494 242 R N 2.431 123.161 120.500 0.384 0.000 2.480 242 R HA 0.228 4.576 4.340 0.012 0.000 0.277 242 R C -0.484 176.042 176.300 0.376 0.000 1.008 242 R CA -0.074 56.209 56.100 0.306 0.000 1.090 242 R CB -0.960 29.514 30.300 0.289 0.000 1.234 242 R HN 0.605 nan 8.270 nan 0.000 0.549 243 F N -3.362 116.660 119.950 0.119 0.000 2.599 243 F HA 0.777 5.310 4.527 0.010 0.000 0.311 243 F C 0.289 176.196 175.800 0.179 0.000 1.076 243 F CA -2.326 55.742 58.000 0.112 0.000 0.937 243 F CB 0.492 39.536 39.000 0.073 0.000 1.282 243 F HN -0.102 nan 8.300 nan 0.000 0.460 244 G N 1.210 110.168 108.800 0.264 0.000 2.444 244 G HA2 0.491 4.458 3.960 0.012 0.000 0.268 244 G HA3 0.491 4.458 3.960 0.012 0.000 0.268 244 G C -1.536 173.578 174.900 0.358 0.000 1.203 244 G CA -0.794 44.462 45.100 0.260 0.000 0.835 244 G HN 0.999 nan 8.290 nan 0.000 0.543 245 K N 0.611 121.185 120.400 0.289 0.000 2.513 245 K HA 0.492 4.819 4.320 0.012 0.000 0.251 245 K C -2.123 174.743 176.600 0.442 0.000 0.939 245 K CA -0.875 55.600 56.287 0.314 0.000 0.793 245 K CB 1.757 34.287 32.500 0.050 0.000 1.241 245 K HN 0.273 nan 8.250 nan 0.000 0.431 246 F N 6.708 126.840 119.950 0.304 0.000 2.443 246 F HA 0.403 4.938 4.527 0.013 0.000 0.369 246 F C -1.233 174.647 175.800 0.134 0.000 1.090 246 F CA -1.388 56.760 58.000 0.246 0.000 1.129 246 F CB 0.505 39.728 39.000 0.371 0.000 1.367 246 F HN 0.527 nan 8.300 nan 0.000 0.465 247 I N 6.754 127.228 120.570 -0.161 0.000 2.312 247 I HA 0.410 4.587 4.170 0.012 0.000 0.291 247 I C -0.455 175.398 176.117 -0.441 0.000 1.031 247 I CA -0.302 60.848 61.300 -0.250 0.000 1.293 247 I CB 0.183 38.135 38.000 -0.080 0.000 1.403 247 I HN 0.497 nan 8.210 nan 0.000 0.484 248 R N 6.664 126.861 120.500 -0.505 0.000 2.428 248 R HA 0.594 4.941 4.340 0.012 0.000 0.294 248 R C -1.238 174.876 176.300 -0.310 0.000 1.000 248 R CA -0.855 54.953 56.100 -0.486 0.000 0.960 248 R CB 1.743 31.618 30.300 -0.708 0.000 1.076 248 R HN 0.500 nan 8.270 nan 0.000 0.475 249 I N 2.630 123.082 120.570 -0.197 0.000 2.436 249 I HA 0.230 4.407 4.170 0.012 0.000 0.289 249 I C -0.107 175.947 176.117 -0.104 0.000 1.010 249 I CA -0.458 60.764 61.300 -0.131 0.000 1.098 249 I CB 1.402 39.403 38.000 0.002 0.000 1.266 249 I HN 0.390 nan 8.210 nan 0.000 0.434 250 H N 5.622 124.673 119.070 -0.031 0.000 2.479 250 H HA 0.582 5.145 4.556 0.012 0.000 0.335 250 H C -1.120 174.133 175.328 -0.126 0.000 1.142 250 H CA -0.284 55.825 56.048 0.102 0.000 1.234 250 H CB 1.647 31.423 29.762 0.023 0.000 1.503 250 H HN 0.274 nan 8.280 nan 0.000 0.510 251 F N -0.737 119.363 119.950 0.251 0.000 2.603 251 F HA 0.443 4.977 4.527 0.011 0.000 0.317 251 F C 1.009 176.906 175.800 0.162 0.000 1.066 251 F CA -0.720 57.395 58.000 0.191 0.000 0.941 251 F CB 1.418 40.557 39.000 0.233 0.000 1.291 251 F HN 0.570 nan 8.300 nan 0.000 0.472 252 G N 0.487 109.467 108.800 0.300 0.000 2.510 252 G HA2 0.424 4.391 3.960 0.012 0.000 0.280 252 G HA3 0.424 4.391 3.960 0.012 0.000 0.280 252 G C -2.210 172.822 174.900 0.219 0.000 1.386 252 G CA -1.189 44.025 45.100 0.189 0.000 1.047 252 G HN 0.429 nan 8.290 nan 0.000 0.527 253 P HA 0.077 nan 4.420 nan 0.000 0.236 253 P C 1.349 178.736 177.300 0.145 0.000 1.177 253 P CA 1.175 64.367 63.100 0.153 0.000 0.773 253 P CB 0.344 32.102 31.700 0.097 0.000 0.878 254 T N -5.200 109.441 114.554 0.145 0.000 3.214 254 T HA 0.416 4.773 4.350 0.012 0.000 0.264 254 T C 1.396 176.209 174.700 0.189 0.000 1.012 254 T CA 0.131 62.310 62.100 0.132 0.000 0.901 254 T CB -0.824 68.104 68.868 0.100 0.000 1.070 254 T HN 0.165 nan 8.240 nan 0.000 0.561 255 G N 1.739 110.690 108.800 0.252 0.000 2.187 255 G HA2 -0.255 3.712 3.960 0.012 0.000 0.261 255 G HA3 -0.255 3.712 3.960 0.012 0.000 0.261 255 G C 0.080 175.299 174.900 0.531 0.000 1.000 255 G CA 0.169 45.499 45.100 0.384 0.000 0.718 255 G HN 0.575 nan 8.290 nan 0.000 0.519 256 K N -0.204 120.424 120.400 0.379 0.000 2.106 256 K HA 0.535 4.862 4.320 0.012 0.000 0.246 256 K C 1.046 177.746 176.600 0.167 0.000 0.987 256 K CA -1.213 55.238 56.287 0.274 0.000 0.904 256 K CB 0.937 33.505 32.500 0.114 0.000 1.071 256 K HN 0.213 nan 8.250 nan 0.000 0.453 257 I N 2.438 122.910 120.570 -0.163 0.000 2.671 257 I HA -0.149 4.028 4.170 0.012 0.000 0.285 257 I C 1.428 177.382 176.117 -0.272 0.000 1.148 257 I CA 0.169 61.125 61.300 -0.573 0.000 1.386 257 I CB 0.565 38.267 38.000 -0.497 0.000 1.406 257 I HN 0.669 nan 8.210 nan 0.000 0.540 258 A N 5.536 128.225 122.820 -0.218 0.000 1.874 258 A HA 0.428 4.756 4.320 0.012 0.000 0.214 258 A C 1.151 178.676 177.584 -0.099 0.000 1.189 258 A CA 1.237 53.226 52.037 -0.079 0.000 0.615 258 A CB -0.147 18.858 19.000 0.008 0.000 0.830 258 A HN 0.849 nan 8.150 nan 0.000 0.443 259 G N -3.227 105.511 108.800 -0.103 0.000 2.348 259 G HA2 0.639 4.606 3.960 0.012 0.000 0.296 259 G HA3 0.639 4.606 3.960 0.012 0.000 0.296 259 G C -0.863 174.024 174.900 -0.021 0.000 1.258 259 G CA 0.107 45.162 45.100 -0.076 0.000 0.868 259 G HN 1.296 nan 8.290 nan 0.000 0.488 260 A N -1.032 121.788 122.820 -0.000 0.000 2.535 260 A HA 0.989 5.316 4.320 0.012 0.000 0.296 260 A C -1.576 176.010 177.584 0.003 0.000 1.248 260 A CA 0.633 52.673 52.037 0.005 0.000 0.686 260 A CB 1.957 20.913 19.000 -0.074 0.000 1.315 260 A HN 2.191 nan 8.150 nan 0.000 0.460 261 D N -2.028 118.339 120.400 -0.055 0.000 2.926 261 D HA 0.478 5.125 4.640 0.012 0.000 0.272 261 D C -1.277 174.959 176.300 -0.107 0.000 1.172 261 D CA -0.298 53.655 54.000 -0.078 0.000 0.731 261 D CB -0.083 40.683 40.800 -0.056 0.000 1.282 261 D HN 0.653 nan 8.370 nan 0.000 0.430 262 I N -0.977 119.537 120.570 -0.093 0.000 3.145 262 I HA 0.618 4.795 4.170 0.012 0.000 0.313 262 I C -0.625 175.470 176.117 -0.037 0.000 1.122 262 I CA -0.986 60.277 61.300 -0.063 0.000 0.987 262 I CB 2.295 40.277 38.000 -0.029 0.000 1.236 262 I HN 0.286 nan 8.210 nan 0.000 0.453 263 E N 2.002 122.215 120.200 0.021 0.000 2.304 263 E HA 0.344 4.701 4.350 0.012 0.000 0.277 263 E C -1.266 175.277 176.600 -0.094 0.000 0.898 263 E CA -0.406 55.968 56.400 -0.044 0.000 0.764 263 E CB 2.887 32.632 29.700 0.074 0.000 1.216 263 E HN 0.778 nan 8.360 nan 0.000 0.419 264 T N -0.720 113.728 114.554 -0.177 0.000 2.923 264 T HA 0.721 5.078 4.350 0.012 0.000 0.281 264 T C -0.623 173.820 174.700 -0.428 0.000 0.995 264 T CA -0.445 61.684 62.100 0.048 0.000 0.985 264 T CB 0.917 70.032 68.868 0.412 0.000 1.114 264 T HN 0.348 nan 8.240 nan 0.000 0.548 265 Y N -0.523 119.989 120.300 0.353 0.000 2.442 265 Y HA 0.440 4.997 4.550 0.011 0.000 0.330 265 Y C -0.253 175.775 175.900 0.212 0.000 1.100 265 Y CA -1.723 56.551 58.100 0.290 0.000 1.034 265 Y CB 1.342 39.972 38.460 0.284 0.000 1.285 265 Y HN 0.827 nan 8.280 nan 0.000 0.440 266 L N 3.527 124.912 121.223 0.269 0.000 3.701 266 L HA -0.247 4.100 4.340 0.012 0.000 0.574 266 L C -0.562 176.365 176.870 0.096 0.000 1.049 266 L CA 0.217 55.096 54.840 0.064 0.000 0.951 266 L CB -0.792 41.196 42.059 -0.119 0.000 1.081 266 L HN 0.437 nan 8.230 nan 0.000 0.729 267 L N 2.713 123.970 121.223 0.057 0.000 2.371 267 L HA 0.244 4.592 4.340 0.012 0.000 0.272 267 L C 0.996 177.884 176.870 0.030 0.000 1.124 267 L CA 0.176 55.018 54.840 0.003 0.000 0.816 267 L CB 1.090 42.972 42.059 -0.294 0.000 1.129 267 L HN 0.292 nan 8.230 nan 0.000 0.448 268 E N 3.785 124.045 120.200 0.100 0.000 1.774 268 E HA -0.025 4.333 4.350 0.012 0.000 0.265 268 E C 0.518 177.183 176.600 0.108 0.000 1.207 268 E CA 0.070 56.529 56.400 0.098 0.000 1.054 268 E CB 0.241 30.006 29.700 0.108 0.000 1.074 268 E HN 0.598 nan 8.360 nan 0.000 0.433 269 K N 0.504 120.936 120.400 0.053 0.000 2.063 269 K HA -0.168 4.160 4.320 0.012 0.000 0.208 269 K C 2.063 178.670 176.600 0.012 0.000 1.048 269 K CA 1.483 57.792 56.287 0.036 0.000 0.928 269 K CB -0.074 32.449 32.500 0.039 0.000 0.713 269 K HN 0.334 nan 8.250 nan 0.000 0.442 270 S N 1.781 117.493 115.700 0.021 0.000 2.389 270 S HA -0.286 4.191 4.470 0.012 0.000 0.231 270 S C 1.980 176.574 174.600 -0.010 0.000 1.052 270 S CA 1.691 59.903 58.200 0.020 0.000 1.053 270 S CB -0.473 62.758 63.200 0.053 0.000 0.886 270 S HN 0.262 nan 8.310 nan 0.000 0.456 271 R N 1.188 121.661 120.500 -0.045 0.000 2.117 271 R HA -0.078 4.269 4.340 0.012 0.000 0.243 271 R C 2.055 178.229 176.300 -0.210 0.000 1.143 271 R CA 1.560 57.563 56.100 -0.163 0.000 0.968 271 R CB -1.054 29.047 30.300 -0.331 0.000 0.863 271 R HN 0.404 nan 8.270 nan 0.000 0.444 272 V N -0.343 119.458 119.914 -0.189 0.000 2.660 272 V HA -0.254 3.873 4.120 0.012 0.000 0.257 272 V C 1.696 177.471 176.094 -0.532 0.000 1.088 272 V CA 2.267 64.359 62.300 -0.348 0.000 1.106 272 V CB -0.733 30.913 31.823 -0.294 0.000 0.686 272 V HN 0.707 nan 8.190 nan 0.000 0.481 273 T N -5.384 108.918 114.554 -0.419 0.000 3.041 273 T HA 0.241 4.598 4.350 0.012 0.000 0.276 273 T C -0.164 174.492 174.700 -0.074 0.000 0.948 273 T CA -0.128 61.662 62.100 -0.516 0.000 0.885 273 T CB 0.123 68.621 68.868 -0.616 0.000 1.175 273 T HN 0.328 nan 8.240 nan 0.000 0.529 274 Y N 1.610 121.812 120.300 -0.165 0.000 2.545 274 Y HA 0.712 5.270 4.550 0.013 0.000 0.348 274 Y C -1.803 174.046 175.900 -0.085 0.000 1.002 274 Y CA -1.326 56.726 58.100 -0.080 0.000 1.039 274 Y CB 2.039 40.464 38.460 -0.058 0.000 1.271 274 Y HN 0.064 nan 8.280 nan 0.000 0.467 275 Q N 3.122 122.423 119.800 -0.831 0.000 2.327 275 Q HA 0.341 4.688 4.340 0.012 0.000 0.265 275 Q C -1.429 174.096 176.000 -0.792 0.000 0.993 275 Q CA -0.754 54.623 55.803 -0.711 0.000 0.885 275 Q CB 2.616 31.170 28.738 -0.306 0.000 1.379 275 Q HN 0.715 nan 8.270 nan 0.000 0.408 276 Q N 0.190 119.620 119.800 -0.616 0.000 2.318 276 Q HA 0.499 4.846 4.340 0.012 0.000 0.222 276 Q C -0.444 175.451 176.000 -0.175 0.000 1.003 276 Q CA -0.449 55.154 55.803 -0.332 0.000 0.936 276 Q CB 0.936 29.560 28.738 -0.189 0.000 1.204 276 Q HN 0.545 nan 8.270 nan 0.000 0.524 277 S N 0.819 116.465 115.700 -0.090 0.000 2.546 277 S HA 0.198 4.675 4.470 0.012 0.000 0.290 277 S C 0.226 174.789 174.600 -0.061 0.000 1.290 277 S CA 0.549 58.714 58.200 -0.058 0.000 1.069 277 S CB 0.369 63.553 63.200 -0.027 0.000 0.846 277 S HN 0.784 nan 8.310 nan 0.000 0.495 278 A N 2.494 125.278 122.820 -0.060 0.000 2.996 278 A HA -0.140 4.187 4.320 0.012 0.000 0.257 278 A C 0.100 177.638 177.584 -0.078 0.000 1.394 278 A CA 0.776 52.778 52.037 -0.058 0.000 0.820 278 A CB -1.855 17.121 19.000 -0.041 0.000 1.054 278 A HN 0.741 nan 8.150 nan 0.000 0.619 279 E N -0.886 119.252 120.200 -0.105 0.000 2.308 279 E HA 0.506 4.863 4.350 0.012 0.000 0.275 279 E C -0.114 176.397 176.600 -0.149 0.000 0.890 279 E CA -0.936 55.385 56.400 -0.132 0.000 0.754 279 E CB 1.738 31.345 29.700 -0.156 0.000 1.207 279 E HN 0.541 nan 8.360 nan 0.000 0.426 280 R N 1.112 121.509 120.500 -0.171 0.000 2.705 280 R HA 0.416 4.763 4.340 0.012 0.000 0.246 280 R C 0.319 176.564 176.300 -0.090 0.000 1.142 280 R CA -0.867 55.130 56.100 -0.171 0.000 1.114 280 R CB 0.768 30.786 30.300 -0.471 0.000 1.256 280 R HN 0.414 nan 8.270 nan 0.000 0.536 281 N N -0.004 118.813 118.700 0.195 0.000 2.538 281 N HA 0.103 4.851 4.740 0.012 0.000 0.292 281 N C -0.800 174.763 175.510 0.087 0.000 1.262 281 N CA -0.333 52.723 53.050 0.009 0.000 0.976 281 N CB 0.366 38.818 38.487 -0.058 0.000 1.161 281 N HN 0.220 nan 8.380 nan 0.000 0.598 282 Y N 1.709 122.135 120.300 0.210 0.000 2.810 282 Y HA -0.059 4.497 4.550 0.011 0.000 0.332 282 Y C 1.970 178.041 175.900 0.285 0.000 1.243 282 Y CA 0.284 58.474 58.100 0.150 0.000 1.537 282 Y CB 0.083 38.672 38.460 0.215 0.000 1.265 282 Y HN 0.500 nan 8.280 nan 0.000 0.572 283 H N 2.029 121.325 119.070 0.376 0.000 2.362 283 H HA -0.252 4.313 4.556 0.014 0.000 0.294 283 H C 2.239 177.703 175.328 0.225 0.000 1.113 283 H CA 2.115 58.348 56.048 0.309 0.000 1.253 283 H CB -0.303 29.576 29.762 0.196 0.000 1.363 283 H HN 0.760 nan 8.280 nan 0.000 0.494 284 I N 0.796 121.451 120.570 0.142 0.000 2.185 284 I HA -0.293 3.884 4.170 0.012 0.000 0.246 284 I C 2.051 178.016 176.117 -0.253 0.000 1.088 284 I CA 1.258 62.441 61.300 -0.195 0.000 1.347 284 I CB -0.684 36.828 38.000 -0.812 0.000 1.041 284 I HN -0.004 nan 8.210 nan 0.000 0.415 285 F N -0.825 119.058 119.950 -0.111 0.000 2.171 285 F HA -0.248 4.287 4.527 0.012 0.000 0.300 285 F C 2.099 177.623 175.800 -0.459 0.000 1.090 285 F CA 1.694 59.506 58.000 -0.313 0.000 1.293 285 F CB -0.809 37.943 39.000 -0.412 0.000 1.013 285 F HN 0.118 nan 8.300 nan 0.000 0.486 286 Y N -0.253 120.101 120.300 0.089 0.000 2.337 286 Y HA -0.121 4.436 4.550 0.011 0.000 0.293 286 Y C 2.346 178.171 175.900 -0.126 0.000 1.123 286 Y CA 0.696 58.802 58.100 0.010 0.000 1.201 286 Y CB -0.836 37.664 38.460 0.068 0.000 1.011 286 Y HN 0.074 nan 8.280 nan 0.000 0.545 287 Q N -0.173 119.572 119.800 -0.091 0.000 2.050 287 Q HA -0.170 4.178 4.340 0.012 0.000 0.202 287 Q C 2.068 177.450 176.000 -1.031 0.000 0.980 287 Q CA 1.272 56.837 55.803 -0.397 0.000 0.840 287 Q CB -0.244 28.313 28.738 -0.302 0.000 0.898 287 Q HN 0.377 nan 8.270 nan 0.000 0.424 288 I N 0.523 120.535 120.570 -0.929 0.000 2.300 288 I HA -0.250 3.927 4.170 0.012 0.000 0.252 288 I C 1.224 177.034 176.117 -0.512 0.000 1.119 288 I CA 1.074 61.867 61.300 -0.845 0.000 1.384 288 I CB -0.614 37.100 38.000 -0.478 0.000 1.062 288 I HN 0.292 nan 8.210 nan 0.000 0.426 289 C N 0.619 119.716 119.300 -0.339 0.000 2.422 289 C HA 0.227 4.694 4.460 0.012 0.000 0.301 289 C C 2.059 177.004 174.990 -0.075 0.000 1.444 289 C CA 0.111 59.033 59.018 -0.160 0.000 1.771 289 C CB -1.375 26.306 27.740 -0.099 0.000 2.834 289 C HN 0.540 nan 8.230 nan 0.000 0.545 290 S N -0.168 115.466 115.700 -0.109 0.000 2.497 290 S HA 0.044 4.522 4.470 0.012 0.000 0.218 290 S C 0.941 175.576 174.600 0.057 0.000 1.023 290 S CA 0.387 58.590 58.200 0.005 0.000 0.913 290 S CB -0.386 62.839 63.200 0.041 0.000 0.800 290 S HN 0.674 nan 8.310 nan 0.000 0.505 291 N N 0.705 119.440 118.700 0.059 0.000 2.754 291 N HA -0.205 4.542 4.740 0.012 0.000 0.248 291 N C 0.637 176.214 175.510 0.112 0.000 1.093 291 N CA 0.636 53.733 53.050 0.079 0.000 0.699 291 N CB -1.349 37.168 38.487 0.051 0.000 1.016 291 N HN 0.668 nan 8.380 nan 0.000 0.552 292 A N -0.378 122.562 122.820 0.200 0.000 2.132 292 A HA 0.257 4.584 4.320 0.012 0.000 0.213 292 A C 0.925 178.560 177.584 0.085 0.000 1.154 292 A CA 0.683 52.819 52.037 0.164 0.000 0.753 292 A CB 0.383 19.537 19.000 0.257 0.000 0.826 292 A HN 0.245 nan 8.150 nan 0.000 0.469 293 I N -0.362 120.274 120.570 0.111 0.000 2.862 293 I HA 0.281 4.458 4.170 0.012 0.000 0.285 293 I C -2.179 173.964 176.117 0.044 0.000 1.339 293 I CA -1.523 59.786 61.300 0.016 0.000 1.002 293 I CB 1.669 39.599 38.000 -0.117 0.000 1.618 293 I HN -0.088 nan 8.210 nan 0.000 0.593 294 P HA -0.266 nan 4.420 nan 0.000 0.218 294 P C 1.582 178.896 177.300 0.024 0.000 1.154 294 P CA 1.331 64.451 63.100 0.032 0.000 0.872 294 P CB 0.276 31.991 31.700 0.026 0.000 0.790 295 E N -0.236 119.975 120.200 0.019 0.000 2.233 295 E HA -0.208 4.149 4.350 0.012 0.000 0.199 295 E C 1.524 178.140 176.600 0.026 0.000 1.004 295 E CA 1.084 57.496 56.400 0.020 0.000 0.819 295 E CB -0.584 29.127 29.700 0.018 0.000 0.738 295 E HN 0.247 nan 8.360 nan 0.000 0.478 296 L N 0.293 121.527 121.223 0.019 0.000 2.416 296 L HA 0.048 4.396 4.340 0.012 0.000 0.216 296 L C 2.033 178.911 176.870 0.013 0.000 1.098 296 L CA 0.312 55.161 54.840 0.015 0.000 0.840 296 L CB -0.369 41.665 42.059 -0.041 0.000 0.981 296 L HN 0.160 nan 8.230 nan 0.000 0.462 297 N N 0.678 119.386 118.700 0.015 0.000 2.091 297 N HA -0.234 4.513 4.740 0.012 0.000 0.193 297 N C 0.920 176.445 175.510 0.025 0.000 1.021 297 N CA 1.722 54.782 53.050 0.015 0.000 0.862 297 N CB -0.095 38.404 38.487 0.021 0.000 1.018 297 N HN 0.370 nan 8.380 nan 0.000 0.429 298 D N 0.325 120.738 120.400 0.023 0.000 2.162 298 D HA -0.034 4.613 4.640 0.012 0.000 0.203 298 D C 2.056 178.377 176.300 0.033 0.000 0.967 298 D CA 0.414 54.422 54.000 0.013 0.000 0.840 298 D CB -0.282 40.521 40.800 0.006 0.000 0.972 298 D HN 0.039 nan 8.370 nan 0.000 0.482 299 V N 0.714 120.667 119.914 0.064 0.000 2.594 299 V HA -0.194 3.934 4.120 0.012 0.000 0.253 299 V C 2.079 178.257 176.094 0.140 0.000 1.069 299 V CA 1.371 63.739 62.300 0.114 0.000 1.082 299 V CB -0.451 31.442 31.823 0.116 0.000 0.680 299 V HN 0.262 nan 8.190 nan 0.000 0.469 300 M N -1.482 118.178 119.600 0.101 0.000 2.461 300 M HA 0.311 4.799 4.480 0.012 0.000 0.255 300 M C 0.613 177.002 176.300 0.148 0.000 1.137 300 M CA 0.303 55.675 55.300 0.120 0.000 1.086 300 M CB 0.459 33.092 32.600 0.056 0.000 1.356 300 M HN 0.095 nan 8.290 nan 0.000 0.487 301 L N 1.266 122.544 121.223 0.091 0.000 3.754 301 L HA -0.132 4.216 4.340 0.012 0.000 0.410 301 L C -0.267 176.735 176.870 0.220 0.000 1.230 301 L CA -0.344 54.550 54.840 0.089 0.000 0.901 301 L CB -2.175 39.884 42.059 0.001 0.000 1.982 301 L HN 0.335 nan 8.230 nan 0.000 0.822 302 V N -3.813 116.179 119.914 0.129 0.000 2.667 302 V HA 0.778 4.905 4.120 0.012 0.000 0.308 302 V C 0.623 176.787 176.094 0.117 0.000 1.048 302 V CA -0.230 62.135 62.300 0.109 0.000 0.928 302 V CB 1.941 33.730 31.823 -0.057 0.000 1.004 302 V HN 0.157 nan 8.190 nan 0.000 0.444 303 T N 5.722 120.398 114.554 0.203 0.000 2.801 303 T HA 0.405 4.762 4.350 0.012 0.000 0.306 303 T C -2.260 172.528 174.700 0.147 0.000 1.020 303 T CA -1.005 61.181 62.100 0.142 0.000 0.948 303 T CB 1.162 70.096 68.868 0.111 0.000 0.962 303 T HN 0.696 nan 8.240 nan 0.000 0.465 304 P HA -0.076 nan 4.420 nan 0.000 0.277 304 P C -0.375 176.968 177.300 0.073 0.000 1.436 304 P CA 0.879 64.014 63.100 0.059 0.000 0.772 304 P CB -0.162 31.562 31.700 0.040 0.000 1.637 305 D N -0.675 119.793 120.400 0.112 0.000 2.402 305 D HA 0.072 4.719 4.640 0.012 0.000 0.252 305 D C 0.906 177.299 176.300 0.155 0.000 1.294 305 D CA -0.248 53.807 54.000 0.092 0.000 0.948 305 D CB 1.211 42.033 40.800 0.036 0.000 1.202 305 D HN -0.065 nan 8.370 nan 0.000 0.561 306 S N 1.703 117.503 115.700 0.166 0.000 2.382 306 S HA -0.088 4.389 4.470 0.012 0.000 0.228 306 S C 2.143 176.851 174.600 0.180 0.000 1.027 306 S CA 0.933 59.263 58.200 0.216 0.000 0.991 306 S CB -0.381 62.932 63.200 0.188 0.000 0.823 306 S HN 0.511 nan 8.310 nan 0.000 0.469 307 G N 2.013 110.877 108.800 0.107 0.000 2.485 307 G HA2 -0.184 3.783 3.960 0.012 0.000 0.221 307 G HA3 -0.184 3.783 3.960 0.012 0.000 0.221 307 G C 1.300 176.187 174.900 -0.022 0.000 1.115 307 G CA 1.015 46.147 45.100 0.053 0.000 0.751 307 G HN 0.445 nan 8.290 nan 0.000 0.567 308 L N -0.246 120.914 121.223 -0.105 0.000 2.093 308 L HA 0.208 4.555 4.340 0.012 0.000 0.208 308 L C 0.572 177.181 176.870 -0.436 0.000 1.085 308 L CA 0.169 54.821 54.840 -0.314 0.000 0.755 308 L CB -0.830 40.937 42.059 -0.486 0.000 0.904 308 L HN 0.275 nan 8.230 nan 0.000 0.435 309 Y N -0.370 119.878 120.300 -0.086 0.000 2.335 309 Y HA 0.150 4.708 4.550 0.012 0.000 0.331 309 Y C 1.840 177.673 175.900 -0.113 0.000 1.094 309 Y CA 0.206 58.227 58.100 -0.132 0.000 1.253 309 Y CB 0.601 38.965 38.460 -0.161 0.000 1.203 309 Y HN -0.100 nan 8.280 nan 0.000 0.508 310 S N 2.532 118.203 115.700 -0.049 0.000 2.650 310 S HA 0.023 4.500 4.470 0.012 0.000 0.219 310 S C 0.765 175.428 174.600 0.105 0.000 0.960 310 S CA 0.317 58.496 58.200 -0.034 0.000 0.925 310 S CB -0.234 62.905 63.200 -0.102 0.000 0.775 310 S HN 0.530 nan 8.310 nan 0.000 0.525 311 F N 0.655 120.582 119.950 -0.039 0.000 2.678 311 F HA 0.420 4.954 4.527 0.011 0.000 0.305 311 F C 1.305 176.987 175.800 -0.197 0.000 1.090 311 F CA -0.826 57.098 58.000 -0.126 0.000 1.272 311 F CB -0.018 38.860 39.000 -0.203 0.000 1.060 311 F HN 0.235 nan 8.300 nan 0.000 0.576 312 I N -3.126 117.473 120.570 0.048 0.000 4.779 312 I HA 0.222 4.399 4.170 0.012 0.000 0.339 312 I C 1.069 177.261 176.117 0.124 0.000 1.293 312 I CA 0.078 61.386 61.300 0.013 0.000 1.324 312 I CB -0.151 37.714 38.000 -0.226 0.000 1.424 312 I HN -0.117 nan 8.210 nan 0.000 0.489 313 N N 1.690 120.447 118.700 0.095 0.000 2.501 313 N HA -0.039 4.708 4.740 0.012 0.000 0.195 313 N C 1.145 176.689 175.510 0.057 0.000 1.213 313 N CA 0.360 53.460 53.050 0.083 0.000 0.864 313 N CB -0.216 38.298 38.487 0.045 0.000 0.999 313 N HN 0.593 nan 8.380 nan 0.000 0.454 314 Q N 0.277 120.106 119.800 0.049 0.000 1.911 314 Q HA 0.104 4.451 4.340 0.012 0.000 0.202 314 Q C 1.431 177.422 176.000 -0.014 0.000 0.976 314 Q CA 1.266 57.080 55.803 0.018 0.000 0.845 314 Q CB -0.930 27.803 28.738 -0.009 0.000 0.903 314 Q HN 0.390 nan 8.270 nan 0.000 0.437 315 G N 0.972 109.740 108.800 -0.055 0.000 2.608 315 G HA2 0.135 4.102 3.960 0.012 0.000 0.212 315 G HA3 0.135 4.102 3.960 0.012 0.000 0.212 315 G C 0.444 175.320 174.900 -0.041 0.000 1.572 315 G CA 0.153 45.211 45.100 -0.071 0.000 1.064 315 G HN 0.615 nan 8.290 nan 0.000 0.556 316 C N -1.629 117.632 119.300 -0.064 0.000 2.403 316 C HA 0.715 5.182 4.460 0.012 0.000 0.361 316 C C 1.519 176.451 174.990 -0.096 0.000 1.274 316 C CA -0.736 58.245 59.018 -0.061 0.000 2.433 316 C CB 0.134 27.834 27.740 -0.067 0.000 2.323 316 C HN 0.488 nan 8.230 nan 0.000 0.614 317 L N 0.782 121.957 121.223 -0.080 0.000 2.642 317 L HA 0.213 4.560 4.340 0.012 0.000 0.233 317 L C 1.435 178.182 176.870 -0.204 0.000 1.077 317 L CA 0.567 55.340 54.840 -0.112 0.000 0.879 317 L CB -0.217 41.889 42.059 0.078 0.000 1.151 317 L HN 0.988 nan 8.230 nan 0.000 0.495 318 T N -2.114 112.365 114.554 -0.125 0.000 2.938 318 T HA 0.734 5.091 4.350 0.012 0.000 0.285 318 T C -0.395 174.243 174.700 -0.104 0.000 1.028 318 T CA -0.725 61.315 62.100 -0.099 0.000 1.005 318 T CB 2.473 71.317 68.868 -0.041 0.000 1.157 318 T HN -0.233 nan 8.240 nan 0.000 0.550 319 V N 1.299 121.168 119.914 -0.076 0.000 2.733 319 V HA 0.277 4.404 4.120 0.012 0.000 0.306 319 V C 0.338 176.410 176.094 -0.036 0.000 1.084 319 V CA -0.832 61.433 62.300 -0.058 0.000 0.905 319 V CB 1.927 33.711 31.823 -0.065 0.000 1.010 319 V HN 0.948 nan 8.190 nan 0.000 0.424 320 D N 3.132 123.518 120.400 -0.023 0.000 2.133 320 D HA -0.172 4.475 4.640 0.012 0.000 0.195 320 D C 1.423 177.717 176.300 -0.010 0.000 0.997 320 D CA 2.548 56.541 54.000 -0.013 0.000 0.840 320 D CB 0.103 40.899 40.800 -0.006 0.000 0.947 320 D HN 0.900 nan 8.370 nan 0.000 0.452 321 N N -0.649 118.045 118.700 -0.010 0.000 2.203 321 N HA 0.065 4.812 4.740 0.012 0.000 0.207 321 N C -0.126 175.368 175.510 -0.026 0.000 1.130 321 N CA -0.106 52.938 53.050 -0.009 0.000 0.861 321 N CB 0.681 39.172 38.487 0.006 0.000 1.005 321 N HN -0.010 nan 8.380 nan 0.000 0.507 322 I N 1.187 121.728 120.570 -0.048 0.000 2.339 322 I HA 0.163 4.341 4.170 0.012 0.000 0.290 322 I C -0.490 175.597 176.117 -0.049 0.000 0.994 322 I CA -0.490 60.760 61.300 -0.083 0.000 1.191 322 I CB 1.387 39.284 38.000 -0.171 0.000 1.343 322 I HN 0.151 nan 8.210 nan 0.000 0.458 323 D N 6.407 126.791 120.400 -0.026 0.000 2.524 323 D HA 0.073 4.720 4.640 0.012 0.000 0.222 323 D C 0.875 177.192 176.300 0.029 0.000 1.142 323 D CA -0.183 53.821 54.000 0.007 0.000 0.973 323 D CB 0.532 41.343 40.800 0.019 0.000 1.025 323 D HN 0.377 nan 8.370 nan 0.000 0.519 324 D N 1.505 121.922 120.400 0.029 0.000 2.369 324 D HA -0.148 4.499 4.640 0.012 0.000 0.213 324 D C 1.661 178.031 176.300 0.117 0.000 0.982 324 D CA 0.805 54.846 54.000 0.068 0.000 0.931 324 D CB 0.855 41.705 40.800 0.083 0.000 0.889 324 D HN 0.314 nan 8.370 nan 0.000 0.487 325 V N 0.332 120.315 119.914 0.115 0.000 2.581 325 V HA -0.068 4.059 4.120 0.012 0.000 0.240 325 V C 2.358 178.550 176.094 0.163 0.000 1.054 325 V CA 0.643 63.039 62.300 0.160 0.000 1.076 325 V CB 0.165 32.053 31.823 0.109 0.000 0.748 325 V HN -0.052 nan 8.190 nan 0.000 0.474 326 E N 0.517 120.779 120.200 0.103 0.000 2.007 326 E HA -0.227 4.130 4.350 0.012 0.000 0.194 326 E C 2.247 178.907 176.600 0.099 0.000 0.999 326 E CA 1.302 57.748 56.400 0.077 0.000 0.811 326 E CB -0.282 29.447 29.700 0.049 0.000 0.762 326 E HN 0.381 nan 8.360 nan 0.000 0.450 327 E N 0.131 120.394 120.200 0.105 0.000 2.187 327 E HA -0.191 4.167 4.350 0.012 0.000 0.199 327 E C 1.793 178.526 176.600 0.222 0.000 1.004 327 E CA 0.541 57.016 56.400 0.124 0.000 0.813 327 E CB -0.476 29.277 29.700 0.089 0.000 0.736 327 E HN 0.200 nan 8.360 nan 0.000 0.468 328 F N 0.965 120.955 119.950 0.068 0.000 2.187 328 F HA -0.002 4.532 4.527 0.012 0.000 0.295 328 F C 1.839 177.699 175.800 0.099 0.000 1.091 328 F CA 1.246 59.299 58.000 0.089 0.000 1.308 328 F CB -0.165 38.863 39.000 0.048 0.000 1.030 328 F HN -0.075 nan 8.300 nan 0.000 0.487 329 K N -0.122 120.247 120.400 -0.053 0.000 2.026 329 K HA -0.165 4.162 4.320 0.012 0.000 0.208 329 K C 1.954 178.514 176.600 -0.066 0.000 1.048 329 K CA 1.617 57.812 56.287 -0.155 0.000 0.929 329 K CB -0.500 31.966 32.500 -0.057 0.000 0.713 329 K HN 0.213 nan 8.250 nan 0.000 0.439 330 L N 1.025 122.254 121.223 0.011 0.000 2.046 330 L HA -0.214 4.133 4.340 0.012 0.000 0.208 330 L C 2.642 179.539 176.870 0.046 0.000 1.077 330 L CA 1.368 56.223 54.840 0.025 0.000 0.747 330 L CB -0.928 41.153 42.059 0.037 0.000 0.896 330 L HN 0.351 nan 8.230 nan 0.000 0.432 331 C N -0.166 119.200 119.300 0.111 0.000 2.413 331 C HA -0.229 4.238 4.460 0.012 0.000 0.276 331 C C 2.733 177.878 174.990 0.258 0.000 1.248 331 C CA 1.360 60.493 59.018 0.191 0.000 1.742 331 C CB -0.802 27.174 27.740 0.394 0.000 2.017 331 C HN 0.665 nan 8.230 nan 0.000 0.481 332 D N 0.161 120.664 120.400 0.171 0.000 2.092 332 D HA -0.197 4.450 4.640 0.012 0.000 0.193 332 D C 2.121 178.501 176.300 0.134 0.000 0.994 332 D CA 2.101 56.201 54.000 0.166 0.000 0.828 332 D CB -0.435 40.321 40.800 -0.073 0.000 0.963 332 D HN 0.695 nan 8.370 nan 0.000 0.450 333 E N 0.001 120.231 120.200 0.050 0.000 2.077 333 E HA -0.093 4.265 4.350 0.012 0.000 0.193 333 E C 1.909 178.514 176.600 0.009 0.000 0.989 333 E CA 1.541 57.957 56.400 0.027 0.000 0.800 333 E CB -0.609 29.094 29.700 0.004 0.000 0.746 333 E HN 0.262 nan 8.360 nan 0.000 0.452 334 A N -0.123 122.677 122.820 -0.032 0.000 1.927 334 A HA -0.208 4.119 4.320 0.012 0.000 0.220 334 A C 2.152 179.601 177.584 -0.226 0.000 1.185 334 A CA 1.779 53.729 52.037 -0.145 0.000 0.639 334 A CB -1.136 17.726 19.000 -0.230 0.000 0.820 334 A HN 0.423 nan 8.150 nan 0.000 0.451 335 F N -0.023 119.795 119.950 -0.220 0.000 2.146 335 F HA -0.087 4.448 4.527 0.014 0.000 0.298 335 F C 2.899 178.623 175.800 -0.127 0.000 1.096 335 F CA 1.708 59.474 58.000 -0.391 0.000 1.275 335 F CB -0.752 37.945 39.000 -0.505 0.000 1.008 335 F HN 0.425 nan 8.300 nan 0.000 0.480 336 D N 0.188 120.659 120.400 0.119 0.000 2.178 336 D HA -0.099 4.548 4.640 0.012 0.000 0.202 336 D C 1.885 178.227 176.300 0.069 0.000 0.974 336 D CA 1.417 55.474 54.000 0.095 0.000 0.841 336 D CB -0.836 40.001 40.800 0.061 0.000 0.953 336 D HN 0.353 nan 8.370 nan 0.000 0.478 337 I N -0.644 119.945 120.570 0.032 0.000 3.251 337 I HA 0.071 4.248 4.170 0.012 0.000 0.277 337 I C 1.923 178.053 176.117 0.023 0.000 1.268 337 I CA 0.368 61.676 61.300 0.013 0.000 1.449 337 I CB 0.246 38.237 38.000 -0.016 0.000 1.083 337 I HN 0.186 nan 8.210 nan 0.000 0.464 338 L N 0.056 121.316 121.223 0.061 0.000 2.585 338 L HA 0.265 4.612 4.340 0.012 0.000 0.226 338 L C 1.679 178.684 176.870 0.225 0.000 1.113 338 L CA 0.595 55.517 54.840 0.136 0.000 0.876 338 L CB 0.118 42.286 42.059 0.182 0.000 1.072 338 L HN 0.427 nan 8.230 nan 0.000 0.468 339 G N -0.431 108.496 108.800 0.211 0.000 2.195 339 G HA2 -0.296 3.672 3.960 0.012 0.000 0.246 339 G HA3 -0.296 3.672 3.960 0.012 0.000 0.246 339 G C 0.221 175.252 174.900 0.219 0.000 0.984 339 G CA -0.459 44.734 45.100 0.155 0.000 0.633 339 G HN 0.098 nan 8.290 nan 0.000 0.525 340 F N 3.313 123.291 119.950 0.048 0.000 2.623 340 F HA 0.299 4.834 4.527 0.013 0.000 0.386 340 F C 1.840 177.657 175.800 0.028 0.000 1.068 340 F CA 0.786 58.825 58.000 0.064 0.000 1.265 340 F CB -0.061 39.034 39.000 0.159 0.000 1.026 340 F HN 0.121 nan 8.300 nan 0.000 0.568 341 T N 2.835 117.486 114.554 0.161 0.000 2.734 341 T HA -0.009 4.348 4.350 0.012 0.000 0.314 341 T C 1.470 176.217 174.700 0.077 0.000 1.057 341 T CA -0.686 61.467 62.100 0.088 0.000 1.047 341 T CB 0.719 69.615 68.868 0.046 0.000 0.991 341 T HN 0.667 nan 8.240 nan 0.000 0.540 342 K N 0.157 120.583 120.400 0.042 0.000 2.103 342 K HA -0.117 4.210 4.320 0.012 0.000 0.204 342 K C 1.971 178.572 176.600 0.001 0.000 1.052 342 K CA 1.136 57.435 56.287 0.019 0.000 0.945 342 K CB -0.062 32.455 32.500 0.029 0.000 0.722 342 K HN 0.485 nan 8.250 nan 0.000 0.443 343 E N 0.991 121.197 120.200 0.010 0.000 2.118 343 E HA -0.178 4.180 4.350 0.012 0.000 0.195 343 E C 1.722 178.309 176.600 -0.022 0.000 0.992 343 E CA 1.439 57.837 56.400 -0.003 0.000 0.804 343 E CB 0.033 29.733 29.700 -0.000 0.000 0.741 343 E HN 0.396 nan 8.360 nan 0.000 0.458 344 E N 0.392 120.597 120.200 0.009 0.000 2.016 344 E HA -0.131 4.226 4.350 0.012 0.000 0.190 344 E C 2.040 178.603 176.600 -0.061 0.000 0.985 344 E CA 0.713 57.136 56.400 0.038 0.000 0.802 344 E CB -0.148 29.667 29.700 0.191 0.000 0.762 344 E HN 0.063 nan 8.360 nan 0.000 0.448 345 K N 1.130 121.456 120.400 -0.123 0.000 2.089 345 K HA -0.269 4.059 4.320 0.012 0.000 0.210 345 K C 2.023 178.190 176.600 -0.722 0.000 1.048 345 K CA 1.671 57.595 56.287 -0.605 0.000 0.926 345 K CB -0.003 32.151 32.500 -0.578 0.000 0.714 345 K HN 0.179 nan 8.250 nan 0.000 0.448 346 Q N -0.331 119.301 119.800 -0.280 0.000 2.123 346 Q HA -0.053 4.295 4.340 0.012 0.000 0.199 346 Q C 2.251 178.226 176.000 -0.041 0.000 0.966 346 Q CA 1.114 56.892 55.803 -0.041 0.000 0.845 346 Q CB 0.073 28.857 28.738 0.076 0.000 0.907 346 Q HN 0.270 nan 8.270 nan 0.000 0.439 347 S N 0.735 116.368 115.700 -0.113 0.000 2.365 347 S HA -0.160 4.317 4.470 0.012 0.000 0.225 347 S C 1.969 176.480 174.600 -0.148 0.000 1.039 347 S CA 1.116 59.240 58.200 -0.127 0.000 1.033 347 S CB -0.098 62.982 63.200 -0.200 0.000 0.887 347 S HN 0.296 nan 8.310 nan 0.000 0.447 348 M N 0.445 119.898 119.600 -0.246 0.000 2.065 348 M HA -0.094 4.393 4.480 0.012 0.000 0.259 348 M C 1.936 178.223 176.300 -0.022 0.000 1.071 348 M CA 1.599 56.759 55.300 -0.233 0.000 1.109 348 M CB -1.596 30.762 32.600 -0.404 0.000 1.313 348 M HN 0.260 nan 8.290 nan 0.000 0.408 349 F N 1.020 120.927 119.950 -0.071 0.000 2.115 349 F HA -0.252 4.281 4.527 0.010 0.000 0.300 349 F C 2.472 178.279 175.800 0.012 0.000 1.092 349 F CA 1.376 59.371 58.000 -0.009 0.000 1.245 349 F CB -1.243 37.761 39.000 0.008 0.000 0.995 349 F HN 0.235 nan 8.300 nan 0.000 0.481 350 K N -0.701 119.828 120.400 0.215 0.000 2.001 350 K HA -0.167 4.160 4.320 0.012 0.000 0.208 350 K C 2.204 178.887 176.600 0.140 0.000 1.048 350 K CA 1.751 58.134 56.287 0.160 0.000 0.932 350 K CB -0.764 31.807 32.500 0.117 0.000 0.715 350 K HN 0.247 nan 8.250 nan 0.000 0.437 351 C N 0.805 120.160 119.300 0.093 0.000 2.413 351 C HA -0.112 4.355 4.460 0.012 0.000 0.277 351 C C 2.805 177.888 174.990 0.155 0.000 1.265 351 C CA 1.165 60.245 59.018 0.103 0.000 1.752 351 C CB -0.950 26.808 27.740 0.031 0.000 1.998 351 C HN 0.550 nan 8.230 nan 0.000 0.489 352 T N 1.244 115.881 114.554 0.137 0.000 2.701 352 T HA -0.099 4.258 4.350 0.012 0.000 0.263 352 T C 2.203 176.984 174.700 0.135 0.000 1.040 352 T CA 1.653 63.822 62.100 0.116 0.000 1.147 352 T CB -0.527 68.351 68.868 0.016 0.000 0.865 352 T HN 0.635 nan 8.240 nan 0.000 0.426 353 A N 2.195 125.069 122.820 0.090 0.000 1.908 353 A HA -0.149 4.179 4.320 0.012 0.000 0.218 353 A C 2.578 180.218 177.584 0.093 0.000 1.181 353 A CA 2.366 54.420 52.037 0.029 0.000 0.627 353 A CB -1.105 17.929 19.000 0.056 0.000 0.818 353 A HN 0.621 nan 8.150 nan 0.000 0.445 354 S N -0.013 115.824 115.700 0.229 0.000 2.440 354 S HA -0.082 4.395 4.470 0.012 0.000 0.238 354 S C 1.563 176.325 174.600 0.271 0.000 1.010 354 S CA 1.385 59.774 58.200 0.315 0.000 0.972 354 S CB -0.746 62.606 63.200 0.253 0.000 0.774 354 S HN 0.517 nan 8.310 nan 0.000 0.501 355 I N 0.611 121.352 120.570 0.286 0.000 3.564 355 I HA 0.084 4.261 4.170 0.012 0.000 0.294 355 I C 1.662 177.968 176.117 0.315 0.000 1.289 355 I CA 0.508 62.038 61.300 0.384 0.000 1.325 355 I CB -0.243 38.076 38.000 0.531 0.000 1.039 355 I HN 0.331 nan 8.210 nan 0.000 0.474 356 L N -0.442 120.812 121.223 0.051 0.000 2.354 356 L HA -0.005 4.343 4.340 0.012 0.000 0.212 356 L C 2.432 179.196 176.870 -0.177 0.000 1.091 356 L CA 0.408 55.130 54.840 -0.197 0.000 0.828 356 L CB -0.448 41.190 42.059 -0.702 0.000 0.973 356 L HN 0.317 nan 8.230 nan 0.000 0.461 357 H N -0.310 118.799 119.070 0.065 0.000 2.415 357 H HA 0.044 4.607 4.556 0.012 0.000 0.297 357 H C 2.290 177.601 175.328 -0.029 0.000 1.048 357 H CA 1.021 57.103 56.048 0.057 0.000 1.365 357 H CB 0.033 29.839 29.762 0.073 0.000 1.421 357 H HN 0.293 nan 8.280 nan 0.000 0.533 358 M N 0.046 119.715 119.600 0.115 0.000 2.195 358 M HA -0.092 4.395 4.480 0.012 0.000 0.260 358 M C 2.357 178.538 176.300 -0.198 0.000 1.066 358 M CA 1.625 56.979 55.300 0.090 0.000 1.089 358 M CB -0.475 32.297 32.600 0.287 0.000 1.377 358 M HN 0.212 nan 8.290 nan 0.000 0.411 359 G N -0.514 107.836 108.800 -0.750 0.000 2.813 359 G HA2 -0.068 3.899 3.960 0.012 0.000 0.209 359 G HA3 -0.068 3.899 3.960 0.012 0.000 0.209 359 G C 1.080 175.634 174.900 -0.577 0.000 1.150 359 G CA 0.261 44.486 45.100 -1.458 0.000 0.785 359 G HN 0.328 nan 8.290 nan 0.000 0.535 360 E N -0.177 119.843 120.200 -0.299 0.000 2.685 360 E HA 0.221 4.578 4.350 0.012 0.000 0.208 360 E C -0.085 176.422 176.600 -0.156 0.000 0.996 360 E CA -0.274 56.019 56.400 -0.179 0.000 1.054 360 E CB 0.535 30.178 29.700 -0.096 0.000 1.075 360 E HN 0.367 nan 8.360 nan 0.000 0.460 361 M N 1.556 121.041 119.600 -0.192 0.000 2.055 361 M HA 0.251 4.738 4.480 0.012 0.000 0.347 361 M C -0.728 175.268 176.300 -0.507 0.000 1.123 361 M CA -0.472 54.657 55.300 -0.285 0.000 1.035 361 M CB 0.585 33.090 32.600 -0.157 0.000 1.484 361 M HN -0.329 nan 8.290 nan 0.000 0.428 362 K N 3.575 123.629 120.400 -0.577 0.000 2.166 362 K HA 0.749 5.076 4.320 0.012 0.000 0.245 362 K C -1.644 174.458 176.600 -0.829 0.000 0.967 362 K CA 0.025 55.985 56.287 -0.545 0.000 0.863 362 K CB 1.393 33.749 32.500 -0.240 0.000 1.107 362 K HN 0.482 nan 8.250 nan 0.000 0.436 363 F N 0.038 119.991 119.950 0.005 0.000 2.593 363 F HA 0.655 5.189 4.527 0.012 0.000 0.320 363 F C 0.450 176.253 175.800 0.006 0.000 1.060 363 F CA -0.987 57.017 58.000 0.007 0.000 0.940 363 F CB 1.495 40.502 39.000 0.013 0.000 1.268 363 F HN 0.316 nan 8.300 nan 0.000 0.475 364 K N -0.298 120.230 120.400 0.213 0.000 2.156 364 K HA 0.752 5.080 4.320 0.012 0.000 0.250 364 K C -0.147 176.515 176.600 0.104 0.000 0.955 364 K CA 0.062 56.418 56.287 0.115 0.000 0.855 364 K CB 1.043 33.589 32.500 0.076 0.000 1.101 364 K HN 0.844 nan 8.250 nan 0.000 0.434 365 Q N -0.414 119.426 119.800 0.067 0.000 2.422 365 Q HA 0.303 4.651 4.340 0.012 0.000 0.255 365 Q C 1.726 177.744 176.000 0.031 0.000 0.864 365 Q CA 1.083 56.914 55.803 0.046 0.000 0.968 365 Q CB 0.108 28.870 28.738 0.041 0.000 1.130 365 Q HN 1.228 nan 8.270 nan 0.000 0.556 366 R N 1.965 122.482 120.500 0.029 0.000 4.048 366 R HA 0.533 4.880 4.340 0.012 0.000 0.290 366 R C -1.362 174.949 176.300 0.018 0.000 1.519 366 R CA -0.457 55.655 56.100 0.020 0.000 1.446 366 R CB -1.081 29.230 30.300 0.017 0.000 1.455 366 R HN 0.496 nan 8.270 nan 0.000 0.706 367 P HA -0.204 nan 4.420 nan 0.000 0.202 367 P C 1.135 178.443 177.300 0.012 0.000 1.149 367 P CA 2.078 65.188 63.100 0.016 0.000 0.931 367 P CB 0.254 31.964 31.700 0.017 0.000 0.762 368 R N -2.388 118.118 120.500 0.010 0.000 2.688 368 R HA 0.181 4.528 4.340 0.012 0.000 0.236 368 R C 0.335 176.639 176.300 0.007 0.000 0.981 368 R CA -0.116 55.989 56.100 0.008 0.000 1.139 368 R CB -0.047 30.258 30.300 0.007 0.000 1.677 368 R HN 0.265 nan 8.270 nan 0.000 0.554 369 E N 2.182 122.387 120.200 0.008 0.000 2.283 369 E HA 0.207 4.564 4.350 0.012 0.000 0.267 369 E C -0.807 175.798 176.600 0.007 0.000 1.045 369 E CA -0.799 55.605 56.400 0.006 0.000 0.884 369 E CB 1.054 30.758 29.700 0.006 0.000 1.106 369 E HN 0.059 nan 8.360 nan 0.000 0.408 370 E N 1.933 122.136 120.200 0.006 0.000 2.989 370 E HA 0.094 4.451 4.350 0.012 0.000 0.224 370 E C -0.528 176.074 176.600 0.004 0.000 1.175 370 E CA -0.200 56.204 56.400 0.006 0.000 1.300 370 E CB 0.512 30.216 29.700 0.006 0.000 1.422 370 E HN 0.547 nan 8.360 nan 0.000 0.439 371 Q N -0.290 119.511 119.800 0.002 0.000 2.495 371 Q HA 0.689 5.036 4.340 0.012 0.000 0.287 371 Q C -1.462 174.536 176.000 -0.003 0.000 1.078 371 Q CA -0.807 54.992 55.803 -0.005 0.000 0.793 371 Q CB 1.720 30.453 28.738 -0.010 0.000 1.459 371 Q HN 0.137 nan 8.270 nan 0.000 0.422 372 A N 0.607 123.415 122.820 -0.018 0.000 2.286 372 A HA 0.783 5.111 4.320 0.012 0.000 0.286 372 A C -0.585 176.995 177.584 -0.006 0.000 1.097 372 A CA 0.410 52.440 52.037 -0.012 0.000 0.821 372 A CB 0.570 19.540 19.000 -0.049 0.000 1.076 372 A HN 0.997 nan 8.150 nan 0.000 0.490 373 E N 0.005 120.238 120.200 0.055 0.000 2.335 373 E HA 0.558 4.915 4.350 0.012 0.000 0.280 373 E C -0.285 176.455 176.600 0.233 0.000 0.918 373 E CA -0.090 56.367 56.400 0.095 0.000 0.765 373 E CB 0.927 30.667 29.700 0.065 0.000 1.218 373 E HN 1.757 nan 8.360 nan 0.000 0.425 374 S N 0.518 116.420 115.700 0.336 0.000 2.561 374 S HA 0.087 4.564 4.470 0.012 0.000 0.294 374 S C -0.003 174.679 174.600 0.136 0.000 1.294 374 S CA 0.875 59.320 58.200 0.410 0.000 1.055 374 S CB 0.411 63.792 63.200 0.300 0.000 0.819 374 S HN 0.685 nan 8.310 nan 0.000 0.503 375 D N 2.392 122.791 120.400 -0.002 0.000 2.930 375 D HA 0.532 5.179 4.640 0.012 0.000 0.304 375 D C 0.087 176.340 176.300 -0.079 0.000 1.298 375 D CA 0.868 54.846 54.000 -0.037 0.000 0.949 375 D CB -0.344 40.427 40.800 -0.049 0.000 1.013 375 D HN 0.982 nan 8.370 nan 0.000 0.510 376 G N -0.174 108.596 108.800 -0.050 0.000 2.525 376 G HA2 -0.072 3.895 3.960 0.012 0.000 0.685 376 G HA3 -0.072 3.895 3.960 0.012 0.000 0.685 376 G C 0.456 175.324 174.900 -0.053 0.000 1.285 376 G CA -0.147 44.920 45.100 -0.055 0.000 0.849 376 G HN 0.085 nan 8.290 nan 0.000 0.653 377 T N 0.639 115.172 114.554 -0.035 0.000 2.964 377 T HA 0.432 4.789 4.350 0.012 0.000 0.249 377 T C 2.701 177.381 174.700 -0.034 0.000 1.000 377 T CA 1.501 63.588 62.100 -0.021 0.000 0.992 377 T CB 0.212 69.080 68.868 -0.000 0.000 1.087 377 T HN 1.826 nan 8.240 nan 0.000 0.489 378 A N 2.406 125.200 122.820 -0.044 0.000 1.969 378 A HA -0.305 4.022 4.320 0.012 0.000 0.223 378 A C 2.218 179.761 177.584 -0.069 0.000 1.218 378 A CA 1.944 53.948 52.037 -0.055 0.000 0.667 378 A CB -0.418 18.550 19.000 -0.054 0.000 0.826 378 A HN 0.386 nan 8.150 nan 0.000 0.472 379 E N -1.075 119.089 120.200 -0.060 0.000 2.075 379 E HA 0.105 4.462 4.350 0.012 0.000 0.190 379 E C 2.459 179.040 176.600 -0.033 0.000 0.969 379 E CA 1.007 57.379 56.400 -0.046 0.000 0.815 379 E CB -0.872 28.822 29.700 -0.011 0.000 0.776 379 E HN 0.575 nan 8.360 nan 0.000 0.457 380 A N 1.946 124.755 122.820 -0.019 0.000 1.948 380 A HA -0.267 4.060 4.320 0.012 0.000 0.220 380 A C 2.025 179.624 177.584 0.025 0.000 1.177 380 A CA 1.903 53.954 52.037 0.024 0.000 0.636 380 A CB -0.539 18.484 19.000 0.039 0.000 0.815 380 A HN 0.262 nan 8.150 nan 0.000 0.449 381 E N -0.137 120.063 120.200 -0.000 0.000 2.047 381 E HA -0.177 4.180 4.350 0.012 0.000 0.191 381 E C 2.015 178.625 176.600 0.018 0.000 0.987 381 E CA 1.295 57.704 56.400 0.015 0.000 0.799 381 E CB -0.228 29.469 29.700 -0.005 0.000 0.752 381 E HN 0.611 nan 8.360 nan 0.000 0.449 382 K N 0.753 121.099 120.400 -0.090 0.000 2.152 382 K HA -0.138 4.190 4.320 0.012 0.000 0.206 382 K C 2.212 178.778 176.600 -0.057 0.000 1.048 382 K CA 1.120 57.287 56.287 -0.199 0.000 0.933 382 K CB -0.147 31.988 32.500 -0.609 0.000 0.721 382 K HN -0.009 nan 8.250 nan 0.000 0.447 383 V N 1.416 121.331 119.914 0.002 0.000 2.244 383 V HA -0.227 3.900 4.120 0.012 0.000 0.244 383 V C 2.386 178.543 176.094 0.106 0.000 1.042 383 V CA 2.031 64.395 62.300 0.106 0.000 1.006 383 V CB -0.679 31.218 31.823 0.124 0.000 0.641 383 V HN 0.362 nan 8.190 nan 0.000 0.446 384 A N -0.808 122.062 122.820 0.083 0.000 2.024 384 A HA -0.257 4.070 4.320 0.012 0.000 0.220 384 A C 2.077 179.702 177.584 0.068 0.000 1.164 384 A CA 2.101 54.173 52.037 0.060 0.000 0.643 384 A CB -0.699 18.331 19.000 0.050 0.000 0.806 384 A HN 0.557 nan 8.150 nan 0.000 0.451 385 F N 0.323 120.261 119.950 -0.019 0.000 2.060 385 F HA -0.079 4.455 4.527 0.011 0.000 0.295 385 F C 1.886 177.685 175.800 -0.002 0.000 1.120 385 F CA 1.853 59.843 58.000 -0.018 0.000 1.205 385 F CB -0.309 38.670 39.000 -0.035 0.000 0.986 385 F HN 0.125 nan 8.300 nan 0.000 0.470 386 L N -0.695 120.684 121.223 0.259 0.000 2.191 386 L HA -0.253 4.094 4.340 0.012 0.000 0.212 386 L C 2.358 179.249 176.870 0.035 0.000 1.103 386 L CA 0.829 55.768 54.840 0.165 0.000 0.769 386 L CB -0.806 41.394 42.059 0.235 0.000 0.908 386 L HN 0.319 nan 8.230 nan 0.000 0.438 387 C N -0.305 119.012 119.300 0.029 0.000 2.495 387 C HA 0.262 4.729 4.460 0.012 0.000 0.275 387 C C 1.709 176.666 174.990 -0.055 0.000 1.392 387 C CA 0.465 59.486 59.018 0.004 0.000 1.766 387 C CB -0.934 26.816 27.740 0.017 0.000 1.933 387 C HN 0.804 nan 8.230 nan 0.000 0.519 388 G N 1.347 110.082 108.800 -0.108 0.000 2.165 388 G HA2 -0.187 3.780 3.960 0.012 0.000 0.226 388 G HA3 -0.187 3.780 3.960 0.012 0.000 0.226 388 G C -0.137 174.706 174.900 -0.096 0.000 1.035 388 G CA 0.497 45.514 45.100 -0.139 0.000 0.744 388 G HN 0.681 nan 8.290 nan 0.000 0.501 389 I N -4.478 116.049 120.570 -0.072 0.000 3.690 389 I HA 0.725 4.902 4.170 0.012 0.000 0.280 389 I C -0.289 175.812 176.117 -0.027 0.000 1.145 389 I CA -1.639 59.631 61.300 -0.050 0.000 1.144 389 I CB 1.637 39.608 38.000 -0.048 0.000 1.378 389 I HN -0.043 nan 8.210 nan 0.000 0.478 390 N N 0.880 119.570 118.700 -0.016 0.000 2.511 390 N HA 0.385 5.132 4.740 0.012 0.000 0.249 390 N C 0.548 176.065 175.510 0.012 0.000 0.971 390 N CA 0.056 53.106 53.050 0.000 0.000 0.938 390 N CB 1.898 40.382 38.487 -0.004 0.000 1.131 390 N HN 0.823 nan 8.380 nan 0.000 0.505 391 A N 3.180 126.015 122.820 0.026 0.000 1.997 391 A HA -0.146 4.181 4.320 0.012 0.000 0.221 391 A C 1.850 179.455 177.584 0.034 0.000 1.172 391 A CA 2.183 54.241 52.037 0.035 0.000 0.645 391 A CB -0.748 18.275 19.000 0.038 0.000 0.813 391 A HN 0.694 nan 8.150 nan 0.000 0.454 392 G N -0.407 108.407 108.800 0.024 0.000 2.464 392 G HA2 -0.214 3.753 3.960 0.012 0.000 0.214 392 G HA3 -0.214 3.753 3.960 0.012 0.000 0.214 392 G C 1.166 176.076 174.900 0.017 0.000 1.218 392 G CA 1.141 46.255 45.100 0.022 0.000 0.794 392 G HN 0.440 nan 8.290 nan 0.000 0.542 393 D N -0.061 120.344 120.400 0.008 0.000 2.116 393 D HA -0.129 4.518 4.640 0.012 0.000 0.193 393 D C 2.344 178.644 176.300 0.001 0.000 0.998 393 D CA 0.764 54.764 54.000 -0.000 0.000 0.836 393 D CB -0.393 40.401 40.800 -0.010 0.000 0.951 393 D HN 0.169 nan 8.370 nan 0.000 0.449 394 L N 0.504 121.730 121.223 0.006 0.000 1.951 394 L HA -0.191 4.157 4.340 0.012 0.000 0.222 394 L C 2.210 179.098 176.870 0.031 0.000 1.078 394 L CA 1.733 56.581 54.840 0.013 0.000 0.778 394 L CB -0.943 41.133 42.059 0.028 0.000 0.893 394 L HN 0.121 nan 8.230 nan 0.000 0.436 395 L N -0.581 120.676 121.223 0.057 0.000 2.079 395 L HA -0.270 4.077 4.340 0.012 0.000 0.210 395 L C 2.693 179.583 176.870 0.033 0.000 1.081 395 L CA 1.831 56.719 54.840 0.080 0.000 0.752 395 L CB -0.567 41.564 42.059 0.121 0.000 0.896 395 L HN 0.458 nan 8.230 nan 0.000 0.433 396 K N 0.363 120.776 120.400 0.022 0.000 2.020 396 K HA -0.252 4.075 4.320 0.012 0.000 0.212 396 K C 2.014 178.608 176.600 -0.010 0.000 1.050 396 K CA 1.804 58.094 56.287 0.005 0.000 0.929 396 K CB -0.173 32.329 32.500 0.004 0.000 0.714 396 K HN 0.286 nan 8.250 nan 0.000 0.443 397 A N 0.576 123.390 122.820 -0.011 0.000 2.014 397 A HA -0.055 4.272 4.320 0.012 0.000 0.218 397 A C 1.973 179.537 177.584 -0.033 0.000 1.163 397 A CA 0.949 52.974 52.037 -0.021 0.000 0.652 397 A CB -0.352 18.635 19.000 -0.022 0.000 0.808 397 A HN 0.365 nan 8.150 nan 0.000 0.449 398 L N -0.872 120.330 121.223 -0.034 0.000 2.478 398 L HA 0.083 4.430 4.340 0.012 0.000 0.223 398 L C 1.953 178.735 176.870 -0.147 0.000 1.140 398 L CA 0.830 55.628 54.840 -0.070 0.000 0.842 398 L CB -0.011 42.026 42.059 -0.037 0.000 0.953 398 L HN 0.380 nan 8.230 nan 0.000 0.452 399 L N -1.350 119.804 121.223 -0.115 0.000 2.488 399 L HA 0.112 4.459 4.340 0.012 0.000 0.186 399 L C 0.663 177.485 176.870 -0.081 0.000 1.124 399 L CA 0.185 54.945 54.840 -0.132 0.000 0.838 399 L CB -0.038 41.964 42.059 -0.096 0.000 1.107 399 L HN -0.033 nan 8.230 nan 0.000 0.494 400 K N 0.883 121.253 120.400 -0.050 0.000 2.655 400 K HA 0.375 4.703 4.320 0.012 0.000 0.213 400 K C -2.534 174.050 176.600 -0.027 0.000 1.126 400 K CA -1.658 54.608 56.287 -0.034 0.000 1.076 400 K CB 0.487 32.973 32.500 -0.022 0.000 1.644 400 K HN -0.035 nan 8.250 nan 0.000 0.523 401 P HA -0.125 nan 4.420 nan 0.000 0.270 401 P C -0.163 177.128 177.300 -0.015 0.000 1.216 401 P CA 0.561 63.648 63.100 -0.022 0.000 0.788 401 P CB 0.363 32.050 31.700 -0.023 0.000 0.883 402 K N 1.867 122.259 120.400 -0.012 0.000 2.423 402 K HA 0.380 4.708 4.320 0.012 0.000 0.234 402 K C -0.164 176.433 176.600 -0.006 0.000 1.051 402 K CA -0.550 55.732 56.287 -0.008 0.000 1.021 402 K CB -0.210 32.285 32.500 -0.008 0.000 1.474 402 K HN 0.304 nan 8.250 nan 0.000 0.474 403 V N 1.162 121.073 119.914 -0.005 0.000 3.237 403 V HA 0.679 4.806 4.120 0.012 0.000 0.305 403 V C 0.706 176.799 176.094 -0.001 0.000 1.096 403 V CA 0.414 62.713 62.300 -0.002 0.000 1.130 403 V CB 1.501 33.324 31.823 -0.001 0.000 1.048 403 V HN 0.977 nan 8.190 nan 0.000 0.484 404 K N 1.456 121.857 120.400 0.000 0.000 2.498 404 K HA 0.910 5.237 4.320 0.012 0.000 0.254 404 K C -1.051 175.550 176.600 0.001 0.000 0.933 404 K CA 0.087 56.374 56.287 0.001 0.000 0.806 404 K CB 1.483 33.984 32.500 0.001 0.000 1.301 404 K HN 1.882 nan 8.250 nan 0.000 0.432 405 V N 0.340 120.255 119.914 0.001 0.000 2.775 405 V HA 0.760 4.887 4.120 0.012 0.000 0.295 405 V C 0.806 176.901 176.094 0.002 0.000 1.226 405 V CA 0.626 62.927 62.300 0.002 0.000 0.934 405 V CB 1.002 32.827 31.823 0.003 0.000 1.056 405 V HN 2.462 nan 8.190 nan 0.000 0.436 406 G N 3.307 112.108 108.800 0.002 0.000 2.561 406 G HA2 0.159 4.126 3.960 0.012 0.000 0.289 406 G HA3 0.159 4.126 3.960 0.012 0.000 0.289 406 G C 0.885 175.786 174.900 0.002 0.000 1.169 406 G CA 1.223 46.325 45.100 0.003 0.000 0.980 406 G HN 2.668 nan 8.290 nan 0.000 0.550 407 T N 0.382 114.938 114.554 0.003 0.000 3.223 407 T HA 0.769 5.126 4.350 0.012 0.000 0.259 407 T C 0.606 175.307 174.700 0.002 0.000 1.015 407 T CA 2.217 64.319 62.100 0.002 0.000 0.908 407 T CB -0.435 68.434 68.868 0.002 0.000 1.054 407 T HN 1.868 nan 8.240 nan 0.000 0.567 408 E N 0.797 120.998 120.200 0.002 0.000 2.293 408 E HA 0.810 5.167 4.350 0.012 0.000 0.270 408 E C -1.074 175.527 176.600 0.001 0.000 0.879 408 E CA -0.811 55.590 56.400 0.002 0.000 0.756 408 E CB 1.140 30.841 29.700 0.003 0.000 1.208 408 E HN 0.437 nan 8.360 nan 0.000 0.428 409 M N 2.439 122.039 119.600 0.001 0.000 2.046 409 M HA 0.416 4.903 4.480 0.012 0.000 0.309 409 M C -0.750 175.550 176.300 -0.001 0.000 0.935 409 M CA -0.879 54.421 55.300 -0.000 0.000 0.915 409 M CB 1.516 34.116 32.600 -0.001 0.000 1.474 409 M HN 0.399 nan 8.290 nan 0.000 0.415 410 V N 1.456 121.370 119.914 -0.001 0.000 3.036 410 V HA 0.330 4.457 4.120 0.012 0.000 0.308 410 V C 0.577 176.669 176.094 -0.003 0.000 1.070 410 V CA -0.348 61.951 62.300 -0.001 0.000 1.056 410 V CB 1.772 33.595 31.823 0.000 0.000 1.084 410 V HN 0.710 nan 8.190 nan 0.000 0.471 411 T N 3.636 118.187 114.554 -0.004 0.000 2.832 411 T HA 0.266 4.623 4.350 0.012 0.000 0.313 411 T C -0.123 174.573 174.700 -0.008 0.000 1.035 411 T CA -0.221 61.874 62.100 -0.007 0.000 0.950 411 T CB -0.008 68.856 68.868 -0.007 0.000 0.984 411 T HN 0.635 nan 8.240 nan 0.000 0.486 412 K N 2.553 122.948 120.400 -0.009 0.000 2.143 412 K HA 0.626 4.953 4.320 0.012 0.000 0.272 412 K C 0.381 176.972 176.600 -0.016 0.000 1.001 412 K CA -0.592 55.689 56.287 -0.010 0.000 0.915 412 K CB 0.834 33.329 32.500 -0.008 0.000 1.047 412 K HN 0.624 nan 8.250 nan 0.000 0.458 413 G N 2.571 111.361 108.800 -0.016 0.000 2.389 413 G HA2 0.363 4.331 3.960 0.012 0.000 0.328 413 G HA3 0.363 4.331 3.960 0.012 0.000 0.328 413 G C -1.365 173.520 174.900 -0.026 0.000 1.133 413 G CA -0.566 44.521 45.100 -0.023 0.000 0.891 413 G HN 0.688 nan 8.290 nan 0.000 0.485 414 Q N 0.113 119.888 119.800 -0.041 0.000 2.389 414 Q HA 0.436 4.783 4.340 0.012 0.000 0.277 414 Q C -0.801 175.166 176.000 -0.056 0.000 1.082 414 Q CA -1.174 54.603 55.803 -0.044 0.000 0.810 414 Q CB 1.771 30.480 28.738 -0.049 0.000 1.374 414 Q HN 0.589 nan 8.270 nan 0.000 0.422 415 N N 1.093 119.769 118.700 -0.041 0.000 2.374 415 N HA 0.216 4.963 4.740 0.012 0.000 0.284 415 N C 0.832 176.314 175.510 -0.047 0.000 1.280 415 N CA -0.641 52.389 53.050 -0.034 0.000 0.963 415 N CB 0.330 38.810 38.487 -0.012 0.000 1.141 415 N HN 0.537 nan 8.380 nan 0.000 0.565 416 M N -0.192 119.398 119.600 -0.016 0.000 2.255 416 M HA -0.215 4.272 4.480 0.012 0.000 0.260 416 M C 1.495 177.800 176.300 0.008 0.000 1.069 416 M CA 1.761 57.067 55.300 0.010 0.000 1.089 416 M CB -1.477 31.156 32.600 0.054 0.000 1.269 416 M HN 0.552 nan 8.290 nan 0.000 0.434 417 N N 0.557 119.269 118.700 0.019 0.000 2.058 417 N HA -0.241 4.506 4.740 0.012 0.000 0.200 417 N C 1.683 177.199 175.510 0.011 0.000 1.033 417 N CA 1.997 55.061 53.050 0.022 0.000 0.880 417 N CB -0.530 37.968 38.487 0.018 0.000 1.069 417 N HN 0.483 nan 8.380 nan 0.000 0.461 418 Q N -0.043 119.752 119.800 -0.007 0.000 2.135 418 Q HA -0.108 4.239 4.340 0.012 0.000 0.204 418 Q C 2.215 178.195 176.000 -0.033 0.000 0.981 418 Q CA 1.277 57.071 55.803 -0.015 0.000 0.856 418 Q CB -0.034 28.690 28.738 -0.024 0.000 0.902 418 Q HN 0.222 nan 8.270 nan 0.000 0.425 419 V N 0.565 120.432 119.914 -0.078 0.000 2.255 419 V HA -0.202 3.925 4.120 0.012 0.000 0.243 419 V C 2.375 178.429 176.094 -0.065 0.000 1.038 419 V CA 1.615 63.820 62.300 -0.158 0.000 1.008 419 V CB -0.669 30.922 31.823 -0.387 0.000 0.645 419 V HN 0.423 nan 8.190 nan 0.000 0.449 420 V N -0.486 119.443 119.914 0.026 0.000 2.469 420 V HA -0.261 3.866 4.120 0.012 0.000 0.251 420 V C 1.951 178.132 176.094 0.144 0.000 1.064 420 V CA 2.753 65.156 62.300 0.172 0.000 1.066 420 V CB -1.164 30.776 31.823 0.195 0.000 0.667 420 V HN 0.542 nan 8.190 nan 0.000 0.461 421 N N 0.544 119.294 118.700 0.084 0.000 2.331 421 N HA -0.039 4.708 4.740 0.012 0.000 0.180 421 N C 1.948 177.500 175.510 0.070 0.000 1.019 421 N CA 1.388 54.482 53.050 0.073 0.000 0.881 421 N CB -0.201 38.312 38.487 0.044 0.000 0.972 421 N HN 0.578 nan 8.380 nan 0.000 0.435 422 S N -0.530 115.202 115.700 0.053 0.000 2.345 422 S HA -0.081 4.397 4.470 0.012 0.000 0.220 422 S C 2.059 176.715 174.600 0.094 0.000 1.031 422 S CA 0.830 59.060 58.200 0.049 0.000 0.996 422 S CB -0.384 62.820 63.200 0.008 0.000 0.882 422 S HN 0.070 nan 8.310 nan 0.000 0.445 423 V N 1.900 121.895 119.914 0.135 0.000 2.218 423 V HA -0.282 3.845 4.120 0.012 0.000 0.251 423 V C 2.686 178.920 176.094 0.233 0.000 1.057 423 V CA 2.237 64.666 62.300 0.215 0.000 1.022 423 V CB -1.659 30.348 31.823 0.306 0.000 0.645 423 V HN 0.611 nan 8.190 nan 0.000 0.451 424 G N -0.818 108.126 108.800 0.240 0.000 2.503 424 G HA2 -0.281 3.686 3.960 0.012 0.000 0.221 424 G HA3 -0.281 3.686 3.960 0.012 0.000 0.221 424 G C 1.698 176.626 174.900 0.047 0.000 1.131 424 G CA 1.378 46.550 45.100 0.119 0.000 0.756 424 G HN 0.719 nan 8.290 nan 0.000 0.572 425 A N 0.313 123.180 122.820 0.078 0.000 1.898 425 A HA 0.114 4.441 4.320 0.012 0.000 0.216 425 A C 2.343 179.993 177.584 0.110 0.000 1.181 425 A CA 1.631 53.712 52.037 0.072 0.000 0.620 425 A CB -0.382 18.658 19.000 0.067 0.000 0.819 425 A HN 0.525 nan 8.150 nan 0.000 0.442 426 L N -0.280 121.024 121.223 0.135 0.000 2.083 426 L HA -0.041 4.306 4.340 0.012 0.000 0.209 426 L C 2.558 179.558 176.870 0.217 0.000 1.083 426 L CA 2.117 57.062 54.840 0.174 0.000 0.752 426 L CB -0.687 41.460 42.059 0.148 0.000 0.899 426 L HN 0.330 nan 8.230 nan 0.000 0.433 427 A N -0.212 122.725 122.820 0.195 0.000 1.841 427 A HA -0.214 4.114 4.320 0.012 0.000 0.214 427 A C 2.286 179.978 177.584 0.179 0.000 1.195 427 A CA 1.986 54.146 52.037 0.205 0.000 0.611 427 A CB -0.584 18.485 19.000 0.116 0.000 0.835 427 A HN 0.489 nan 8.150 nan 0.000 0.443 428 K N -0.333 120.113 120.400 0.078 0.000 2.015 428 K HA -0.194 4.133 4.320 0.012 0.000 0.216 428 K C 2.491 179.188 176.600 0.161 0.000 1.052 428 K CA 1.741 58.079 56.287 0.084 0.000 0.937 428 K CB -0.475 32.042 32.500 0.029 0.000 0.719 428 K HN 0.448 nan 8.250 nan 0.000 0.446 429 S N 1.108 116.899 115.700 0.151 0.000 2.372 429 S HA -0.196 4.281 4.470 0.012 0.000 0.227 429 S C 1.969 176.663 174.600 0.157 0.000 1.044 429 S CA 1.490 59.782 58.200 0.154 0.000 1.050 429 S CB -0.322 62.992 63.200 0.191 0.000 0.901 429 S HN 0.287 nan 8.310 nan 0.000 0.447 430 L N 0.513 121.886 121.223 0.251 0.000 1.989 430 L HA -0.043 4.304 4.340 0.012 0.000 0.211 430 L C 2.051 179.020 176.870 0.165 0.000 1.071 430 L CA 2.389 57.373 54.840 0.240 0.000 0.749 430 L CB -1.337 40.941 42.059 0.365 0.000 0.890 430 L HN 0.518 nan 8.230 nan 0.000 0.431 431 Y N 0.364 120.742 120.300 0.129 0.000 2.053 431 Y HA -0.351 4.206 4.550 0.011 0.000 0.277 431 Y C 2.595 178.543 175.900 0.079 0.000 1.159 431 Y CA 2.383 60.561 58.100 0.130 0.000 1.125 431 Y CB -0.476 38.078 38.460 0.156 0.000 0.969 431 Y HN 0.432 nan 8.280 nan 0.000 0.492 432 D N -0.199 120.355 120.400 0.256 0.000 2.108 432 D HA -0.240 4.407 4.640 0.012 0.000 0.190 432 D C 2.217 178.559 176.300 0.069 0.000 0.995 432 D CA 2.029 56.110 54.000 0.135 0.000 0.834 432 D CB -0.189 40.670 40.800 0.098 0.000 0.967 432 D HN 0.362 nan 8.370 nan 0.000 0.446 433 R N -0.115 120.385 120.500 0.001 0.000 2.134 433 R HA -0.202 4.146 4.340 0.012 0.000 0.248 433 R C 2.576 178.849 176.300 -0.044 0.000 1.143 433 R CA 1.800 57.851 56.100 -0.082 0.000 0.957 433 R CB -0.424 29.703 30.300 -0.290 0.000 0.867 433 R HN 0.337 nan 8.270 nan 0.000 0.441 434 M N -0.257 119.295 119.600 -0.080 0.000 2.084 434 M HA -0.220 4.267 4.480 0.012 0.000 0.259 434 M C 2.122 178.410 176.300 -0.020 0.000 1.072 434 M CA 1.856 57.097 55.300 -0.099 0.000 1.107 434 M CB -0.285 32.205 32.600 -0.182 0.000 1.299 434 M HN 0.155 nan 8.290 nan 0.000 0.413 435 F N 1.526 121.294 119.950 -0.303 0.000 2.087 435 F HA -0.346 4.188 4.527 0.011 0.000 0.299 435 F C 2.053 177.751 175.800 -0.168 0.000 1.100 435 F CA 2.044 59.853 58.000 -0.318 0.000 1.226 435 F CB -0.696 38.087 39.000 -0.363 0.000 0.983 435 F HN 0.305 nan 8.300 nan 0.000 0.479 436 N N -0.326 118.485 118.700 0.186 0.000 2.104 436 N HA -0.266 4.481 4.740 0.012 0.000 0.190 436 N C 1.685 177.176 175.510 -0.032 0.000 1.024 436 N CA 1.695 54.794 53.050 0.081 0.000 0.853 436 N CB -1.040 37.504 38.487 0.095 0.000 1.008 436 N HN 0.633 nan 8.380 nan 0.000 0.424 437 W N 2.260 123.460 121.300 -0.166 0.000 2.355 437 W HA -0.077 4.590 4.660 0.012 0.000 0.309 437 W C 2.239 178.633 176.519 -0.209 0.000 1.206 437 W CA 0.916 58.156 57.345 -0.175 0.000 1.284 437 W CB -0.654 28.705 29.460 -0.167 0.000 1.145 437 W HN 0.016 nan 8.180 nan 0.000 0.502 438 L N 0.203 121.394 121.223 -0.052 0.000 2.012 438 L HA -0.268 4.079 4.340 0.012 0.000 0.210 438 L C 2.200 178.804 176.870 -0.443 0.000 1.073 438 L CA 2.125 56.807 54.840 -0.262 0.000 0.748 438 L CB -0.955 40.950 42.059 -0.258 0.000 0.891 438 L HN -0.039 nan 8.230 nan 0.000 0.431 439 V N -0.028 119.592 119.914 -0.490 0.000 2.287 439 V HA -0.325 3.803 4.120 0.012 0.000 0.248 439 V C 2.706 178.593 176.094 -0.345 0.000 1.053 439 V CA 2.237 64.286 62.300 -0.419 0.000 1.027 439 V CB -0.802 30.790 31.823 -0.385 0.000 0.646 439 V HN 0.500 nan 8.190 nan 0.000 0.447 440 R N -0.129 120.152 120.500 -0.366 0.000 2.081 440 R HA -0.227 4.120 4.340 0.012 0.000 0.235 440 R C 2.496 178.511 176.300 -0.476 0.000 1.131 440 R CA 1.898 57.783 56.100 -0.358 0.000 0.960 440 R CB -0.213 29.886 30.300 -0.336 0.000 0.856 440 R HN 0.402 nan 8.270 nan 0.000 0.436 441 R N 0.498 120.559 120.500 -0.732 0.000 2.088 441 R HA -0.104 4.243 4.340 0.012 0.000 0.232 441 R C 2.038 178.008 176.300 -0.550 0.000 1.136 441 R CA 2.084 57.666 56.100 -0.864 0.000 0.926 441 R CB -1.172 28.295 30.300 -1.388 0.000 0.837 441 R HN 0.099 nan 8.270 nan 0.000 0.429 442 V N 1.952 121.638 119.914 -0.380 0.000 2.317 442 V HA -0.349 3.779 4.120 0.012 0.000 0.251 442 V C 1.924 177.895 176.094 -0.205 0.000 1.065 442 V CA 2.370 64.549 62.300 -0.202 0.000 1.049 442 V CB -0.710 31.024 31.823 -0.148 0.000 0.651 442 V HN 0.462 nan 8.190 nan 0.000 0.450 443 N N -0.054 118.510 118.700 -0.226 0.000 2.104 443 N HA -0.209 4.538 4.740 0.012 0.000 0.190 443 N C 1.844 177.241 175.510 -0.188 0.000 1.024 443 N CA 1.476 54.416 53.050 -0.183 0.000 0.853 443 N CB -0.385 37.996 38.487 -0.176 0.000 1.008 443 N HN 0.384 nan 8.380 nan 0.000 0.424 444 K N 0.776 121.033 120.400 -0.239 0.000 2.074 444 K HA -0.064 4.263 4.320 0.012 0.000 0.209 444 K C 1.926 178.413 176.600 -0.188 0.000 1.048 444 K CA 1.419 57.572 56.287 -0.224 0.000 0.926 444 K CB -0.610 31.720 32.500 -0.284 0.000 0.713 444 K HN 0.119 nan 8.250 nan 0.000 0.444 445 T N 0.910 115.348 114.554 -0.194 0.000 2.590 445 T HA -0.076 4.281 4.350 0.012 0.000 0.257 445 T C 1.613 176.246 174.700 -0.112 0.000 1.080 445 T CA 1.576 63.593 62.100 -0.139 0.000 1.180 445 T CB -0.356 68.448 68.868 -0.107 0.000 0.865 445 T HN 0.140 nan 8.240 nan 0.000 0.403 446 L N 1.157 122.316 121.223 -0.107 0.000 2.456 446 L HA -0.078 4.270 4.340 0.012 0.000 0.225 446 L C 1.062 177.875 176.870 -0.095 0.000 1.142 446 L CA 0.454 55.238 54.840 -0.094 0.000 0.796 446 L CB -0.900 41.104 42.059 -0.091 0.000 0.920 446 L HN 0.381 nan 8.230 nan 0.000 0.446 447 D N -0.032 120.302 120.400 -0.110 0.000 2.362 447 D HA 0.163 4.810 4.640 0.012 0.000 0.242 447 D C -0.073 176.164 176.300 -0.105 0.000 1.132 447 D CA -0.068 53.864 54.000 -0.113 0.000 0.907 447 D CB 0.925 41.649 40.800 -0.126 0.000 1.195 447 D HN -0.020 nan 8.370 nan 0.000 0.429 448 T N 1.141 115.630 114.554 -0.110 0.000 2.907 448 T HA 0.356 4.713 4.350 0.012 0.000 0.292 448 T C 0.363 175.004 174.700 -0.098 0.000 1.043 448 T CA -1.003 61.040 62.100 -0.096 0.000 1.003 448 T CB 1.663 70.478 68.868 -0.088 0.000 1.084 448 T HN 0.136 nan 8.240 nan 0.000 0.483 449 K N 0.485 120.836 120.400 -0.081 0.000 2.417 449 K HA 0.521 4.848 4.320 0.012 0.000 0.196 449 K C 0.651 177.210 176.600 -0.069 0.000 1.023 449 K CA -0.452 55.789 56.287 -0.076 0.000 1.122 449 K CB -0.330 32.132 32.500 -0.065 0.000 0.850 449 K HN 0.795 nan 8.250 nan 0.000 0.521 450 A N 0.490 123.269 122.820 -0.069 0.000 2.271 450 A HA 0.613 4.941 4.320 0.012 0.000 0.288 450 A C 0.084 177.626 177.584 -0.070 0.000 1.094 450 A CA -0.465 51.537 52.037 -0.057 0.000 0.828 450 A CB 0.270 19.243 19.000 -0.046 0.000 1.091 450 A HN 0.207 nan 8.150 nan 0.000 0.493 451 K N 1.055 121.421 120.400 -0.057 0.000 2.237 451 K HA 0.543 4.870 4.320 0.012 0.000 0.270 451 K C -0.003 176.562 176.600 -0.058 0.000 1.015 451 K CA -0.260 55.987 56.287 -0.065 0.000 0.949 451 K CB 0.183 32.652 32.500 -0.052 0.000 0.976 451 K HN 0.831 nan 8.250 nan 0.000 0.472 452 R N 1.983 122.438 120.500 -0.075 0.000 2.562 452 R HA 0.371 4.718 4.340 0.012 0.000 0.298 452 R C 0.200 176.464 176.300 -0.060 0.000 0.961 452 R CA -0.959 55.123 56.100 -0.029 0.000 0.881 452 R CB 1.523 31.794 30.300 -0.048 0.000 1.159 452 R HN 0.774 nan 8.270 nan 0.000 0.450 453 N N 0.805 119.458 118.700 -0.078 0.000 2.245 453 N HA 0.036 4.783 4.740 0.012 0.000 0.185 453 N C -0.422 174.654 175.510 -0.724 0.000 1.036 453 N CA 1.211 54.000 53.050 -0.434 0.000 0.857 453 N CB 0.312 38.587 38.487 -0.353 0.000 1.015 453 N HN 0.385 nan 8.380 nan 0.000 0.436 454 Y N -1.283 119.170 120.300 0.254 0.000 2.588 454 Y HA 0.332 4.889 4.550 0.011 0.000 0.343 454 Y C -0.522 175.629 175.900 0.419 0.000 1.065 454 Y CA -1.323 56.939 58.100 0.271 0.000 1.038 454 Y CB 0.993 39.526 38.460 0.121 0.000 1.297 454 Y HN 0.006 nan 8.280 nan 0.000 0.467 455 Y N 0.639 121.159 120.300 0.367 0.000 2.773 455 Y HA 0.919 5.475 4.550 0.011 0.000 0.323 455 Y C -1.405 174.599 175.900 0.174 0.000 1.183 455 Y CA -2.000 56.238 58.100 0.229 0.000 1.144 455 Y CB 1.895 40.267 38.460 -0.147 0.000 1.340 455 Y HN 0.506 nan 8.280 nan 0.000 0.531 456 I N 0.958 121.683 120.570 0.258 0.000 2.599 456 I HA 0.750 4.927 4.170 0.012 0.000 0.285 456 I C -1.051 175.210 176.117 0.239 0.000 1.168 456 I CA -0.473 60.883 61.300 0.093 0.000 1.060 456 I CB 1.581 39.633 38.000 0.088 0.000 1.249 456 I HN 0.968 nan 8.210 nan 0.000 0.442 457 G N 5.976 114.936 108.800 0.266 0.000 2.356 457 G HA2 0.621 4.588 3.960 0.012 0.000 0.322 457 G HA3 0.621 4.588 3.960 0.012 0.000 0.322 457 G C -1.150 173.857 174.900 0.178 0.000 1.125 457 G CA -0.720 44.471 45.100 0.153 0.000 0.885 457 G HN 0.565 nan 8.290 nan 0.000 0.467 458 V N 3.270 123.218 119.914 0.057 0.000 2.370 458 V HA 0.354 4.481 4.120 0.012 0.000 0.283 458 V C 0.018 176.256 176.094 0.240 0.000 1.023 458 V CA -0.700 61.678 62.300 0.130 0.000 0.857 458 V CB 0.988 32.849 31.823 0.064 0.000 0.985 458 V HN 0.661 nan 8.190 nan 0.000 0.443 459 L N 4.101 125.511 121.223 0.312 0.000 2.387 459 L HA 0.797 5.144 4.340 0.012 0.000 0.266 459 L C -0.425 176.545 176.870 0.168 0.000 1.059 459 L CA 0.248 55.288 54.840 0.333 0.000 0.801 459 L CB 1.721 43.902 42.059 0.204 0.000 1.223 459 L HN 0.848 nan 8.230 nan 0.000 0.456 460 D N 2.184 122.665 120.400 0.134 0.000 2.349 460 D HA 0.380 5.027 4.640 0.012 0.000 0.224 460 D C -1.704 174.621 176.300 0.040 0.000 1.323 460 D CA -0.123 53.916 54.000 0.065 0.000 0.917 460 D CB 0.112 40.935 40.800 0.038 0.000 1.524 460 D HN 0.432 nan 8.370 nan 0.000 0.505 461 I N 0.884 121.472 120.570 0.030 0.000 2.865 461 I HA 0.750 4.927 4.170 0.012 0.000 0.302 461 I C 0.518 176.643 176.117 0.014 0.000 1.140 461 I CA -1.735 59.577 61.300 0.021 0.000 1.021 461 I CB 2.075 40.076 38.000 0.002 0.000 1.233 461 I HN 0.386 nan 8.210 nan 0.000 0.427 462 A N 2.754 125.582 122.820 0.014 0.000 2.567 462 A HA 0.467 4.795 4.320 0.012 0.000 0.240 462 A C 0.671 178.267 177.584 0.021 0.000 1.053 462 A CA 0.612 52.661 52.037 0.020 0.000 0.755 462 A CB -0.401 18.614 19.000 0.025 0.000 0.978 462 A HN 0.978 nan 8.150 nan 0.000 0.507 463 G N 0.513 109.334 108.800 0.036 0.000 2.588 463 G HA2 0.446 4.413 3.960 0.012 0.000 0.281 463 G HA3 0.446 4.413 3.960 0.012 0.000 0.281 463 G C -0.065 174.887 174.900 0.087 0.000 1.236 463 G CA -0.777 44.362 45.100 0.065 0.000 0.969 463 G HN 0.729 nan 8.290 nan 0.000 0.504 464 F N -0.159 119.778 119.950 -0.022 0.000 2.646 464 F HA 0.233 4.767 4.527 0.011 0.000 0.363 464 F C 0.761 176.504 175.800 -0.095 0.000 1.143 464 F CA 0.975 58.936 58.000 -0.064 0.000 1.356 464 F CB 0.496 39.440 39.000 -0.093 0.000 1.055 464 F HN 0.415 nan 8.300 nan 0.000 0.606 465 E N 5.308 125.496 120.200 -0.020 0.000 2.381 465 E HA 0.395 4.752 4.350 0.012 0.000 0.286 465 E C -1.528 175.002 176.600 -0.117 0.000 0.960 465 E CA -0.675 55.705 56.400 -0.034 0.000 0.793 465 E CB 1.621 31.262 29.700 -0.099 0.000 1.225 465 E HN 0.523 nan 8.360 nan 0.000 0.420 466 I N 3.332 123.807 120.570 -0.157 0.000 2.569 466 I HA 0.536 4.713 4.170 0.012 0.000 0.296 466 I C -0.630 175.316 176.117 -0.286 0.000 1.028 466 I CA -0.694 60.564 61.300 -0.071 0.000 1.082 466 I CB 1.143 39.180 38.000 0.062 0.000 1.264 466 I HN 0.384 nan 8.210 nan 0.000 0.429 467 F N 1.354 121.293 119.950 -0.020 0.000 2.740 467 F HA 0.380 4.914 4.527 0.011 0.000 0.357 467 F C 1.125 176.926 175.800 0.002 0.000 1.141 467 F CA -0.788 57.214 58.000 0.003 0.000 1.044 467 F CB 0.685 39.695 39.000 0.016 0.000 1.430 467 F HN 0.362 nan 8.300 nan 0.000 0.518 468 D N -0.063 120.504 120.400 0.277 0.000 2.183 468 D HA -0.077 4.570 4.640 0.012 0.000 0.203 468 D C -0.356 176.092 176.300 0.246 0.000 0.969 468 D CA 1.701 55.811 54.000 0.184 0.000 0.842 468 D CB 0.232 41.125 40.800 0.154 0.000 0.957 468 D HN 0.128 nan 8.370 nan 0.000 0.484 469 F N 1.641 121.644 119.950 0.089 0.000 2.659 469 F HA 0.303 4.837 4.527 0.012 0.000 0.342 469 F C -1.183 174.627 175.800 0.016 0.000 1.168 469 F CA -1.052 56.967 58.000 0.031 0.000 1.003 469 F CB 0.598 39.607 39.000 0.014 0.000 1.267 469 F HN -0.323 nan 8.300 nan 0.000 0.463 470 N N 4.402 122.868 118.700 -0.391 0.000 2.424 470 N HA 0.388 5.135 4.740 0.012 0.000 0.271 470 N C -0.623 174.677 175.510 -0.350 0.000 0.985 470 N CA -0.539 52.323 53.050 -0.313 0.000 0.921 470 N CB 1.976 40.305 38.487 -0.264 0.000 1.149 470 N HN 0.476 nan 8.380 nan 0.000 0.492 471 S N 1.160 116.693 115.700 -0.277 0.000 2.561 471 S HA 0.277 4.755 4.470 0.012 0.000 0.282 471 S C 0.833 175.447 174.600 0.023 0.000 1.123 471 S CA -0.537 57.654 58.200 -0.015 0.000 1.011 471 S CB 0.302 63.470 63.200 -0.054 0.000 1.244 471 S HN 0.516 nan 8.310 nan 0.000 0.503 472 F N 2.043 121.653 119.950 -0.566 0.000 2.069 472 F HA -0.046 4.489 4.527 0.012 0.000 0.298 472 F C 2.002 177.433 175.800 -0.615 0.000 1.113 472 F CA 2.561 59.780 58.000 -1.302 0.000 1.214 472 F CB -1.040 37.153 39.000 -1.346 0.000 0.978 472 F HN 0.646 nan 8.300 nan 0.000 0.474 473 E N 0.300 120.227 120.200 -0.455 0.000 2.048 473 E HA -0.308 4.049 4.350 0.012 0.000 0.202 473 E C 2.064 178.449 176.600 -0.358 0.000 1.021 473 E CA 2.101 58.246 56.400 -0.426 0.000 0.825 473 E CB -0.612 28.955 29.700 -0.221 0.000 0.756 473 E HN 0.398 nan 8.360 nan 0.000 0.454 474 Q N 0.376 120.045 119.800 -0.219 0.000 2.133 474 Q HA -0.167 4.180 4.340 0.012 0.000 0.208 474 Q C 2.214 178.173 176.000 -0.069 0.000 0.991 474 Q CA 1.295 57.047 55.803 -0.085 0.000 0.867 474 Q CB -0.433 28.327 28.738 0.036 0.000 0.911 474 Q HN 0.363 nan 8.270 nan 0.000 0.417 475 L N -0.814 120.320 121.223 -0.148 0.000 2.017 475 L HA -0.247 4.100 4.340 0.012 0.000 0.208 475 L C 2.090 178.803 176.870 -0.262 0.000 1.073 475 L CA 1.423 56.063 54.840 -0.333 0.000 0.745 475 L CB -0.438 41.227 42.059 -0.656 0.000 0.894 475 L HN 0.360 nan 8.230 nan 0.000 0.432 476 C N 0.163 119.194 119.300 -0.450 0.000 2.398 476 C HA -0.233 4.234 4.460 0.012 0.000 0.276 476 C C 2.648 177.521 174.990 -0.194 0.000 1.222 476 C CA 1.313 60.119 59.018 -0.353 0.000 1.746 476 C CB -0.830 26.530 27.740 -0.632 0.000 2.039 476 C HN 0.571 nan 8.230 nan 0.000 0.470 477 I N 0.657 121.090 120.570 -0.228 0.000 2.233 477 I HA -0.146 4.032 4.170 0.012 0.000 0.243 477 I C 2.142 178.143 176.117 -0.193 0.000 1.093 477 I CA 1.382 62.578 61.300 -0.174 0.000 1.380 477 I CB -0.577 37.336 38.000 -0.145 0.000 1.067 477 I HN 0.371 nan 8.210 nan 0.000 0.413 478 N N 0.511 119.028 118.700 -0.305 0.000 2.120 478 N HA -0.248 4.499 4.740 0.012 0.000 0.188 478 N C 1.794 177.164 175.510 -0.234 0.000 1.024 478 N CA 1.300 54.009 53.050 -0.569 0.000 0.852 478 N CB -0.677 37.209 38.487 -1.001 0.000 1.003 478 N HN 0.395 nan 8.380 nan 0.000 0.424 479 Y N 1.915 122.124 120.300 -0.151 0.000 2.256 479 Y HA -0.163 4.394 4.550 0.012 0.000 0.288 479 Y C 1.962 177.900 175.900 0.063 0.000 1.155 479 Y CA 1.424 59.544 58.100 0.033 0.000 1.203 479 Y CB -0.757 37.722 38.460 0.031 0.000 0.980 479 Y HN -0.027 nan 8.280 nan 0.000 0.530 480 T N 1.054 115.417 114.554 -0.319 0.000 2.612 480 T HA -0.174 4.183 4.350 0.012 0.000 0.259 480 T C 1.640 176.238 174.700 -0.169 0.000 1.065 480 T CA 1.445 63.343 62.100 -0.336 0.000 1.167 480 T CB -0.465 68.333 68.868 -0.118 0.000 0.863 480 T HN 0.404 nan 8.240 nan 0.000 0.407 481 N N 1.091 119.766 118.700 -0.042 0.000 2.247 481 N HA -0.163 4.585 4.740 0.012 0.000 0.189 481 N C 1.872 177.486 175.510 0.173 0.000 1.009 481 N CA 1.099 54.203 53.050 0.090 0.000 0.872 481 N CB -0.308 38.295 38.487 0.194 0.000 0.980 481 N HN 0.436 nan 8.380 nan 0.000 0.436 482 E N 1.444 121.752 120.200 0.180 0.000 2.038 482 E HA -0.112 4.245 4.350 0.012 0.000 0.195 482 E C 1.909 178.597 176.600 0.148 0.000 1.000 482 E CA 1.218 57.788 56.400 0.283 0.000 0.803 482 E CB 0.067 29.962 29.700 0.326 0.000 0.750 482 E HN 0.147 nan 8.360 nan 0.000 0.448 483 R N 0.037 120.549 120.500 0.019 0.000 2.070 483 R HA -0.082 4.265 4.340 0.012 0.000 0.233 483 R C 2.649 179.010 176.300 0.102 0.000 1.137 483 R CA 1.226 57.351 56.100 0.041 0.000 0.945 483 R CB -1.114 29.137 30.300 -0.081 0.000 0.845 483 R HN 0.315 nan 8.270 nan 0.000 0.430 484 L N 0.860 122.114 121.223 0.052 0.000 1.997 484 L HA -0.292 4.055 4.340 0.012 0.000 0.216 484 L C 2.768 179.765 176.870 0.212 0.000 1.074 484 L CA 1.787 56.705 54.840 0.130 0.000 0.763 484 L CB -0.540 41.566 42.059 0.078 0.000 0.890 484 L HN 0.176 nan 8.230 nan 0.000 0.434 485 Q N 0.140 119.991 119.800 0.084 0.000 2.084 485 Q HA -0.282 4.065 4.340 0.012 0.000 0.202 485 Q C 2.120 178.143 176.000 0.038 0.000 0.978 485 Q CA 1.979 57.743 55.803 -0.065 0.000 0.844 485 Q CB -0.299 28.094 28.738 -0.575 0.000 0.898 485 Q HN 0.472 nan 8.270 nan 0.000 0.426 486 Q N -1.253 118.602 119.800 0.090 0.000 2.234 486 Q HA -0.188 4.159 4.340 0.012 0.000 0.206 486 Q C 1.706 177.877 176.000 0.285 0.000 0.980 486 Q CA 1.355 57.261 55.803 0.172 0.000 0.869 486 Q CB -0.320 28.538 28.738 0.200 0.000 0.912 486 Q HN 0.499 nan 8.270 nan 0.000 0.436 487 F N 0.487 120.510 119.950 0.122 0.000 2.134 487 F HA -0.160 4.373 4.527 0.011 0.000 0.299 487 F C 1.653 177.548 175.800 0.158 0.000 1.097 487 F CA 1.277 59.295 58.000 0.029 0.000 1.264 487 F CB -0.673 38.249 39.000 -0.130 0.000 1.001 487 F HN 0.215 nan 8.300 nan 0.000 0.479 488 F N 1.289 121.153 119.950 -0.144 0.000 2.051 488 F HA -0.204 4.330 4.527 0.012 0.000 0.296 488 F C 2.273 177.967 175.800 -0.177 0.000 1.122 488 F CA 2.348 60.117 58.000 -0.385 0.000 1.201 488 F CB -0.907 37.757 39.000 -0.560 0.000 0.978 488 F HN -0.011 nan 8.300 nan 0.000 0.472 489 N N -0.939 117.729 118.700 -0.053 0.000 2.060 489 N HA -0.371 4.376 4.740 0.012 0.000 0.195 489 N C 1.825 177.428 175.510 0.154 0.000 1.028 489 N CA 1.592 54.652 53.050 0.016 0.000 0.861 489 N CB -0.622 37.974 38.487 0.181 0.000 1.029 489 N HN 0.413 nan 8.380 nan 0.000 0.428 490 H N 0.606 119.724 119.070 0.079 0.000 2.265 490 H HA -0.214 4.348 4.556 0.012 0.000 0.293 490 H C 2.215 177.602 175.328 0.099 0.000 1.089 490 H CA 2.384 58.509 56.048 0.129 0.000 1.244 490 H CB -0.532 29.355 29.762 0.208 0.000 1.355 490 H HN 0.301 nan 8.280 nan 0.000 0.485 491 H N -0.254 118.668 119.070 -0.247 0.000 2.251 491 H HA -0.181 4.382 4.556 0.012 0.000 0.294 491 H C 2.437 177.551 175.328 -0.358 0.000 1.078 491 H CA 2.353 58.184 56.048 -0.362 0.000 1.246 491 H CB -0.514 28.980 29.762 -0.448 0.000 1.358 491 H HN 0.309 nan 8.280 nan 0.000 0.488 492 M N -0.672 118.609 119.600 -0.532 0.000 2.103 492 M HA -0.217 4.270 4.480 0.012 0.000 0.255 492 M C 2.343 178.592 176.300 -0.086 0.000 1.074 492 M CA 1.727 56.768 55.300 -0.431 0.000 1.090 492 M CB -1.059 31.266 32.600 -0.459 0.000 1.325 492 M HN 0.417 nan 8.290 nan 0.000 0.403 493 F N 1.034 120.952 119.950 -0.052 0.000 2.120 493 F HA -0.267 4.267 4.527 0.012 0.000 0.300 493 F C 2.039 177.558 175.800 -0.468 0.000 1.095 493 F CA 1.476 59.231 58.000 -0.409 0.000 1.249 493 F CB -0.355 38.232 39.000 -0.688 0.000 0.995 493 F HN 0.037 nan 8.300 nan 0.000 0.480 494 I N 0.574 120.759 120.570 -0.642 0.000 2.202 494 I HA -0.268 3.910 4.170 0.012 0.000 0.242 494 I C 2.439 178.226 176.117 -0.550 0.000 1.091 494 I CA 1.343 62.254 61.300 -0.648 0.000 1.368 494 I CB -1.403 36.358 38.000 -0.399 0.000 1.058 494 I HN 0.250 nan 8.210 nan 0.000 0.410 495 L N -0.180 120.741 121.223 -0.503 0.000 2.083 495 L HA -0.173 4.174 4.340 0.012 0.000 0.209 495 L C 2.544 179.197 176.870 -0.362 0.000 1.083 495 L CA 1.092 55.685 54.840 -0.411 0.000 0.752 495 L CB -0.736 41.050 42.059 -0.455 0.000 0.899 495 L HN 0.198 nan 8.230 nan 0.000 0.433 496 E N 0.416 120.409 120.200 -0.346 0.000 2.031 496 E HA -0.215 4.142 4.350 0.012 0.000 0.193 496 E C 2.210 178.577 176.600 -0.388 0.000 0.994 496 E CA 1.249 57.476 56.400 -0.288 0.000 0.800 496 E CB -0.191 29.597 29.700 0.147 0.000 0.752 496 E HN 0.563 nan 8.360 nan 0.000 0.447 497 Q N 0.281 119.804 119.800 -0.461 0.000 1.985 497 Q HA -0.235 4.112 4.340 0.012 0.000 0.207 497 Q C 2.193 178.059 176.000 -0.223 0.000 0.996 497 Q CA 1.810 57.394 55.803 -0.365 0.000 0.851 497 Q CB -0.322 27.989 28.738 -0.712 0.000 0.921 497 Q HN 0.119 nan 8.270 nan 0.000 0.418 498 E N 1.008 121.043 120.200 -0.275 0.000 2.233 498 E HA -0.270 4.087 4.350 0.012 0.000 0.199 498 E C 1.607 178.118 176.600 -0.147 0.000 1.004 498 E CA 1.785 58.075 56.400 -0.183 0.000 0.819 498 E CB -0.042 29.547 29.700 -0.185 0.000 0.738 498 E HN 0.304 nan 8.360 nan 0.000 0.478 499 E N -0.878 119.190 120.200 -0.221 0.000 2.016 499 E HA -0.128 4.229 4.350 0.012 0.000 0.190 499 E C 1.883 178.410 176.600 -0.121 0.000 0.985 499 E CA 1.525 57.812 56.400 -0.189 0.000 0.802 499 E CB -0.615 28.908 29.700 -0.294 0.000 0.762 499 E HN 0.547 nan 8.360 nan 0.000 0.448 500 Y N 0.691 120.988 120.300 -0.004 0.000 2.081 500 Y HA -0.299 4.258 4.550 0.012 0.000 0.280 500 Y C 2.429 178.302 175.900 -0.045 0.000 1.163 500 Y CA 1.588 59.641 58.100 -0.078 0.000 1.135 500 Y CB -0.339 38.149 38.460 0.047 0.000 0.970 500 Y HN 0.080 nan 8.280 nan 0.000 0.498 501 K N 1.297 121.767 120.400 0.116 0.000 2.103 501 K HA -0.270 4.057 4.320 0.012 0.000 0.207 501 K C 1.985 178.603 176.600 0.031 0.000 1.048 501 K CA 2.009 58.328 56.287 0.052 0.000 0.930 501 K CB -0.195 32.307 32.500 0.004 0.000 0.716 501 K HN 0.079 nan 8.250 nan 0.000 0.444 502 K N 0.458 120.869 120.400 0.018 0.000 2.063 502 K HA -0.148 4.179 4.320 0.012 0.000 0.208 502 K C 1.605 178.236 176.600 0.052 0.000 1.048 502 K CA 2.002 58.302 56.287 0.021 0.000 0.928 502 K CB -0.148 32.357 32.500 0.008 0.000 0.713 502 K HN 0.366 nan 8.250 nan 0.000 0.442 503 E N -0.215 120.033 120.200 0.080 0.000 2.411 503 E HA 0.246 4.603 4.350 0.012 0.000 0.204 503 E C 0.829 177.462 176.600 0.054 0.000 1.059 503 E CA 0.284 56.746 56.400 0.103 0.000 1.112 503 E CB -0.891 28.941 29.700 0.220 0.000 1.168 503 E HN 0.502 nan 8.360 nan 0.000 0.445 504 G N 0.642 109.466 108.800 0.040 0.000 2.256 504 G HA2 -0.289 3.678 3.960 0.012 0.000 0.279 504 G HA3 -0.289 3.678 3.960 0.012 0.000 0.279 504 G C 0.687 175.586 174.900 -0.001 0.000 0.998 504 G CA 0.723 45.836 45.100 0.023 0.000 0.720 504 G HN 0.993 nan 8.290 nan 0.000 0.521 505 I N 0.048 120.605 120.570 -0.023 0.000 2.697 505 I HA 0.667 4.845 4.170 0.012 0.000 0.279 505 I C 0.244 176.319 176.117 -0.070 0.000 1.171 505 I CA -0.330 60.909 61.300 -0.102 0.000 1.135 505 I CB 0.181 38.028 38.000 -0.254 0.000 1.445 505 I HN 0.201 nan 8.210 nan 0.000 0.541 506 A N 6.164 129.016 122.820 0.053 0.000 2.324 506 A HA 0.704 5.031 4.320 0.012 0.000 0.330 506 A C -0.803 176.921 177.584 0.234 0.000 1.165 506 A CA -0.587 51.568 52.037 0.196 0.000 0.813 506 A CB 0.806 19.940 19.000 0.224 0.000 1.197 506 A HN 0.933 nan 8.150 nan 0.000 0.484 507 W N 0.440 121.629 121.300 -0.184 0.000 4.303 507 W HA 0.661 5.328 4.660 0.012 0.000 0.555 507 W C 0.287 176.715 176.519 -0.152 0.000 2.980 507 W CA 0.291 57.514 57.345 -0.203 0.000 1.067 507 W CB 0.010 29.287 29.460 -0.305 0.000 2.310 507 W HN 0.718 nan 8.180 nan 0.000 0.495 508 E N 1.595 120.949 120.200 -1.410 0.000 1.985 508 E HA 0.385 4.742 4.350 0.012 0.000 0.268 508 E C -1.868 173.812 176.600 -1.534 0.000 1.219 508 E CA -0.064 55.594 56.400 -1.236 0.000 0.942 508 E CB -0.684 28.478 29.700 -0.897 0.000 1.045 508 E HN 0.309 nan 8.360 nan 0.000 0.413 509 F N -0.007 119.473 119.950 -0.783 0.000 2.679 509 F HA 0.805 5.339 4.527 0.012 0.000 0.341 509 F C 0.283 175.902 175.800 -0.302 0.000 1.095 509 F CA -1.106 56.570 58.000 -0.539 0.000 1.004 509 F CB 2.043 40.869 39.000 -0.291 0.000 1.388 509 F HN 0.533 nan 8.300 nan 0.000 0.505 510 I N -1.238 119.374 120.570 0.070 0.000 2.624 510 I HA 0.166 4.343 4.170 0.012 0.000 0.293 510 I C -1.456 174.344 176.117 -0.527 0.000 1.774 510 I CA -1.061 60.120 61.300 -0.199 0.000 1.013 510 I CB 1.071 38.983 38.000 -0.148 0.000 1.557 510 I HN 0.434 nan 8.210 nan 0.000 0.509 511 D N 2.875 122.635 120.400 -1.068 0.000 2.429 511 D HA 0.007 4.655 4.640 0.012 0.000 0.233 511 D C 0.210 176.118 176.300 -0.653 0.000 1.202 511 D CA 0.781 53.849 54.000 -1.552 0.000 0.879 511 D CB 0.589 40.770 40.800 -1.031 0.000 1.212 511 D HN 0.491 nan 8.370 nan 0.000 0.465 512 F N 0.480 120.279 119.950 -0.251 0.000 2.416 512 F HA 0.165 4.699 4.527 0.012 0.000 0.296 512 F C 2.138 177.927 175.800 -0.017 0.000 1.099 512 F CA 0.263 58.239 58.000 -0.040 0.000 1.427 512 F CB -0.444 38.574 39.000 0.030 0.000 1.079 512 F HN 0.368 nan 8.300 nan 0.000 0.536 513 G N 0.474 109.359 108.800 0.142 0.000 2.916 513 G HA2 0.307 4.274 3.960 0.012 0.000 0.280 513 G HA3 0.307 4.274 3.960 0.012 0.000 0.280 513 G C 0.482 175.421 174.900 0.065 0.000 0.758 513 G CA -0.037 45.143 45.100 0.133 0.000 1.993 513 G HN 0.281 nan 8.290 nan 0.000 0.564 514 M N 0.853 120.500 119.600 0.078 0.000 3.204 514 M HA 0.359 4.846 4.480 0.012 0.000 0.189 514 M C 1.544 177.890 176.300 0.078 0.000 1.723 514 M CA 0.410 55.738 55.300 0.048 0.000 1.510 514 M CB 0.390 33.008 32.600 0.031 0.000 0.954 514 M HN 0.132 nan 8.290 nan 0.000 0.583 515 D N 0.374 120.832 120.400 0.095 0.000 2.378 515 D HA -0.009 4.638 4.640 0.012 0.000 0.227 515 D C 1.711 178.095 176.300 0.141 0.000 1.012 515 D CA 0.651 54.715 54.000 0.108 0.000 0.905 515 D CB -0.028 40.836 40.800 0.107 0.000 0.895 515 D HN 0.353 nan 8.370 nan 0.000 0.532 516 L N -0.111 121.201 121.223 0.149 0.000 2.179 516 L HA -0.063 4.285 4.340 0.012 0.000 0.208 516 L C 2.149 179.127 176.870 0.180 0.000 1.096 516 L CA 0.793 55.743 54.840 0.185 0.000 0.779 516 L CB -0.345 41.811 42.059 0.161 0.000 0.922 516 L HN 0.159 nan 8.230 nan 0.000 0.443 517 Q N -0.537 119.345 119.800 0.138 0.000 2.119 517 Q HA -0.198 4.149 4.340 0.012 0.000 0.201 517 Q C 2.105 178.181 176.000 0.127 0.000 0.972 517 Q CA 1.356 57.232 55.803 0.123 0.000 0.847 517 Q CB -0.094 28.692 28.738 0.081 0.000 0.903 517 Q HN 0.460 nan 8.270 nan 0.000 0.433 518 M N -0.742 118.930 119.600 0.119 0.000 2.067 518 M HA -0.207 4.280 4.480 0.012 0.000 0.260 518 M C 2.488 178.867 176.300 0.133 0.000 1.069 518 M CA 1.601 56.968 55.300 0.112 0.000 1.117 518 M CB -0.407 32.253 32.600 0.101 0.000 1.334 518 M HN 0.378 nan 8.290 nan 0.000 0.407 519 C N 0.887 120.284 119.300 0.162 0.000 2.401 519 C HA -0.184 4.283 4.460 0.012 0.000 0.276 519 C C 2.514 177.632 174.990 0.214 0.000 1.233 519 C CA 1.060 60.187 59.018 0.181 0.000 1.753 519 C CB -1.197 26.683 27.740 0.234 0.000 2.029 519 C HN 0.640 nan 8.230 nan 0.000 0.478 520 I N 0.785 121.501 120.570 0.244 0.000 2.179 520 I HA -0.157 4.020 4.170 0.012 0.000 0.242 520 I C 2.268 178.500 176.117 0.191 0.000 1.088 520 I CA 2.055 63.524 61.300 0.283 0.000 1.357 520 I CB -0.635 37.524 38.000 0.265 0.000 1.051 520 I HN 0.334 nan 8.210 nan 0.000 0.409 521 D N 0.784 121.266 120.400 0.136 0.000 2.117 521 D HA -0.157 4.490 4.640 0.012 0.000 0.198 521 D C 2.199 178.531 176.300 0.054 0.000 0.982 521 D CA 0.919 54.974 54.000 0.092 0.000 0.828 521 D CB -0.343 40.506 40.800 0.082 0.000 0.967 521 D HN 0.247 nan 8.370 nan 0.000 0.464 522 L N 0.327 121.579 121.223 0.048 0.000 2.263 522 L HA -0.182 4.165 4.340 0.012 0.000 0.216 522 L C 1.796 178.612 176.870 -0.090 0.000 1.111 522 L CA 1.027 55.845 54.840 -0.038 0.000 0.773 522 L CB 0.015 42.091 42.059 0.028 0.000 0.906 522 L HN 0.062 nan 8.230 nan 0.000 0.439 523 I N -1.212 119.339 120.570 -0.032 0.000 2.899 523 I HA -0.138 4.039 4.170 0.012 0.000 0.257 523 I C 2.310 178.317 176.117 -0.182 0.000 1.115 523 I CA 0.740 61.966 61.300 -0.124 0.000 1.451 523 I CB -0.090 37.777 38.000 -0.222 0.000 1.251 523 I HN 0.212 nan 8.210 nan 0.000 0.456 524 E N 2.114 122.236 120.200 -0.131 0.000 2.276 524 E HA 0.109 4.466 4.350 0.012 0.000 0.193 524 E C 1.215 177.830 176.600 0.024 0.000 0.983 524 E CA 0.081 56.444 56.400 -0.062 0.000 0.861 524 E CB -0.084 29.664 29.700 0.081 0.000 0.817 524 E HN 0.225 nan 8.360 nan 0.000 0.485 525 K N 2.055 122.481 120.400 0.042 0.000 2.286 525 K HA 0.127 4.454 4.320 0.012 0.000 0.256 525 K C -1.783 174.853 176.600 0.060 0.000 0.999 525 K CA -0.733 55.587 56.287 0.055 0.000 0.908 525 K CB -0.939 31.598 32.500 0.061 0.000 0.981 525 K HN -0.157 nan 8.250 nan 0.000 0.500 526 P HA -0.306 nan 4.420 nan 0.000 0.219 526 P C 1.601 178.951 177.300 0.083 0.000 1.161 526 P CA 2.686 65.823 63.100 0.063 0.000 0.909 526 P CB -0.146 31.584 31.700 0.049 0.000 0.793 527 M N -2.785 116.874 119.600 0.099 0.000 2.419 527 M HA 0.185 4.672 4.480 0.012 0.000 0.264 527 M C 1.318 177.791 176.300 0.288 0.000 1.082 527 M CA 0.946 56.330 55.300 0.139 0.000 1.119 527 M CB -1.352 31.314 32.600 0.111 0.000 1.398 527 M HN -0.269 nan 8.290 nan 0.000 0.453 528 G N 1.491 110.397 108.800 0.177 0.000 3.255 528 G HA2 -0.013 3.954 3.960 0.012 0.000 0.249 528 G HA3 -0.013 3.954 3.960 0.012 0.000 0.249 528 G C 0.786 175.725 174.900 0.066 0.000 1.269 528 G CA -0.006 45.122 45.100 0.047 0.000 0.904 528 G HN 0.444 nan 8.290 nan 0.000 0.627 529 I N -0.269 120.265 120.570 -0.061 0.000 2.133 529 I HA -0.139 4.038 4.170 0.012 0.000 0.238 529 I C 2.742 178.982 176.117 0.204 0.000 1.074 529 I CA 0.949 62.287 61.300 0.065 0.000 1.342 529 I CB -0.370 37.674 38.000 0.073 0.000 1.053 529 I HN 0.348 nan 8.210 nan 0.000 0.404 530 L N 0.537 121.835 121.223 0.125 0.000 2.261 530 L HA -0.230 4.118 4.340 0.012 0.000 0.216 530 L C 2.762 179.710 176.870 0.129 0.000 1.114 530 L CA 1.382 56.302 54.840 0.134 0.000 0.777 530 L CB -0.646 41.424 42.059 0.018 0.000 0.910 530 L HN 0.373 nan 8.230 nan 0.000 0.440 531 S N 0.628 116.401 115.700 0.121 0.000 2.345 531 S HA -0.161 4.316 4.470 0.012 0.000 0.220 531 S C 1.958 176.651 174.600 0.155 0.000 1.031 531 S CA 1.061 59.333 58.200 0.119 0.000 0.996 531 S CB -0.313 62.957 63.200 0.116 0.000 0.882 531 S HN 0.359 nan 8.310 nan 0.000 0.445 532 I N 1.043 121.746 120.570 0.221 0.000 2.361 532 I HA -0.112 4.065 4.170 0.012 0.000 0.251 532 I C 2.494 178.792 176.117 0.301 0.000 1.133 532 I CA 0.977 62.450 61.300 0.288 0.000 1.413 532 I CB -0.259 37.950 38.000 0.349 0.000 1.073 532 I HN 0.350 nan 8.210 nan 0.000 0.424 533 L N 0.356 121.718 121.223 0.233 0.000 2.072 533 L HA -0.179 4.168 4.340 0.012 0.000 0.205 533 L C 2.438 179.265 176.870 -0.073 0.000 1.079 533 L CA 1.521 56.299 54.840 -0.103 0.000 0.752 533 L CB -0.160 41.841 42.059 -0.096 0.000 0.906 533 L HN 0.220 nan 8.230 nan 0.000 0.436 534 E N -0.675 119.534 120.200 0.016 0.000 2.204 534 E HA -0.245 4.112 4.350 0.012 0.000 0.194 534 E C 1.859 178.464 176.600 0.008 0.000 0.989 534 E CA 0.881 57.284 56.400 0.006 0.000 0.824 534 E CB 0.082 29.803 29.700 0.034 0.000 0.756 534 E HN 0.497 nan 8.360 nan 0.000 0.477 535 E N 0.938 121.174 120.200 0.061 0.000 2.028 535 E HA -0.152 4.205 4.350 0.012 0.000 0.190 535 E C 1.737 178.423 176.600 0.144 0.000 0.984 535 E CA 0.547 57.000 56.400 0.088 0.000 0.800 535 E CB 0.233 30.036 29.700 0.170 0.000 0.758 535 E HN 0.070 nan 8.360 nan 0.000 0.448 536 E N -0.050 120.288 120.200 0.229 0.000 2.455 536 E HA -0.152 4.206 4.350 0.012 0.000 0.202 536 E C 1.650 178.359 176.600 0.182 0.000 1.045 536 E CA 0.312 56.908 56.400 0.327 0.000 0.872 536 E CB -0.183 29.651 29.700 0.223 0.000 0.792 536 E HN 0.305 nan 8.360 nan 0.000 0.542 537 C N -0.480 118.833 119.300 0.022 0.000 2.594 537 C HA 0.139 4.607 4.460 0.012 0.000 0.265 537 C C 2.294 177.235 174.990 -0.081 0.000 1.351 537 C CA -0.062 58.934 59.018 -0.037 0.000 1.744 537 C CB -0.650 27.046 27.740 -0.074 0.000 1.890 537 C HN 0.386 nan 8.230 nan 0.000 0.551 538 M N -0.761 118.712 119.600 -0.212 0.000 2.447 538 M HA 0.151 4.638 4.480 0.012 0.000 0.264 538 M C -0.097 176.003 176.300 -0.333 0.000 1.095 538 M CA 0.831 55.936 55.300 -0.325 0.000 1.125 538 M CB -0.063 32.241 32.600 -0.493 0.000 1.389 538 M HN 0.090 nan 8.290 nan 0.000 0.459 539 F N 0.668 120.620 119.950 0.004 0.000 2.443 539 F HA 0.202 4.736 4.527 0.012 0.000 0.353 539 F C -1.385 174.418 175.800 0.005 0.000 1.101 539 F CA -2.360 55.645 58.000 0.008 0.000 1.226 539 F CB -0.449 38.559 39.000 0.014 0.000 1.140 539 F HN -0.107 nan 8.300 nan 0.000 0.557 540 P HA -0.095 nan 4.420 nan 0.000 0.205 540 P C 0.655 178.007 177.300 0.088 0.000 1.203 540 P CA 1.598 64.758 63.100 0.100 0.000 0.926 540 P CB 0.002 31.753 31.700 0.084 0.000 0.767 541 K N -0.492 119.958 120.400 0.083 0.000 3.226 541 K HA 0.611 4.938 4.320 0.012 0.000 0.268 541 K C 0.522 177.157 176.600 0.058 0.000 1.217 541 K CA 0.107 56.428 56.287 0.058 0.000 1.242 541 K CB -1.198 31.326 32.500 0.039 0.000 1.389 541 K HN 0.407 nan 8.250 nan 0.000 0.406 542 A N -0.083 122.787 122.820 0.084 0.000 2.264 542 A HA 0.804 5.132 4.320 0.012 0.000 0.304 542 A C 0.399 178.029 177.584 0.077 0.000 1.100 542 A CA 0.415 52.502 52.037 0.084 0.000 0.839 542 A CB 0.489 19.571 19.000 0.137 0.000 1.121 542 A HN 0.820 nan 8.150 nan 0.000 0.496 543 D N -0.686 119.767 120.400 0.089 0.000 2.838 543 D HA 0.455 5.102 4.640 0.012 0.000 0.334 543 D C 0.121 176.508 176.300 0.146 0.000 1.315 543 D CA 0.239 54.295 54.000 0.094 0.000 0.917 543 D CB -0.139 40.701 40.800 0.068 0.000 1.435 543 D HN 0.402 nan 8.370 nan 0.000 0.517 544 D N 0.007 120.494 120.400 0.144 0.000 2.120 544 D HA -0.164 4.483 4.640 0.012 0.000 0.191 544 D C 2.227 178.608 176.300 0.135 0.000 0.994 544 D CA 2.445 56.557 54.000 0.186 0.000 0.838 544 D CB -0.290 40.599 40.800 0.148 0.000 0.976 544 D HN 0.651 nan 8.370 nan 0.000 0.447 545 K N 0.826 121.264 120.400 0.063 0.000 2.089 545 K HA -0.206 4.121 4.320 0.012 0.000 0.210 545 K C 2.156 178.769 176.600 0.022 0.000 1.048 545 K CA 1.981 58.275 56.287 0.011 0.000 0.926 545 K CB -0.615 31.879 32.500 -0.010 0.000 0.714 545 K HN 0.296 nan 8.250 nan 0.000 0.448 546 S N 0.862 116.597 115.700 0.059 0.000 2.368 546 S HA -0.163 4.314 4.470 0.012 0.000 0.224 546 S C 1.966 176.635 174.600 0.116 0.000 1.029 546 S CA 0.684 58.918 58.200 0.056 0.000 0.988 546 S CB -0.660 62.571 63.200 0.051 0.000 0.838 546 S HN 0.436 nan 8.310 nan 0.000 0.462 547 F N 2.559 122.517 119.950 0.014 0.000 2.146 547 F HA 0.070 4.604 4.527 0.012 0.000 0.298 547 F C 2.656 178.469 175.800 0.023 0.000 1.096 547 F CA 1.581 59.595 58.000 0.024 0.000 1.275 547 F CB -0.956 38.062 39.000 0.029 0.000 1.008 547 F HN 0.348 nan 8.300 nan 0.000 0.480 548 Q N 0.212 119.903 119.800 -0.181 0.000 2.050 548 Q HA -0.216 4.131 4.340 0.012 0.000 0.202 548 Q C 1.959 177.956 176.000 -0.005 0.000 0.980 548 Q CA 2.076 57.767 55.803 -0.187 0.000 0.840 548 Q CB -0.355 28.366 28.738 -0.028 0.000 0.898 548 Q HN 0.369 nan 8.270 nan 0.000 0.424 549 D N 0.540 120.928 120.400 -0.020 0.000 2.137 549 D HA -0.216 4.431 4.640 0.012 0.000 0.189 549 D C 1.757 178.046 176.300 -0.019 0.000 0.998 549 D CA 1.504 55.489 54.000 -0.024 0.000 0.839 549 D CB -0.193 40.579 40.800 -0.046 0.000 0.962 549 D HN 0.221 nan 8.370 nan 0.000 0.446 550 K N 0.247 120.623 120.400 -0.040 0.000 2.113 550 K HA -0.154 4.173 4.320 0.012 0.000 0.208 550 K C 2.386 178.925 176.600 -0.102 0.000 1.047 550 K CA 0.723 56.981 56.287 -0.048 0.000 0.928 550 K CB -0.196 32.316 32.500 0.021 0.000 0.716 550 K HN 0.078 nan 8.250 nan 0.000 0.446 551 L N -0.512 120.599 121.223 -0.186 0.000 1.948 551 L HA -0.239 4.108 4.340 0.012 0.000 0.212 551 L C 2.244 178.956 176.870 -0.263 0.000 1.074 551 L CA 1.623 56.302 54.840 -0.267 0.000 0.753 551 L CB -0.670 41.073 42.059 -0.526 0.000 0.888 551 L HN 0.221 nan 8.230 nan 0.000 0.432 552 Y N 0.180 120.341 120.300 -0.232 0.000 2.102 552 Y HA -0.375 4.182 4.550 0.012 0.000 0.280 552 Y C 2.790 178.553 175.900 -0.228 0.000 1.178 552 Y CA 1.708 59.694 58.100 -0.189 0.000 1.146 552 Y CB -0.637 37.772 38.460 -0.085 0.000 0.968 552 Y HN 0.242 nan 8.280 nan 0.000 0.504 553 Q N 0.003 119.792 119.800 -0.019 0.000 1.967 553 Q HA -0.270 4.077 4.340 0.012 0.000 0.210 553 Q C 2.069 177.954 176.000 -0.192 0.000 1.005 553 Q CA 1.929 57.677 55.803 -0.092 0.000 0.862 553 Q CB -0.392 28.293 28.738 -0.088 0.000 0.939 553 Q HN 0.552 nan 8.270 nan 0.000 0.417 554 N N -0.792 117.727 118.700 -0.302 0.000 2.188 554 N HA -0.120 4.627 4.740 0.012 0.000 0.184 554 N C 1.433 176.521 175.510 -0.703 0.000 1.018 554 N CA 1.087 53.833 53.050 -0.508 0.000 0.858 554 N CB 0.005 38.089 38.487 -0.671 0.000 0.989 554 N HN 0.404 nan 8.380 nan 0.000 0.426 555 H N -1.068 117.753 119.070 -0.415 0.000 2.874 555 H HA 0.185 4.748 4.556 0.012 0.000 0.264 555 H C 0.311 175.228 175.328 -0.686 0.000 1.007 555 H CA -0.320 55.354 56.048 -0.623 0.000 1.207 555 H CB 0.371 29.528 29.762 -1.008 0.000 1.487 555 H HN 0.134 nan 8.280 nan 0.000 0.505 556 M N 0.735 120.091 119.600 -0.407 0.000 2.242 556 M HA 0.301 4.788 4.480 0.012 0.000 0.344 556 M C 1.163 177.454 176.300 -0.015 0.000 1.140 556 M CA 0.322 55.545 55.300 -0.128 0.000 1.160 556 M CB 0.405 33.077 32.600 0.120 0.000 1.491 556 M HN 0.397 nan 8.290 nan 0.000 0.459 557 G N 3.849 112.691 108.800 0.071 0.000 2.379 557 G HA2 -0.312 3.655 3.960 0.012 0.000 0.297 557 G HA3 -0.312 3.655 3.960 0.012 0.000 0.297 557 G C 0.380 175.295 174.900 0.025 0.000 1.004 557 G CA 1.136 46.273 45.100 0.060 0.000 0.921 557 G HN 0.857 nan 8.290 nan 0.000 0.511 558 K N -1.529 118.880 120.400 0.016 0.000 2.601 558 K HA 0.103 4.430 4.320 0.012 0.000 0.214 558 K C 0.229 176.850 176.600 0.035 0.000 1.628 558 K CA -0.357 55.932 56.287 0.005 0.000 1.036 558 K CB 0.680 33.154 32.500 -0.042 0.000 1.352 558 K HN 0.187 nan 8.250 nan 0.000 0.607 559 N N 0.936 119.675 118.700 0.065 0.000 2.296 559 N HA 0.205 4.952 4.740 0.012 0.000 0.294 559 N C -0.018 175.579 175.510 0.145 0.000 1.033 559 N CA -0.100 53.016 53.050 0.110 0.000 0.839 559 N CB 1.543 40.112 38.487 0.138 0.000 1.395 559 N HN -0.057 nan 8.380 nan 0.000 0.479 560 R N 1.830 122.401 120.500 0.119 0.000 2.148 560 R HA 0.124 4.471 4.340 0.012 0.000 0.223 560 R C 1.740 178.115 176.300 0.126 0.000 1.088 560 R CA 1.241 57.408 56.100 0.112 0.000 0.985 560 R CB 0.007 30.358 30.300 0.084 0.000 0.880 560 R HN 0.532 nan 8.270 nan 0.000 0.451 561 M N -0.389 119.296 119.600 0.142 0.000 2.419 561 M HA 0.069 4.556 4.480 0.012 0.000 0.264 561 M C 0.097 176.496 176.300 0.165 0.000 1.082 561 M CA 0.579 55.957 55.300 0.130 0.000 1.119 561 M CB -0.284 32.391 32.600 0.125 0.000 1.398 561 M HN -0.023 nan 8.290 nan 0.000 0.453 562 F N 2.673 122.658 119.950 0.059 0.000 2.308 562 F HA 0.373 4.908 4.527 0.012 0.000 0.370 562 F C 0.402 176.244 175.800 0.071 0.000 1.100 562 F CA -0.902 57.144 58.000 0.077 0.000 1.108 562 F CB 0.466 39.488 39.000 0.036 0.000 1.293 562 F HN 0.018 nan 8.300 nan 0.000 0.478 563 T N 2.063 116.707 114.554 0.149 0.000 2.926 563 T HA 0.444 4.801 4.350 0.012 0.000 0.289 563 T C -0.599 174.164 174.700 0.106 0.000 1.054 563 T CA -1.121 61.076 62.100 0.161 0.000 1.015 563 T CB 1.831 70.755 68.868 0.093 0.000 1.167 563 T HN 0.568 nan 8.240 nan 0.000 0.526 564 K N 0.921 121.411 120.400 0.151 0.000 2.154 564 K HA 0.417 4.744 4.320 0.012 0.000 0.264 564 K C -2.458 174.201 176.600 0.098 0.000 1.008 564 K CA -1.991 54.394 56.287 0.162 0.000 0.937 564 K CB 0.099 32.728 32.500 0.214 0.000 1.002 564 K HN 0.331 nan 8.250 nan 0.000 0.469 565 P HA -0.050 nan 4.420 nan 0.000 0.260 565 P C -0.711 176.623 177.300 0.057 0.000 1.172 565 P CA 0.268 63.405 63.100 0.063 0.000 0.760 565 P CB 0.703 32.458 31.700 0.092 0.000 0.773 566 G N 2.791 111.611 108.800 0.033 0.000 2.521 566 G HA2 0.441 4.408 3.960 0.012 0.000 0.323 566 G HA3 0.441 4.408 3.960 0.012 0.000 0.323 566 G C -0.610 174.306 174.900 0.026 0.000 1.211 566 G CA -0.524 44.594 45.100 0.031 0.000 0.979 566 G HN 0.218 nan 8.290 nan 0.000 0.490 567 K N -0.136 120.278 120.400 0.024 0.000 2.139 567 K HA 0.411 4.738 4.320 0.012 0.000 0.243 567 K C -2.193 174.416 176.600 0.015 0.000 0.983 567 K CA -1.602 54.699 56.287 0.023 0.000 0.890 567 K CB 0.777 33.293 32.500 0.026 0.000 1.090 567 K HN 0.202 nan 8.250 nan 0.000 0.445 568 P HA -0.152 nan 4.420 nan 0.000 0.265 568 P C -0.131 177.171 177.300 0.005 0.000 1.132 568 P CA 1.229 64.335 63.100 0.011 0.000 0.752 568 P CB 0.148 31.856 31.700 0.014 0.000 0.728 569 T N -0.167 114.387 114.554 0.001 0.000 3.252 569 T HA 0.557 4.914 4.350 0.012 0.000 0.286 569 T C 0.522 175.216 174.700 -0.010 0.000 1.013 569 T CA 0.502 62.599 62.100 -0.004 0.000 0.914 569 T CB 0.054 68.920 68.868 -0.003 0.000 1.131 569 T HN 0.685 nan 8.240 nan 0.000 0.529 570 R N 0.545 121.039 120.500 -0.009 0.000 2.736 570 R HA 0.609 4.956 4.340 0.012 0.000 0.250 570 R C -2.612 173.682 176.300 -0.010 0.000 1.098 570 R CA -0.513 55.576 56.100 -0.018 0.000 0.978 570 R CB -0.800 29.483 30.300 -0.028 0.000 1.263 570 R HN 0.027 nan 8.270 nan 0.000 0.460 571 P HA -0.205 nan 4.420 nan 0.000 0.218 571 P C 0.351 177.651 177.300 0.000 0.000 1.154 571 P CA 1.887 64.982 63.100 -0.008 0.000 0.872 571 P CB 0.332 32.023 31.700 -0.015 0.000 0.790 572 N N -1.566 117.136 118.700 0.004 0.000 2.238 572 N HA 0.034 4.781 4.740 0.012 0.000 0.222 572 N C 0.480 176.010 175.510 0.033 0.000 1.133 572 N CA -0.042 53.017 53.050 0.015 0.000 0.854 572 N CB -0.319 38.177 38.487 0.015 0.000 1.041 572 N HN 0.410 nan 8.380 nan 0.000 0.510 573 Q N 0.392 120.213 119.800 0.035 0.000 2.479 573 Q HA 0.312 4.659 4.340 0.012 0.000 0.267 573 Q C 0.185 176.224 176.000 0.065 0.000 1.071 573 Q CA 0.239 56.077 55.803 0.057 0.000 0.935 573 Q CB 0.529 29.292 28.738 0.041 0.000 1.295 573 Q HN 0.243 nan 8.270 nan 0.000 0.476 574 G N 1.685 110.548 108.800 0.105 0.000 3.243 574 G HA2 0.528 4.495 3.960 0.012 0.000 0.248 574 G HA3 0.528 4.495 3.960 0.012 0.000 0.248 574 G C -2.578 172.405 174.900 0.138 0.000 1.267 574 G CA -1.265 43.894 45.100 0.098 0.000 0.906 574 G HN 0.632 nan 8.290 nan 0.000 0.592 575 P HA 0.383 nan 4.420 nan 0.000 0.269 575 P C -0.302 177.109 177.300 0.184 0.000 1.200 575 P CA 0.715 63.919 63.100 0.173 0.000 0.779 575 P CB 0.754 32.550 31.700 0.161 0.000 0.841 576 A N 0.694 123.593 122.820 0.131 0.000 2.599 576 A HA 0.449 4.776 4.320 0.012 0.000 0.294 576 A C -0.621 177.104 177.584 0.236 0.000 1.055 576 A CA -0.372 51.687 52.037 0.038 0.000 0.683 576 A CB 0.463 19.470 19.000 0.011 0.000 1.278 576 A HN 0.743 nan 8.150 nan 0.000 0.412 577 H N -0.263 118.858 119.070 0.084 0.000 3.067 577 H HA 0.359 4.922 4.556 0.012 0.000 0.241 577 H C -0.280 175.147 175.328 0.166 0.000 0.961 577 H CA 0.653 56.802 56.048 0.167 0.000 1.123 577 H CB 1.010 30.883 29.762 0.185 0.000 1.448 577 H HN 0.725 nan 8.280 nan 0.000 0.457 578 F N -0.037 119.875 119.950 -0.063 0.000 2.619 578 F HA 0.519 5.054 4.527 0.012 0.000 0.308 578 F C -1.492 174.167 175.800 -0.237 0.000 1.097 578 F CA -1.194 56.624 58.000 -0.303 0.000 0.953 578 F CB 1.903 40.478 39.000 -0.707 0.000 1.287 578 F HN -0.269 nan 8.300 nan 0.000 0.446 579 E N 2.799 122.835 120.200 -0.273 0.000 2.134 579 E HA 0.458 4.815 4.350 0.012 0.000 0.278 579 E C -1.741 174.735 176.600 -0.205 0.000 0.959 579 E CA -1.029 55.222 56.400 -0.247 0.000 0.783 579 E CB 1.953 31.581 29.700 -0.120 0.000 1.095 579 E HN 0.652 nan 8.360 nan 0.000 0.399 580 L N 3.124 124.255 121.223 -0.154 0.000 2.287 580 L HA 0.268 4.615 4.340 0.012 0.000 0.287 580 L C 0.007 176.768 176.870 -0.181 0.000 1.022 580 L CA -0.089 54.681 54.840 -0.117 0.000 0.814 580 L CB 0.676 42.704 42.059 -0.052 0.000 1.217 580 L HN 0.772 nan 8.230 nan 0.000 0.420 581 H N 3.858 122.870 119.070 -0.098 0.000 3.216 581 H HA 0.252 4.815 4.556 0.012 0.000 0.263 581 H C -0.239 175.091 175.328 0.004 0.000 1.601 581 H CA -0.373 55.657 56.048 -0.029 0.000 1.509 581 H CB -1.053 28.728 29.762 0.031 0.000 1.759 581 H HN 0.642 nan 8.280 nan 0.000 0.533 582 H N 1.068 120.226 119.070 0.146 0.000 2.547 582 H HA 0.004 4.567 4.556 0.012 0.000 0.362 582 H C 1.358 176.672 175.328 -0.024 0.000 1.181 582 H CA 0.188 56.334 56.048 0.164 0.000 1.376 582 H CB 0.706 30.660 29.762 0.320 0.000 1.488 582 H HN 0.872 nan 8.280 nan 0.000 0.583 583 Y N 0.025 120.432 120.300 0.180 0.000 2.365 583 Y HA -0.113 4.444 4.550 0.012 0.000 0.287 583 Y C 1.817 177.656 175.900 -0.101 0.000 1.162 583 Y CA 1.046 59.170 58.100 0.040 0.000 1.260 583 Y CB -0.474 38.015 38.460 0.047 0.000 0.976 583 Y HN 0.491 nan 8.280 nan 0.000 0.548 584 A N 0.525 122.603 122.820 -1.238 0.000 2.169 584 A HA 0.534 4.861 4.320 0.012 0.000 0.212 584 A C 1.329 178.572 177.584 -0.570 0.000 1.153 584 A CA 0.738 52.043 52.037 -1.221 0.000 0.756 584 A CB -0.874 16.719 19.000 -2.345 0.000 0.813 584 A HN 1.014 nan 8.150 nan 0.000 0.471 585 G N -0.957 107.669 108.800 -0.290 0.000 2.340 585 G HA2 0.001 3.968 3.960 0.012 0.000 0.527 585 G HA3 0.001 3.968 3.960 0.012 0.000 0.527 585 G C -1.122 173.773 174.900 -0.008 0.000 1.381 585 G CA -0.807 44.223 45.100 -0.117 0.000 1.001 585 G HN 0.290 nan 8.290 nan 0.000 0.626 586 N N -0.357 118.336 118.700 -0.012 0.000 2.452 586 N HA 0.335 5.083 4.740 0.012 0.000 0.266 586 N C -0.223 175.266 175.510 -0.035 0.000 1.175 586 N CA -0.167 52.873 53.050 -0.017 0.000 0.945 586 N CB 1.640 40.110 38.487 -0.028 0.000 1.063 586 N HN 0.336 nan 8.380 nan 0.000 0.472 587 V N 4.741 124.624 119.914 -0.052 0.000 2.370 587 V HA 0.261 4.388 4.120 0.012 0.000 0.283 587 V C -2.148 173.634 176.094 -0.520 0.000 1.023 587 V CA -1.859 60.303 62.300 -0.231 0.000 0.857 587 V CB 1.556 33.272 31.823 -0.180 0.000 0.985 587 V HN 0.536 nan 8.190 nan 0.000 0.443 588 P HA 0.265 nan 4.420 nan 0.000 0.277 588 P C -1.247 175.716 177.300 -0.561 0.000 1.354 588 P CA 0.017 62.870 63.100 -0.412 0.000 0.891 588 P CB -0.144 31.435 31.700 -0.201 0.000 1.058 589 Y N 0.803 120.768 120.300 -0.558 0.000 2.330 589 Y HA 0.422 4.979 4.550 0.012 0.000 0.336 589 Y C 1.107 176.749 175.900 -0.429 0.000 1.036 589 Y CA -0.384 57.419 58.100 -0.495 0.000 1.125 589 Y CB 1.477 39.546 38.460 -0.651 0.000 1.194 589 Y HN 0.145 nan 8.280 nan 0.000 0.469 590 S N 4.515 120.123 115.700 -0.153 0.000 2.433 590 S HA 0.328 4.806 4.470 0.012 0.000 0.310 590 S C 0.797 175.216 174.600 -0.303 0.000 1.097 590 S CA -0.829 57.128 58.200 -0.405 0.000 1.103 590 S CB -0.047 62.988 63.200 -0.275 0.000 0.992 590 S HN 0.694 nan 8.310 nan 0.000 0.469 591 I N 2.383 122.626 120.570 -0.545 0.000 3.550 591 I HA 0.156 4.333 4.170 0.012 0.000 0.295 591 I C 0.419 176.307 176.117 -0.381 0.000 1.291 591 I CA -0.071 60.549 61.300 -1.134 0.000 1.298 591 I CB -1.024 36.596 38.000 -0.633 0.000 1.026 591 I HN 0.374 nan 8.210 nan 0.000 0.491 592 T N 3.067 117.632 114.554 0.019 0.000 2.765 592 T HA 0.347 4.704 4.350 0.012 0.000 0.284 592 T C 1.241 176.140 174.700 0.332 0.000 0.946 592 T CA 1.001 63.243 62.100 0.237 0.000 1.185 592 T CB 0.617 69.653 68.868 0.281 0.000 0.887 592 T HN 0.792 nan 8.240 nan 0.000 0.532 593 G N 3.183 112.152 108.800 0.283 0.000 2.259 593 G HA2 -0.233 3.734 3.960 0.012 0.000 0.217 593 G HA3 -0.233 3.734 3.960 0.012 0.000 0.217 593 G C 0.980 176.038 174.900 0.263 0.000 1.001 593 G CA 0.004 45.262 45.100 0.263 0.000 0.627 593 G HN 0.654 nan 8.290 nan 0.000 0.501 594 W N 1.048 122.312 121.300 -0.060 0.000 2.290 594 W HA -0.045 4.622 4.660 0.013 0.000 0.318 594 W C 2.628 178.857 176.519 -0.485 0.000 1.248 594 W CA 1.685 58.816 57.345 -0.356 0.000 1.263 594 W CB -1.351 27.932 29.460 -0.296 0.000 1.147 594 W HN 0.390 nan 8.180 nan 0.000 0.494 595 L N 0.055 121.210 121.223 -0.112 0.000 1.989 595 L HA -0.267 4.080 4.340 0.012 0.000 0.211 595 L C 2.636 179.437 176.870 -0.116 0.000 1.071 595 L CA 2.419 57.156 54.840 -0.172 0.000 0.749 595 L CB -1.101 40.902 42.059 -0.093 0.000 0.890 595 L HN 0.158 nan 8.230 nan 0.000 0.431 596 E N -0.068 120.104 120.200 -0.047 0.000 2.106 596 E HA -0.247 4.110 4.350 0.012 0.000 0.192 596 E C 2.027 178.599 176.600 -0.047 0.000 0.984 596 E CA 1.090 57.474 56.400 -0.026 0.000 0.806 596 E CB -0.228 29.478 29.700 0.011 0.000 0.750 596 E HN 0.431 nan 8.360 nan 0.000 0.458 597 K N 0.551 120.904 120.400 -0.079 0.000 2.057 597 K HA -0.109 4.218 4.320 0.012 0.000 0.206 597 K C 2.091 178.620 176.600 -0.120 0.000 1.050 597 K CA 1.396 57.636 56.287 -0.078 0.000 0.935 597 K CB -0.189 32.268 32.500 -0.071 0.000 0.715 597 K HN 0.037 nan 8.250 nan 0.000 0.439 598 N N 1.550 120.060 118.700 -0.318 0.000 2.043 598 N HA -0.142 4.606 4.740 0.012 0.000 0.193 598 N C 0.083 175.553 175.510 -0.066 0.000 1.037 598 N CA 1.306 54.212 53.050 -0.240 0.000 0.851 598 N CB 0.021 38.281 38.487 -0.378 0.000 1.027 598 N HN 0.151 nan 8.380 nan 0.000 0.422 599 K N -0.012 120.345 120.400 -0.073 0.000 2.130 599 K HA 0.202 4.529 4.320 0.012 0.000 0.268 599 K C -1.267 175.330 176.600 -0.005 0.000 0.983 599 K CA -0.617 55.655 56.287 -0.026 0.000 0.893 599 K CB 1.546 34.026 32.500 -0.033 0.000 1.066 599 K HN -0.041 nan 8.250 nan 0.000 0.450 600 D N 4.045 124.455 120.400 0.018 0.000 2.499 600 D HA 0.244 4.891 4.640 0.012 0.000 0.225 600 D C -2.210 174.112 176.300 0.037 0.000 1.124 600 D CA -2.067 51.953 54.000 0.032 0.000 0.938 600 D CB 0.694 41.524 40.800 0.050 0.000 1.014 600 D HN 0.318 nan 8.370 nan 0.000 0.517 601 P HA 0.161 nan 4.420 nan 0.000 0.261 601 P C -0.721 176.604 177.300 0.042 0.000 1.183 601 P CA 0.311 63.428 63.100 0.028 0.000 0.761 601 P CB 0.280 31.992 31.700 0.021 0.000 0.785 602 I N -1.118 119.478 120.570 0.044 0.000 2.743 602 I HA 0.344 4.521 4.170 0.012 0.000 0.292 602 I C -0.663 175.477 176.117 0.037 0.000 1.343 602 I CA -1.318 60.014 61.300 0.054 0.000 1.038 602 I CB 1.969 40.022 38.000 0.089 0.000 1.311 602 I HN -0.076 nan 8.210 nan 0.000 0.426 603 N N 3.671 122.384 118.700 0.022 0.000 2.276 603 N HA -0.039 4.708 4.740 0.012 0.000 0.279 603 N C 0.663 176.177 175.510 0.008 0.000 1.379 603 N CA 0.374 53.426 53.050 0.004 0.000 0.886 603 N CB 0.446 38.926 38.487 -0.011 0.000 1.199 603 N HN 0.589 nan 8.380 nan 0.000 0.493 604 E N 0.842 121.049 120.200 0.011 0.000 2.396 604 E HA -0.214 4.144 4.350 0.012 0.000 0.200 604 E C 1.169 177.771 176.600 0.003 0.000 1.023 604 E CA 0.643 57.053 56.400 0.016 0.000 0.857 604 E CB -0.026 29.682 29.700 0.013 0.000 0.775 604 E HN 0.525 nan 8.360 nan 0.000 0.525 605 N N 0.063 118.758 118.700 -0.009 0.000 2.182 605 N HA -0.080 4.667 4.740 0.012 0.000 0.186 605 N C 1.756 177.241 175.510 -0.041 0.000 1.036 605 N CA 1.015 54.053 53.050 -0.020 0.000 0.850 605 N CB 0.051 38.527 38.487 -0.019 0.000 1.010 605 N HN 0.041 nan 8.380 nan 0.000 0.432 606 V N 1.774 121.658 119.914 -0.050 0.000 2.278 606 V HA -0.249 3.878 4.120 0.012 0.000 0.251 606 V C 2.601 178.598 176.094 -0.162 0.000 1.062 606 V CA 1.494 63.739 62.300 -0.092 0.000 1.038 606 V CB -0.588 31.186 31.823 -0.083 0.000 0.646 606 V HN 0.138 nan 8.190 nan 0.000 0.447 607 V N 0.220 120.055 119.914 -0.131 0.000 2.324 607 V HA -0.314 3.813 4.120 0.012 0.000 0.250 607 V C 2.689 178.731 176.094 -0.086 0.000 1.060 607 V CA 2.140 64.359 62.300 -0.136 0.000 1.042 607 V CB -1.304 30.549 31.823 0.050 0.000 0.650 607 V HN 0.596 nan 8.190 nan 0.000 0.450 608 A N -0.333 122.460 122.820 -0.044 0.000 1.940 608 A HA -0.148 4.179 4.320 0.012 0.000 0.219 608 A C 2.226 179.781 177.584 -0.047 0.000 1.176 608 A CA 1.829 53.851 52.037 -0.025 0.000 0.631 608 A CB -0.470 18.521 19.000 -0.016 0.000 0.814 608 A HN 0.525 nan 8.150 nan 0.000 0.446 609 L N -1.039 120.137 121.223 -0.078 0.000 2.044 609 L HA -0.087 4.260 4.340 0.012 0.000 0.205 609 L C 2.370 179.173 176.870 -0.112 0.000 1.075 609 L CA 0.922 55.713 54.840 -0.082 0.000 0.747 609 L CB -0.504 41.507 42.059 -0.080 0.000 0.903 609 L HN 0.333 nan 8.230 nan 0.000 0.435 610 L N -0.424 120.674 121.223 -0.209 0.000 2.376 610 L HA -0.037 4.310 4.340 0.012 0.000 0.219 610 L C 2.536 179.340 176.870 -0.109 0.000 1.133 610 L CA 0.691 55.369 54.840 -0.271 0.000 0.816 610 L CB -0.806 40.813 42.059 -0.733 0.000 0.933 610 L HN 0.271 nan 8.230 nan 0.000 0.449 611 G N -0.098 108.671 108.800 -0.053 0.000 2.402 611 G HA2 -0.172 3.795 3.960 0.012 0.000 0.216 611 G HA3 -0.172 3.795 3.960 0.012 0.000 0.216 611 G C 1.341 176.251 174.900 0.018 0.000 1.162 611 G CA 0.582 45.711 45.100 0.048 0.000 0.777 611 G HN 0.423 nan 8.290 nan 0.000 0.539 612 A N 0.331 123.143 122.820 -0.014 0.000 2.476 612 A HA 0.579 4.906 4.320 0.012 0.000 0.263 612 A C 1.173 178.740 177.584 -0.029 0.000 1.342 612 A CA 0.409 52.436 52.037 -0.017 0.000 0.926 612 A CB -0.419 18.569 19.000 -0.020 0.000 1.019 612 A HN 0.366 nan 8.150 nan 0.000 0.515 613 S N -0.388 115.293 115.700 -0.032 0.000 2.593 613 S HA 0.197 4.674 4.470 0.012 0.000 0.269 613 S C 1.064 175.638 174.600 -0.043 0.000 1.334 613 S CA -0.267 57.906 58.200 -0.045 0.000 1.015 613 S CB 0.559 63.733 63.200 -0.042 0.000 0.912 613 S HN 0.351 nan 8.310 nan 0.000 0.541 614 K N 1.040 121.403 120.400 -0.061 0.000 2.379 614 K HA 0.142 4.469 4.320 0.012 0.000 0.194 614 K C 0.201 176.758 176.600 -0.070 0.000 1.031 614 K CA 0.182 56.432 56.287 -0.063 0.000 1.037 614 K CB -0.216 32.239 32.500 -0.074 0.000 0.824 614 K HN 0.684 nan 8.250 nan 0.000 0.516 615 E N 1.965 122.118 120.200 -0.078 0.000 2.217 615 E HA 0.082 4.439 4.350 0.012 0.000 0.279 615 E C -2.101 174.456 176.600 -0.071 0.000 1.068 615 E CA -2.401 53.949 56.400 -0.082 0.000 0.882 615 E CB 1.282 30.930 29.700 -0.087 0.000 1.039 615 E HN -0.171 nan 8.360 nan 0.000 0.418 616 P HA -0.222 nan 4.420 nan 0.000 0.218 616 P C 1.136 178.371 177.300 -0.109 0.000 1.154 616 P CA 1.135 64.192 63.100 -0.071 0.000 0.872 616 P CB 0.112 31.776 31.700 -0.060 0.000 0.790 617 L N -1.150 119.970 121.223 -0.172 0.000 2.049 617 L HA -0.081 4.266 4.340 0.012 0.000 0.203 617 L C 2.143 178.872 176.870 -0.235 0.000 1.074 617 L CA 1.463 56.114 54.840 -0.316 0.000 0.749 617 L CB -1.038 40.744 42.059 -0.463 0.000 0.907 617 L HN -0.236 nan 8.230 nan 0.000 0.439 618 V N 0.733 120.579 119.914 -0.114 0.000 2.439 618 V HA -0.370 3.757 4.120 0.012 0.000 0.253 618 V C 2.817 178.979 176.094 0.113 0.000 1.074 618 V CA 1.696 64.022 62.300 0.044 0.000 1.076 618 V CB -1.533 30.329 31.823 0.065 0.000 0.664 618 V HN 0.644 nan 8.190 nan 0.000 0.461 619 A N -0.385 122.445 122.820 0.017 0.000 1.858 619 A HA -0.243 4.084 4.320 0.012 0.000 0.216 619 A C 2.215 179.812 177.584 0.022 0.000 1.190 619 A CA 1.872 53.929 52.037 0.033 0.000 0.617 619 A CB -0.475 18.521 19.000 -0.006 0.000 0.827 619 A HN 0.605 nan 8.150 nan 0.000 0.443 620 E N -0.089 120.081 120.200 -0.050 0.000 2.077 620 E HA -0.170 4.187 4.350 0.012 0.000 0.193 620 E C 1.946 178.493 176.600 -0.088 0.000 0.989 620 E CA 1.206 57.577 56.400 -0.049 0.000 0.800 620 E CB -0.386 29.275 29.700 -0.065 0.000 0.746 620 E HN 0.641 nan 8.360 nan 0.000 0.452 621 L N -0.401 120.712 121.223 -0.183 0.000 2.187 621 L HA -0.154 4.194 4.340 0.012 0.000 0.213 621 L C 0.987 177.492 176.870 -0.609 0.000 1.100 621 L CA 1.024 55.629 54.840 -0.391 0.000 0.765 621 L CB -0.118 41.675 42.059 -0.444 0.000 0.904 621 L HN 0.073 nan 8.230 nan 0.000 0.437 622 F N -0.214 119.721 119.950 -0.026 0.000 2.749 622 F HA 0.212 4.747 4.527 0.012 0.000 0.380 622 F C 0.676 176.473 175.800 -0.005 0.000 1.365 622 F CA -0.997 56.999 58.000 -0.007 0.000 1.186 622 F CB 0.175 39.171 39.000 -0.006 0.000 1.080 622 F HN -0.096 nan 8.300 nan 0.000 0.513 623 K N 0.403 120.861 120.400 0.097 0.000 2.126 623 K HA 0.780 5.107 4.320 0.012 0.000 0.257 623 K C -0.103 176.533 176.600 0.060 0.000 1.007 623 K CA -0.635 55.694 56.287 0.070 0.000 0.928 623 K CB 1.450 33.972 32.500 0.038 0.000 1.013 623 K HN 0.094 nan 8.250 nan 0.000 0.473 624 A N 3.460 126.309 122.820 0.049 0.000 2.320 624 A HA 0.316 4.643 4.320 0.012 0.000 0.287 624 A C -1.529 176.071 177.584 0.027 0.000 1.181 624 A CA -1.286 50.775 52.037 0.040 0.000 0.831 624 A CB -0.293 18.728 19.000 0.035 0.000 1.102 624 A HN 0.841 nan 8.150 nan 0.000 0.513 625 P HA 0.311 nan 4.420 nan 0.000 0.207 625 P C 0.739 178.047 177.300 0.014 0.000 1.072 625 P CA 1.470 64.581 63.100 0.018 0.000 0.798 625 P CB 0.075 31.787 31.700 0.019 0.000 0.570 644 T N -0.658 113.924 114.554 0.045 0.000 2.934 644 T HA 0.729 5.086 4.350 0.012 0.000 0.283 644 T C 1.396 176.150 174.700 0.090 0.000 1.005 644 T CA 0.113 62.244 62.100 0.051 0.000 1.041 644 T CB 0.634 69.521 68.868 0.030 0.000 1.042 644 T HN 0.694 nan 8.240 nan 0.000 0.505 645 I N 2.082 122.718 120.570 0.110 0.000 2.068 645 I HA -0.265 3.912 4.170 0.012 0.000 0.238 645 I C 3.042 179.275 176.117 0.193 0.000 1.046 645 I CA 2.349 63.742 61.300 0.155 0.000 1.306 645 I CB -0.631 37.489 38.000 0.200 0.000 1.023 645 I HN 0.944 nan 8.210 nan 0.000 0.399 646 S N 1.213 117.064 115.700 0.251 0.000 2.380 646 S HA -0.285 4.193 4.470 0.012 0.000 0.229 646 S C 2.109 176.820 174.600 0.186 0.000 1.043 646 S CA 1.324 59.672 58.200 0.247 0.000 1.038 646 S CB -0.881 62.484 63.200 0.276 0.000 0.872 646 S HN 0.491 nan 8.310 nan 0.000 0.456 647 A N 0.618 123.521 122.820 0.139 0.000 2.016 647 A HA 0.261 4.588 4.320 0.012 0.000 0.217 647 A C 2.357 180.011 177.584 0.115 0.000 1.162 647 A CA 1.032 53.135 52.037 0.109 0.000 0.662 647 A CB -0.723 18.321 19.000 0.074 0.000 0.812 647 A HN 0.429 nan 8.150 nan 0.000 0.450 648 V N -1.010 118.985 119.914 0.135 0.000 2.302 648 V HA -0.186 3.941 4.120 0.012 0.000 0.243 648 V C 2.407 178.603 176.094 0.170 0.000 1.036 648 V CA 2.383 64.763 62.300 0.132 0.000 1.020 648 V CB -0.655 31.246 31.823 0.130 0.000 0.657 648 V HN 0.785 nan 8.190 nan 0.000 0.453 649 H N 1.453 120.595 119.070 0.119 0.000 2.290 649 H HA -0.197 4.366 4.556 0.012 0.000 0.298 649 H C 2.401 177.822 175.328 0.154 0.000 1.087 649 H CA 2.455 58.591 56.048 0.145 0.000 1.291 649 H CB -0.192 29.646 29.762 0.127 0.000 1.369 649 H HN 0.453 nan 8.280 nan 0.000 0.492 650 R N 0.146 120.751 120.500 0.176 0.000 2.200 650 R HA -0.138 4.209 4.340 0.012 0.000 0.234 650 R C 1.919 178.252 176.300 0.055 0.000 1.127 650 R CA 1.790 57.974 56.100 0.140 0.000 0.989 650 R CB -0.182 30.236 30.300 0.196 0.000 0.869 650 R HN 0.373 nan 8.270 nan 0.000 0.459 651 E N 1.690 121.923 120.200 0.055 0.000 2.021 651 E HA -0.111 4.246 4.350 0.012 0.000 0.189 651 E C 1.890 178.504 176.600 0.024 0.000 0.980 651 E CA 1.745 58.170 56.400 0.043 0.000 0.803 651 E CB 0.093 29.826 29.700 0.055 0.000 0.766 651 E HN 0.449 nan 8.360 nan 0.000 0.449 652 S N -0.025 115.693 115.700 0.031 0.000 2.555 652 S HA -0.039 4.438 4.470 0.012 0.000 0.230 652 S C 1.863 176.489 174.600 0.043 0.000 0.978 652 S CA 0.360 58.605 58.200 0.074 0.000 0.934 652 S CB -0.107 63.175 63.200 0.136 0.000 0.766 652 S HN 0.335 nan 8.310 nan 0.000 0.533 653 L N 0.881 122.028 121.223 -0.127 0.000 2.202 653 L HA 0.114 4.461 4.340 0.012 0.000 0.205 653 L C 2.305 179.096 176.870 -0.131 0.000 1.083 653 L CA 0.651 55.344 54.840 -0.246 0.000 0.790 653 L CB -0.387 41.456 42.059 -0.359 0.000 0.942 653 L HN 0.268 nan 8.230 nan 0.000 0.452 654 N N 0.682 119.347 118.700 -0.058 0.000 2.149 654 N HA -0.273 4.474 4.740 0.012 0.000 0.188 654 N C 1.679 177.175 175.510 -0.023 0.000 1.019 654 N CA 1.451 54.485 53.050 -0.026 0.000 0.857 654 N CB -0.055 38.434 38.487 0.004 0.000 0.997 654 N HN 0.355 nan 8.380 nan 0.000 0.426 655 K N 0.773 121.170 120.400 -0.005 0.000 1.991 655 K HA -0.167 4.160 4.320 0.012 0.000 0.212 655 K C 2.071 178.667 176.600 -0.007 0.000 1.049 655 K CA 0.977 57.276 56.287 0.021 0.000 0.932 655 K CB -0.351 32.184 32.500 0.060 0.000 0.717 655 K HN -0.026 nan 8.250 nan 0.000 0.441 656 L N 1.545 122.735 121.223 -0.055 0.000 1.941 656 L HA -0.267 4.080 4.340 0.012 0.000 0.224 656 L C 2.261 178.988 176.870 -0.239 0.000 1.081 656 L CA 2.085 56.796 54.840 -0.215 0.000 0.784 656 L CB -0.894 40.945 42.059 -0.368 0.000 0.894 656 L HN 0.369 nan 8.230 nan 0.000 0.436 657 M N -0.469 119.005 119.600 -0.210 0.000 2.116 657 M HA -0.294 4.193 4.480 0.012 0.000 0.255 657 M C 2.203 178.534 176.300 0.052 0.000 1.075 657 M CA 1.818 57.045 55.300 -0.120 0.000 1.087 657 M CB -1.462 31.145 32.600 0.011 0.000 1.340 657 M HN 0.338 nan 8.290 nan 0.000 0.402 658 K N -0.131 120.280 120.400 0.018 0.000 2.209 658 K HA -0.120 4.207 4.320 0.012 0.000 0.204 658 K C 1.770 178.423 176.600 0.088 0.000 1.048 658 K CA 1.267 57.583 56.287 0.049 0.000 0.940 658 K CB -0.202 32.311 32.500 0.022 0.000 0.729 658 K HN 0.552 nan 8.250 nan 0.000 0.451 659 N N 0.533 119.264 118.700 0.051 0.000 2.124 659 N HA -0.062 4.685 4.740 0.012 0.000 0.188 659 N C 1.791 177.346 175.510 0.074 0.000 1.045 659 N CA 0.633 53.759 53.050 0.127 0.000 0.846 659 N CB -0.098 38.496 38.487 0.177 0.000 1.020 659 N HN -0.029 nan 8.380 nan 0.000 0.432 660 L N 0.299 121.427 121.223 -0.159 0.000 2.103 660 L HA -0.257 4.090 4.340 0.012 0.000 0.215 660 L C 1.857 178.546 176.870 -0.302 0.000 1.080 660 L CA 1.492 56.089 54.840 -0.405 0.000 0.764 660 L CB -0.589 40.846 42.059 -1.040 0.000 0.890 660 L HN 0.322 nan 8.230 nan 0.000 0.435 661 Y N -0.523 119.658 120.300 -0.198 0.000 2.571 661 Y HA -0.117 4.441 4.550 0.012 0.000 0.294 661 Y C 2.394 178.389 175.900 0.160 0.000 1.141 661 Y CA 0.981 59.153 58.100 0.121 0.000 1.308 661 Y CB -0.093 38.397 38.460 0.050 0.000 1.002 661 Y HN 0.231 nan 8.280 nan 0.000 0.551 662 S N -1.236 114.607 115.700 0.238 0.000 2.573 662 S HA 0.248 4.725 4.470 0.012 0.000 0.244 662 S C 0.351 175.044 174.600 0.154 0.000 0.984 662 S CA 0.048 58.366 58.200 0.197 0.000 1.001 662 S CB -0.688 62.623 63.200 0.185 0.000 0.788 662 S HN 0.255 nan 8.310 nan 0.000 0.456 663 T N -1.833 112.813 114.554 0.153 0.000 2.778 663 T HA 0.498 4.856 4.350 0.012 0.000 0.293 663 T C -1.388 173.391 174.700 0.132 0.000 1.144 663 T CA -0.727 61.426 62.100 0.088 0.000 1.010 663 T CB 1.215 70.100 68.868 0.028 0.000 1.325 663 T HN 0.228 nan 8.240 nan 0.000 0.515 664 H N 1.389 120.417 119.070 -0.070 0.000 2.623 664 H HA 0.591 5.155 4.556 0.012 0.000 0.299 664 H C -2.773 172.350 175.328 -0.342 0.000 1.052 664 H CA -2.007 53.937 56.048 -0.173 0.000 1.231 664 H CB 0.838 30.520 29.762 -0.133 0.000 1.389 664 H HN 0.326 nan 8.280 nan 0.000 0.469 665 P HA 0.093 nan 4.420 nan 0.000 0.271 665 P C -0.881 175.636 177.300 -1.306 0.000 1.238 665 P CA 0.553 63.129 63.100 -0.874 0.000 0.794 665 P CB 0.502 31.648 31.700 -0.923 0.000 0.959 666 H N -0.131 118.417 119.070 -0.870 0.000 3.151 666 H HA 0.274 4.838 4.556 0.013 0.000 0.333 666 H C -1.281 173.659 175.328 -0.647 0.000 1.093 666 H CA -0.152 55.613 56.048 -0.472 0.000 1.342 666 H CB 0.406 30.005 29.762 -0.272 0.000 1.983 666 H HN 0.233 nan 8.280 nan 0.000 0.503 667 F N 1.399 121.473 119.950 0.207 0.000 2.507 667 F HA 0.409 4.944 4.527 0.012 0.000 0.328 667 F C 0.136 176.074 175.800 0.229 0.000 1.136 667 F CA -0.856 57.284 58.000 0.234 0.000 0.930 667 F CB 1.852 41.047 39.000 0.325 0.000 1.166 667 F HN 0.092 nan 8.300 nan 0.000 0.436 668 V N 4.385 124.455 119.914 0.260 0.000 2.313 668 V HA 0.460 4.588 4.120 0.012 0.000 0.278 668 V C -0.119 176.029 176.094 0.089 0.000 1.017 668 V CA -0.872 61.526 62.300 0.164 0.000 0.823 668 V CB 1.070 32.953 31.823 0.100 0.000 1.010 668 V HN 0.557 nan 8.190 nan 0.000 0.443 669 R N 2.873 123.385 120.500 0.020 0.000 2.205 669 R HA 0.386 4.734 4.340 0.012 0.000 0.342 669 R C -0.588 175.685 176.300 -0.046 0.000 1.058 669 R CA -0.245 55.798 56.100 -0.095 0.000 0.904 669 R CB 1.061 31.173 30.300 -0.314 0.000 1.089 669 R HN 0.651 nan 8.270 nan 0.000 0.471 670 C N 4.695 123.979 119.300 -0.027 0.000 2.536 670 C HA 0.553 5.020 4.460 0.012 0.000 0.396 670 C C 0.875 175.836 174.990 -0.047 0.000 1.279 670 C CA -0.437 58.570 59.018 -0.018 0.000 2.148 670 C CB -0.217 27.521 27.740 -0.004 0.000 2.584 670 C HN 0.632 nan 8.230 nan 0.000 0.579 671 I N 4.831 125.365 120.570 -0.060 0.000 2.569 671 I HA 0.371 4.548 4.170 0.012 0.000 0.290 671 I C -0.298 175.769 176.117 -0.083 0.000 1.088 671 I CA -0.501 60.752 61.300 -0.079 0.000 1.047 671 I CB 1.515 39.450 38.000 -0.108 0.000 1.237 671 I HN 0.499 nan 8.210 nan 0.000 0.421 672 I N 3.736 124.279 120.570 -0.044 0.000 2.342 672 I HA 0.383 4.560 4.170 0.012 0.000 0.291 672 I C -2.360 173.735 176.117 -0.038 0.000 1.010 672 I CA -2.184 59.122 61.300 0.009 0.000 1.308 672 I CB 0.755 38.796 38.000 0.069 0.000 1.400 672 I HN 0.289 nan 8.210 nan 0.000 0.488 673 P HA -0.068 nan 4.420 nan 0.000 0.214 673 P C -0.359 176.908 177.300 -0.055 0.000 1.162 673 P CA 1.357 64.370 63.100 -0.145 0.000 0.874 673 P CB 0.271 31.845 31.700 -0.211 0.000 0.784 674 N N -2.881 115.810 118.700 -0.015 0.000 2.972 674 N HA 0.208 4.955 4.740 0.012 0.000 0.262 674 N C -0.791 174.682 175.510 -0.063 0.000 1.478 674 N CA -0.775 52.247 53.050 -0.046 0.000 0.841 674 N CB 0.395 38.848 38.487 -0.055 0.000 1.512 674 N HN -0.304 nan 8.380 nan 0.000 0.548 675 E N 0.246 120.405 120.200 -0.069 0.000 2.462 675 E HA 0.264 4.621 4.350 0.012 0.000 0.255 675 E C -0.212 176.330 176.600 -0.096 0.000 1.311 675 E CA 0.059 56.420 56.400 -0.065 0.000 1.629 675 E CB -0.071 29.602 29.700 -0.044 0.000 1.510 675 E HN 0.538 nan 8.360 nan 0.000 0.438 676 L N -0.533 120.590 121.223 -0.167 0.000 3.664 676 L HA 0.150 4.497 4.340 0.012 0.000 0.341 676 L C 0.511 177.196 176.870 -0.308 0.000 1.247 676 L CA -0.177 54.556 54.840 -0.178 0.000 1.133 676 L CB 0.332 42.314 42.059 -0.127 0.000 1.498 676 L HN 0.051 nan 8.230 nan 0.000 0.628 677 K N 0.332 120.371 120.400 -0.602 0.000 3.185 677 K HA -0.262 4.065 4.320 0.012 0.000 0.298 677 K C 0.456 176.565 176.600 -0.819 0.000 1.178 677 K CA 0.964 56.538 56.287 -1.188 0.000 0.882 677 K CB -0.984 31.254 32.500 -0.437 0.000 1.218 677 K HN 0.422 nan 8.250 nan 0.000 0.454 678 Q N 0.742 120.264 119.800 -0.463 0.000 2.293 678 Q HA 0.150 4.497 4.340 0.012 0.000 0.263 678 Q C -2.461 173.510 176.000 -0.049 0.000 1.002 678 Q CA -1.962 53.734 55.803 -0.178 0.000 0.910 678 Q CB 0.913 29.588 28.738 -0.105 0.000 1.185 678 Q HN -0.054 nan 8.270 nan 0.000 0.401 679 P HA 0.100 nan 4.420 nan 0.000 0.275 679 P C 0.346 177.698 177.300 0.088 0.000 1.227 679 P CA 0.451 63.642 63.100 0.152 0.000 0.781 679 P CB 1.132 32.890 31.700 0.096 0.000 0.906 680 G N 1.574 110.438 108.800 0.107 0.000 2.363 680 G HA2 -0.279 3.688 3.960 0.012 0.000 0.238 680 G HA3 -0.279 3.688 3.960 0.012 0.000 0.238 680 G C -0.029 175.011 174.900 0.235 0.000 1.062 680 G CA -0.027 45.106 45.100 0.056 0.000 0.629 680 G HN 0.598 nan 8.290 nan 0.000 0.514 681 L N 1.926 123.258 121.223 0.181 0.000 2.462 681 L HA 0.578 4.925 4.340 0.012 0.000 0.272 681 L C 0.170 177.113 176.870 0.123 0.000 1.166 681 L CA -0.000 54.906 54.840 0.110 0.000 0.880 681 L CB 1.284 43.364 42.059 0.035 0.000 1.142 681 L HN 0.219 nan 8.230 nan 0.000 0.473 682 V N 5.060 125.020 119.914 0.076 0.000 2.376 682 V HA 0.281 4.409 4.120 0.012 0.000 0.287 682 V C -0.688 175.402 176.094 -0.007 0.000 1.015 682 V CA -0.752 61.560 62.300 0.020 0.000 0.834 682 V CB 1.487 33.331 31.823 0.036 0.000 1.001 682 V HN 0.716 nan 8.190 nan 0.000 0.428 683 D N 4.076 124.456 120.400 -0.032 0.000 2.411 683 D HA 0.502 5.149 4.640 0.012 0.000 0.225 683 D C 0.983 177.254 176.300 -0.049 0.000 1.156 683 D CA 0.280 54.257 54.000 -0.039 0.000 0.874 683 D CB 1.889 42.661 40.800 -0.047 0.000 1.034 683 D HN 0.541 nan 8.370 nan 0.000 0.502 684 A N 4.220 127.013 122.820 -0.045 0.000 1.859 684 A HA -0.251 4.076 4.320 0.012 0.000 0.217 684 A C 1.946 179.488 177.584 -0.071 0.000 1.198 684 A CA 1.848 53.852 52.037 -0.055 0.000 0.629 684 A CB -0.654 18.311 19.000 -0.059 0.000 0.830 684 A HN 0.708 nan 8.150 nan 0.000 0.446 685 E N -0.970 119.179 120.200 -0.084 0.000 2.070 685 E HA -0.243 4.114 4.350 0.012 0.000 0.197 685 E C 1.911 178.471 176.600 -0.067 0.000 1.004 685 E CA 1.498 57.843 56.400 -0.092 0.000 0.805 685 E CB -0.232 29.401 29.700 -0.110 0.000 0.744 685 E HN 0.469 nan 8.360 nan 0.000 0.451 686 L N 0.122 121.301 121.223 -0.074 0.000 2.012 686 L HA -0.163 4.184 4.340 0.012 0.000 0.210 686 L C 2.208 179.070 176.870 -0.014 0.000 1.073 686 L CA 1.532 56.338 54.840 -0.057 0.000 0.748 686 L CB -0.605 41.415 42.059 -0.064 0.000 0.891 686 L HN 0.047 nan 8.230 nan 0.000 0.431 687 V N -0.527 119.364 119.914 -0.039 0.000 2.307 687 V HA -0.268 3.859 4.120 0.012 0.000 0.245 687 V C 2.620 178.697 176.094 -0.029 0.000 1.045 687 V CA 1.788 64.059 62.300 -0.048 0.000 1.024 687 V CB -0.477 31.302 31.823 -0.073 0.000 0.651 687 V HN 0.430 nan 8.190 nan 0.000 0.449 688 L N -0.653 120.557 121.223 -0.022 0.000 2.043 688 L HA -0.271 4.076 4.340 0.012 0.000 0.212 688 L C 2.561 179.430 176.870 -0.001 0.000 1.075 688 L CA 2.065 56.896 54.840 -0.015 0.000 0.752 688 L CB -0.738 41.298 42.059 -0.038 0.000 0.891 688 L HN 0.454 nan 8.230 nan 0.000 0.432 689 H N 0.135 119.148 119.070 -0.094 0.000 2.253 689 H HA -0.215 4.348 4.556 0.012 0.000 0.296 689 H C 2.351 177.617 175.328 -0.104 0.000 1.074 689 H CA 2.220 58.207 56.048 -0.102 0.000 1.263 689 H CB -0.141 29.557 29.762 -0.107 0.000 1.363 689 H HN 0.273 nan 8.280 nan 0.000 0.489 690 Q N -0.015 119.773 119.800 -0.020 0.000 2.012 690 Q HA -0.227 4.120 4.340 0.012 0.000 0.211 690 Q C 2.622 178.537 176.000 -0.141 0.000 1.009 690 Q CA 2.087 57.834 55.803 -0.092 0.000 0.866 690 Q CB -0.499 28.204 28.738 -0.058 0.000 0.945 690 Q HN 0.465 nan 8.270 nan 0.000 0.414 691 L N 0.443 121.597 121.223 -0.115 0.000 2.103 691 L HA -0.329 4.018 4.340 0.012 0.000 0.215 691 L C 2.708 179.499 176.870 -0.131 0.000 1.080 691 L CA 1.683 56.451 54.840 -0.121 0.000 0.764 691 L CB -0.583 41.431 42.059 -0.074 0.000 0.890 691 L HN 0.337 nan 8.230 nan 0.000 0.435 692 Q N 0.169 119.876 119.800 -0.156 0.000 1.975 692 Q HA -0.199 4.148 4.340 0.012 0.000 0.205 692 Q C 2.168 178.022 176.000 -0.242 0.000 0.990 692 Q CA 2.565 58.255 55.803 -0.189 0.000 0.845 692 Q CB -0.257 28.328 28.738 -0.255 0.000 0.913 692 Q HN 0.671 nan 8.270 nan 0.000 0.420 693 C N 0.272 119.365 119.300 -0.344 0.000 2.626 693 C HA 0.293 4.760 4.460 0.012 0.000 0.266 693 C C 1.982 176.892 174.990 -0.133 0.000 1.317 693 C CA -0.123 58.652 59.018 -0.404 0.000 1.716 693 C CB -1.833 25.617 27.740 -0.483 0.000 1.819 693 C HN 0.599 nan 8.230 nan 0.000 0.578 694 N N 1.354 119.965 118.700 -0.148 0.000 2.106 694 N HA 0.125 4.872 4.740 0.012 0.000 0.188 694 N C 1.617 176.981 175.510 -0.244 0.000 1.029 694 N CA 2.502 55.443 53.050 -0.181 0.000 0.848 694 N CB -0.054 38.291 38.487 -0.237 0.000 1.007 694 N HN 0.508 nan 8.380 nan 0.000 0.423 695 G N -1.579 107.103 108.800 -0.197 0.000 2.421 695 G HA2 -0.245 3.722 3.960 0.012 0.000 0.188 695 G HA3 -0.245 3.722 3.960 0.012 0.000 0.188 695 G C 1.030 175.880 174.900 -0.083 0.000 1.001 695 G CA 0.409 45.402 45.100 -0.179 0.000 0.693 695 G HN 0.476 nan 8.290 nan 0.000 0.479 696 V N 0.255 120.018 119.914 -0.252 0.000 2.237 696 V HA 0.050 4.177 4.120 0.012 0.000 0.245 696 V C 2.669 178.841 176.094 0.130 0.000 1.046 696 V CA 2.152 64.484 62.300 0.054 0.000 1.007 696 V CB -1.132 30.638 31.823 -0.088 0.000 0.638 696 V HN 0.328 nan 8.190 nan 0.000 0.445 697 L N -0.020 121.226 121.223 0.038 0.000 2.127 697 L HA -0.122 4.225 4.340 0.012 0.000 0.211 697 L C 3.014 179.920 176.870 0.061 0.000 1.089 697 L CA 1.744 56.610 54.840 0.043 0.000 0.757 697 L CB -0.713 41.352 42.059 0.010 0.000 0.899 697 L HN 0.413 nan 8.230 nan 0.000 0.434 698 E N -0.054 120.195 120.200 0.081 0.000 2.076 698 E HA -0.076 4.281 4.350 0.012 0.000 0.190 698 E C 2.272 178.915 176.600 0.071 0.000 0.979 698 E CA 1.110 57.558 56.400 0.081 0.000 0.807 698 E CB -0.332 29.438 29.700 0.118 0.000 0.761 698 E HN 0.477 nan 8.360 nan 0.000 0.454 699 G N 1.729 110.625 108.800 0.160 0.000 2.485 699 G HA2 -0.218 3.749 3.960 0.012 0.000 0.221 699 G HA3 -0.218 3.749 3.960 0.012 0.000 0.221 699 G C 1.530 176.468 174.900 0.062 0.000 1.115 699 G CA 0.435 45.653 45.100 0.196 0.000 0.751 699 G HN 0.121 nan 8.290 nan 0.000 0.567 700 I N 0.503 121.117 120.570 0.074 0.000 2.333 700 I HA -0.006 4.171 4.170 0.012 0.000 0.246 700 I C 2.628 178.750 176.117 0.008 0.000 1.106 700 I CA 0.771 62.098 61.300 0.044 0.000 1.411 700 I CB -0.895 37.141 38.000 0.060 0.000 1.082 700 I HN 0.209 nan 8.210 nan 0.000 0.420 701 R N 1.711 122.213 120.500 0.003 0.000 2.062 701 R HA -0.158 4.189 4.340 0.012 0.000 0.231 701 R C 2.357 178.610 176.300 -0.079 0.000 1.136 701 R CA 1.723 57.817 56.100 -0.010 0.000 0.948 701 R CB -0.561 29.747 30.300 0.013 0.000 0.845 701 R HN 0.350 nan 8.270 nan 0.000 0.430 702 I N 0.324 120.781 120.570 -0.188 0.000 2.361 702 I HA -0.233 3.944 4.170 0.012 0.000 0.251 702 I C 2.082 177.870 176.117 -0.548 0.000 1.133 702 I CA 1.636 62.644 61.300 -0.487 0.000 1.413 702 I CB -1.396 36.093 38.000 -0.852 0.000 1.073 702 I HN 0.286 nan 8.210 nan 0.000 0.424 703 C N 1.586 120.700 119.300 -0.311 0.000 2.464 703 C HA 0.012 4.480 4.460 0.012 0.000 0.278 703 C C 3.053 178.050 174.990 0.011 0.000 1.375 703 C CA 0.660 59.602 59.018 -0.127 0.000 1.761 703 C CB -1.245 26.449 27.740 -0.076 0.000 1.944 703 C HN 0.593 nan 8.230 nan 0.000 0.509 704 R N 1.492 121.996 120.500 0.006 0.000 2.115 704 R HA -0.116 4.231 4.340 0.012 0.000 0.230 704 R C 2.102 178.441 176.300 0.064 0.000 1.111 704 R CA 1.576 57.706 56.100 0.052 0.000 0.976 704 R CB -0.241 30.088 30.300 0.049 0.000 0.870 704 R HN 0.701 nan 8.270 nan 0.000 0.445 705 K N -0.772 119.673 120.400 0.074 0.000 2.574 705 K HA 0.050 4.377 4.320 0.012 0.000 0.193 705 K C 0.867 177.524 176.600 0.095 0.000 1.035 705 K CA 0.857 57.206 56.287 0.103 0.000 0.982 705 K CB 0.351 32.941 32.500 0.150 0.000 0.795 705 K HN 0.192 nan 8.250 nan 0.000 0.491 706 G N 0.800 109.627 108.800 0.044 0.000 3.134 706 G HA2 0.397 4.364 3.960 0.012 0.000 0.158 706 G HA3 0.397 4.364 3.960 0.012 0.000 0.158 706 G C -0.925 173.627 174.900 -0.581 0.000 1.334 706 G CA -0.937 44.024 45.100 -0.232 0.000 1.001 706 G HN 0.202 nan 8.290 nan 0.000 0.600 707 F N 1.461 121.441 119.950 0.049 0.000 2.449 707 F HA 0.322 4.857 4.527 0.012 0.000 0.344 707 F C -1.683 174.255 175.800 0.231 0.000 1.180 707 F CA -1.570 56.486 58.000 0.092 0.000 1.209 707 F CB 2.215 41.230 39.000 0.024 0.000 1.440 707 F HN 0.170 nan 8.300 nan 0.000 0.526 708 P HA -0.177 nan 4.420 nan 0.000 0.207 708 P C 0.064 177.458 177.300 0.157 0.000 0.926 708 P CA 1.195 64.409 63.100 0.190 0.000 0.982 708 P CB -0.019 31.766 31.700 0.143 0.000 0.686 709 S N 1.120 116.908 115.700 0.147 0.000 2.596 709 S HA 0.064 4.541 4.470 0.012 0.000 0.298 709 S C 0.453 175.129 174.600 0.126 0.000 1.255 709 S CA 0.254 58.529 58.200 0.124 0.000 1.083 709 S CB -0.809 62.472 63.200 0.135 0.000 0.837 709 S HN 0.262 nan 8.310 nan 0.000 0.499 710 R N 1.992 122.480 120.500 -0.021 0.000 2.510 710 R HA 0.625 4.972 4.340 0.012 0.000 0.287 710 R C -1.646 174.525 176.300 -0.216 0.000 1.084 710 R CA -0.781 55.156 56.100 -0.271 0.000 0.934 710 R CB 0.631 30.492 30.300 -0.731 0.000 1.201 710 R HN 0.455 nan 8.270 nan 0.000 0.431 711 L N 3.343 124.470 121.223 -0.159 0.000 2.313 711 L HA 0.622 4.969 4.340 0.012 0.000 0.268 711 L C 0.125 176.846 176.870 -0.248 0.000 1.010 711 L CA -1.420 53.380 54.840 -0.066 0.000 0.814 711 L CB 1.984 44.171 42.059 0.213 0.000 1.304 711 L HN 0.645 nan 8.230 nan 0.000 0.441 712 I N -0.116 120.358 120.570 -0.160 0.000 2.336 712 I HA 0.136 4.313 4.170 0.012 0.000 0.292 712 I C 0.567 176.634 176.117 -0.083 0.000 0.991 712 I CA -0.391 60.771 61.300 -0.229 0.000 1.227 712 I CB 0.951 38.882 38.000 -0.115 0.000 1.366 712 I HN 0.569 nan 8.210 nan 0.000 0.466 713 Y N 4.434 124.762 120.300 0.046 0.000 2.218 713 Y HA -0.384 4.173 4.550 0.012 0.000 0.272 713 Y C 2.548 178.526 175.900 0.130 0.000 1.280 713 Y CA 2.011 60.175 58.100 0.106 0.000 1.117 713 Y CB -1.365 37.123 38.460 0.047 0.000 0.924 713 Y HN 0.687 nan 8.280 nan 0.000 0.522 714 S N -0.194 115.626 115.700 0.200 0.000 2.363 714 S HA -0.248 4.229 4.470 0.012 0.000 0.218 714 S C 1.839 176.493 174.600 0.091 0.000 1.035 714 S CA 1.622 59.885 58.200 0.105 0.000 1.043 714 S CB -0.534 62.703 63.200 0.061 0.000 0.986 714 S HN 0.585 nan 8.310 nan 0.000 0.423 715 E N 0.282 120.533 120.200 0.085 0.000 2.130 715 E HA -0.193 4.164 4.350 0.012 0.000 0.196 715 E C 1.810 178.473 176.600 0.104 0.000 0.998 715 E CA 1.187 57.624 56.400 0.062 0.000 0.806 715 E CB -0.305 29.435 29.700 0.066 0.000 0.738 715 E HN 0.444 nan 8.360 nan 0.000 0.459 716 F N 2.435 122.438 119.950 0.089 0.000 2.134 716 F HA -0.224 4.310 4.527 0.012 0.000 0.299 716 F C 2.273 178.149 175.800 0.128 0.000 1.097 716 F CA 1.965 60.088 58.000 0.205 0.000 1.264 716 F CB -0.134 39.032 39.000 0.277 0.000 1.001 716 F HN -0.133 nan 8.300 nan 0.000 0.479 717 K N 0.587 121.054 120.400 0.112 0.000 1.985 717 K HA -0.291 4.036 4.320 0.012 0.000 0.210 717 K C 1.826 178.330 176.600 -0.159 0.000 1.047 717 K CA 1.840 58.104 56.287 -0.038 0.000 0.932 717 K CB -1.129 31.365 32.500 -0.011 0.000 0.716 717 K HN 0.415 nan 8.250 nan 0.000 0.439 718 Q N -0.281 119.436 119.800 -0.139 0.000 2.508 718 Q HA -0.008 4.339 4.340 0.012 0.000 0.214 718 Q C 1.671 177.511 176.000 -0.267 0.000 0.979 718 Q CA 0.950 56.652 55.803 -0.168 0.000 0.911 718 Q CB 0.257 28.924 28.738 -0.117 0.000 0.969 718 Q HN 0.200 nan 8.270 nan 0.000 0.504 719 R N -1.022 119.224 120.500 -0.423 0.000 2.164 719 R HA 0.138 4.486 4.340 0.012 0.000 0.198 719 R C 0.331 176.036 176.300 -0.992 0.000 1.028 719 R CA 0.817 56.459 56.100 -0.763 0.000 1.083 719 R CB 0.246 29.895 30.300 -1.083 0.000 1.026 719 R HN 0.368 nan 8.270 nan 0.000 0.514 720 Y N 0.022 120.056 120.300 -0.443 0.000 2.720 720 Y HA 0.349 4.906 4.550 0.012 0.000 0.277 720 Y C 1.635 177.322 175.900 -0.356 0.000 1.144 720 Y CA -0.342 57.467 58.100 -0.485 0.000 1.221 720 Y CB 0.636 38.584 38.460 -0.853 0.000 1.163 720 Y HN -0.140 nan 8.280 nan 0.000 0.537 721 S N 0.144 115.730 115.700 -0.190 0.000 2.395 721 S HA -0.069 4.409 4.470 0.012 0.000 0.225 721 S C 2.024 176.575 174.600 -0.081 0.000 1.027 721 S CA 0.667 58.799 58.200 -0.114 0.000 0.965 721 S CB -0.095 63.038 63.200 -0.112 0.000 0.812 721 S HN 0.376 nan 8.310 nan 0.000 0.482 722 I N 1.517 122.029 120.570 -0.096 0.000 2.399 722 I HA -0.153 4.024 4.170 0.012 0.000 0.254 722 I C 1.645 177.741 176.117 -0.036 0.000 1.146 722 I CA 1.140 62.401 61.300 -0.066 0.000 1.412 722 I CB -1.046 36.907 38.000 -0.077 0.000 1.076 722 I HN 0.277 nan 8.210 nan 0.000 0.432 723 L N 0.087 121.296 121.223 -0.025 0.000 2.395 723 L HA 0.087 4.435 4.340 0.012 0.000 0.218 723 L C 1.246 178.107 176.870 -0.014 0.000 1.130 723 L CA 0.838 55.672 54.840 -0.011 0.000 0.826 723 L CB -0.492 41.565 42.059 -0.003 0.000 0.941 723 L HN 0.237 nan 8.230 nan 0.000 0.451 724 A N -2.182 120.628 122.820 -0.018 0.000 3.415 724 A HA 0.492 4.819 4.320 0.012 0.000 0.244 724 A C -1.865 175.711 177.584 -0.013 0.000 0.988 724 A CA -0.457 51.574 52.037 -0.010 0.000 0.991 724 A CB -0.078 18.922 19.000 0.000 0.000 1.240 724 A HN 0.034 nan 8.150 nan 0.000 0.541 725 P HA -0.139 nan 4.420 nan 0.000 0.214 725 P C 0.885 178.180 177.300 -0.008 0.000 1.162 725 P CA 1.431 64.521 63.100 -0.017 0.000 0.879 725 P CB -0.037 31.651 31.700 -0.019 0.000 0.786 726 N N -1.079 117.619 118.700 -0.003 0.000 2.666 726 N HA 0.001 4.748 4.740 0.012 0.000 0.194 726 N C 1.106 176.618 175.510 0.003 0.000 1.220 726 N CA 0.519 53.570 53.050 0.002 0.000 0.928 726 N CB -0.159 38.331 38.487 0.005 0.000 0.997 726 N HN 0.155 nan 8.380 nan 0.000 0.447 727 A N -0.093 122.728 122.820 0.001 0.000 2.287 727 A HA 0.269 4.596 4.320 0.012 0.000 0.214 727 A C 0.520 178.106 177.584 0.003 0.000 1.228 727 A CA -0.345 51.694 52.037 0.003 0.000 0.939 727 A CB 0.388 19.392 19.000 0.005 0.000 0.992 727 A HN 0.120 nan 8.150 nan 0.000 0.502 728 I N 2.654 123.224 120.570 -0.001 0.000 2.406 728 I HA 0.165 4.342 4.170 0.012 0.000 0.293 728 I C -2.164 173.954 176.117 0.001 0.000 1.101 728 I CA -1.626 59.672 61.300 -0.003 0.000 1.334 728 I CB 0.573 38.565 38.000 -0.014 0.000 1.421 728 I HN 0.073 nan 8.210 nan 0.000 0.513 729 P HA -0.079 nan 4.420 nan 0.000 0.270 729 P C -0.859 176.450 177.300 0.015 0.000 1.216 729 P CA 0.007 63.113 63.100 0.010 0.000 0.788 729 P CB 0.324 32.031 31.700 0.010 0.000 0.883 730 Q N 0.990 120.803 119.800 0.021 0.000 2.563 730 Q HA 0.535 4.882 4.340 0.012 0.000 0.232 730 Q C 0.276 176.305 176.000 0.049 0.000 1.106 730 Q CA -0.526 55.295 55.803 0.030 0.000 0.913 730 Q CB 0.366 29.119 28.738 0.024 0.000 1.175 730 Q HN 0.658 nan 8.270 nan 0.000 0.540 731 G N 1.283 110.128 108.800 0.075 0.000 5.181 731 G HA2 0.126 4.093 3.960 0.012 0.000 0.208 731 G HA3 0.126 4.093 3.960 0.012 0.000 0.208 731 G C -0.167 174.869 174.900 0.227 0.000 0.786 731 G CA -0.532 44.637 45.100 0.114 0.000 0.803 731 G HN 0.456 nan 8.290 nan 0.000 0.404 732 F N -1.542 118.406 119.950 -0.004 0.000 2.937 732 F HA -0.222 4.312 4.527 0.012 0.000 0.290 732 F C 1.161 176.962 175.800 0.001 0.000 0.802 732 F CA 0.202 58.202 58.000 -0.002 0.000 1.336 732 F CB -1.428 37.570 39.000 -0.003 0.000 1.438 732 F HN 0.633 nan 8.300 nan 0.000 0.469 733 V N 0.686 120.617 119.914 0.028 0.000 3.367 733 V HA 0.142 4.269 4.120 0.012 0.000 0.304 733 V C 0.884 176.951 176.094 -0.045 0.000 1.131 733 V CA 0.523 62.825 62.300 0.003 0.000 1.233 733 V CB 0.265 32.082 31.823 -0.010 0.000 1.021 733 V HN 0.418 nan 8.190 nan 0.000 0.497 734 D N 2.350 122.735 120.400 -0.026 0.000 2.458 734 D HA 0.286 4.933 4.640 0.012 0.000 0.243 734 D C 1.314 177.568 176.300 -0.076 0.000 1.146 734 D CA 0.590 54.565 54.000 -0.042 0.000 0.877 734 D CB 1.055 41.833 40.800 -0.037 0.000 1.176 734 D HN 0.838 nan 8.370 nan 0.000 0.461 735 G N 3.385 112.147 108.800 -0.064 0.000 2.516 735 G HA2 -0.331 3.636 3.960 0.012 0.000 0.221 735 G HA3 -0.331 3.636 3.960 0.012 0.000 0.221 735 G C 1.247 176.083 174.900 -0.107 0.000 1.107 735 G CA 0.850 45.936 45.100 -0.024 0.000 0.747 735 G HN 0.628 nan 8.290 nan 0.000 0.567 736 K N -0.418 119.756 120.400 -0.377 0.000 2.284 736 K HA 0.037 4.364 4.320 0.012 0.000 0.198 736 K C 2.264 178.662 176.600 -0.338 0.000 1.048 736 K CA 1.015 56.811 56.287 -0.818 0.000 0.987 736 K CB 0.096 31.998 32.500 -0.998 0.000 0.800 736 K HN 0.223 nan 8.250 nan 0.000 0.486 737 T N 0.637 115.081 114.554 -0.184 0.000 2.851 737 T HA -0.065 4.293 4.350 0.012 0.000 0.262 737 T C 1.843 176.523 174.700 -0.033 0.000 1.043 737 T CA 1.064 63.111 62.100 -0.089 0.000 1.140 737 T CB -0.060 68.769 68.868 -0.063 0.000 0.872 737 T HN -0.056 nan 8.240 nan 0.000 0.446 738 V N 1.895 121.798 119.914 -0.019 0.000 2.287 738 V HA -0.205 3.922 4.120 0.012 0.000 0.248 738 V C 2.732 178.895 176.094 0.114 0.000 1.053 738 V CA 2.056 64.373 62.300 0.028 0.000 1.027 738 V CB -0.838 30.995 31.823 0.017 0.000 0.646 738 V HN 0.447 nan 8.190 nan 0.000 0.447 739 S N -1.063 114.747 115.700 0.183 0.000 2.357 739 S HA -0.171 4.306 4.470 0.012 0.000 0.221 739 S C 1.966 176.663 174.600 0.161 0.000 1.031 739 S CA 1.043 59.461 58.200 0.363 0.000 0.982 739 S CB -0.325 63.125 63.200 0.416 0.000 0.853 739 S HN 0.588 nan 8.310 nan 0.000 0.458 740 E N 0.826 121.043 120.200 0.028 0.000 2.171 740 E HA -0.173 4.184 4.350 0.012 0.000 0.197 740 E C 2.007 178.629 176.600 0.036 0.000 0.997 740 E CA 0.823 57.231 56.400 0.014 0.000 0.810 740 E CB 0.013 29.695 29.700 -0.031 0.000 0.738 740 E HN 0.152 nan 8.360 nan 0.000 0.467 741 K N 0.806 121.233 120.400 0.045 0.000 2.044 741 K HA 0.011 4.338 4.320 0.012 0.000 0.204 741 K C 2.206 178.840 176.600 0.056 0.000 1.045 741 K CA 0.387 56.698 56.287 0.040 0.000 0.951 741 K CB -0.506 32.010 32.500 0.027 0.000 0.738 741 K HN 0.096 nan 8.250 nan 0.000 0.443 742 I N 1.570 122.202 120.570 0.103 0.000 2.185 742 I HA -0.363 3.814 4.170 0.012 0.000 0.246 742 I C 2.239 178.406 176.117 0.082 0.000 1.088 742 I CA 1.276 62.641 61.300 0.107 0.000 1.347 742 I CB -0.232 37.871 38.000 0.173 0.000 1.041 742 I HN 0.080 nan 8.210 nan 0.000 0.415 743 L N 0.003 121.275 121.223 0.083 0.000 2.005 743 L HA -0.169 4.178 4.340 0.012 0.000 0.207 743 L C 2.876 179.699 176.870 -0.079 0.000 1.072 743 L CA 1.354 56.139 54.840 -0.090 0.000 0.744 743 L CB -0.918 40.934 42.059 -0.347 0.000 0.895 743 L HN 0.220 nan 8.230 nan 0.000 0.433 744 A N 0.659 123.464 122.820 -0.024 0.000 1.873 744 A HA -0.212 4.115 4.320 0.012 0.000 0.218 744 A C 2.391 179.979 177.584 0.007 0.000 1.193 744 A CA 2.184 54.228 52.037 0.011 0.000 0.629 744 A CB -1.550 17.467 19.000 0.028 0.000 0.826 744 A HN 0.473 nan 8.150 nan 0.000 0.447 745 G N -0.931 107.874 108.800 0.008 0.000 2.422 745 G HA2 -0.093 3.874 3.960 0.012 0.000 0.218 745 G HA3 -0.093 3.874 3.960 0.012 0.000 0.218 745 G C 1.403 176.302 174.900 -0.002 0.000 1.140 745 G CA 0.785 45.889 45.100 0.006 0.000 0.775 745 G HN 0.435 nan 8.290 nan 0.000 0.545 746 L N -0.479 120.737 121.223 -0.011 0.000 2.622 746 L HA 0.020 4.367 4.340 0.012 0.000 0.233 746 L C 1.048 177.903 176.870 -0.024 0.000 1.156 746 L CA 0.241 55.066 54.840 -0.024 0.000 0.866 746 L CB 0.012 42.045 42.059 -0.043 0.000 0.980 746 L HN 0.194 nan 8.230 nan 0.000 0.448 747 Q N -0.696 119.097 119.800 -0.012 0.000 2.502 747 Q HA -0.207 4.140 4.340 0.012 0.000 0.273 747 Q C -0.070 175.932 176.000 0.004 0.000 1.127 747 Q CA 0.803 56.607 55.803 0.002 0.000 0.952 747 Q CB -1.442 27.298 28.738 0.003 0.000 1.333 747 Q HN 0.291 nan 8.270 nan 0.000 0.494 748 M N 1.291 120.878 119.600 -0.021 0.000 2.356 748 M HA 0.021 4.509 4.480 0.012 0.000 0.348 748 M C 0.457 176.831 176.300 0.122 0.000 1.595 748 M CA 0.226 55.506 55.300 -0.033 0.000 1.095 748 M CB 0.034 32.468 32.600 -0.276 0.000 1.963 748 M HN 0.112 nan 8.290 nan 0.000 0.459 749 D N 6.772 127.255 120.400 0.138 0.000 2.401 749 D HA 0.127 4.774 4.640 0.012 0.000 0.254 749 D C -1.797 174.662 176.300 0.265 0.000 1.192 749 D CA -1.561 52.536 54.000 0.161 0.000 0.885 749 D CB 1.093 41.953 40.800 0.101 0.000 1.147 749 D HN 0.274 nan 8.370 nan 0.000 0.478 750 P HA -0.214 nan 4.420 nan 0.000 0.217 750 P C 0.812 177.989 177.300 -0.205 0.000 1.148 750 P CA 1.962 65.006 63.100 -0.093 0.000 0.834 750 P CB 0.156 31.806 31.700 -0.083 0.000 0.783 751 A N -0.284 122.516 122.820 -0.034 0.000 1.845 751 A HA -0.236 4.092 4.320 0.012 0.000 0.215 751 A C 2.249 179.833 177.584 0.001 0.000 1.195 751 A CA 1.863 53.896 52.037 -0.007 0.000 0.616 751 A CB -1.462 17.572 19.000 0.057 0.000 0.832 751 A HN 0.071 nan 8.150 nan 0.000 0.443 752 E N -1.423 118.836 120.200 0.099 0.000 2.208 752 E HA -0.167 4.190 4.350 0.012 0.000 0.202 752 E C 0.366 177.045 176.600 0.131 0.000 1.014 752 E CA 1.764 58.256 56.400 0.153 0.000 0.819 752 E CB -0.265 29.544 29.700 0.182 0.000 0.735 752 E HN 0.814 nan 8.360 nan 0.000 0.469 753 Y N -2.982 117.186 120.300 -0.221 0.000 2.705 753 Y HA 0.759 5.316 4.550 0.012 0.000 0.332 753 Y C -0.971 174.510 175.900 -0.698 0.000 1.157 753 Y CA -1.761 56.070 58.100 -0.449 0.000 1.091 753 Y CB 1.124 39.496 38.460 -0.147 0.000 1.301 753 Y HN -0.314 nan 8.280 nan 0.000 0.488 754 R N 0.944 120.901 120.500 -0.906 0.000 2.563 754 R HA 0.507 4.854 4.340 0.012 0.000 0.262 754 R C -2.129 173.933 176.300 -0.396 0.000 1.128 754 R CA -0.695 54.926 56.100 -0.797 0.000 0.969 754 R CB 1.908 31.670 30.300 -0.897 0.000 1.251 754 R HN 0.769 nan 8.270 nan 0.000 0.442 755 L N 2.709 123.800 121.223 -0.220 0.000 2.261 755 L HA 0.500 4.847 4.340 0.012 0.000 0.289 755 L C 1.208 178.125 176.870 0.078 0.000 1.059 755 L CA -0.492 54.356 54.840 0.014 0.000 0.816 755 L CB 1.122 43.242 42.059 0.101 0.000 1.191 755 L HN 0.738 nan 8.230 nan 0.000 0.431 756 G N 1.037 109.947 108.800 0.182 0.000 2.489 756 G HA2 0.261 4.228 3.960 0.012 0.000 0.271 756 G HA3 0.261 4.228 3.960 0.012 0.000 0.271 756 G C 0.903 175.949 174.900 0.243 0.000 1.427 756 G CA 0.405 45.632 45.100 0.213 0.000 1.057 756 G HN 0.639 nan 8.290 nan 0.000 0.532 757 T N -5.110 109.568 114.554 0.206 0.000 2.990 757 T HA 0.087 4.444 4.350 0.012 0.000 0.249 757 T C 1.781 176.631 174.700 0.250 0.000 1.039 757 T CA 1.542 63.763 62.100 0.202 0.000 1.036 757 T CB 0.322 69.255 68.868 0.110 0.000 0.994 757 T HN 0.532 nan 8.240 nan 0.000 0.489 758 T N 0.925 115.583 114.554 0.173 0.000 2.978 758 T HA 0.335 4.692 4.350 0.012 0.000 0.248 758 T C 0.204 174.840 174.700 -0.107 0.000 1.018 758 T CA -0.037 62.120 62.100 0.095 0.000 1.026 758 T CB -0.012 68.877 68.868 0.035 0.000 1.032 758 T HN 0.612 nan 8.240 nan 0.000 0.485 759 K N 0.270 120.487 120.400 -0.306 0.000 2.548 759 K HA 0.615 4.942 4.320 0.012 0.000 0.282 759 K C -1.794 174.332 176.600 -0.791 0.000 1.006 759 K CA -0.845 54.997 56.287 -0.742 0.000 0.892 759 K CB 1.594 33.787 32.500 -0.512 0.000 1.499 759 K HN -0.072 nan 8.250 nan 0.000 0.433 760 V N 2.221 121.567 119.914 -0.947 0.000 2.394 760 V HA 0.496 4.623 4.120 0.012 0.000 0.282 760 V C -1.246 174.359 176.094 -0.815 0.000 1.031 760 V CA -0.591 61.271 62.300 -0.730 0.000 0.881 760 V CB 0.139 31.445 31.823 -0.861 0.000 0.982 760 V HN 0.591 nan 8.190 nan 0.000 0.451 761 F N 6.633 126.144 119.950 -0.732 0.000 2.378 761 F HA 0.742 5.276 4.527 0.012 0.000 0.325 761 F C -0.185 175.067 175.800 -0.913 0.000 1.097 761 F CA -0.591 57.067 58.000 -0.569 0.000 1.079 761 F CB 1.228 40.085 39.000 -0.239 0.000 1.240 761 F HN 0.363 nan 8.300 nan 0.000 0.519 762 F N 0.635 120.593 119.950 0.015 0.000 2.591 762 F HA 0.364 4.898 4.527 0.012 0.000 0.309 762 F C -0.020 175.856 175.800 0.127 0.000 1.098 762 F CA -1.455 56.515 58.000 -0.050 0.000 0.937 762 F CB 1.392 40.366 39.000 -0.042 0.000 1.250 762 F HN 0.156 nan 8.300 nan 0.000 0.447 763 K N 1.237 121.851 120.400 0.357 0.000 2.336 763 K HA 0.460 4.787 4.320 0.012 0.000 0.262 763 K C 0.078 176.829 176.600 0.251 0.000 0.992 763 K CA -0.106 56.414 56.287 0.389 0.000 0.927 763 K CB 0.762 33.445 32.500 0.305 0.000 0.956 763 K HN 0.811 nan 8.250 nan 0.000 0.495 764 A N 0.346 123.284 122.820 0.198 0.000 2.531 764 A HA 0.340 4.667 4.320 0.012 0.000 0.236 764 A C 1.205 178.855 177.584 0.110 0.000 1.062 764 A CA 0.861 52.980 52.037 0.138 0.000 0.760 764 A CB -0.525 18.548 19.000 0.122 0.000 0.995 764 A HN 0.885 nan 8.150 nan 0.000 0.501 765 G N 0.685 109.528 108.800 0.072 0.000 2.186 765 G HA2 -0.269 3.698 3.960 0.012 0.000 0.266 765 G HA3 -0.269 3.698 3.960 0.012 0.000 0.266 765 G C 0.789 175.693 174.900 0.006 0.000 0.982 765 G CA 0.810 45.951 45.100 0.068 0.000 0.670 765 G HN 1.234 nan 8.290 nan 0.000 0.533 766 V N -0.189 119.704 119.914 -0.034 0.000 2.407 766 V HA -0.007 4.120 4.120 0.012 0.000 0.245 766 V C 2.695 178.635 176.094 -0.257 0.000 1.041 766 V CA 1.825 64.058 62.300 -0.112 0.000 1.040 766 V CB -0.435 31.325 31.823 -0.105 0.000 0.671 766 V HN 0.326 nan 8.190 nan 0.000 0.455 767 L N 1.482 122.514 121.223 -0.318 0.000 2.189 767 L HA -0.121 4.226 4.340 0.012 0.000 0.214 767 L C 2.362 179.081 176.870 -0.252 0.000 1.097 767 L CA 2.099 56.725 54.840 -0.358 0.000 0.764 767 L CB -1.299 40.633 42.059 -0.211 0.000 0.900 767 L HN 0.352 nan 8.230 nan 0.000 0.436 768 G N -1.020 107.624 108.800 -0.259 0.000 2.480 768 G HA2 -0.317 3.650 3.960 0.012 0.000 0.216 768 G HA3 -0.317 3.650 3.960 0.012 0.000 0.216 768 G C 1.461 176.324 174.900 -0.061 0.000 1.200 768 G CA 0.999 45.953 45.100 -0.244 0.000 0.782 768 G HN 0.525 nan 8.290 nan 0.000 0.554 769 N N 0.167 118.834 118.700 -0.054 0.000 2.120 769 N HA -0.031 4.716 4.740 0.012 0.000 0.188 769 N C 2.235 177.687 175.510 -0.095 0.000 1.024 769 N CA 0.603 53.626 53.050 -0.045 0.000 0.852 769 N CB -0.201 38.256 38.487 -0.051 0.000 1.003 769 N HN 0.207 nan 8.380 nan 0.000 0.424 770 L N 1.194 122.291 121.223 -0.211 0.000 2.265 770 L HA -0.134 4.213 4.340 0.012 0.000 0.215 770 L C 2.276 179.098 176.870 -0.080 0.000 1.117 770 L CA 0.769 55.422 54.840 -0.312 0.000 0.782 770 L CB -0.174 41.423 42.059 -0.770 0.000 0.914 770 L HN 0.208 nan 8.230 nan 0.000 0.441 771 E N 0.046 120.246 120.200 0.000 0.000 2.021 771 E HA -0.137 4.220 4.350 0.012 0.000 0.189 771 E C 2.031 178.681 176.600 0.082 0.000 0.980 771 E CA 0.827 57.297 56.400 0.115 0.000 0.803 771 E CB -0.099 29.657 29.700 0.093 0.000 0.766 771 E HN 0.482 nan 8.360 nan 0.000 0.449 772 E N 0.775 121.009 120.200 0.056 0.000 2.070 772 E HA -0.183 4.174 4.350 0.012 0.000 0.197 772 E C 2.142 178.757 176.600 0.025 0.000 1.004 772 E CA 1.066 57.491 56.400 0.042 0.000 0.805 772 E CB -0.317 29.403 29.700 0.034 0.000 0.744 772 E HN 0.285 nan 8.360 nan 0.000 0.451 773 M N 0.213 119.820 119.600 0.011 0.000 2.358 773 M HA -0.140 4.348 4.480 0.012 0.000 0.264 773 M C 2.434 178.745 176.300 0.020 0.000 1.064 773 M CA 1.092 56.392 55.300 0.001 0.000 1.093 773 M CB -0.308 32.277 32.600 -0.025 0.000 1.401 773 M HN 0.025 nan 8.290 nan 0.000 0.440 774 R N 0.523 121.054 120.500 0.051 0.000 2.100 774 R HA -0.096 4.251 4.340 0.012 0.000 0.220 774 R C 1.147 177.461 176.300 0.024 0.000 1.091 774 R CA 1.563 57.698 56.100 0.059 0.000 0.986 774 R CB 0.107 30.479 30.300 0.121 0.000 0.888 774 R HN 0.254 nan 8.270 nan 0.000 0.444 775 D N 0.062 120.480 120.400 0.029 0.000 2.137 775 D HA -0.096 4.552 4.640 0.012 0.000 0.202 775 D C 1.555 177.861 176.300 0.010 0.000 0.970 775 D CA 1.091 55.102 54.000 0.018 0.000 0.837 775 D CB 0.197 41.016 40.800 0.032 0.000 0.981 775 D HN 0.291 nan 8.370 nan 0.000 0.475 776 E N 0.379 120.584 120.200 0.009 0.000 2.033 776 E HA -0.217 4.140 4.350 0.012 0.000 0.199 776 E C 2.145 178.747 176.600 0.003 0.000 1.011 776 E CA 0.856 57.258 56.400 0.003 0.000 0.815 776 E CB 0.132 29.832 29.700 -0.000 0.000 0.755 776 E HN 0.083 nan 8.360 nan 0.000 0.451 777 R N 0.527 121.028 120.500 0.002 0.000 2.097 777 R HA -0.181 4.167 4.340 0.012 0.000 0.236 777 R C 2.535 178.834 176.300 -0.001 0.000 1.135 777 R CA 0.983 57.083 56.100 0.001 0.000 0.934 777 R CB -1.280 29.018 30.300 -0.002 0.000 0.846 777 R HN 0.209 nan 8.270 nan 0.000 0.431 778 L N 0.911 122.130 121.223 -0.007 0.000 2.021 778 L HA -0.237 4.111 4.340 0.012 0.000 0.215 778 L C 2.474 179.343 176.870 -0.001 0.000 1.074 778 L CA 2.219 57.051 54.840 -0.014 0.000 0.760 778 L CB -0.841 41.205 42.059 -0.023 0.000 0.889 778 L HN 0.144 nan 8.230 nan 0.000 0.433 779 S N -0.972 114.730 115.700 0.004 0.000 2.353 779 S HA -0.285 4.192 4.470 0.012 0.000 0.222 779 S C 2.173 176.784 174.600 0.019 0.000 1.035 779 S CA 1.857 60.063 58.200 0.011 0.000 1.025 779 S CB -0.338 62.867 63.200 0.008 0.000 0.902 779 S HN 0.500 nan 8.310 nan 0.000 0.440 780 K N 0.500 120.909 120.400 0.015 0.000 2.063 780 K HA -0.085 4.242 4.320 0.012 0.000 0.208 780 K C 2.054 178.675 176.600 0.035 0.000 1.048 780 K CA 1.641 57.940 56.287 0.021 0.000 0.928 780 K CB -0.281 32.227 32.500 0.013 0.000 0.713 780 K HN 0.384 nan 8.250 nan 0.000 0.442 781 I N 1.490 122.079 120.570 0.031 0.000 2.099 781 I HA -0.336 3.841 4.170 0.012 0.000 0.239 781 I C 2.402 178.569 176.117 0.083 0.000 1.066 781 I CA 1.409 62.736 61.300 0.045 0.000 1.324 781 I CB -0.892 37.117 38.000 0.013 0.000 1.037 781 I HN 0.226 nan 8.210 nan 0.000 0.401 782 I N 1.038 121.645 120.570 0.062 0.000 2.087 782 I HA -0.350 3.827 4.170 0.012 0.000 0.240 782 I C 2.752 178.956 176.117 0.144 0.000 1.054 782 I CA 1.882 63.242 61.300 0.099 0.000 1.311 782 I CB -0.918 37.117 38.000 0.058 0.000 1.024 782 I HN 0.254 nan 8.210 nan 0.000 0.402 783 S N 0.463 116.215 115.700 0.088 0.000 2.383 783 S HA -0.189 4.288 4.470 0.012 0.000 0.229 783 S C 1.977 176.626 174.600 0.081 0.000 1.030 783 S CA 1.506 59.748 58.200 0.070 0.000 1.002 783 S CB -0.296 62.928 63.200 0.040 0.000 0.829 783 S HN 0.380 nan 8.310 nan 0.000 0.467 784 M N -0.388 119.270 119.600 0.097 0.000 2.279 784 M HA -0.062 4.425 4.480 0.012 0.000 0.264 784 M C 1.854 178.258 176.300 0.173 0.000 1.062 784 M CA 1.230 56.590 55.300 0.099 0.000 1.099 784 M CB -0.261 32.393 32.600 0.090 0.000 1.394 784 M HN 0.319 nan 8.290 nan 0.000 0.426 785 F N 1.237 121.221 119.950 0.056 0.000 2.149 785 F HA -0.141 4.393 4.527 0.012 0.000 0.294 785 F C 2.326 178.166 175.800 0.067 0.000 1.095 785 F CA 1.504 59.548 58.000 0.073 0.000 1.276 785 F CB -0.399 38.616 39.000 0.026 0.000 1.023 785 F HN 0.092 nan 8.300 nan 0.000 0.480 786 Q N 0.019 119.848 119.800 0.050 0.000 2.181 786 Q HA -0.196 4.151 4.340 0.012 0.000 0.205 786 Q C 2.275 178.232 176.000 -0.072 0.000 0.980 786 Q CA 1.496 57.270 55.803 -0.048 0.000 0.862 786 Q CB -0.544 28.210 28.738 0.027 0.000 0.905 786 Q HN 0.512 nan 8.270 nan 0.000 0.429 787 A N -0.146 122.661 122.820 -0.021 0.000 2.067 787 A HA -0.143 4.184 4.320 0.012 0.000 0.217 787 A C 1.617 179.199 177.584 -0.004 0.000 1.156 787 A CA 0.999 53.027 52.037 -0.014 0.000 0.683 787 A CB -0.468 18.529 19.000 -0.005 0.000 0.808 787 A HN 0.435 nan 8.150 nan 0.000 0.455 788 H N -1.062 117.922 119.070 -0.143 0.000 2.436 788 H HA 0.138 4.701 4.556 0.012 0.000 0.294 788 H C 1.857 177.075 175.328 -0.184 0.000 1.048 788 H CA 0.923 56.886 56.048 -0.142 0.000 1.353 788 H CB 0.046 29.722 29.762 -0.144 0.000 1.414 788 H HN 0.437 nan 8.280 nan 0.000 0.536 789 I N 0.271 120.718 120.570 -0.204 0.000 2.202 789 I HA -0.229 3.948 4.170 0.012 0.000 0.242 789 I C 2.388 178.484 176.117 -0.035 0.000 1.091 789 I CA 1.025 62.183 61.300 -0.237 0.000 1.368 789 I CB -0.119 37.657 38.000 -0.373 0.000 1.058 789 I HN 0.240 nan 8.210 nan 0.000 0.410 790 R N 0.436 120.917 120.500 -0.031 0.000 2.096 790 R HA -0.125 4.222 4.340 0.012 0.000 0.235 790 R C 2.333 178.658 176.300 0.042 0.000 1.127 790 R CA 1.417 57.522 56.100 0.008 0.000 0.968 790 R CB -0.665 29.631 30.300 -0.005 0.000 0.861 790 R HN 0.450 nan 8.270 nan 0.000 0.440 791 G N -0.085 108.746 108.800 0.053 0.000 2.408 791 G HA2 -0.312 3.656 3.960 0.012 0.000 0.217 791 G HA3 -0.312 3.656 3.960 0.012 0.000 0.217 791 G C 1.241 176.196 174.900 0.093 0.000 1.150 791 G CA 0.418 45.551 45.100 0.056 0.000 0.776 791 G HN 0.366 nan 8.290 nan 0.000 0.542 792 Y N 1.088 121.391 120.300 0.004 0.000 2.145 792 Y HA -0.086 4.471 4.550 0.012 0.000 0.286 792 Y C 2.545 178.437 175.900 -0.013 0.000 1.145 792 Y CA 1.344 59.439 58.100 -0.009 0.000 1.148 792 Y CB -0.173 38.256 38.460 -0.053 0.000 0.981 792 Y HN 0.102 nan 8.280 nan 0.000 0.507 793 L N -0.292 121.080 121.223 0.248 0.000 1.921 793 L HA -0.296 4.051 4.340 0.012 0.000 0.219 793 L C 2.359 179.252 176.870 0.038 0.000 1.081 793 L CA 1.344 56.272 54.840 0.146 0.000 0.771 793 L CB -1.068 41.057 42.059 0.111 0.000 0.888 793 L HN 0.238 nan 8.230 nan 0.000 0.433 794 I N 0.075 120.667 120.570 0.036 0.000 2.130 794 I HA -0.411 3.766 4.170 0.012 0.000 0.241 794 I C 2.673 178.804 176.117 0.024 0.000 1.023 794 I CA 1.892 63.209 61.300 0.029 0.000 1.293 794 I CB -1.429 36.584 38.000 0.021 0.000 1.001 794 I HN 0.360 nan 8.210 nan 0.000 0.407 795 R N 0.690 121.177 120.500 -0.022 0.000 2.154 795 R HA -0.249 4.098 4.340 0.012 0.000 0.248 795 R C 2.237 178.513 176.300 -0.040 0.000 1.155 795 R CA 2.150 58.216 56.100 -0.057 0.000 0.979 795 R CB -0.237 29.996 30.300 -0.112 0.000 0.869 795 R HN 0.319 nan 8.270 nan 0.000 0.452 796 K N -0.625 119.719 120.400 -0.094 0.000 2.155 796 K HA 0.029 4.356 4.320 0.012 0.000 0.203 796 K C 1.503 178.096 176.600 -0.013 0.000 1.052 796 K CA 1.430 57.657 56.287 -0.100 0.000 0.948 796 K CB 0.034 32.441 32.500 -0.155 0.000 0.728 796 K HN 0.199 nan 8.250 nan 0.000 0.448 797 A N -0.653 122.179 122.820 0.021 0.000 2.169 797 A HA 0.007 4.334 4.320 0.012 0.000 0.212 797 A C 1.763 179.376 177.584 0.048 0.000 1.153 797 A CA 0.308 52.361 52.037 0.027 0.000 0.756 797 A CB -0.692 18.324 19.000 0.026 0.000 0.813 797 A HN 0.460 nan 8.150 nan 0.000 0.471 798 Y N 1.171 121.445 120.300 -0.042 0.000 2.053 798 Y HA -0.314 4.243 4.550 0.012 0.000 0.277 798 Y C 2.299 178.179 175.900 -0.034 0.000 1.159 798 Y CA 2.454 60.532 58.100 -0.037 0.000 1.125 798 Y CB -0.369 38.067 38.460 -0.041 0.000 0.969 798 Y HN 0.319 nan 8.280 nan 0.000 0.492 799 K N 0.253 120.666 120.400 0.022 0.000 2.089 799 K HA -0.304 4.023 4.320 0.012 0.000 0.210 799 K C 2.315 178.848 176.600 -0.112 0.000 1.048 799 K CA 2.247 58.500 56.287 -0.057 0.000 0.926 799 K CB -0.278 32.221 32.500 -0.001 0.000 0.714 799 K HN 0.302 nan 8.250 nan 0.000 0.448 800 K N -0.161 120.190 120.400 -0.083 0.000 2.155 800 K HA -0.085 4.242 4.320 0.012 0.000 0.203 800 K C 1.903 178.436 176.600 -0.112 0.000 1.052 800 K CA 0.731 56.971 56.287 -0.079 0.000 0.948 800 K CB 0.084 32.556 32.500 -0.047 0.000 0.728 800 K HN 0.032 nan 8.250 nan 0.000 0.448 801 L N 1.441 122.573 121.223 -0.151 0.000 2.093 801 L HA -0.127 4.220 4.340 0.012 0.000 0.208 801 L C 2.261 178.996 176.870 -0.225 0.000 1.085 801 L CA 1.541 56.280 54.840 -0.168 0.000 0.755 801 L CB -0.431 41.529 42.059 -0.166 0.000 0.904 801 L HN 0.195 nan 8.230 nan 0.000 0.435 802 Q N -0.813 118.783 119.800 -0.340 0.000 2.050 802 Q HA -0.216 4.131 4.340 0.012 0.000 0.202 802 Q C 1.839 177.739 176.000 -0.167 0.000 0.980 802 Q CA 1.676 57.297 55.803 -0.303 0.000 0.840 802 Q CB -0.113 28.416 28.738 -0.348 0.000 0.898 802 Q HN 0.492 nan 8.270 nan 0.000 0.424 803 D N 0.442 120.759 120.400 -0.138 0.000 2.077 803 D HA -0.164 4.483 4.640 0.012 0.000 0.193 803 D C 1.896 178.148 176.300 -0.079 0.000 0.989 803 D CA 1.179 55.125 54.000 -0.091 0.000 0.831 803 D CB -0.155 40.600 40.800 -0.074 0.000 0.979 803 D HN 0.280 nan 8.370 nan 0.000 0.449 804 Q N 0.389 120.142 119.800 -0.078 0.000 2.325 804 Q HA -0.223 4.124 4.340 0.012 0.000 0.211 804 Q C 2.143 178.106 176.000 -0.062 0.000 0.988 804 Q CA 0.954 56.719 55.803 -0.064 0.000 0.887 804 Q CB -0.100 28.602 28.738 -0.060 0.000 0.915 804 Q HN 0.233 nan 8.270 nan 0.000 0.440 805 R N 1.007 121.463 120.500 -0.073 0.000 2.064 805 R HA -0.132 4.216 4.340 0.012 0.000 0.228 805 R C 2.172 178.440 176.300 -0.053 0.000 1.144 805 R CA 1.330 57.392 56.100 -0.064 0.000 0.932 805 R CB -0.255 30.001 30.300 -0.074 0.000 0.833 805 R HN 0.205 nan 8.270 nan 0.000 0.429 806 I N 0.813 121.351 120.570 -0.054 0.000 2.248 806 I HA -0.262 3.915 4.170 0.012 0.000 0.248 806 I C 2.397 178.488 176.117 -0.044 0.000 1.107 806 I CA 1.511 62.783 61.300 -0.045 0.000 1.373 806 I CB -0.707 37.266 38.000 -0.044 0.000 1.055 806 I HN 0.518 nan 8.210 nan 0.000 0.418 807 G N 1.102 109.873 108.800 -0.047 0.000 2.701 807 G HA2 -0.327 3.640 3.960 0.012 0.000 0.215 807 G HA3 -0.327 3.640 3.960 0.012 0.000 0.215 807 G C 1.528 176.402 174.900 -0.044 0.000 1.297 807 G CA 1.013 46.085 45.100 -0.045 0.000 0.807 807 G HN 0.312 nan 8.290 nan 0.000 0.608 808 L N 0.796 121.993 121.223 -0.043 0.000 2.187 808 L HA -0.029 4.318 4.340 0.012 0.000 0.213 808 L C 2.880 179.728 176.870 -0.038 0.000 1.100 808 L CA 2.341 57.157 54.840 -0.040 0.000 0.765 808 L CB -0.557 41.479 42.059 -0.037 0.000 0.904 808 L HN 0.273 nan 8.230 nan 0.000 0.437 809 S N -1.704 113.973 115.700 -0.037 0.000 2.368 809 S HA -0.144 4.333 4.470 0.012 0.000 0.225 809 S C 1.869 176.449 174.600 -0.034 0.000 1.030 809 S CA 1.398 59.578 58.200 -0.033 0.000 0.999 809 S CB -0.257 62.923 63.200 -0.033 0.000 0.844 809 S HN 0.330 nan 8.310 nan 0.000 0.459 810 V N 3.122 123.013 119.914 -0.038 0.000 2.221 810 V HA -0.158 3.969 4.120 0.012 0.000 0.242 810 V C 2.379 178.446 176.094 -0.046 0.000 1.041 810 V CA 1.792 64.068 62.300 -0.041 0.000 0.995 810 V CB -0.708 31.089 31.823 -0.043 0.000 0.635 810 V HN 0.484 nan 8.190 nan 0.000 0.448 811 I N -0.116 120.424 120.570 -0.051 0.000 2.147 811 I HA -0.429 3.748 4.170 0.012 0.000 0.245 811 I C 2.572 178.658 176.117 -0.052 0.000 1.059 811 I CA 2.289 63.553 61.300 -0.059 0.000 1.320 811 I CB -1.267 36.700 38.000 -0.056 0.000 1.021 811 I HN 0.479 nan 8.210 nan 0.000 0.415 812 Q N -0.059 119.718 119.800 -0.039 0.000 2.016 812 Q HA -0.199 4.148 4.340 0.012 0.000 0.200 812 Q C 2.476 178.463 176.000 -0.022 0.000 0.978 812 Q CA 1.580 57.366 55.803 -0.028 0.000 0.833 812 Q CB -0.146 28.578 28.738 -0.023 0.000 0.895 812 Q HN 0.379 nan 8.270 nan 0.000 0.427 813 R N 0.443 120.928 120.500 -0.025 0.000 2.082 813 R HA -0.184 4.163 4.340 0.012 0.000 0.234 813 R C 1.844 178.132 176.300 -0.020 0.000 1.136 813 R CA 1.846 57.933 56.100 -0.022 0.000 0.935 813 R CB -0.159 30.126 30.300 -0.025 0.000 0.842 813 R HN 0.295 nan 8.270 nan 0.000 0.430 814 N N 0.770 119.452 118.700 -0.030 0.000 2.043 814 N HA -0.208 4.539 4.740 0.012 0.000 0.193 814 N C 1.894 177.402 175.510 -0.004 0.000 1.037 814 N CA 1.486 54.519 53.050 -0.030 0.000 0.851 814 N CB -0.409 38.044 38.487 -0.058 0.000 1.027 814 N HN 0.212 nan 8.380 nan 0.000 0.422 815 I N 1.498 122.053 120.570 -0.025 0.000 2.399 815 I HA -0.244 3.934 4.170 0.012 0.000 0.254 815 I C 2.207 178.389 176.117 0.109 0.000 1.146 815 I CA 1.152 62.460 61.300 0.014 0.000 1.412 815 I CB 0.018 38.006 38.000 -0.020 0.000 1.076 815 I HN 0.118 nan 8.210 nan 0.000 0.432 816 R N -0.711 119.820 120.500 0.051 0.000 2.127 816 R HA -0.077 4.270 4.340 0.012 0.000 0.217 816 R C 2.147 178.460 176.300 0.021 0.000 1.074 816 R CA 0.565 56.688 56.100 0.038 0.000 0.991 816 R CB -0.159 30.146 30.300 0.008 0.000 0.895 816 R HN 0.087 nan 8.270 nan 0.000 0.450 817 K N 0.410 120.819 120.400 0.016 0.000 2.001 817 K HA -0.160 4.167 4.320 0.012 0.000 0.208 817 K C 1.479 178.064 176.600 -0.025 0.000 1.048 817 K CA 1.221 57.490 56.287 -0.031 0.000 0.932 817 K CB -0.461 32.017 32.500 -0.037 0.000 0.715 817 K HN 0.158 nan 8.250 nan 0.000 0.437 818 W N 1.009 122.203 121.300 -0.176 0.000 2.308 818 W HA -0.219 4.448 4.660 0.012 0.000 0.301 818 W C 1.320 177.717 176.519 -0.205 0.000 1.220 818 W CA 1.706 58.922 57.345 -0.215 0.000 1.240 818 W CB -0.226 29.136 29.460 -0.164 0.000 1.142 818 W HN 0.065 nan 8.180 nan 0.000 0.521 819 L N -0.818 120.408 121.223 0.005 0.000 2.072 819 L HA -0.213 4.134 4.340 0.012 0.000 0.205 819 L C 2.275 179.031 176.870 -0.190 0.000 1.079 819 L CA 1.137 55.893 54.840 -0.140 0.000 0.752 819 L CB -1.114 40.954 42.059 0.015 0.000 0.906 819 L HN -0.174 nan 8.230 nan 0.000 0.436 820 V N -0.290 119.538 119.914 -0.142 0.000 2.358 820 V HA -0.269 3.858 4.120 0.012 0.000 0.246 820 V C 2.308 178.283 176.094 -0.197 0.000 1.047 820 V CA 1.432 63.651 62.300 -0.134 0.000 1.035 820 V CB -0.410 31.337 31.823 -0.128 0.000 0.658 820 V HN 0.290 nan 8.190 nan 0.000 0.452 821 L N 0.285 121.311 121.223 -0.328 0.000 1.943 821 L HA -0.177 4.170 4.340 0.012 0.000 0.215 821 L C 2.731 179.347 176.870 -0.423 0.000 1.074 821 L CA 2.031 56.599 54.840 -0.452 0.000 0.759 821 L CB -0.650 40.992 42.059 -0.696 0.000 0.888 821 L HN 0.110 nan 8.230 nan 0.000 0.433 822 R N -0.117 119.968 120.500 -0.692 0.000 2.153 822 R HA -0.212 4.135 4.340 0.012 0.000 0.252 822 R C 0.797 176.991 176.300 -0.176 0.000 1.158 822 R CA 1.940 57.695 56.100 -0.575 0.000 0.975 822 R CB -1.052 28.775 30.300 -0.788 0.000 0.871 822 R HN 0.544 nan 8.270 nan 0.000 0.450 823 N N -0.640 117.987 118.700 -0.121 0.000 2.558 823 N HA 0.012 4.760 4.740 0.012 0.000 0.281 823 N C -1.124 174.477 175.510 0.151 0.000 1.219 823 N CA -0.222 52.829 53.050 0.001 0.000 0.942 823 N CB 0.187 38.651 38.487 -0.037 0.000 1.241 823 N HN 0.145 nan 8.380 nan 0.000 0.511 824 W N 0.908 122.205 121.300 -0.005 0.000 2.520 824 W HA 0.340 5.007 4.660 0.012 0.000 0.323 824 W C 0.850 177.380 176.519 0.019 0.000 1.062 824 W CA -0.763 56.620 57.345 0.063 0.000 1.215 824 W CB 1.073 30.643 29.460 0.184 0.000 1.340 824 W HN 0.085 nan 8.180 nan 0.000 0.516 825 Q N 2.558 122.170 119.800 -0.313 0.000 2.230 825 Q HA -0.131 4.216 4.340 0.012 0.000 0.202 825 Q C 1.349 176.870 176.000 -0.798 0.000 0.963 825 Q CA 1.563 57.005 55.803 -0.601 0.000 0.866 825 Q CB -0.122 28.117 28.738 -0.831 0.000 0.931 825 Q HN 0.772 nan 8.270 nan 0.000 0.452 826 W N -1.205 119.607 121.300 -0.815 0.000 3.003 826 W HA 0.004 4.671 4.660 0.012 0.000 0.257 826 W C 1.983 178.312 176.519 -0.317 0.000 1.308 826 W CA -0.646 56.201 57.345 -0.831 0.000 1.529 826 W CB -0.264 28.231 29.460 -1.609 0.000 1.115 826 W HN 0.205 nan 8.180 nan 0.000 0.659 827 W N 2.023 123.379 121.300 0.094 0.000 2.539 827 W HA -0.029 4.638 4.660 0.012 0.000 0.299 827 W C 1.889 178.482 176.519 0.123 0.000 1.165 827 W CA 1.080 58.612 57.345 0.311 0.000 1.400 827 W CB -0.668 29.049 29.460 0.429 0.000 1.123 827 W HN -0.167 nan 8.180 nan 0.000 0.533 828 K N 0.692 121.228 120.400 0.227 0.000 2.103 828 K HA -0.247 4.080 4.320 0.012 0.000 0.207 828 K C 2.224 178.787 176.600 -0.062 0.000 1.048 828 K CA 1.645 57.981 56.287 0.083 0.000 0.930 828 K CB -0.478 32.078 32.500 0.093 0.000 0.716 828 K HN 0.077 nan 8.250 nan 0.000 0.444 829 L N 0.506 121.691 121.223 -0.064 0.000 1.943 829 L HA -0.243 4.104 4.340 0.012 0.000 0.215 829 L C 2.095 178.945 176.870 -0.033 0.000 1.074 829 L CA 1.861 56.662 54.840 -0.064 0.000 0.759 829 L CB -0.883 41.130 42.059 -0.077 0.000 0.888 829 L HN 0.284 nan 8.230 nan 0.000 0.433 830 Y N -0.034 120.143 120.300 -0.204 0.000 2.014 830 Y HA -0.413 4.145 4.550 0.012 0.000 0.272 830 Y C 2.854 178.519 175.900 -0.392 0.000 1.164 830 Y CA 2.121 60.063 58.100 -0.263 0.000 1.114 830 Y CB -0.424 37.881 38.460 -0.258 0.000 0.961 830 Y HN 0.509 nan 8.280 nan 0.000 0.489 831 S N -0.193 115.224 115.700 -0.471 0.000 2.462 831 S HA -0.211 4.266 4.470 0.012 0.000 0.243 831 S C 1.586 176.096 174.600 -0.150 0.000 1.003 831 S CA 1.557 59.441 58.200 -0.527 0.000 0.970 831 S CB -0.459 62.239 63.200 -0.837 0.000 0.762 831 S HN 0.561 nan 8.310 nan 0.000 0.510 832 K N 0.271 120.617 120.400 -0.092 0.000 2.284 832 K HA 0.213 4.540 4.320 0.012 0.000 0.198 832 K C 0.951 177.536 176.600 -0.024 0.000 1.048 832 K CA 0.619 56.882 56.287 -0.039 0.000 0.987 832 K CB 0.088 32.567 32.500 -0.036 0.000 0.800 832 K HN 0.270 nan 8.250 nan 0.000 0.486 833 V N 2.090 121.990 119.914 -0.022 0.000 3.488 833 V HA -0.051 4.077 4.120 0.012 0.000 0.286 833 V C 1.206 177.282 176.094 -0.029 0.000 1.206 833 V CA 1.168 63.444 62.300 -0.040 0.000 1.238 833 V CB -0.629 31.139 31.823 -0.092 0.000 1.004 833 V HN 0.202 nan 8.190 nan 0.000 0.445 834 K N -0.816 119.582 120.400 -0.003 0.000 2.608 834 K HA 0.168 4.495 4.320 0.012 0.000 0.214 834 K C -1.268 175.339 176.600 0.012 0.000 1.469 834 K CA -0.116 56.175 56.287 0.007 0.000 1.012 834 K CB 0.614 33.139 32.500 0.041 0.000 1.211 834 K HN 0.330 nan 8.250 nan 0.000 0.627 835 P HA -0.115 nan 4.420 nan 0.000 0.215 835 P C 0.424 177.730 177.300 0.009 0.000 1.157 835 P CA 0.858 63.967 63.100 0.015 0.000 0.868 835 P CB -0.226 31.482 31.700 0.014 0.000 0.788 836 L N 0.000 121.225 121.223 0.003 0.000 2.949 836 L HA 0.000 4.347 4.340 0.012 0.000 0.249 836 L CA 0.000 54.839 54.840 -0.001 0.000 0.813 836 L CB 0.000 42.055 42.059 -0.007 0.000 0.961 836 L HN 0.000 nan 8.230 nan 0.000 0.502