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 1kwo_1_A DATA FIRST_RESID 5 DATA SEQUENCE FSDPDFQYLA VDRKKLMKEX XXAFDGKKNC WVPDEKEGFA SAEIQSSKGD DATA SEQUENCE EITVKIVADS STRTVKKDDI QSMNPPKFEK LEDMANMTYL NEASVLYNLR DATA SEQUENCE SRYTSGLIYT YSGLFCIAVN PYRRLPIYTD SVIAKYRGKR KTEIPPHLFS DATA SEQUENCE VADNAYQNMV TDRENQSCLI TGESGAGKTE NTKKVIMYLA KVACAVXXXX DATA SEQUENCE XXXXXKKEGS LEDQIIQANP VLEAYGNAKT TRNNNSSRFG KFIRIHFGPT DATA SEQUENCE GKIAGADIET YLLEKSRVTY QQSAERNYHI FYQICSNAIP ELNDVMLVTP DATA SEQUENCE DSGLYSFINQ GCLTVDNIDD VEEFKLCDEA FDILGFTKEE KQSMFKCTAS DATA SEQUENCE ILHMGEMKFK QRPREEQAES DGTAEAEKVA FLCGINAGDL LKALLKPKVK DATA SEQUENCE VGXXXVTKGQ NMNQVVNSVG ALAKSLYDRM FNWLVRRVNK TLDTKAKRNY DATA SEQUENCE YIGVLDIAGF EIFDFNSFEQ LCINYTNERL QQFFNHHMFI LEQEEYKKEG DATA SEQUENCE IAWEFIDFGM DLQMCIDLIE KPMGILSILE EECMFPKADD KSFQDKLYQN DATA SEQUENCE HMGKNRMFXX XXXXTRPNQG PAHFELHHYA GNVPYSITGW LEKNKDPINE DATA SEQUENCE NVVALLGASK EPLVAELFKA XXXXXXXXXX XXXXXXXFQT ISAVHRESLN DATA SEQUENCE KLMKNLYSTH PHFVRCIIPN ELKQPGLVDA ELVLHQLQCN GVLXXXXXXR DATA SEQUENCE KGFPSRLIYS EFKQRYSILA PNXXXXXXXD GKTVSEKILA GLQMDPAEYR DATA SEQUENCE LGTTKVFFKA GVLGNLEEMR DERLSKIISM FQAHIRGYLI RKAYKKLQDQ DATA SEQUENCE RIGLSVIQRN IRKWLVLRNW QWWKLYSKVK P 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 5 F HA 0.000 nan 4.527 nan 0.000 0.279 5 F C 0.000 175.790 175.800 -0.017 0.000 0.967 5 F CA 0.000 57.985 58.000 -0.024 0.000 1.383 5 F CB 0.000 38.975 39.000 -0.041 0.000 1.145 6 S N -0.510 115.457 115.700 0.445 0.000 3.339 6 S HA 0.649 5.125 4.470 0.010 0.000 0.221 6 S C -1.169 173.532 174.600 0.168 0.000 1.059 6 S CA 0.233 58.558 58.200 0.208 0.000 1.365 6 S CB 0.534 63.764 63.200 0.050 0.000 1.065 6 S HN 0.997 nan 8.310 nan 0.000 0.618 7 D N -0.197 120.202 120.400 -0.002 0.000 3.361 7 D HA 0.267 4.914 4.640 0.010 0.000 0.246 7 D C -2.574 173.671 176.300 -0.091 0.000 1.395 7 D CA -0.737 53.250 54.000 -0.022 0.000 0.839 7 D CB -0.509 40.325 40.800 0.056 0.000 1.469 7 D HN 0.198 nan 8.370 nan 0.000 0.636 8 P HA 0.005 nan 4.420 nan 0.000 0.199 8 P C 0.057 177.285 177.300 -0.119 0.000 1.118 8 P CA 0.965 63.946 63.100 -0.200 0.000 0.913 8 P CB 0.435 31.926 31.700 -0.348 0.000 0.738 9 D N -2.525 117.812 120.400 -0.104 0.000 3.118 9 D HA 0.144 4.790 4.640 0.010 0.000 0.286 9 D C -0.612 175.726 176.300 0.064 0.000 1.255 9 D CA -0.196 53.774 54.000 -0.050 0.000 0.748 9 D CB -0.070 40.697 40.800 -0.056 0.000 1.332 9 D HN 0.075 nan 8.370 nan 0.000 0.575 10 F N 0.690 120.551 119.950 -0.149 0.000 2.653 10 F HA 0.046 4.580 4.527 0.012 0.000 0.304 10 F C 1.877 177.610 175.800 -0.112 0.000 1.092 10 F CA -0.145 57.775 58.000 -0.133 0.000 1.279 10 F CB 0.762 39.652 39.000 -0.184 0.000 1.044 10 F HN 0.043 nan 8.300 nan 0.000 0.564 11 Q N -0.408 119.374 119.800 -0.031 0.000 2.528 11 Q HA -0.231 4.116 4.340 0.010 0.000 0.217 11 Q C 0.318 176.302 176.000 -0.025 0.000 0.988 11 Q CA 1.762 57.479 55.803 -0.144 0.000 0.900 11 Q CB -0.239 28.269 28.738 -0.382 0.000 0.947 11 Q HN 0.669 nan 8.270 nan 0.000 0.502 12 Y N -2.733 117.570 120.300 0.005 0.000 2.524 12 Y HA 0.281 4.838 4.550 0.011 0.000 0.276 12 Y C 1.389 177.258 175.900 -0.051 0.000 1.155 12 Y CA -0.167 57.921 58.100 -0.020 0.000 1.165 12 Y CB 0.855 39.313 38.460 -0.003 0.000 1.306 12 Y HN 0.098 nan 8.280 nan 0.000 0.522 13 L N 0.750 121.997 121.223 0.040 0.000 3.001 13 L HA 0.826 5.173 4.340 0.010 0.000 0.234 13 L C 0.160 176.816 176.870 -0.356 0.000 1.321 13 L CA 0.455 55.243 54.840 -0.086 0.000 1.138 13 L CB -0.989 41.009 42.059 -0.102 0.000 1.503 13 L HN 0.195 nan 8.230 nan 0.000 0.487 14 A N -1.392 121.298 122.820 -0.216 0.000 2.565 14 A HA 0.686 5.013 4.320 0.010 0.000 0.298 14 A C -0.077 177.496 177.584 -0.018 0.000 1.062 14 A CA 0.273 52.173 52.037 -0.228 0.000 0.723 14 A CB 0.557 19.317 19.000 -0.399 0.000 1.282 14 A HN 1.644 nan 8.150 nan 0.000 0.400 15 V N 0.950 120.885 119.914 0.035 0.000 2.743 15 V HA 0.470 4.596 4.120 0.010 0.000 0.356 15 V C 0.642 176.789 176.094 0.088 0.000 1.594 15 V CA 1.124 63.462 62.300 0.064 0.000 1.652 15 V CB -1.727 30.137 31.823 0.068 0.000 1.389 15 V HN 1.370 nan 8.190 nan 0.000 0.514 16 D N 1.482 121.939 120.400 0.094 0.000 2.703 16 D HA 0.535 5.181 4.640 0.010 0.000 0.225 16 D C 1.047 177.403 176.300 0.093 0.000 1.119 16 D CA 1.739 55.805 54.000 0.110 0.000 0.845 16 D CB -0.148 40.712 40.800 0.100 0.000 1.182 16 D HN 2.363 nan 8.370 nan 0.000 0.493 17 R N -0.328 120.233 120.500 0.102 0.000 3.699 17 R HA 0.199 4.545 4.340 0.010 0.000 0.539 17 R C 1.553 177.890 176.300 0.060 0.000 0.241 17 R CA 2.729 58.876 56.100 0.079 0.000 1.674 17 R CB -1.968 28.371 30.300 0.065 0.000 0.975 17 R HN 2.343 nan 8.270 nan 0.000 0.578 18 K N 0.560 120.988 120.400 0.047 0.000 3.141 18 K HA 0.597 4.923 4.320 0.010 0.000 0.248 18 K C 1.902 178.523 176.600 0.035 0.000 1.282 18 K CA 1.283 57.592 56.287 0.036 0.000 1.251 18 K CB -0.570 31.948 32.500 0.029 0.000 1.533 18 K HN 1.759 nan 8.250 nan 0.000 0.409 19 K N -0.224 120.200 120.400 0.039 0.000 2.439 19 K HA 0.339 4.665 4.320 0.010 0.000 0.197 19 K C 1.976 178.599 176.600 0.037 0.000 1.041 19 K CA 1.200 57.511 56.287 0.039 0.000 0.970 19 K CB -0.915 31.610 32.500 0.043 0.000 0.773 19 K HN 1.051 nan 8.250 nan 0.000 0.479 20 L N -0.475 120.767 121.223 0.032 0.000 2.713 20 L HA 0.640 4.986 4.340 0.010 0.000 0.245 20 L C 2.519 179.399 176.870 0.016 0.000 1.169 20 L CA 1.618 56.471 54.840 0.023 0.000 0.962 20 L CB -1.781 40.288 42.059 0.016 0.000 1.161 20 L HN 0.713 nan 8.230 nan 0.000 0.427 21 M N -1.259 118.354 119.600 0.021 0.000 2.940 21 M HA 0.389 4.875 4.480 0.010 0.000 0.248 21 M C 2.625 178.935 176.300 0.016 0.000 1.379 21 M CA 1.742 57.052 55.300 0.016 0.000 1.262 21 M CB -1.116 31.494 32.600 0.017 0.000 1.201 21 M HN 0.575 nan 8.290 nan 0.000 0.553 22 K N 1.171 121.584 120.400 0.022 0.000 1.965 22 K HA 0.401 4.727 4.320 0.010 0.000 0.214 22 K C 1.423 178.037 176.600 0.024 0.000 1.042 22 K CA 2.342 58.642 56.287 0.022 0.000 0.950 22 K CB -1.376 31.139 32.500 0.024 0.000 0.733 22 K HN 1.176 nan 8.250 nan 0.000 0.441 28 F N 0.117 120.061 119.950 -0.010 0.000 2.635 28 F HA 0.606 5.138 4.527 0.008 0.000 0.314 28 F C -1.926 173.871 175.800 -0.006 0.000 1.119 28 F CA -0.469 57.523 58.000 -0.013 0.000 1.000 28 F CB 1.556 40.558 39.000 0.004 0.000 1.278 28 F HN 0.139 nan 8.300 nan 0.000 0.446 29 D N 2.731 122.618 120.400 -0.855 0.000 2.964 29 D HA 0.402 5.048 4.640 0.010 0.000 0.234 29 D C 0.722 176.594 176.300 -0.713 0.000 1.223 29 D CA -0.144 53.525 54.000 -0.551 0.000 0.889 29 D CB 2.029 42.654 40.800 -0.291 0.000 1.609 29 D HN 0.757 nan 8.370 nan 0.000 0.523 30 G N 2.490 111.085 108.800 -0.342 0.000 2.615 30 G HA2 -0.167 3.799 3.960 0.010 0.000 0.213 30 G HA3 -0.167 3.799 3.960 0.010 0.000 0.213 30 G C 0.919 175.719 174.900 -0.166 0.000 1.135 30 G CA 0.800 45.804 45.100 -0.159 0.000 0.772 30 G HN 0.363 nan 8.290 nan 0.000 0.542 31 K N -0.512 119.753 120.400 -0.224 0.000 2.448 31 K HA 0.292 4.618 4.320 0.010 0.000 0.220 31 K C 2.283 178.761 176.600 -0.203 0.000 1.259 31 K CA -0.018 56.166 56.287 -0.172 0.000 0.810 31 K CB -0.252 32.176 32.500 -0.119 0.000 1.540 31 K HN -0.119 nan 8.250 nan 0.000 0.434 32 K N 1.372 121.648 120.400 -0.207 0.000 2.052 32 K HA -0.152 4.175 4.320 0.010 0.000 0.215 32 K C -0.037 176.425 176.600 -0.230 0.000 1.053 32 K CA 1.469 57.641 56.287 -0.191 0.000 0.934 32 K CB -0.616 31.777 32.500 -0.178 0.000 0.717 32 K HN 0.292 nan 8.250 nan 0.000 0.450 33 N N 0.083 118.586 118.700 -0.329 0.000 2.514 33 N HA 0.175 4.921 4.740 0.010 0.000 0.277 33 N C -0.249 175.062 175.510 -0.333 0.000 1.126 33 N CA -0.417 52.422 53.050 -0.351 0.000 0.978 33 N CB 0.924 39.149 38.487 -0.436 0.000 1.106 33 N HN 0.358 nan 8.380 nan 0.000 0.461 34 C N 0.064 119.140 119.300 -0.372 0.000 3.165 34 C HA 0.445 4.911 4.460 0.010 0.000 0.345 34 C C -2.117 172.603 174.990 -0.450 0.000 1.367 34 C CA -1.448 57.362 59.018 -0.347 0.000 1.205 34 C CB -0.228 27.388 27.740 -0.207 0.000 1.447 34 C HN 0.833 nan 8.230 nan 0.000 0.451 35 W N 1.360 122.546 121.300 -0.191 0.000 2.469 35 W HA 0.673 5.338 4.660 0.008 0.000 0.320 35 W C 0.155 176.557 176.519 -0.195 0.000 1.086 35 W CA -0.333 56.884 57.345 -0.213 0.000 1.211 35 W CB 1.865 31.092 29.460 -0.388 0.000 1.298 35 W HN 0.875 nan 8.180 nan 0.000 0.525 36 V N 1.099 121.157 119.914 0.239 0.000 2.876 36 V HA 0.674 4.800 4.120 0.010 0.000 0.312 36 V C -2.723 173.709 176.094 0.563 0.000 1.085 36 V CA -3.547 58.912 62.300 0.266 0.000 0.945 36 V CB 1.677 33.583 31.823 0.137 0.000 1.017 36 V HN 0.284 nan 8.190 nan 0.000 0.428 37 P HA 0.285 nan 4.420 nan 0.000 0.269 37 P C -1.087 176.296 177.300 0.138 0.000 1.211 37 P CA 0.594 63.864 63.100 0.282 0.000 0.781 37 P CB 0.234 32.027 31.700 0.155 0.000 0.877 38 D N -0.891 119.500 120.400 -0.016 0.000 2.400 38 D HA 0.244 4.890 4.640 0.010 0.000 0.197 38 D C 0.869 177.134 176.300 -0.058 0.000 1.295 38 D CA -0.150 53.851 54.000 0.002 0.000 0.878 38 D CB 0.054 40.894 40.800 0.067 0.000 1.659 38 D HN 0.168 nan 8.370 nan 0.000 0.546 39 E N 2.584 122.758 120.200 -0.043 0.000 2.219 39 E HA -0.131 4.225 4.350 0.010 0.000 0.198 39 E C 1.644 178.217 176.600 -0.045 0.000 0.998 39 E CA 2.445 58.813 56.400 -0.053 0.000 0.818 39 E CB -0.664 29.015 29.700 -0.034 0.000 0.741 39 E HN 0.673 nan 8.360 nan 0.000 0.477 40 K N 1.032 121.419 120.400 -0.023 0.000 2.051 40 K HA 0.096 4.423 4.320 0.010 0.000 0.212 40 K C 1.476 178.067 176.600 -0.015 0.000 1.032 40 K CA 0.886 57.166 56.287 -0.011 0.000 0.982 40 K CB -0.513 31.993 32.500 0.011 0.000 1.002 40 K HN 0.334 nan 8.250 nan 0.000 0.452 41 E N 0.899 121.108 120.200 0.015 0.000 2.594 41 E HA 0.259 4.615 4.350 0.010 0.000 0.300 41 E C 1.029 177.636 176.600 0.012 0.000 1.568 41 E CA 0.368 56.783 56.400 0.025 0.000 1.811 41 E CB -0.696 29.049 29.700 0.074 0.000 1.458 41 E HN 0.786 nan 8.360 nan 0.000 0.470 42 G N 1.368 110.124 108.800 -0.074 0.000 2.846 42 G HA2 -0.353 3.613 3.960 0.010 0.000 0.317 42 G HA3 -0.353 3.613 3.960 0.010 0.000 0.317 42 G C -0.022 174.739 174.900 -0.231 0.000 1.210 42 G CA 0.287 45.265 45.100 -0.203 0.000 0.972 42 G HN 0.350 nan 8.290 nan 0.000 0.567 43 F N 1.794 121.772 119.950 0.047 0.000 2.541 43 F HA 0.815 5.331 4.527 -0.019 0.000 0.331 43 F C 0.825 176.834 175.800 0.347 0.000 1.057 43 F CA -0.036 58.059 58.000 0.158 0.000 0.975 43 F CB 2.139 41.202 39.000 0.106 0.000 1.246 43 F HN 0.880 nan 8.300 nan 0.000 0.484 44 A N 0.581 123.797 122.820 0.659 0.000 2.498 44 A HA 0.614 4.940 4.320 0.010 0.000 0.298 44 A C -0.842 176.828 177.584 0.143 0.000 1.075 44 A CA -0.715 51.586 52.037 0.440 0.000 0.714 44 A CB 1.453 20.587 19.000 0.224 0.000 1.299 44 A HN 0.618 nan 8.150 nan 0.000 0.407 45 S N 0.168 115.763 115.700 -0.177 0.000 2.548 45 S HA 0.669 5.145 4.470 0.010 0.000 0.277 45 S C 0.092 174.545 174.600 -0.244 0.000 1.315 45 S CA 0.447 58.345 58.200 -0.505 0.000 1.050 45 S CB 0.428 63.315 63.200 -0.522 0.000 0.918 45 S HN 2.132 nan 8.310 nan 0.000 0.497 46 A N 3.886 126.547 122.820 -0.265 0.000 2.583 46 A HA 0.765 5.091 4.320 0.010 0.000 0.289 46 A C -1.439 176.043 177.584 -0.169 0.000 1.151 46 A CA -0.858 51.084 52.037 -0.158 0.000 0.695 46 A CB 1.254 20.192 19.000 -0.102 0.000 1.290 46 A HN 0.792 nan 8.150 nan 0.000 0.419 47 E N 0.917 121.044 120.200 -0.121 0.000 2.255 47 E HA 0.384 4.741 4.350 0.010 0.000 0.256 47 E C -1.056 175.487 176.600 -0.094 0.000 0.887 47 E CA -0.395 55.934 56.400 -0.119 0.000 0.782 47 E CB 1.619 31.259 29.700 -0.099 0.000 1.214 47 E HN 0.552 nan 8.360 nan 0.000 0.417 48 I N 2.840 123.349 120.570 -0.102 0.000 2.821 48 I HA -0.154 4.023 4.170 0.010 0.000 0.294 48 I C 1.090 177.167 176.117 -0.067 0.000 1.210 48 I CA 0.646 61.898 61.300 -0.080 0.000 1.430 48 I CB 0.291 38.240 38.000 -0.086 0.000 1.356 48 I HN 0.543 nan 8.210 nan 0.000 0.563 49 Q N 3.676 123.444 119.800 -0.053 0.000 2.217 49 Q HA 0.164 4.510 4.340 0.010 0.000 0.217 49 Q C -0.674 175.303 176.000 -0.039 0.000 0.844 49 Q CA 0.008 55.784 55.803 -0.045 0.000 0.957 49 Q CB 0.685 29.401 28.738 -0.038 0.000 1.127 49 Q HN 0.854 nan 8.270 nan 0.000 0.503 50 S N -2.588 113.088 115.700 -0.040 0.000 2.606 50 S HA 0.447 4.923 4.470 0.010 0.000 0.290 50 S C -1.137 173.441 174.600 -0.037 0.000 1.103 50 S CA -0.866 57.312 58.200 -0.036 0.000 0.870 50 S CB 0.872 64.054 63.200 -0.029 0.000 1.077 50 S HN -0.120 nan 8.310 nan 0.000 0.448 51 S N 0.953 116.631 115.700 -0.037 0.000 2.596 51 S HA 0.570 5.046 4.470 0.010 0.000 0.318 51 S C -0.535 174.044 174.600 -0.035 0.000 1.097 51 S CA -0.560 57.617 58.200 -0.038 0.000 1.080 51 S CB 0.780 63.954 63.200 -0.044 0.000 0.991 51 S HN 0.761 nan 8.310 nan 0.000 0.471 52 K N 4.172 124.553 120.400 -0.032 0.000 3.174 52 K HA 0.456 4.782 4.320 0.010 0.000 0.207 52 K C 0.866 177.448 176.600 -0.030 0.000 1.190 52 K CA 0.298 56.568 56.287 -0.029 0.000 1.054 52 K CB -0.420 32.066 32.500 -0.023 0.000 1.154 52 K HN 0.997 nan 8.250 nan 0.000 0.495 53 G N 1.648 110.426 108.800 -0.036 0.000 2.527 53 G HA2 -0.320 3.646 3.960 0.010 0.000 0.262 53 G HA3 -0.320 3.646 3.960 0.010 0.000 0.262 53 G C 0.095 174.973 174.900 -0.037 0.000 1.153 53 G CA 0.156 45.233 45.100 -0.038 0.000 0.954 53 G HN 0.505 nan 8.290 nan 0.000 0.552 54 D N 2.391 122.771 120.400 -0.032 0.000 2.395 54 D HA 0.208 4.854 4.640 0.010 0.000 0.250 54 D C 0.729 177.014 176.300 -0.024 0.000 1.203 54 D CA 1.043 55.025 54.000 -0.030 0.000 0.872 54 D CB -0.299 40.485 40.800 -0.028 0.000 0.941 54 D HN 0.565 nan 8.370 nan 0.000 0.504 55 E N 0.702 120.887 120.200 -0.025 0.000 3.079 55 E HA 0.082 4.438 4.350 0.010 0.000 0.329 55 E C -0.585 176.001 176.600 -0.023 0.000 1.166 55 E CA -0.381 56.007 56.400 -0.020 0.000 0.876 55 E CB -0.059 29.631 29.700 -0.016 0.000 1.479 55 E HN 0.102 nan 8.360 nan 0.000 0.384 56 I N 2.669 123.223 120.570 -0.027 0.000 2.769 56 I HA -0.033 4.143 4.170 0.010 0.000 0.285 56 I C 0.300 176.400 176.117 -0.028 0.000 1.173 56 I CA 0.890 62.170 61.300 -0.032 0.000 1.389 56 I CB 0.485 38.461 38.000 -0.039 0.000 1.404 56 I HN 0.303 nan 8.210 nan 0.000 0.544 57 T N 7.253 121.790 114.554 -0.028 0.000 2.729 57 T HA 0.393 4.750 4.350 0.010 0.000 0.296 57 T C 0.217 174.899 174.700 -0.031 0.000 0.928 57 T CA -0.515 61.571 62.100 -0.025 0.000 1.045 57 T CB 0.731 69.585 68.868 -0.022 0.000 0.902 57 T HN 0.457 nan 8.240 nan 0.000 0.500 58 V N 1.508 121.404 119.914 -0.029 0.000 3.229 58 V HA 0.873 4.999 4.120 0.010 0.000 0.310 58 V C -0.765 175.311 176.094 -0.031 0.000 1.206 58 V CA -1.482 60.795 62.300 -0.038 0.000 1.051 58 V CB 1.920 33.717 31.823 -0.044 0.000 1.183 58 V HN 0.836 nan 8.190 nan 0.000 0.466 59 K N 0.546 120.923 120.400 -0.039 0.000 2.482 59 K HA 0.613 4.939 4.320 0.010 0.000 0.251 59 K C -1.188 175.392 176.600 -0.033 0.000 0.936 59 K CA -0.798 55.470 56.287 -0.030 0.000 0.791 59 K CB 2.002 34.484 32.500 -0.031 0.000 1.213 59 K HN 0.495 nan 8.250 nan 0.000 0.428 60 I N 4.374 124.934 120.570 -0.017 0.000 2.576 60 I HA -0.086 4.091 4.170 0.010 0.000 0.288 60 I C 1.605 177.711 176.117 -0.019 0.000 1.126 60 I CA 0.019 61.313 61.300 -0.011 0.000 1.362 60 I CB 0.730 38.735 38.000 0.010 0.000 1.419 60 I HN 0.746 nan 8.210 nan 0.000 0.533 61 V N 7.683 127.573 119.914 -0.039 0.000 2.594 61 V HA -0.251 3.875 4.120 0.010 0.000 0.253 61 V C 2.157 178.243 176.094 -0.013 0.000 1.069 61 V CA 2.060 64.337 62.300 -0.039 0.000 1.082 61 V CB 0.050 31.830 31.823 -0.072 0.000 0.680 61 V HN 0.923 nan 8.190 nan 0.000 0.469 62 A N 1.392 124.213 122.820 0.002 0.000 1.823 62 A HA -0.196 4.130 4.320 0.010 0.000 0.214 62 A C 1.688 179.283 177.584 0.019 0.000 1.227 62 A CA 1.723 53.773 52.037 0.022 0.000 0.616 62 A CB -1.077 17.948 19.000 0.042 0.000 0.874 62 A HN 0.723 nan 8.150 nan 0.000 0.455 63 D N -1.164 119.247 120.400 0.019 0.000 2.338 63 D HA 0.144 4.790 4.640 0.010 0.000 0.239 63 D C 0.602 176.907 176.300 0.008 0.000 1.095 63 D CA 0.927 54.936 54.000 0.015 0.000 0.888 63 D CB -0.174 40.637 40.800 0.017 0.000 0.899 63 D HN 0.298 nan 8.370 nan 0.000 0.525 64 S N -0.936 114.765 115.700 0.003 0.000 3.473 64 S HA -0.273 4.204 4.470 0.010 0.000 0.339 64 S C 0.558 175.156 174.600 -0.003 0.000 1.148 64 S CA 0.630 58.828 58.200 -0.003 0.000 0.969 64 S CB -2.117 61.081 63.200 -0.002 0.000 0.936 64 S HN 0.768 nan 8.310 nan 0.000 0.530 65 S N 0.436 116.136 115.700 -0.000 0.000 2.641 65 S HA 0.631 5.107 4.470 0.010 0.000 0.261 65 S C 0.260 174.857 174.600 -0.004 0.000 1.257 65 S CA 0.278 58.478 58.200 0.000 0.000 0.983 65 S CB 1.395 64.599 63.200 0.006 0.000 0.990 65 S HN 1.330 nan 8.310 nan 0.000 0.572 66 T N -1.222 113.330 114.554 -0.004 0.000 3.103 66 T HA 0.511 4.868 4.350 0.010 0.000 0.352 66 T C -0.228 174.470 174.700 -0.004 0.000 1.048 66 T CA -1.027 61.068 62.100 -0.007 0.000 1.175 66 T CB 0.261 69.123 68.868 -0.010 0.000 1.029 66 T HN 0.961 nan 8.240 nan 0.000 0.498 67 R N 1.195 121.694 120.500 -0.001 0.000 2.748 67 R HA 0.870 5.216 4.340 0.010 0.000 0.220 67 R C -0.527 175.773 176.300 -0.001 0.000 1.404 67 R CA -0.755 55.347 56.100 0.002 0.000 1.039 67 R CB 0.236 30.542 30.300 0.010 0.000 1.904 67 R HN 0.494 nan 8.270 nan 0.000 0.529 68 T N -1.803 112.753 114.554 0.003 0.000 2.912 68 T HA 0.551 4.907 4.350 0.010 0.000 0.299 68 T C -0.683 174.021 174.700 0.007 0.000 1.052 68 T CA -0.745 61.355 62.100 -0.000 0.000 0.996 68 T CB 1.684 70.550 68.868 -0.004 0.000 1.070 68 T HN 0.692 nan 8.240 nan 0.000 0.465 69 V N -0.258 119.659 119.914 0.004 0.000 2.733 69 V HA 0.664 4.791 4.120 0.010 0.000 0.306 69 V C -0.145 175.951 176.094 0.003 0.000 1.084 69 V CA -1.367 60.942 62.300 0.013 0.000 0.905 69 V CB 1.595 33.436 31.823 0.031 0.000 1.010 69 V HN 1.219 nan 8.190 nan 0.000 0.424 70 K N 2.969 123.372 120.400 0.005 0.000 2.489 70 K HA 0.120 4.446 4.320 0.010 0.000 0.278 70 K C 1.337 177.931 176.600 -0.010 0.000 1.000 70 K CA 0.213 56.497 56.287 -0.004 0.000 1.012 70 K CB 0.748 33.247 32.500 -0.002 0.000 0.903 70 K HN 0.922 nan 8.250 nan 0.000 0.485 71 K N 3.746 124.133 120.400 -0.021 0.000 2.049 71 K HA -0.322 4.004 4.320 0.010 0.000 0.219 71 K C 0.738 177.321 176.600 -0.028 0.000 1.056 71 K CA 2.554 58.822 56.287 -0.031 0.000 0.946 71 K CB -0.121 32.355 32.500 -0.039 0.000 0.723 71 K HN 0.736 nan 8.250 nan 0.000 0.453 72 D N 1.165 121.551 120.400 -0.023 0.000 2.205 72 D HA -0.224 4.422 4.640 0.010 0.000 0.190 72 D C 1.609 177.906 176.300 -0.006 0.000 1.002 72 D CA 1.704 55.693 54.000 -0.018 0.000 0.848 72 D CB -0.787 40.005 40.800 -0.012 0.000 0.975 72 D HN 0.410 nan 8.370 nan 0.000 0.449 73 D N 0.848 121.257 120.400 0.015 0.000 2.280 73 D HA -0.101 4.545 4.640 0.010 0.000 0.206 73 D C 1.152 177.479 176.300 0.046 0.000 0.988 73 D CA 0.388 54.418 54.000 0.051 0.000 0.886 73 D CB -0.079 40.763 40.800 0.070 0.000 0.914 73 D HN 0.352 nan 8.370 nan 0.000 0.473 74 I N 1.289 121.860 120.570 0.001 0.000 2.892 74 I HA -0.083 4.093 4.170 0.010 0.000 0.287 74 I C 0.924 176.984 176.117 -0.096 0.000 1.205 74 I CA 0.300 61.580 61.300 -0.034 0.000 1.409 74 I CB 0.423 38.393 38.000 -0.050 0.000 1.367 74 I HN -0.189 nan 8.210 nan 0.000 0.597 75 Q N 3.323 123.034 119.800 -0.149 0.000 2.387 75 Q HA 0.432 4.779 4.340 0.010 0.000 0.273 75 Q C -1.094 174.828 176.000 -0.130 0.000 1.089 75 Q CA -0.662 55.019 55.803 -0.204 0.000 0.824 75 Q CB 2.247 30.727 28.738 -0.431 0.000 1.367 75 Q HN 0.526 nan 8.270 nan 0.000 0.443 76 S N 1.704 117.279 115.700 -0.208 0.000 2.429 76 S HA 0.406 4.882 4.470 0.010 0.000 0.302 76 S C -0.133 174.364 174.600 -0.172 0.000 1.115 76 S CA -0.419 57.583 58.200 -0.330 0.000 1.095 76 S CB 0.400 63.167 63.200 -0.722 0.000 0.987 76 S HN 0.487 nan 8.310 nan 0.000 0.474 77 M N 4.160 123.790 119.600 0.049 0.000 2.233 77 M HA 0.237 4.724 4.480 0.010 0.000 0.350 77 M C -0.411 176.189 176.300 0.501 0.000 1.176 77 M CA -0.175 55.310 55.300 0.309 0.000 1.150 77 M CB 0.257 32.821 32.600 -0.060 0.000 1.530 77 M HN 0.538 nan 8.290 nan 0.000 0.459 78 N N 5.212 124.213 118.700 0.501 0.000 2.493 78 N HA 0.484 5.230 4.740 0.010 0.000 0.275 78 N C -2.531 173.056 175.510 0.128 0.000 1.186 78 N CA -0.781 52.523 53.050 0.423 0.000 0.978 78 N CB 0.551 39.216 38.487 0.296 0.000 1.184 78 N HN 0.440 nan 8.380 nan 0.000 0.487 79 P HA 0.121 nan 4.420 nan 0.000 0.274 79 P C -2.186 174.901 177.300 -0.355 0.000 1.246 79 P CA -1.153 61.455 63.100 -0.820 0.000 0.795 79 P CB 0.375 31.812 31.700 -0.439 0.000 1.006 80 P HA -0.075 nan 4.420 nan 0.000 0.250 80 P C 1.101 178.358 177.300 -0.072 0.000 1.239 80 P CA 0.877 63.904 63.100 -0.121 0.000 0.756 80 P CB 0.089 31.725 31.700 -0.107 0.000 1.013 81 K N 0.514 120.847 120.400 -0.111 0.000 1.991 81 K HA -0.025 4.301 4.320 0.010 0.000 0.208 81 K C 1.247 177.714 176.600 -0.222 0.000 1.038 81 K CA 0.889 57.043 56.287 -0.221 0.000 0.943 81 K CB -0.398 31.869 32.500 -0.388 0.000 0.736 81 K HN -0.032 nan 8.250 nan 0.000 0.440 82 F N 2.799 122.753 119.950 0.006 0.000 2.738 82 F HA 0.052 4.587 4.527 0.014 0.000 0.301 82 F C 0.618 176.469 175.800 0.083 0.000 1.269 82 F CA 0.090 58.117 58.000 0.046 0.000 1.441 82 F CB -0.342 38.690 39.000 0.054 0.000 1.101 82 F HN 0.078 nan 8.300 nan 0.000 0.545 83 E N 2.125 122.433 120.200 0.180 0.000 2.415 83 E HA 0.075 4.431 4.350 0.010 0.000 0.260 83 E C 0.877 177.540 176.600 0.105 0.000 1.016 83 E CA 0.628 57.135 56.400 0.178 0.000 0.924 83 E CB 0.306 30.090 29.700 0.140 0.000 0.961 83 E HN 0.404 nan 8.360 nan 0.000 0.459 84 K N 2.547 122.986 120.400 0.066 0.000 3.148 84 K HA -0.221 4.105 4.320 0.010 0.000 0.267 84 K C 0.179 176.826 176.600 0.078 0.000 0.996 84 K CA 1.188 57.493 56.287 0.030 0.000 0.737 84 K CB -2.504 29.999 32.500 0.005 0.000 1.308 84 K HN 0.454 nan 8.250 nan 0.000 0.470 85 L N -0.082 121.219 121.223 0.130 0.000 2.473 85 L HA 0.402 4.748 4.340 0.010 0.000 0.265 85 L C 1.475 178.429 176.870 0.140 0.000 1.243 85 L CA 0.702 55.639 54.840 0.161 0.000 0.822 85 L CB 0.924 43.134 42.059 0.252 0.000 1.101 85 L HN 0.532 nan 8.230 nan 0.000 0.507 86 E N 0.383 120.682 120.200 0.166 0.000 2.062 86 E HA 0.064 4.420 4.350 0.010 0.000 0.196 86 E C -0.072 176.674 176.600 0.243 0.000 0.949 86 E CA 0.993 57.507 56.400 0.190 0.000 0.889 86 E CB -0.296 29.544 29.700 0.233 0.000 0.928 86 E HN 0.719 nan 8.360 nan 0.000 0.476 87 D N 0.294 120.864 120.400 0.285 0.000 2.558 87 D HA 0.079 4.726 4.640 0.010 0.000 0.221 87 D C 0.511 176.932 176.300 0.201 0.000 1.143 87 D CA 0.032 54.204 54.000 0.287 0.000 1.010 87 D CB -0.158 40.790 40.800 0.247 0.000 1.068 87 D HN 0.087 nan 8.370 nan 0.000 0.511 88 M N 1.318 121.020 119.600 0.170 0.000 2.254 88 M HA -0.348 4.138 4.480 0.010 0.000 0.252 88 M C 2.122 178.469 176.300 0.079 0.000 1.094 88 M CA 1.470 56.843 55.300 0.121 0.000 1.053 88 M CB -0.353 32.297 32.600 0.083 0.000 1.371 88 M HN 0.466 nan 8.290 nan 0.000 0.405 89 A N 0.475 123.351 122.820 0.093 0.000 2.093 89 A HA -0.222 4.104 4.320 0.010 0.000 0.222 89 A C 1.697 179.301 177.584 0.032 0.000 1.162 89 A CA 2.301 54.375 52.037 0.061 0.000 0.655 89 A CB -0.866 18.188 19.000 0.089 0.000 0.805 89 A HN 0.598 nan 8.150 nan 0.000 0.461 90 N N -0.821 117.922 118.700 0.071 0.000 2.409 90 N HA 0.089 4.835 4.740 0.010 0.000 0.179 90 N C 0.443 175.851 175.510 -0.171 0.000 1.032 90 N CA 0.305 53.413 53.050 0.096 0.000 0.898 90 N CB -0.409 38.242 38.487 0.272 0.000 0.971 90 N HN 0.554 nan 8.380 nan 0.000 0.441 91 M N 0.402 119.779 119.600 -0.371 0.000 2.245 91 M HA -0.059 4.427 4.480 0.010 0.000 0.335 91 M C 1.505 177.329 176.300 -0.793 0.000 1.155 91 M CA 0.258 54.970 55.300 -0.980 0.000 1.055 91 M CB 0.508 32.867 32.600 -0.401 0.000 1.670 91 M HN 0.227 nan 8.290 nan 0.000 0.447 92 T N -0.392 113.523 114.554 -1.065 0.000 2.867 92 T HA -0.092 4.264 4.350 0.010 0.000 0.268 92 T C -0.039 174.306 174.700 -0.592 0.000 1.057 92 T CA 1.058 62.750 62.100 -0.681 0.000 1.136 92 T CB -0.135 68.302 68.868 -0.720 0.000 0.874 92 T HN 0.497 nan 8.240 nan 0.000 0.466 93 Y N 0.312 120.490 120.300 -0.203 0.000 2.331 93 Y HA 0.643 5.203 4.550 0.016 0.000 0.334 93 Y C -0.172 175.671 175.900 -0.095 0.000 0.960 93 Y CA -2.275 55.770 58.100 -0.092 0.000 1.130 93 Y CB 1.684 40.136 38.460 -0.014 0.000 1.164 93 Y HN 0.035 nan 8.280 nan 0.000 0.458 94 L N 4.995 126.270 121.223 0.087 0.000 3.083 94 L HA 0.382 4.728 4.340 0.010 0.000 0.286 94 L C -0.505 176.370 176.870 0.008 0.000 1.307 94 L CA -0.330 54.522 54.840 0.019 0.000 0.897 94 L CB -0.437 41.615 42.059 -0.011 0.000 1.306 94 L HN 0.725 nan 8.230 nan 0.000 0.569 95 N N -2.060 116.643 118.700 0.005 0.000 2.418 95 N HA 0.016 4.763 4.740 0.010 0.000 0.283 95 N C 0.683 176.156 175.510 -0.061 0.000 1.267 95 N CA -0.471 52.559 53.050 -0.033 0.000 0.975 95 N CB 0.248 38.696 38.487 -0.064 0.000 1.167 95 N HN 0.177 nan 8.380 nan 0.000 0.581 96 E N -1.719 118.448 120.200 -0.054 0.000 2.510 96 E HA -0.097 4.259 4.350 0.010 0.000 0.202 96 E C 0.467 177.058 176.600 -0.015 0.000 1.072 96 E CA 0.753 57.144 56.400 -0.016 0.000 0.883 96 E CB -0.209 29.515 29.700 0.041 0.000 0.818 96 E HN 0.644 nan 8.360 nan 0.000 0.548 97 A N -0.846 121.863 122.820 -0.185 0.000 2.048 97 A HA 0.137 4.463 4.320 0.010 0.000 0.197 97 A C 1.985 179.266 177.584 -0.505 0.000 1.486 97 A CA 0.090 51.894 52.037 -0.389 0.000 1.029 97 A CB 0.247 18.692 19.000 -0.926 0.000 1.101 97 A HN 0.170 nan 8.150 nan 0.000 0.470 98 S N 0.603 116.121 115.700 -0.304 0.000 2.402 98 S HA -0.123 4.354 4.470 0.010 0.000 0.229 98 S C 1.826 176.388 174.600 -0.064 0.000 1.021 98 S CA 1.590 59.706 58.200 -0.141 0.000 0.974 98 S CB -0.363 62.851 63.200 0.023 0.000 0.800 98 S HN 0.361 nan 8.310 nan 0.000 0.484 99 V N 2.199 122.066 119.914 -0.079 0.000 2.343 99 V HA -0.149 3.977 4.120 0.010 0.000 0.247 99 V C 2.171 178.230 176.094 -0.059 0.000 1.051 99 V CA 1.505 63.776 62.300 -0.049 0.000 1.036 99 V CB -0.839 30.950 31.823 -0.057 0.000 0.654 99 V HN 0.415 nan 8.190 nan 0.000 0.451 100 L N -0.753 120.408 121.223 -0.104 0.000 1.976 100 L HA -0.237 4.109 4.340 0.010 0.000 0.209 100 L C 2.566 179.393 176.870 -0.071 0.000 1.071 100 L CA 2.186 56.966 54.840 -0.101 0.000 0.746 100 L CB -0.543 41.442 42.059 -0.123 0.000 0.890 100 L HN 0.409 nan 8.230 nan 0.000 0.432 101 Y N 0.980 121.138 120.300 -0.237 0.000 2.181 101 Y HA -0.374 4.182 4.550 0.009 0.000 0.284 101 Y C 2.486 178.414 175.900 0.048 0.000 1.179 101 Y CA 2.270 60.332 58.100 -0.064 0.000 1.179 101 Y CB -0.521 37.982 38.460 0.071 0.000 0.973 101 Y HN 0.401 nan 8.280 nan 0.000 0.519 102 N N 0.101 118.764 118.700 -0.062 0.000 2.131 102 N HA -0.148 4.598 4.740 0.010 0.000 0.190 102 N C 2.017 177.467 175.510 -0.100 0.000 1.055 102 N CA 1.529 54.517 53.050 -0.103 0.000 0.853 102 N CB -0.563 37.943 38.487 0.032 0.000 1.035 102 N HN 0.445 nan 8.380 nan 0.000 0.440 103 L N 1.463 122.656 121.223 -0.050 0.000 2.051 103 L HA -0.205 4.142 4.340 0.010 0.000 0.214 103 L C 2.884 179.736 176.870 -0.030 0.000 1.076 103 L CA 1.241 56.058 54.840 -0.039 0.000 0.758 103 L CB -0.397 41.636 42.059 -0.043 0.000 0.890 103 L HN 0.294 nan 8.230 nan 0.000 0.433 104 R N -0.344 120.127 120.500 -0.048 0.000 2.073 104 R HA -0.156 4.190 4.340 0.010 0.000 0.234 104 R C 2.315 178.614 176.300 -0.002 0.000 1.134 104 R CA 1.986 58.078 56.100 -0.013 0.000 0.952 104 R CB -0.254 30.036 30.300 -0.017 0.000 0.850 104 R HN 0.277 nan 8.270 nan 0.000 0.433 105 S N 0.417 116.054 115.700 -0.106 0.000 2.419 105 S HA -0.061 4.415 4.470 0.010 0.000 0.233 105 S C 1.811 176.374 174.600 -0.061 0.000 1.016 105 S CA 0.987 59.115 58.200 -0.119 0.000 0.974 105 S CB -0.109 62.917 63.200 -0.290 0.000 0.786 105 S HN 0.394 nan 8.310 nan 0.000 0.492 106 R N -0.490 119.983 120.500 -0.045 0.000 2.093 106 R HA -0.000 4.346 4.340 0.010 0.000 0.224 106 R C 2.135 178.420 176.300 -0.025 0.000 1.101 106 R CA 1.113 57.195 56.100 -0.030 0.000 0.979 106 R CB -0.411 29.874 30.300 -0.024 0.000 0.877 106 R HN 0.497 nan 8.270 nan 0.000 0.441 107 Y N 2.250 122.493 120.300 -0.096 0.000 2.293 107 Y HA -0.153 4.404 4.550 0.012 0.000 0.291 107 Y C 1.805 177.654 175.900 -0.085 0.000 1.137 107 Y CA 1.681 59.719 58.100 -0.103 0.000 1.202 107 Y CB -0.115 38.284 38.460 -0.101 0.000 0.990 107 Y HN -0.041 nan 8.280 nan 0.000 0.537 108 T N -2.157 112.368 114.554 -0.047 0.000 3.215 108 T HA 0.041 4.397 4.350 0.010 0.000 0.254 108 T C 1.142 175.761 174.700 -0.135 0.000 1.149 108 T CA 0.822 62.864 62.100 -0.097 0.000 1.042 108 T CB -0.225 68.656 68.868 0.023 0.000 0.966 108 T HN 0.284 nan 8.240 nan 0.000 0.534 109 S N 0.089 115.694 115.700 -0.160 0.000 2.666 109 S HA 0.493 4.969 4.470 0.010 0.000 0.239 109 S C 1.629 176.123 174.600 -0.176 0.000 1.031 109 S CA -0.167 57.965 58.200 -0.114 0.000 1.015 109 S CB 0.619 63.790 63.200 -0.047 0.000 0.981 109 S HN 0.717 nan 8.310 nan 0.000 0.547 110 G N 2.263 110.879 108.800 -0.307 0.000 2.160 110 G HA2 -0.277 3.689 3.960 0.010 0.000 0.251 110 G HA3 -0.277 3.689 3.960 0.010 0.000 0.251 110 G C 0.659 175.433 174.900 -0.210 0.000 1.008 110 G CA 0.670 45.544 45.100 -0.377 0.000 0.724 110 G HN 0.456 nan 8.290 nan 0.000 0.514 111 L N -0.979 120.166 121.223 -0.130 0.000 1.961 111 L HA 0.063 4.409 4.340 0.010 0.000 0.210 111 L C 2.196 179.028 176.870 -0.063 0.000 1.072 111 L CA 1.192 56.005 54.840 -0.044 0.000 0.749 111 L CB -0.376 41.666 42.059 -0.028 0.000 0.889 111 L HN 0.455 nan 8.230 nan 0.000 0.432 112 I N -1.497 118.988 120.570 -0.142 0.000 5.908 112 I HA -0.329 3.847 4.170 0.010 0.000 0.126 112 I C -1.365 174.389 176.117 -0.605 0.000 1.818 112 I CA 0.794 61.905 61.300 -0.314 0.000 2.044 112 I CB -1.433 36.350 38.000 -0.362 0.000 3.408 112 I HN 0.256 nan 8.210 nan 0.000 0.171 113 Y N -0.576 119.646 120.300 -0.129 0.000 2.474 113 Y HA 0.595 5.152 4.550 0.011 0.000 0.326 113 Y C 0.143 175.929 175.900 -0.190 0.000 1.160 113 Y CA -0.590 57.392 58.100 -0.195 0.000 1.056 113 Y CB 1.895 40.202 38.460 -0.255 0.000 1.330 113 Y HN 0.074 nan 8.280 nan 0.000 0.447 114 T N 1.862 116.376 114.554 -0.065 0.000 3.435 114 T HA 0.217 4.573 4.350 0.010 0.000 0.344 114 T C -0.503 174.175 174.700 -0.037 0.000 1.211 114 T CA -0.795 61.273 62.100 -0.053 0.000 1.104 114 T CB 0.515 69.394 68.868 0.018 0.000 1.196 114 T HN 0.490 nan 8.240 nan 0.000 0.471 115 Y N 1.166 121.576 120.300 0.183 0.000 2.365 115 Y HA 0.271 4.827 4.550 0.010 0.000 0.293 115 Y C 1.818 177.844 175.900 0.210 0.000 1.119 115 Y CA 0.420 58.647 58.100 0.210 0.000 1.203 115 Y CB 0.153 38.730 38.460 0.195 0.000 1.026 115 Y HN 0.784 nan 8.280 nan 0.000 0.549 116 S N 0.543 116.431 115.700 0.312 0.000 3.272 116 S HA -0.078 4.398 4.470 0.010 0.000 0.355 116 S C 0.821 175.553 174.600 0.220 0.000 0.875 116 S CA 0.899 59.225 58.200 0.210 0.000 1.357 116 S CB -1.268 62.004 63.200 0.119 0.000 1.069 116 S HN 1.230 nan 8.310 nan 0.000 0.561 117 G N 1.536 110.469 108.800 0.221 0.000 2.728 117 G HA2 -0.064 3.902 3.960 0.010 0.000 0.269 117 G HA3 -0.064 3.902 3.960 0.010 0.000 0.269 117 G C 0.669 175.738 174.900 0.281 0.000 1.334 117 G CA 0.953 46.179 45.100 0.209 0.000 0.974 117 G HN 2.023 nan 8.290 nan 0.000 0.550 118 L N -0.754 120.722 121.223 0.422 0.000 2.906 118 L HA 0.837 5.184 4.340 0.010 0.000 0.255 118 L C 1.019 178.181 176.870 0.487 0.000 1.166 118 L CA 0.652 55.736 54.840 0.406 0.000 0.977 118 L CB -0.857 41.398 42.059 0.328 0.000 1.313 118 L HN 0.501 nan 8.230 nan 0.000 0.549 119 F N -2.263 117.827 119.950 0.235 0.000 2.635 119 F HA 0.742 5.278 4.527 0.016 0.000 0.362 119 F C 1.035 177.022 175.800 0.311 0.000 1.182 119 F CA -0.882 57.281 58.000 0.272 0.000 1.119 119 F CB 0.905 40.032 39.000 0.213 0.000 1.713 119 F HN -0.152 nan 8.300 nan 0.000 0.512 120 C N 1.917 121.509 119.300 0.487 0.000 3.482 120 C HA 0.464 4.930 4.460 0.010 0.000 0.299 120 C C -0.122 175.006 174.990 0.231 0.000 2.619 120 C CA -0.748 58.476 59.018 0.344 0.000 1.533 120 C CB -1.971 25.969 27.740 0.333 0.000 3.079 120 C HN 0.464 nan 8.230 nan 0.000 0.433 121 I N 2.929 123.627 120.570 0.213 0.000 3.153 121 I HA 0.091 4.267 4.170 0.010 0.000 0.330 121 I C 0.721 176.820 176.117 -0.031 0.000 1.198 121 I CA 1.568 62.923 61.300 0.091 0.000 1.475 121 I CB 0.370 38.400 38.000 0.050 0.000 1.295 121 I HN 0.631 nan 8.210 nan 0.000 0.540 122 A N 6.779 129.536 122.820 -0.105 0.000 2.547 122 A HA 0.539 4.865 4.320 0.010 0.000 0.279 122 A C -0.583 176.865 177.584 -0.227 0.000 1.088 122 A CA -0.640 51.223 52.037 -0.291 0.000 0.796 122 A CB 1.024 19.776 19.000 -0.413 0.000 1.308 122 A HN 0.592 nan 8.150 nan 0.000 0.415 123 V N 1.079 120.867 119.914 -0.210 0.000 2.649 123 V HA 0.435 4.562 4.120 0.010 0.000 0.292 123 V C 0.497 176.482 176.094 -0.182 0.000 1.055 123 V CA -0.831 61.365 62.300 -0.173 0.000 1.023 123 V CB 1.187 32.931 31.823 -0.132 0.000 0.992 123 V HN 0.812 nan 8.190 nan 0.000 0.480 124 N N 6.247 124.793 118.700 -0.256 0.000 2.447 124 N HA 0.174 4.921 4.740 0.010 0.000 0.263 124 N C -1.347 174.008 175.510 -0.260 0.000 1.226 124 N CA -1.298 51.528 53.050 -0.373 0.000 0.906 124 N CB 1.564 39.660 38.487 -0.651 0.000 1.060 124 N HN 0.635 nan 8.380 nan 0.000 0.468 125 P HA -0.013 nan 4.420 nan 0.000 0.220 125 P C -0.476 176.865 177.300 0.068 0.000 1.154 125 P CA 0.597 63.700 63.100 0.006 0.000 0.837 125 P CB 0.459 32.112 31.700 -0.078 0.000 0.815 126 Y N -0.212 120.111 120.300 0.038 0.000 3.178 126 Y HA -0.205 4.351 4.550 0.010 0.000 0.200 126 Y C 0.494 176.397 175.900 0.005 0.000 1.427 126 Y CA -0.204 57.909 58.100 0.022 0.000 1.250 126 Y CB -1.657 36.825 38.460 0.037 0.000 1.421 126 Y HN 0.176 nan 8.280 nan 0.000 0.506 127 R N 0.351 120.926 120.500 0.125 0.000 2.980 127 R HA 0.358 4.705 4.340 0.010 0.000 0.211 127 R C -0.095 176.235 176.300 0.051 0.000 1.542 127 R CA 0.252 56.392 56.100 0.066 0.000 0.924 127 R CB 0.186 30.499 30.300 0.022 0.000 1.492 127 R HN 0.367 nan 8.270 nan 0.000 0.436 128 R N 3.488 124.024 120.500 0.059 0.000 3.150 128 R HA -0.069 4.277 4.340 0.010 0.000 0.279 128 R C -0.270 176.101 176.300 0.118 0.000 0.742 128 R CA 1.004 57.143 56.100 0.064 0.000 1.080 128 R CB -0.922 29.406 30.300 0.048 0.000 0.918 128 R HN 0.427 nan 8.270 nan 0.000 0.386 129 L N 4.793 126.137 121.223 0.202 0.000 2.421 129 L HA 0.431 4.777 4.340 0.010 0.000 0.263 129 L C -0.753 176.352 176.870 0.392 0.000 1.122 129 L CA -1.933 53.081 54.840 0.291 0.000 0.804 129 L CB 2.012 44.260 42.059 0.315 0.000 1.150 129 L HN 0.609 nan 8.230 nan 0.000 0.457 130 P HA 0.051 nan 4.420 nan 0.000 0.261 130 P C 0.618 178.077 177.300 0.264 0.000 1.268 130 P CA 0.320 63.596 63.100 0.294 0.000 0.833 130 P CB 0.040 31.866 31.700 0.210 0.000 1.231 131 I N -4.049 116.659 120.570 0.231 0.000 3.309 131 I HA 0.156 4.333 4.170 0.010 0.000 0.287 131 I C -0.123 175.847 176.117 -0.245 0.000 1.221 131 I CA 0.107 61.408 61.300 0.001 0.000 1.575 131 I CB -1.169 36.801 38.000 -0.051 0.000 1.254 131 I HN -0.221 nan 8.210 nan 0.000 0.600 132 Y N -0.198 120.252 120.300 0.250 0.000 2.729 132 Y HA 0.135 4.691 4.550 0.010 0.000 0.266 132 Y C 1.530 177.581 175.900 0.251 0.000 1.064 132 Y CA -0.196 58.107 58.100 0.339 0.000 1.251 132 Y CB -0.107 38.482 38.460 0.215 0.000 1.379 132 Y HN 0.374 nan 8.280 nan 0.000 0.569 133 T N -2.116 112.588 114.554 0.249 0.000 2.791 133 T HA -0.063 4.294 4.350 0.010 0.000 0.323 133 T C 0.809 175.553 174.700 0.073 0.000 1.082 133 T CA 0.418 62.606 62.100 0.146 0.000 1.084 133 T CB 0.717 69.641 68.868 0.092 0.000 0.992 133 T HN 0.105 nan 8.240 nan 0.000 0.547 134 D N 0.307 120.736 120.400 0.048 0.000 2.149 134 D HA -0.108 4.538 4.640 0.010 0.000 0.198 134 D C 2.274 178.549 176.300 -0.042 0.000 0.990 134 D CA 1.698 55.699 54.000 0.003 0.000 0.839 134 D CB -0.426 40.385 40.800 0.017 0.000 0.948 134 D HN 0.653 nan 8.370 nan 0.000 0.460 135 S N -0.365 115.320 115.700 -0.024 0.000 2.392 135 S HA -0.196 4.281 4.470 0.010 0.000 0.232 135 S C 1.960 176.533 174.600 -0.045 0.000 1.041 135 S CA 1.552 59.728 58.200 -0.041 0.000 1.026 135 S CB -0.356 62.822 63.200 -0.036 0.000 0.845 135 S HN 0.115 nan 8.310 nan 0.000 0.465 136 V N 2.113 121.995 119.914 -0.054 0.000 2.255 136 V HA -0.097 4.029 4.120 0.010 0.000 0.243 136 V C 2.411 178.282 176.094 -0.371 0.000 1.038 136 V CA 1.918 64.162 62.300 -0.094 0.000 1.008 136 V CB -0.937 30.784 31.823 -0.170 0.000 0.645 136 V HN 0.518 nan 8.190 nan 0.000 0.449 137 I N 1.124 121.286 120.570 -0.680 0.000 2.143 137 I HA -0.366 3.810 4.170 0.010 0.000 0.245 137 I C 2.691 178.650 176.117 -0.264 0.000 1.068 137 I CA 2.073 62.883 61.300 -0.816 0.000 1.326 137 I CB -0.707 37.097 38.000 -0.328 0.000 1.028 137 I HN 0.340 nan 8.210 nan 0.000 0.412 138 A N 0.354 123.104 122.820 -0.116 0.000 1.930 138 A HA -0.231 4.096 4.320 0.010 0.000 0.217 138 A C 2.267 179.845 177.584 -0.010 0.000 1.175 138 A CA 1.802 53.822 52.037 -0.030 0.000 0.627 138 A CB -0.455 18.525 19.000 -0.032 0.000 0.815 138 A HN 0.291 nan 8.150 nan 0.000 0.443 139 K N -1.346 119.050 120.400 -0.007 0.000 2.281 139 K HA -0.135 4.191 4.320 0.010 0.000 0.203 139 K C 0.344 176.915 176.600 -0.047 0.000 1.046 139 K CA 1.264 57.542 56.287 -0.015 0.000 0.938 139 K CB -0.381 32.147 32.500 0.048 0.000 0.737 139 K HN 0.559 nan 8.250 nan 0.000 0.458 140 Y N -0.231 119.973 120.300 -0.160 0.000 2.658 140 Y HA 0.278 4.834 4.550 0.010 0.000 0.276 140 Y C -0.137 175.773 175.900 0.016 0.000 1.167 140 Y CA -0.720 57.314 58.100 -0.110 0.000 1.230 140 Y CB 0.188 38.480 38.460 -0.280 0.000 1.144 140 Y HN -0.155 nan 8.280 nan 0.000 0.529 141 R N 0.552 121.133 120.500 0.134 0.000 2.316 141 R HA 0.424 4.770 4.340 0.010 0.000 0.314 141 R C 1.365 177.727 176.300 0.102 0.000 1.069 141 R CA 0.891 57.073 56.100 0.136 0.000 0.959 141 R CB -0.031 30.314 30.300 0.076 0.000 0.987 141 R HN 0.486 nan 8.270 nan 0.000 0.446 142 G N 3.332 112.211 108.800 0.132 0.000 2.382 142 G HA2 -0.348 3.618 3.960 0.010 0.000 0.259 142 G HA3 -0.348 3.618 3.960 0.010 0.000 0.259 142 G C -0.172 174.764 174.900 0.061 0.000 1.009 142 G CA 0.732 45.883 45.100 0.084 0.000 0.625 142 G HN 0.576 nan 8.290 nan 0.000 0.541 143 K N 1.581 122.014 120.400 0.054 0.000 2.527 143 K HA 0.455 4.781 4.320 0.010 0.000 0.278 143 K C 1.298 177.923 176.600 0.041 0.000 0.981 143 K CA 0.876 57.176 56.287 0.022 0.000 1.009 143 K CB 0.087 32.569 32.500 -0.029 0.000 0.895 143 K HN 0.871 nan 8.250 nan 0.000 0.493 144 R N 2.057 122.568 120.500 0.018 0.000 2.879 144 R HA 0.289 4.636 4.340 0.010 0.000 0.219 144 R C 1.710 178.019 176.300 0.015 0.000 1.167 144 R CA 1.234 57.344 56.100 0.016 0.000 1.062 144 R CB -1.003 29.296 30.300 -0.001 0.000 1.093 144 R HN 0.684 nan 8.270 nan 0.000 0.510 145 K N -0.690 119.697 120.400 -0.021 0.000 2.360 145 K HA 0.148 4.474 4.320 0.010 0.000 0.196 145 K C 1.659 178.205 176.600 -0.090 0.000 1.049 145 K CA 1.186 57.428 56.287 -0.075 0.000 1.049 145 K CB -0.204 32.173 32.500 -0.205 0.000 0.881 145 K HN 0.616 nan 8.250 nan 0.000 0.542 146 T N 0.716 115.244 114.554 -0.043 0.000 3.163 146 T HA 0.078 4.434 4.350 0.010 0.000 0.252 146 T C 1.331 176.049 174.700 0.030 0.000 1.056 146 T CA 0.817 62.911 62.100 -0.010 0.000 0.947 146 T CB 0.187 69.048 68.868 -0.011 0.000 1.016 146 T HN 0.784 nan 8.240 nan 0.000 0.554 147 E N 0.904 121.128 120.200 0.040 0.000 2.444 147 E HA 0.319 4.675 4.350 0.010 0.000 0.203 147 E C 0.859 177.532 176.600 0.122 0.000 0.847 147 E CA -0.165 56.273 56.400 0.062 0.000 1.142 147 E CB -0.126 29.598 29.700 0.040 0.000 1.125 147 E HN 0.341 nan 8.360 nan 0.000 0.521 148 I N 2.571 123.180 120.570 0.065 0.000 2.529 148 I HA 0.435 4.612 4.170 0.010 0.000 0.284 148 I C -2.076 174.080 176.117 0.064 0.000 1.082 148 I CA -2.426 58.874 61.300 -0.000 0.000 1.406 148 I CB -0.430 37.387 38.000 -0.306 0.000 1.405 148 I HN 0.044 nan 8.210 nan 0.000 0.548 149 P HA 0.162 nan 4.420 nan 0.000 0.266 149 P C -2.529 174.877 177.300 0.176 0.000 1.186 149 P CA -0.535 62.606 63.100 0.067 0.000 0.767 149 P CB -0.335 31.277 31.700 -0.146 0.000 0.820 150 P HA 0.017 nan 4.420 nan 0.000 0.267 150 P C -0.496 176.735 177.300 -0.115 0.000 1.205 150 P CA 1.078 64.165 63.100 -0.022 0.000 0.765 150 P CB 0.368 31.801 31.700 -0.444 0.000 0.828 151 H N 2.486 121.321 119.070 -0.391 0.000 3.081 151 H HA 0.036 4.598 4.556 0.011 0.000 0.322 151 H C 0.385 175.218 175.328 -0.826 0.000 1.266 151 H CA -0.642 54.754 56.048 -1.087 0.000 1.279 151 H CB 0.942 30.231 29.762 -0.788 0.000 1.954 151 H HN 0.300 nan 8.280 nan 0.000 0.530 152 L N 3.480 123.955 121.223 -1.247 0.000 2.011 152 L HA -0.252 4.095 4.340 0.010 0.000 0.225 152 L C 1.388 178.252 176.870 -0.010 0.000 1.084 152 L CA 2.367 57.009 54.840 -0.330 0.000 0.791 152 L CB -0.641 41.217 42.059 -0.335 0.000 0.898 152 L HN 0.511 nan 8.230 nan 0.000 0.440 153 F N 0.761 120.733 119.950 0.036 0.000 2.132 153 F HA -0.431 4.102 4.527 0.011 0.000 0.294 153 F C 2.964 178.618 175.800 -0.244 0.000 1.157 153 F CA 2.273 59.903 58.000 -0.617 0.000 1.258 153 F CB -1.538 36.566 39.000 -1.493 0.000 0.927 153 F HN 0.407 nan 8.300 nan 0.000 0.535 154 S N -0.064 115.756 115.700 0.199 0.000 2.428 154 S HA -0.194 4.282 4.470 0.010 0.000 0.240 154 S C 2.022 176.795 174.600 0.289 0.000 1.036 154 S CA 2.115 60.535 58.200 0.367 0.000 1.009 154 S CB -1.310 62.183 63.200 0.489 0.000 0.803 154 S HN 0.199 nan 8.310 nan 0.000 0.486 155 V N 0.437 120.510 119.914 0.264 0.000 2.867 155 V HA -0.049 4.077 4.120 0.010 0.000 0.260 155 V C 2.561 178.719 176.094 0.108 0.000 1.099 155 V CA 1.519 63.940 62.300 0.202 0.000 1.122 155 V CB -1.020 30.927 31.823 0.207 0.000 0.708 155 V HN 0.707 nan 8.190 nan 0.000 0.490 156 A N -0.701 122.260 122.820 0.236 0.000 1.963 156 A HA -0.048 4.278 4.320 0.010 0.000 0.207 156 A C 2.123 179.859 177.584 0.253 0.000 1.243 156 A CA 0.775 52.956 52.037 0.240 0.000 0.728 156 A CB -0.361 18.897 19.000 0.429 0.000 0.895 156 A HN 0.418 nan 8.150 nan 0.000 0.467 157 D N 0.221 120.880 120.400 0.432 0.000 2.221 157 D HA -0.164 4.482 4.640 0.010 0.000 0.204 157 D C 1.549 177.992 176.300 0.238 0.000 0.982 157 D CA 1.091 55.310 54.000 0.364 0.000 0.857 157 D CB -0.185 40.874 40.800 0.432 0.000 0.934 157 D HN 0.566 nan 8.370 nan 0.000 0.475 158 N N -0.501 118.289 118.700 0.150 0.000 2.290 158 N HA -0.022 4.724 4.740 0.010 0.000 0.179 158 N C 1.435 176.936 175.510 -0.014 0.000 1.016 158 N CA 0.563 53.647 53.050 0.057 0.000 0.871 158 N CB 0.159 38.667 38.487 0.036 0.000 0.987 158 N HN 0.034 nan 8.380 nan 0.000 0.431 159 A N -0.366 122.382 122.820 -0.121 0.000 2.252 159 A HA -0.083 4.243 4.320 0.010 0.000 0.207 159 A C 1.246 178.877 177.584 0.078 0.000 1.194 159 A CA 0.364 52.258 52.037 -0.239 0.000 0.809 159 A CB -0.348 18.355 19.000 -0.496 0.000 0.814 159 A HN 0.467 nan 8.150 nan 0.000 0.482 160 Y N 0.318 120.583 120.300 -0.058 0.000 2.447 160 Y HA -0.003 4.553 4.550 0.010 0.000 0.286 160 Y C 2.389 178.233 175.900 -0.093 0.000 1.153 160 Y CA 1.338 59.395 58.100 -0.072 0.000 1.241 160 Y CB -0.403 37.999 38.460 -0.096 0.000 1.284 160 Y HN 0.504 nan 8.280 nan 0.000 0.520 161 Q N -0.415 119.308 119.800 -0.128 0.000 2.311 161 Q HA -0.010 4.337 4.340 0.010 0.000 0.203 161 Q C 1.380 177.292 176.000 -0.147 0.000 0.954 161 Q CA 1.285 56.939 55.803 -0.248 0.000 0.885 161 Q CB -1.155 27.481 28.738 -0.171 0.000 0.963 161 Q HN 0.599 nan 8.270 nan 0.000 0.471 162 N N 1.294 119.945 118.700 -0.082 0.000 2.515 162 N HA 0.098 4.844 4.740 0.010 0.000 0.191 162 N C 1.333 176.789 175.510 -0.091 0.000 1.182 162 N CA 0.901 53.891 53.050 -0.101 0.000 0.879 162 N CB -0.149 38.278 38.487 -0.100 0.000 0.984 162 N HN 0.432 nan 8.380 nan 0.000 0.453 163 M N -1.111 118.447 119.600 -0.069 0.000 3.160 163 M HA 0.098 4.584 4.480 0.010 0.000 0.222 163 M C 1.586 177.834 176.300 -0.086 0.000 1.703 163 M CA 0.799 56.078 55.300 -0.035 0.000 1.354 163 M CB -0.017 32.617 32.600 0.057 0.000 1.115 163 M HN 0.119 nan 8.290 nan 0.000 0.594 164 V N 1.333 121.136 119.914 -0.185 0.000 2.252 164 V HA -0.275 3.851 4.120 0.010 0.000 0.249 164 V C 2.264 178.262 176.094 -0.160 0.000 1.056 164 V CA 2.643 64.809 62.300 -0.224 0.000 1.022 164 V CB -1.653 29.908 31.823 -0.437 0.000 0.641 164 V HN 0.613 nan 8.190 nan 0.000 0.445 165 T N -1.340 113.112 114.554 -0.170 0.000 2.995 165 T HA -0.120 4.236 4.350 0.010 0.000 0.269 165 T C 1.460 176.109 174.700 -0.085 0.000 1.091 165 T CA 1.224 63.252 62.100 -0.121 0.000 1.128 165 T CB -0.214 68.581 68.868 -0.122 0.000 0.891 165 T HN 0.460 nan 8.240 nan 0.000 0.492 166 D N 0.521 120.872 120.400 -0.082 0.000 2.369 166 D HA 0.140 4.787 4.640 0.010 0.000 0.211 166 D C 0.518 176.796 176.300 -0.036 0.000 1.077 166 D CA -0.073 53.891 54.000 -0.059 0.000 0.842 166 D CB 0.211 40.967 40.800 -0.074 0.000 0.947 166 D HN 0.176 nan 8.370 nan 0.000 0.509 167 R N 1.211 121.689 120.500 -0.038 0.000 3.502 167 R HA -0.228 4.118 4.340 0.010 0.000 0.266 167 R C 0.353 176.652 176.300 -0.002 0.000 1.077 167 R CA 1.097 57.188 56.100 -0.015 0.000 0.718 167 R CB -1.246 29.048 30.300 -0.010 0.000 1.120 167 R HN 0.532 nan 8.270 nan 0.000 0.457 168 E N -1.049 119.148 120.200 -0.006 0.000 2.524 168 E HA 0.444 4.801 4.350 0.010 0.000 0.219 168 E C -0.711 175.872 176.600 -0.028 0.000 0.776 168 E CA -1.049 55.352 56.400 0.001 0.000 0.944 168 E CB 1.062 30.775 29.700 0.021 0.000 1.719 168 E HN 0.184 nan 8.360 nan 0.000 0.384 169 N N -0.847 117.824 118.700 -0.048 0.000 2.265 169 N HA 0.277 5.023 4.740 0.010 0.000 0.300 169 N C -1.591 173.892 175.510 -0.044 0.000 1.148 169 N CA -0.630 52.321 53.050 -0.165 0.000 0.772 169 N CB 1.948 40.176 38.487 -0.431 0.000 1.434 169 N HN 0.243 nan 8.380 nan 0.000 0.481 170 Q N 0.950 120.732 119.800 -0.030 0.000 2.340 170 Q HA 0.414 4.760 4.340 0.010 0.000 0.268 170 Q C -1.037 175.041 176.000 0.131 0.000 1.031 170 Q CA -0.602 55.285 55.803 0.140 0.000 0.804 170 Q CB 1.879 30.772 28.738 0.258 0.000 1.286 170 Q HN 0.649 nan 8.270 nan 0.000 0.448 171 S N -0.309 115.476 115.700 0.141 0.000 2.718 171 S HA 0.723 5.199 4.470 0.010 0.000 0.300 171 S C -0.424 174.254 174.600 0.130 0.000 1.117 171 S CA -0.709 57.573 58.200 0.135 0.000 1.002 171 S CB 1.631 64.859 63.200 0.047 0.000 1.092 171 S HN 0.636 nan 8.310 nan 0.000 0.542 172 C N 2.277 121.644 119.300 0.112 0.000 3.432 172 C HA 0.424 4.890 4.460 0.010 0.000 0.242 172 C C -0.680 174.358 174.990 0.080 0.000 1.152 172 C CA -0.609 58.470 59.018 0.102 0.000 1.242 172 C CB -2.009 25.812 27.740 0.135 0.000 1.802 172 C HN 0.839 nan 8.230 nan 0.000 0.577 173 L N 3.476 124.708 121.223 0.016 0.000 2.473 173 L HA 0.457 4.803 4.340 0.010 0.000 0.268 173 L C 0.286 177.248 176.870 0.153 0.000 1.215 173 L CA 0.546 55.445 54.840 0.099 0.000 0.823 173 L CB 0.220 42.380 42.059 0.169 0.000 1.099 173 L HN 0.285 nan 8.230 nan 0.000 0.483 174 I N 0.936 121.593 120.570 0.145 0.000 2.493 174 I HA 0.274 4.451 4.170 0.010 0.000 0.279 174 I C 0.022 176.208 176.117 0.115 0.000 1.045 174 I CA -0.178 61.201 61.300 0.131 0.000 1.106 174 I CB 0.806 38.860 38.000 0.090 0.000 1.216 174 I HN 0.631 nan 8.210 nan 0.000 0.459 175 T N 3.121 117.756 114.554 0.134 0.000 2.814 175 T HA 0.881 5.237 4.350 0.010 0.000 0.284 175 T C 0.585 175.322 174.700 0.062 0.000 0.998 175 T CA -0.169 61.988 62.100 0.095 0.000 0.935 175 T CB 2.040 70.959 68.868 0.085 0.000 1.167 175 T HN 0.964 nan 8.240 nan 0.000 0.545 176 G N -0.428 108.396 108.800 0.039 0.000 2.325 176 G HA2 0.147 4.113 3.960 0.010 0.000 0.285 176 G HA3 0.147 4.113 3.960 0.010 0.000 0.285 176 G C -0.861 174.045 174.900 0.011 0.000 1.303 176 G CA -0.735 44.373 45.100 0.014 0.000 0.970 176 G HN 0.612 nan 8.290 nan 0.000 0.490 177 E N -0.847 119.348 120.200 -0.008 0.000 4.138 177 E HA 0.572 4.929 4.350 0.010 0.000 0.369 177 E C 0.138 176.732 176.600 -0.009 0.000 0.995 177 E CA -0.168 56.226 56.400 -0.011 0.000 2.264 177 E CB 0.759 30.440 29.700 -0.031 0.000 1.876 177 E HN 0.431 nan 8.360 nan 0.000 0.697 178 S N -1.047 114.642 115.700 -0.018 0.000 2.457 178 S HA 0.437 4.913 4.470 0.010 0.000 0.289 178 S C 0.466 175.066 174.600 0.001 0.000 1.163 178 S CA 0.382 58.577 58.200 -0.008 0.000 1.078 178 S CB 0.588 63.777 63.200 -0.017 0.000 0.987 178 S HN 0.733 nan 8.310 nan 0.000 0.482 179 G N 3.233 112.042 108.800 0.015 0.000 2.162 179 G HA2 -0.262 3.705 3.960 0.010 0.000 0.260 179 G HA3 -0.262 3.705 3.960 0.010 0.000 0.260 179 G C 0.911 175.816 174.900 0.008 0.000 0.976 179 G CA 0.272 45.398 45.100 0.042 0.000 0.655 179 G HN 1.382 nan 8.290 nan 0.000 0.533 180 A N 0.001 122.805 122.820 -0.026 0.000 2.172 180 A HA 0.514 4.840 4.320 0.010 0.000 0.216 180 A C 2.285 179.811 177.584 -0.097 0.000 1.154 180 A CA 1.875 53.870 52.037 -0.070 0.000 0.701 180 A CB -0.418 18.552 19.000 -0.049 0.000 0.789 180 A HN 2.554 nan 8.150 nan 0.000 0.465 181 G N -0.491 108.272 108.800 -0.061 0.000 2.871 181 G HA2 -0.161 3.805 3.960 0.010 0.000 0.262 181 G HA3 -0.161 3.805 3.960 0.010 0.000 0.262 181 G C 0.220 175.096 174.900 -0.041 0.000 1.126 181 G CA 0.352 45.413 45.100 -0.065 0.000 1.130 181 G HN 0.601 nan 8.290 nan 0.000 0.549 182 K N -0.845 119.545 120.400 -0.017 0.000 2.353 182 K HA 0.141 4.467 4.320 0.010 0.000 0.206 182 K C 1.459 178.059 176.600 0.000 0.000 1.191 182 K CA 0.737 57.025 56.287 0.002 0.000 0.897 182 K CB 0.051 32.560 32.500 0.015 0.000 1.283 182 K HN 0.207 nan 8.250 nan 0.000 0.477 183 T N 2.033 116.583 114.554 -0.006 0.000 3.802 183 T HA 0.127 4.483 4.350 0.010 0.000 0.243 183 T C 0.360 175.057 174.700 -0.004 0.000 0.934 183 T CA 0.481 62.575 62.100 -0.010 0.000 0.931 183 T CB -0.153 68.701 68.868 -0.023 0.000 1.167 183 T HN 0.163 nan 8.240 nan 0.000 0.655 184 E N 0.423 120.615 120.200 -0.013 0.000 2.820 184 E HA 0.062 4.419 4.350 0.010 0.000 0.210 184 E C 1.218 177.789 176.600 -0.049 0.000 1.005 184 E CA 0.057 56.438 56.400 -0.032 0.000 1.678 184 E CB 0.042 29.720 29.700 -0.038 0.000 2.013 184 E HN 0.209 nan 8.360 nan 0.000 1.011 185 N N 0.613 119.295 118.700 -0.030 0.000 2.416 185 N HA -0.018 4.728 4.740 0.010 0.000 0.177 185 N C 1.513 177.026 175.510 0.004 0.000 1.036 185 N CA 0.996 54.036 53.050 -0.016 0.000 0.901 185 N CB -0.123 38.372 38.487 0.013 0.000 0.976 185 N HN 0.020 nan 8.380 nan 0.000 0.444 186 T N 1.072 115.632 114.554 0.012 0.000 2.951 186 T HA 0.016 4.372 4.350 0.010 0.000 0.268 186 T C 1.776 176.486 174.700 0.015 0.000 1.073 186 T CA 0.888 63.003 62.100 0.026 0.000 1.134 186 T CB 0.184 69.069 68.868 0.028 0.000 0.884 186 T HN 0.263 nan 8.240 nan 0.000 0.479 187 K N 0.739 121.138 120.400 -0.001 0.000 2.031 187 K HA 0.021 4.347 4.320 0.010 0.000 0.205 187 K C 2.348 178.946 176.600 -0.003 0.000 1.049 187 K CA 0.755 57.038 56.287 -0.006 0.000 0.939 187 K CB 0.021 32.509 32.500 -0.020 0.000 0.717 187 K HN 0.040 nan 8.250 nan 0.000 0.438 188 K N 0.836 121.218 120.400 -0.030 0.000 2.209 188 K HA -0.068 4.258 4.320 0.010 0.000 0.204 188 K C 2.012 178.644 176.600 0.053 0.000 1.048 188 K CA 0.827 57.097 56.287 -0.029 0.000 0.940 188 K CB -0.193 32.239 32.500 -0.114 0.000 0.729 188 K HN 0.008 nan 8.250 nan 0.000 0.451 189 V N 1.483 121.434 119.914 0.063 0.000 2.719 189 V HA -0.149 3.977 4.120 0.010 0.000 0.252 189 V C 2.238 178.410 176.094 0.131 0.000 1.065 189 V CA 0.918 63.298 62.300 0.134 0.000 1.086 189 V CB -0.281 31.603 31.823 0.102 0.000 0.700 189 V HN 0.137 nan 8.190 nan 0.000 0.467 190 I N -0.397 120.216 120.570 0.072 0.000 2.193 190 I HA -0.184 3.992 4.170 0.010 0.000 0.240 190 I C 2.431 178.585 176.117 0.062 0.000 1.084 190 I CA 1.669 62.990 61.300 0.036 0.000 1.365 190 I CB -0.877 37.127 38.000 0.006 0.000 1.064 190 I HN 0.321 nan 8.210 nan 0.000 0.410 191 M N 0.059 119.714 119.600 0.091 0.000 2.149 191 M HA -0.294 4.192 4.480 0.010 0.000 0.261 191 M C 2.465 178.901 176.300 0.227 0.000 1.064 191 M CA 2.028 57.403 55.300 0.126 0.000 1.102 191 M CB -0.692 31.981 32.600 0.122 0.000 1.369 191 M HN 0.229 nan 8.290 nan 0.000 0.408 192 Y N 1.205 121.603 120.300 0.163 0.000 2.133 192 Y HA -0.176 4.381 4.550 0.010 0.000 0.287 192 Y C 1.999 177.970 175.900 0.119 0.000 1.134 192 Y CA 1.398 59.656 58.100 0.263 0.000 1.133 192 Y CB -0.853 37.846 38.460 0.398 0.000 0.987 192 Y HN 0.152 nan 8.280 nan 0.000 0.502 193 L N 0.207 121.354 121.223 -0.126 0.000 2.450 193 L HA -0.161 4.185 4.340 0.010 0.000 0.224 193 L C 2.330 179.115 176.870 -0.142 0.000 1.149 193 L CA 1.537 56.209 54.840 -0.280 0.000 0.816 193 L CB -2.035 39.949 42.059 -0.126 0.000 0.932 193 L HN 0.457 nan 8.230 nan 0.000 0.449 194 A N -0.459 122.337 122.820 -0.040 0.000 1.859 194 A HA -0.068 4.258 4.320 0.010 0.000 0.212 194 A C 2.027 179.610 177.584 -0.002 0.000 1.238 194 A CA 0.382 52.414 52.037 -0.008 0.000 0.613 194 A CB -0.229 18.785 19.000 0.023 0.000 0.904 194 A HN 0.110 nan 8.150 nan 0.000 0.457 195 K N 0.123 120.553 120.400 0.049 0.000 2.520 195 K HA -0.094 4.233 4.320 0.010 0.000 0.198 195 K C 1.461 178.071 176.600 0.016 0.000 1.045 195 K CA 1.219 57.542 56.287 0.059 0.000 0.934 195 K CB -0.671 31.907 32.500 0.131 0.000 0.766 195 K HN 0.413 nan 8.250 nan 0.000 0.483 196 V N -0.245 119.634 119.914 -0.059 0.000 3.608 196 V HA 0.299 4.425 4.120 0.010 0.000 0.203 196 V C -0.205 175.840 176.094 -0.082 0.000 1.154 196 V CA 0.365 62.607 62.300 -0.096 0.000 1.386 196 V CB 0.067 31.741 31.823 -0.249 0.000 1.486 196 V HN 0.076 nan 8.190 nan 0.000 0.491 197 A N 1.047 123.785 122.820 -0.138 0.000 2.770 197 A HA 0.368 4.694 4.320 0.010 0.000 0.292 197 A C 0.269 177.851 177.584 -0.004 0.000 1.604 197 A CA -0.017 51.979 52.037 -0.068 0.000 1.271 197 A CB -1.763 17.160 19.000 -0.129 0.000 1.075 197 A HN 0.642 nan 8.150 nan 0.000 0.573 198 C N 0.994 120.296 119.300 0.004 0.000 2.443 198 C HA 0.570 5.036 4.460 0.010 0.000 0.369 198 C C 1.938 176.945 174.990 0.028 0.000 1.241 198 C CA 0.202 59.229 59.018 0.015 0.000 2.413 198 C CB 1.129 28.874 27.740 0.009 0.000 2.451 198 C HN 0.885 nan 8.230 nan 0.000 0.595 199 A N 1.197 124.034 122.820 0.028 0.000 2.044 199 A HA 0.496 4.823 4.320 0.010 0.000 0.213 199 A C 0.597 178.192 177.584 0.018 0.000 1.169 199 A CA 0.869 52.924 52.037 0.030 0.000 0.724 199 A CB 0.066 19.083 19.000 0.028 0.000 0.840 199 A HN 0.714 nan 8.150 nan 0.000 0.463 211 K N 0.791 121.198 120.400 0.012 0.000 1.975 211 K HA 0.271 4.597 4.320 0.010 0.000 0.217 211 K C 1.489 178.102 176.600 0.022 0.000 1.037 211 K CA 1.393 57.690 56.287 0.016 0.000 0.971 211 K CB -0.542 31.965 32.500 0.011 0.000 0.749 211 K HN 0.627 nan 8.250 nan 0.000 0.444 212 E N 1.292 121.501 120.200 0.016 0.000 2.285 212 E HA 0.471 4.827 4.350 0.010 0.000 0.254 212 E C 0.183 176.789 176.600 0.010 0.000 1.011 212 E CA -0.456 55.955 56.400 0.017 0.000 0.873 212 E CB 0.083 29.790 29.700 0.012 0.000 1.229 212 E HN 0.470 nan 8.360 nan 0.000 0.422 213 G N -0.437 108.368 108.800 0.009 0.000 2.634 213 G HA2 0.363 4.329 3.960 0.010 0.000 0.255 213 G HA3 0.363 4.329 3.960 0.010 0.000 0.255 213 G C 0.761 175.659 174.900 -0.003 0.000 1.205 213 G CA 0.515 45.615 45.100 -0.000 0.000 0.884 213 G HN 1.130 nan 8.290 nan 0.000 0.549 214 S N 0.045 115.743 115.700 -0.005 0.000 2.685 214 S HA 0.155 4.631 4.470 0.010 0.000 0.240 214 S C 1.243 175.839 174.600 -0.007 0.000 0.967 214 S CA -0.179 58.019 58.200 -0.004 0.000 1.009 214 S CB -0.294 62.905 63.200 -0.001 0.000 0.776 214 S HN 1.025 nan 8.310 nan 0.000 0.467 215 L N -0.922 120.294 121.223 -0.012 0.000 3.851 215 L HA -0.404 3.942 4.340 0.010 0.000 0.438 215 L C 0.820 177.680 176.870 -0.017 0.000 1.171 215 L CA 1.423 56.252 54.840 -0.019 0.000 0.895 215 L CB -1.518 40.530 42.059 -0.018 0.000 1.800 215 L HN 0.736 nan 8.230 nan 0.000 0.960 216 E N -1.428 118.764 120.200 -0.015 0.000 3.952 216 E HA -0.016 4.341 4.350 0.010 0.000 0.223 216 E C 1.066 177.657 176.600 -0.015 0.000 1.295 216 E CA 0.385 56.778 56.400 -0.012 0.000 1.670 216 E CB -0.557 29.143 29.700 -0.002 0.000 1.588 216 E HN 0.361 nan 8.360 nan 0.000 0.664 217 D N 0.239 120.633 120.400 -0.011 0.000 2.411 217 D HA -0.049 4.597 4.640 0.010 0.000 0.226 217 D C 1.770 178.055 176.300 -0.024 0.000 0.988 217 D CA 1.308 55.300 54.000 -0.015 0.000 0.938 217 D CB 0.268 41.063 40.800 -0.009 0.000 0.883 217 D HN 0.439 nan 8.370 nan 0.000 0.525 218 Q N -0.631 119.155 119.800 -0.024 0.000 2.204 218 Q HA 0.109 4.455 4.340 0.010 0.000 0.198 218 Q C 1.770 177.745 176.000 -0.042 0.000 0.946 218 Q CA 0.782 56.567 55.803 -0.029 0.000 0.859 218 Q CB 0.261 28.982 28.738 -0.028 0.000 0.946 218 Q HN 0.300 nan 8.270 nan 0.000 0.474 219 I N -0.486 120.059 120.570 -0.042 0.000 2.512 219 I HA -0.115 4.061 4.170 0.010 0.000 0.247 219 I C 1.616 177.706 176.117 -0.045 0.000 1.094 219 I CA 0.179 61.449 61.300 -0.051 0.000 1.427 219 I CB -0.098 37.871 38.000 -0.053 0.000 1.149 219 I HN 0.199 nan 8.210 nan 0.000 0.438 220 I N 0.905 121.456 120.570 -0.032 0.000 2.264 220 I HA -0.298 3.878 4.170 0.010 0.000 0.248 220 I C 2.484 178.580 176.117 -0.035 0.000 1.111 220 I CA 1.685 62.971 61.300 -0.022 0.000 1.382 220 I CB -1.137 36.859 38.000 -0.007 0.000 1.060 220 I HN 0.340 nan 8.210 nan 0.000 0.418 221 Q N 1.128 120.900 119.800 -0.046 0.000 2.297 221 Q HA 0.064 4.411 4.340 0.010 0.000 0.204 221 Q C 1.562 177.496 176.000 -0.110 0.000 0.962 221 Q CA 0.977 56.738 55.803 -0.070 0.000 0.879 221 Q CB -0.273 28.423 28.738 -0.070 0.000 0.947 221 Q HN 0.449 nan 8.270 nan 0.000 0.462 222 A N -0.064 122.696 122.820 -0.100 0.000 2.305 222 A HA 0.078 4.404 4.320 0.010 0.000 0.236 222 A C 0.568 178.093 177.584 -0.097 0.000 1.392 222 A CA 0.282 52.242 52.037 -0.127 0.000 1.205 222 A CB -0.577 18.363 19.000 -0.100 0.000 0.881 222 A HN 0.377 nan 8.150 nan 0.000 0.558 223 N N -0.222 118.431 118.700 -0.079 0.000 2.724 223 N HA 0.095 4.841 4.740 0.010 0.000 0.226 223 N C -1.483 174.020 175.510 -0.012 0.000 1.030 223 N CA 0.257 53.295 53.050 -0.020 0.000 1.038 223 N CB -0.360 38.127 38.487 -0.001 0.000 1.475 223 N HN 0.103 nan 8.380 nan 0.000 0.472 224 P HA -0.113 nan 4.420 nan 0.000 0.222 224 P C 0.826 178.121 177.300 -0.009 0.000 1.142 224 P CA 0.751 63.854 63.100 0.006 0.000 0.788 224 P CB 0.241 31.937 31.700 -0.007 0.000 0.767 225 V N -0.741 119.088 119.914 -0.143 0.000 2.251 225 V HA -0.204 3.922 4.120 0.010 0.000 0.233 225 V C 2.164 178.225 176.094 -0.054 0.000 1.041 225 V CA 1.642 63.807 62.300 -0.224 0.000 1.000 225 V CB -1.412 30.118 31.823 -0.489 0.000 0.643 225 V HN -0.053 nan 8.190 nan 0.000 0.460 226 L N 0.124 121.277 121.223 -0.117 0.000 2.351 226 L HA -0.163 4.183 4.340 0.010 0.000 0.220 226 L C 2.257 179.185 176.870 0.095 0.000 1.127 226 L CA 1.624 56.413 54.840 -0.086 0.000 0.786 226 L CB -1.069 40.943 42.059 -0.078 0.000 0.914 226 L HN 0.413 nan 8.230 nan 0.000 0.443 227 E N -0.124 120.174 120.200 0.164 0.000 2.086 227 E HA 0.047 4.403 4.350 0.010 0.000 0.190 227 E C 1.833 178.515 176.600 0.135 0.000 0.975 227 E CA 0.889 57.399 56.400 0.183 0.000 0.813 227 E CB -0.025 29.755 29.700 0.133 0.000 0.768 227 E HN 0.458 nan 8.360 nan 0.000 0.457 228 A N -0.413 122.546 122.820 0.233 0.000 2.346 228 A HA 0.040 4.366 4.320 0.010 0.000 0.242 228 A C 0.474 178.278 177.584 0.367 0.000 1.323 228 A CA 0.355 52.579 52.037 0.311 0.000 0.940 228 A CB -0.365 18.831 19.000 0.326 0.000 0.943 228 A HN 0.292 nan 8.150 nan 0.000 0.501 229 Y N -3.604 116.808 120.300 0.187 0.000 2.476 229 Y HA 0.209 4.765 4.550 0.010 0.000 0.281 229 Y C 2.150 178.076 175.900 0.043 0.000 1.126 229 Y CA 0.350 58.589 58.100 0.232 0.000 1.084 229 Y CB 0.463 39.052 38.460 0.215 0.000 1.339 229 Y HN 0.334 nan 8.280 nan 0.000 0.556 230 G N -0.565 108.330 108.800 0.159 0.000 2.748 230 G HA2 0.063 4.029 3.960 0.010 0.000 0.204 230 G HA3 0.063 4.029 3.960 0.010 0.000 0.204 230 G C -0.196 174.998 174.900 0.490 0.000 1.095 230 G CA -0.050 45.035 45.100 -0.027 0.000 0.775 230 G HN 0.035 nan 8.290 nan 0.000 0.531 231 N N 1.025 119.905 118.700 0.300 0.000 2.434 231 N HA 0.638 5.385 4.740 0.010 0.000 0.272 231 N C -0.414 174.942 175.510 -0.255 0.000 1.040 231 N CA 0.132 53.222 53.050 0.067 0.000 0.956 231 N CB 1.857 40.319 38.487 -0.042 0.000 1.108 231 N HN 0.319 nan 8.380 nan 0.000 0.481 232 A N 0.618 123.366 122.820 -0.120 0.000 2.475 232 A HA 0.758 5.084 4.320 0.010 0.000 0.301 232 A C -0.414 177.201 177.584 0.053 0.000 1.059 232 A CA -0.934 51.086 52.037 -0.027 0.000 0.710 232 A CB 0.665 19.491 19.000 -0.290 0.000 1.288 232 A HN 0.603 nan 8.150 nan 0.000 0.408 233 K N 0.600 121.073 120.400 0.122 0.000 2.336 233 K HA 0.539 4.865 4.320 0.010 0.000 0.290 233 K C 0.033 176.599 176.600 -0.057 0.000 1.067 233 K CA 0.563 56.860 56.287 0.017 0.000 0.962 233 K CB 0.136 32.599 32.500 -0.063 0.000 1.008 233 K HN 1.015 nan 8.250 nan 0.000 0.467 234 T N 1.126 115.655 114.554 -0.042 0.000 2.855 234 T HA 0.285 4.641 4.350 0.010 0.000 0.281 234 T C 1.606 176.280 174.700 -0.043 0.000 1.007 234 T CA 0.487 62.554 62.100 -0.054 0.000 1.009 234 T CB 1.318 70.163 68.868 -0.038 0.000 0.983 234 T HN 0.781 nan 8.240 nan 0.000 0.455 235 T N 3.295 117.819 114.554 -0.050 0.000 2.780 235 T HA -0.339 4.017 4.350 0.010 0.000 0.255 235 T C 1.948 176.623 174.700 -0.042 0.000 1.065 235 T CA 2.843 64.915 62.100 -0.046 0.000 1.155 235 T CB -0.378 68.467 68.868 -0.038 0.000 0.837 235 T HN 0.674 nan 8.240 nan 0.000 0.479 236 R N 2.717 123.198 120.500 -0.032 0.000 2.147 236 R HA -0.067 4.279 4.340 0.010 0.000 0.225 236 R C 1.683 177.970 176.300 -0.021 0.000 1.120 236 R CA 2.466 58.550 56.100 -0.026 0.000 0.891 236 R CB -0.612 29.678 30.300 -0.017 0.000 0.822 236 R HN 0.784 nan 8.270 nan 0.000 0.433 237 N N -2.040 116.657 118.700 -0.005 0.000 3.121 237 N HA 0.124 4.870 4.740 0.010 0.000 0.324 237 N C -0.156 175.345 175.510 -0.015 0.000 1.372 237 N CA 0.093 53.143 53.050 0.000 0.000 0.671 237 N CB -0.121 38.397 38.487 0.052 0.000 1.310 237 N HN 0.238 nan 8.380 nan 0.000 0.494 238 N N -2.590 116.117 118.700 0.011 0.000 2.075 238 N HA 0.141 4.887 4.740 0.010 0.000 0.226 238 N C -0.754 174.813 175.510 0.095 0.000 1.343 238 N CA -0.230 52.829 53.050 0.015 0.000 0.881 238 N CB 0.798 39.277 38.487 -0.013 0.000 1.100 238 N HN 0.645 nan 8.380 nan 0.000 0.495 239 N N 0.562 119.317 118.700 0.091 0.000 2.588 239 N HA 0.115 4.862 4.740 0.010 0.000 0.298 239 N C -0.996 174.544 175.510 0.050 0.000 1.718 239 N CA -0.003 53.108 53.050 0.102 0.000 0.888 239 N CB 0.394 38.953 38.487 0.119 0.000 1.389 239 N HN -0.047 nan 8.380 nan 0.000 0.491 240 S N 0.693 116.418 115.700 0.042 0.000 2.549 240 S HA 0.038 4.514 4.470 0.010 0.000 0.286 240 S C 0.373 175.010 174.600 0.062 0.000 1.314 240 S CA -0.309 57.914 58.200 0.039 0.000 1.062 240 S CB 0.440 63.656 63.200 0.026 0.000 0.865 240 S HN 0.397 nan 8.310 nan 0.000 0.498 241 S N 5.580 121.320 115.700 0.067 0.000 2.439 241 S HA 0.430 4.906 4.470 0.010 0.000 0.282 241 S C 0.111 174.803 174.600 0.154 0.000 1.170 241 S CA -0.898 57.368 58.200 0.111 0.000 1.054 241 S CB 0.783 63.947 63.200 -0.060 0.000 0.956 241 S HN 0.664 nan 8.310 nan 0.000 0.490 242 R N 2.411 123.118 120.500 0.346 0.000 2.893 242 R HA 0.344 4.690 4.340 0.010 0.000 0.317 242 R C -0.814 175.733 176.300 0.412 0.000 1.239 242 R CA -0.323 55.964 56.100 0.313 0.000 1.128 242 R CB -1.262 29.235 30.300 0.329 0.000 1.377 242 R HN 0.811 nan 8.270 nan 0.000 0.583 243 F N -4.280 115.719 119.950 0.083 0.000 2.690 243 F HA 0.579 5.113 4.527 0.011 0.000 0.311 243 F C -0.202 175.690 175.800 0.153 0.000 1.111 243 F CA -1.786 56.262 58.000 0.080 0.000 1.003 243 F CB 0.328 39.350 39.000 0.036 0.000 1.283 243 F HN -0.045 nan 8.300 nan 0.000 0.442 244 G N 1.757 110.642 108.800 0.141 0.000 2.539 244 G HA2 0.506 4.473 3.960 0.010 0.000 0.258 244 G HA3 0.506 4.473 3.960 0.010 0.000 0.258 244 G C -1.512 173.419 174.900 0.051 0.000 1.202 244 G CA -0.700 44.495 45.100 0.157 0.000 0.851 244 G HN 0.968 nan 8.290 nan 0.000 0.556 245 K N -0.461 119.984 120.400 0.075 0.000 2.523 245 K HA 0.507 4.833 4.320 0.010 0.000 0.257 245 K C -2.172 174.565 176.600 0.228 0.000 0.932 245 K CA -0.831 55.491 56.287 0.058 0.000 0.812 245 K CB 1.844 34.301 32.500 -0.070 0.000 1.326 245 K HN 0.329 nan 8.250 nan 0.000 0.433 246 F N 6.061 126.000 119.950 -0.017 0.000 2.872 246 F HA 0.412 4.945 4.527 0.011 0.000 0.363 246 F C -1.375 174.405 175.800 -0.033 0.000 1.357 246 F CA -0.684 57.323 58.000 0.011 0.000 1.174 246 F CB 0.317 39.358 39.000 0.068 0.000 1.860 246 F HN 0.367 nan 8.300 nan 0.000 0.615 247 I N 4.263 124.700 120.570 -0.221 0.000 2.556 247 I HA 0.213 4.389 4.170 0.010 0.000 0.284 247 I C 0.300 176.107 176.117 -0.517 0.000 1.114 247 I CA 0.192 61.304 61.300 -0.312 0.000 1.418 247 I CB 0.606 38.512 38.000 -0.156 0.000 1.394 247 I HN 0.371 nan 8.210 nan 0.000 0.552 248 R N 6.183 126.378 120.500 -0.509 0.000 2.599 248 R HA 0.628 4.975 4.340 0.010 0.000 0.295 248 R C -1.341 174.750 176.300 -0.348 0.000 0.963 248 R CA -0.983 54.813 56.100 -0.508 0.000 0.883 248 R CB 2.085 31.969 30.300 -0.694 0.000 1.171 248 R HN 0.386 nan 8.270 nan 0.000 0.450 249 I N 2.831 123.189 120.570 -0.354 0.000 2.389 249 I HA 0.243 4.419 4.170 0.010 0.000 0.288 249 I C -0.191 175.586 176.117 -0.568 0.000 0.999 249 I CA -0.590 60.476 61.300 -0.390 0.000 1.129 249 I CB 1.235 38.972 38.000 -0.437 0.000 1.288 249 I HN 0.442 nan 8.210 nan 0.000 0.444 250 H N 5.344 124.197 119.070 -0.362 0.000 2.488 250 H HA 0.588 5.150 4.556 0.011 0.000 0.347 250 H C -1.106 174.001 175.328 -0.368 0.000 1.174 250 H CA -0.049 55.847 56.048 -0.252 0.000 1.307 250 H CB 0.918 30.630 29.762 -0.085 0.000 1.517 250 H HN 0.382 nan 8.280 nan 0.000 0.554 251 F N 0.239 120.295 119.950 0.177 0.000 2.529 251 F HA 0.419 4.952 4.527 0.010 0.000 0.320 251 F C 0.950 176.813 175.800 0.106 0.000 1.118 251 F CA -0.921 57.151 58.000 0.120 0.000 0.915 251 F CB 1.770 40.840 39.000 0.117 0.000 1.161 251 F HN 0.642 nan 8.300 nan 0.000 0.445 252 G N 2.684 111.664 108.800 0.300 0.000 2.562 252 G HA2 0.307 4.273 3.960 0.010 0.000 0.275 252 G HA3 0.307 4.273 3.960 0.010 0.000 0.275 252 G C -2.093 172.883 174.900 0.128 0.000 1.196 252 G CA -1.384 43.817 45.100 0.169 0.000 0.908 252 G HN 0.382 nan 8.290 nan 0.000 0.524 253 P HA -0.151 nan 4.420 nan 0.000 0.217 253 P C 1.992 179.310 177.300 0.029 0.000 1.151 253 P CA 2.156 65.285 63.100 0.047 0.000 0.849 253 P CB 0.001 31.721 31.700 0.034 0.000 0.787 254 T N -4.280 110.296 114.554 0.037 0.000 3.400 254 T HA 0.186 4.542 4.350 0.010 0.000 0.254 254 T C 1.362 176.070 174.700 0.013 0.000 1.153 254 T CA 0.337 62.449 62.100 0.021 0.000 1.012 254 T CB -1.663 67.221 68.868 0.028 0.000 0.994 254 T HN 0.292 nan 8.240 nan 0.000 0.555 255 G N 1.454 110.258 108.800 0.008 0.000 2.321 255 G HA2 -0.252 3.715 3.960 0.010 0.000 0.287 255 G HA3 -0.252 3.715 3.960 0.010 0.000 0.287 255 G C -0.076 174.807 174.900 -0.029 0.000 1.018 255 G CA 0.121 45.186 45.100 -0.058 0.000 0.855 255 G HN 0.605 nan 8.290 nan 0.000 0.507 256 K N -0.288 120.180 120.400 0.114 0.000 2.203 256 K HA 0.488 4.815 4.320 0.010 0.000 0.251 256 K C 0.864 177.731 176.600 0.446 0.000 0.944 256 K CA -1.176 55.227 56.287 0.193 0.000 0.829 256 K CB 1.781 34.350 32.500 0.114 0.000 1.125 256 K HN 0.201 nan 8.250 nan 0.000 0.430 257 I N 2.130 122.992 120.570 0.487 0.000 2.742 257 I HA -0.171 4.005 4.170 0.010 0.000 0.287 257 I C 1.117 177.314 176.117 0.133 0.000 1.186 257 I CA 0.507 61.974 61.300 0.278 0.000 1.417 257 I CB 0.493 38.551 38.000 0.097 0.000 1.377 257 I HN 0.729 nan 8.210 nan 0.000 0.556 258 A N 5.206 128.081 122.820 0.092 0.000 2.287 258 A HA 0.554 4.881 4.320 0.010 0.000 0.214 258 A C 0.771 178.354 177.584 -0.001 0.000 1.228 258 A CA 0.472 52.543 52.037 0.055 0.000 0.939 258 A CB 0.524 19.573 19.000 0.080 0.000 0.992 258 A HN 0.766 nan 8.150 nan 0.000 0.502 259 G N -1.412 107.389 108.800 0.003 0.000 2.718 259 G HA2 0.674 4.641 3.960 0.010 0.000 0.295 259 G HA3 0.674 4.641 3.960 0.010 0.000 0.295 259 G C -1.037 173.887 174.900 0.040 0.000 1.421 259 G CA 0.205 45.287 45.100 -0.030 0.000 0.902 259 G HN 0.968 nan 8.290 nan 0.000 0.501 260 A N 0.895 123.705 122.820 -0.017 0.000 2.479 260 A HA 0.966 5.292 4.320 0.010 0.000 0.296 260 A C -1.615 175.928 177.584 -0.068 0.000 1.121 260 A CA -0.481 51.528 52.037 -0.046 0.000 0.743 260 A CB 2.086 21.033 19.000 -0.088 0.000 1.323 260 A HN 1.306 nan 8.150 nan 0.000 0.415 261 D N 0.722 121.056 120.400 -0.111 0.000 2.414 261 D HA 0.238 4.885 4.640 0.010 0.000 0.187 261 D C -1.185 175.006 176.300 -0.181 0.000 1.255 261 D CA -0.179 53.740 54.000 -0.136 0.000 0.825 261 D CB -0.327 40.404 40.800 -0.114 0.000 1.912 261 D HN 0.434 nan 8.370 nan 0.000 0.530 262 I N 0.369 120.846 120.570 -0.155 0.000 2.834 262 I HA 0.476 4.652 4.170 0.010 0.000 0.305 262 I C 0.151 176.193 176.117 -0.125 0.000 1.008 262 I CA -0.503 60.713 61.300 -0.140 0.000 1.273 262 I CB 1.107 39.046 38.000 -0.101 0.000 1.432 262 I HN 0.341 nan 8.210 nan 0.000 0.557 263 E N 2.648 122.791 120.200 -0.095 0.000 2.432 263 E HA 0.256 4.612 4.350 0.010 0.000 0.272 263 E C -1.074 175.362 176.600 -0.274 0.000 0.937 263 E CA -0.525 55.791 56.400 -0.140 0.000 0.812 263 E CB 0.982 30.675 29.700 -0.013 0.000 1.377 263 E HN 0.653 nan 8.360 nan 0.000 0.399 264 T N 0.815 115.239 114.554 -0.217 0.000 2.927 264 T HA 0.616 4.972 4.350 0.010 0.000 0.281 264 T C -0.048 174.454 174.700 -0.330 0.000 0.998 264 T CA -0.308 61.744 62.100 -0.080 0.000 1.019 264 T CB 0.928 70.012 68.868 0.360 0.000 1.061 264 T HN 0.292 nan 8.240 nan 0.000 0.518 265 Y N -0.845 119.595 120.300 0.232 0.000 3.338 265 Y HA 0.496 5.053 4.550 0.011 0.000 0.293 265 Y C 0.102 176.031 175.900 0.049 0.000 1.809 265 Y CA -1.659 56.515 58.100 0.124 0.000 0.882 265 Y CB -0.215 38.304 38.460 0.098 0.000 1.367 265 Y HN 0.325 nan 8.280 nan 0.000 0.672 266 L N 3.016 124.307 121.223 0.114 0.000 2.628 266 L HA 0.015 4.361 4.340 0.010 0.000 0.274 266 L C -0.127 176.766 176.870 0.039 0.000 1.209 266 L CA 0.719 55.531 54.840 -0.048 0.000 0.930 266 L CB -1.669 40.264 42.059 -0.210 0.000 1.183 266 L HN 0.394 nan 8.230 nan 0.000 0.492 267 L N 3.279 124.505 121.223 0.005 0.000 2.322 267 L HA 0.324 4.671 4.340 0.010 0.000 0.279 267 L C 0.829 177.702 176.870 0.004 0.000 1.036 267 L CA -0.515 54.315 54.840 -0.017 0.000 0.807 267 L CB 1.467 43.397 42.059 -0.215 0.000 1.226 267 L HN 0.611 nan 8.230 nan 0.000 0.433 268 E N 3.882 124.136 120.200 0.091 0.000 1.795 268 E HA -0.017 4.339 4.350 0.010 0.000 0.261 268 E C 0.239 176.914 176.600 0.125 0.000 1.238 268 E CA 0.059 56.516 56.400 0.094 0.000 1.001 268 E CB 0.534 30.300 29.700 0.110 0.000 1.065 268 E HN 0.548 nan 8.360 nan 0.000 0.418 269 K N 0.317 120.745 120.400 0.047 0.000 2.217 269 K HA -0.087 4.240 4.320 0.010 0.000 0.202 269 K C 2.065 178.687 176.600 0.037 0.000 1.051 269 K CA 1.038 57.350 56.287 0.043 0.000 0.952 269 K CB 0.142 32.659 32.500 0.029 0.000 0.736 269 K HN 0.246 nan 8.250 nan 0.000 0.453 270 S N 0.845 116.563 115.700 0.030 0.000 2.515 270 S HA -0.080 4.396 4.470 0.010 0.000 0.231 270 S C 1.866 176.485 174.600 0.031 0.000 0.987 270 S CA 0.586 58.804 58.200 0.030 0.000 0.936 270 S CB 0.015 63.242 63.200 0.046 0.000 0.766 270 S HN 0.122 nan 8.310 nan 0.000 0.528 271 R N 1.768 122.279 120.500 0.017 0.000 2.148 271 R HA 0.134 4.480 4.340 0.010 0.000 0.223 271 R C 1.779 178.031 176.300 -0.081 0.000 1.088 271 R CA 1.374 57.440 56.100 -0.057 0.000 0.985 271 R CB -1.464 28.746 30.300 -0.150 0.000 0.880 271 R HN 0.315 nan 8.270 nan 0.000 0.451 272 V N 0.258 120.147 119.914 -0.041 0.000 2.439 272 V HA -0.263 3.863 4.120 0.010 0.000 0.253 272 V C 1.691 177.564 176.094 -0.370 0.000 1.074 272 V CA 2.358 64.550 62.300 -0.181 0.000 1.076 272 V CB -0.912 30.787 31.823 -0.207 0.000 0.664 272 V HN 0.729 nan 8.190 nan 0.000 0.461 273 T N -5.344 109.039 114.554 -0.285 0.000 3.111 273 T HA 0.259 4.615 4.350 0.010 0.000 0.284 273 T C -0.341 174.383 174.700 0.040 0.000 0.983 273 T CA -0.198 61.711 62.100 -0.317 0.000 0.900 273 T CB 0.159 68.730 68.868 -0.495 0.000 1.132 273 T HN 0.300 nan 8.240 nan 0.000 0.531 274 Y N 1.786 122.022 120.300 -0.107 0.000 2.441 274 Y HA 0.606 5.162 4.550 0.010 0.000 0.334 274 Y C -1.900 173.971 175.900 -0.049 0.000 1.061 274 Y CA -1.566 56.505 58.100 -0.047 0.000 1.032 274 Y CB 2.029 40.472 38.460 -0.029 0.000 1.266 274 Y HN 0.063 nan 8.280 nan 0.000 0.441 275 Q N 5.585 125.101 119.800 -0.473 0.000 3.090 275 Q HA 0.200 4.547 4.340 0.010 0.000 0.241 275 Q C 0.714 176.333 176.000 -0.636 0.000 0.958 275 Q CA -0.652 54.839 55.803 -0.520 0.000 0.715 275 Q CB 1.477 30.099 28.738 -0.193 0.000 1.298 275 Q HN 0.755 nan 8.270 nan 0.000 0.468 276 Q N -0.172 118.964 119.800 -1.105 0.000 2.167 276 Q HA -0.282 4.065 4.340 0.010 0.000 0.218 276 Q C 0.301 176.216 176.000 -0.142 0.000 1.033 276 Q CA 1.968 57.484 55.803 -0.478 0.000 0.918 276 Q CB -0.379 28.223 28.738 -0.226 0.000 1.019 276 Q HN 0.406 nan 8.270 nan 0.000 0.417 277 S N -2.605 113.010 115.700 -0.142 0.000 2.683 277 S HA 0.424 4.900 4.470 0.010 0.000 0.278 277 S C -1.172 173.385 174.600 -0.072 0.000 1.059 277 S CA 0.606 58.767 58.200 -0.066 0.000 0.847 277 S CB 0.819 64.005 63.200 -0.025 0.000 1.078 277 S HN 1.151 nan 8.310 nan 0.000 0.456 278 A N 1.242 124.030 122.820 -0.054 0.000 2.771 278 A HA -0.176 4.151 4.320 0.010 0.000 0.294 278 A C 0.083 177.618 177.584 -0.083 0.000 1.500 278 A CA 2.255 54.256 52.037 -0.060 0.000 0.829 278 A CB -2.186 16.782 19.000 -0.053 0.000 0.998 278 A HN 0.713 nan 8.150 nan 0.000 0.526 279 E N -1.692 118.451 120.200 -0.095 0.000 2.359 279 E HA 0.710 5.067 4.350 0.010 0.000 0.266 279 E C -0.142 176.393 176.600 -0.110 0.000 0.920 279 E CA -1.046 55.284 56.400 -0.117 0.000 0.788 279 E CB 1.490 31.102 29.700 -0.147 0.000 1.279 279 E HN 0.440 nan 8.360 nan 0.000 0.438 280 R N 1.045 121.462 120.500 -0.139 0.000 2.621 280 R HA 0.310 4.656 4.340 0.010 0.000 0.292 280 R C -0.403 175.899 176.300 0.003 0.000 0.969 280 R CA -0.611 55.414 56.100 -0.125 0.000 0.887 280 R CB 1.778 31.734 30.300 -0.573 0.000 1.180 280 R HN 0.507 nan 8.270 nan 0.000 0.450 281 N N 0.565 119.401 118.700 0.227 0.000 2.297 281 N HA -0.035 4.712 4.740 0.010 0.000 0.232 281 N C -0.637 174.964 175.510 0.151 0.000 1.311 281 N CA -0.174 52.909 53.050 0.056 0.000 0.897 281 N CB 0.416 38.919 38.487 0.027 0.000 1.137 281 N HN 0.346 nan 8.380 nan 0.000 0.449 282 Y N 2.128 122.533 120.300 0.176 0.000 2.887 282 Y HA -0.190 4.366 4.550 0.010 0.000 0.350 282 Y C 1.566 177.625 175.900 0.264 0.000 1.294 282 Y CA 0.184 58.380 58.100 0.161 0.000 1.622 282 Y CB -0.258 38.186 38.460 -0.026 0.000 1.201 282 Y HN 0.635 nan 8.280 nan 0.000 0.546 283 H N 2.951 122.135 119.070 0.190 0.000 2.121 283 H HA -0.380 4.182 4.556 0.010 0.000 0.237 283 H C 2.435 177.797 175.328 0.056 0.000 1.154 283 H CA 2.792 58.917 56.048 0.128 0.000 1.387 283 H CB -1.104 28.724 29.762 0.109 0.000 1.669 283 H HN 0.738 nan 8.280 nan 0.000 0.672 284 I N 0.070 120.654 120.570 0.022 0.000 2.130 284 I HA -0.388 3.788 4.170 0.010 0.000 0.241 284 I C 2.623 178.525 176.117 -0.358 0.000 1.023 284 I CA 2.893 64.012 61.300 -0.301 0.000 1.293 284 I CB -1.742 35.856 38.000 -0.669 0.000 1.001 284 I HN 0.249 nan 8.210 nan 0.000 0.407 285 F N -0.390 119.466 119.950 -0.157 0.000 2.085 285 F HA -0.253 4.280 4.527 0.010 0.000 0.299 285 F C 2.356 177.971 175.800 -0.309 0.000 1.096 285 F CA 2.571 60.417 58.000 -0.256 0.000 1.227 285 F CB -1.368 37.486 39.000 -0.243 0.000 0.983 285 F HN 0.433 nan 8.300 nan 0.000 0.482 286 Y N 0.148 120.432 120.300 -0.026 0.000 2.571 286 Y HA -0.151 4.406 4.550 0.011 0.000 0.294 286 Y C 2.283 178.085 175.900 -0.163 0.000 1.141 286 Y CA 1.133 59.180 58.100 -0.088 0.000 1.308 286 Y CB -0.512 37.893 38.460 -0.092 0.000 1.002 286 Y HN 0.298 nan 8.280 nan 0.000 0.551 287 Q N -1.165 118.553 119.800 -0.136 0.000 2.402 287 Q HA 0.075 4.421 4.340 0.010 0.000 0.231 287 Q C 1.791 177.432 176.000 -0.597 0.000 0.888 287 Q CA 0.499 56.139 55.803 -0.272 0.000 0.938 287 Q CB -0.420 28.181 28.738 -0.228 0.000 1.086 287 Q HN 0.436 nan 8.270 nan 0.000 0.543 288 I N 1.632 121.750 120.570 -0.752 0.000 2.335 288 I HA -0.215 3.962 4.170 0.010 0.000 0.251 288 I C 0.925 176.808 176.117 -0.389 0.000 1.129 288 I CA 0.770 61.596 61.300 -0.791 0.000 1.402 288 I CB -0.107 37.550 38.000 -0.571 0.000 1.069 288 I HN 0.368 nan 8.210 nan 0.000 0.424 289 C N 0.033 119.162 119.300 -0.285 0.000 2.352 289 C HA 0.303 4.769 4.460 0.010 0.000 0.321 289 C C 1.930 176.877 174.990 -0.073 0.000 1.407 289 C CA -0.379 58.545 59.018 -0.156 0.000 1.783 289 C CB -1.876 25.750 27.740 -0.190 0.000 2.698 289 C HN 0.493 nan 8.230 nan 0.000 0.555 290 S N -0.349 115.314 115.700 -0.062 0.000 2.523 290 S HA 0.114 4.590 4.470 0.010 0.000 0.217 290 S C 0.685 175.315 174.600 0.050 0.000 0.996 290 S CA 0.509 58.713 58.200 0.007 0.000 0.921 290 S CB -0.513 62.699 63.200 0.020 0.000 0.829 290 S HN 0.553 nan 8.310 nan 0.000 0.495 291 N N 0.722 119.458 118.700 0.060 0.000 2.776 291 N HA -0.190 4.556 4.740 0.010 0.000 0.249 291 N C 0.636 176.222 175.510 0.127 0.000 1.111 291 N CA 0.848 53.952 53.050 0.091 0.000 0.711 291 N CB -1.544 36.984 38.487 0.069 0.000 1.065 291 N HN 0.594 nan 8.380 nan 0.000 0.556 292 A N -0.415 122.526 122.820 0.202 0.000 1.968 292 A HA 0.148 4.474 4.320 0.010 0.000 0.217 292 A C 0.995 178.676 177.584 0.162 0.000 1.169 292 A CA 1.102 53.269 52.037 0.216 0.000 0.638 292 A CB 0.159 19.389 19.000 0.382 0.000 0.812 292 A HN 0.320 nan 8.150 nan 0.000 0.446 293 I N -0.290 120.408 120.570 0.213 0.000 2.934 293 I HA 0.213 4.390 4.170 0.010 0.000 0.312 293 I C -2.170 174.030 176.117 0.139 0.000 1.342 293 I CA -2.382 59.006 61.300 0.147 0.000 0.946 293 I CB -0.153 37.948 38.000 0.168 0.000 2.034 293 I HN -0.025 nan 8.210 nan 0.000 0.604 294 P HA -0.244 nan 4.420 nan 0.000 0.222 294 P C 1.136 178.489 177.300 0.089 0.000 1.157 294 P CA 2.255 65.409 63.100 0.090 0.000 0.905 294 P CB 0.215 31.956 31.700 0.069 0.000 0.792 295 E N -1.355 118.895 120.200 0.082 0.000 2.651 295 E HA 0.127 4.483 4.350 0.010 0.000 0.236 295 E C 1.120 177.777 176.600 0.096 0.000 1.422 295 E CA 0.328 56.775 56.400 0.077 0.000 1.534 295 E CB -1.472 28.264 29.700 0.060 0.000 1.381 295 E HN 0.198 nan 8.360 nan 0.000 0.435 296 L N -2.089 119.205 121.223 0.119 0.000 3.712 296 L HA 0.212 4.558 4.340 0.010 0.000 0.357 296 L C 1.556 178.515 176.870 0.149 0.000 1.071 296 L CA 0.468 55.397 54.840 0.149 0.000 1.346 296 L CB 0.298 42.481 42.059 0.206 0.000 1.923 296 L HN 0.239 nan 8.230 nan 0.000 0.621 297 N N 0.873 119.652 118.700 0.131 0.000 2.037 297 N HA -0.209 4.537 4.740 0.010 0.000 0.196 297 N C 0.185 175.774 175.510 0.131 0.000 1.034 297 N CA 2.155 55.277 53.050 0.121 0.000 0.861 297 N CB -0.166 38.383 38.487 0.104 0.000 1.039 297 N HN 0.346 nan 8.380 nan 0.000 0.427 298 D N -0.890 119.581 120.400 0.119 0.000 2.490 298 D HA 0.043 4.689 4.640 0.010 0.000 0.255 298 D C 0.212 176.599 176.300 0.145 0.000 1.248 298 D CA 0.218 54.291 54.000 0.121 0.000 0.887 298 D CB 0.187 41.042 40.800 0.093 0.000 0.978 298 D HN 0.096 nan 8.370 nan 0.000 0.491 299 V N -1.106 118.902 119.914 0.158 0.000 3.392 299 V HA 0.183 4.309 4.120 0.010 0.000 0.285 299 V C 1.284 177.479 176.094 0.168 0.000 1.582 299 V CA 0.867 63.264 62.300 0.161 0.000 1.034 299 V CB 0.578 32.482 31.823 0.135 0.000 0.846 299 V HN 0.408 nan 8.190 nan 0.000 0.431 300 M N -1.380 118.328 119.600 0.180 0.000 2.289 300 M HA 0.560 5.046 4.480 0.010 0.000 0.335 300 M C 0.830 177.283 176.300 0.255 0.000 0.961 300 M CA 0.368 55.779 55.300 0.186 0.000 1.018 300 M CB 0.119 32.798 32.600 0.132 0.000 1.678 300 M HN 0.115 nan 8.290 nan 0.000 0.589 301 L N -0.042 121.326 121.223 0.242 0.000 4.179 301 L HA -0.125 4.221 4.340 0.010 0.000 0.418 301 L C 0.590 177.664 176.870 0.341 0.000 1.168 301 L CA 0.946 55.938 54.840 0.253 0.000 0.972 301 L CB -2.936 39.264 42.059 0.235 0.000 2.005 301 L HN 1.065 nan 8.230 nan 0.000 0.935 302 V N -3.535 116.530 119.914 0.252 0.000 2.465 302 V HA 0.788 4.915 4.120 0.010 0.000 0.279 302 V C 0.751 176.952 176.094 0.178 0.000 1.045 302 V CA -0.044 62.384 62.300 0.213 0.000 0.938 302 V CB 1.702 33.552 31.823 0.046 0.000 0.986 302 V HN 0.181 nan 8.190 nan 0.000 0.467 303 T N 7.243 121.936 114.554 0.232 0.000 2.812 303 T HA 0.508 4.864 4.350 0.010 0.000 0.282 303 T C -2.733 172.084 174.700 0.194 0.000 0.990 303 T CA -0.978 61.224 62.100 0.169 0.000 0.960 303 T CB 1.791 70.746 68.868 0.145 0.000 0.948 303 T HN 0.817 nan 8.240 nan 0.000 0.438 304 P HA 0.219 nan 4.420 nan 0.000 0.269 304 P C -0.295 177.062 177.300 0.094 0.000 1.263 304 P CA 0.423 63.570 63.100 0.079 0.000 0.813 304 P CB 0.881 32.609 31.700 0.047 0.000 0.868 305 D N 1.893 122.368 120.400 0.125 0.000 2.315 305 D HA -0.073 4.574 4.640 0.010 0.000 0.272 305 D C 0.219 176.563 176.300 0.074 0.000 1.238 305 D CA 0.441 54.498 54.000 0.095 0.000 1.160 305 D CB 0.041 40.897 40.800 0.093 0.000 1.780 305 D HN 0.176 nan 8.370 nan 0.000 0.484 306 S N -0.359 115.418 115.700 0.128 0.000 3.641 306 S HA -0.106 4.370 4.470 0.010 0.000 0.346 306 S C 0.794 175.383 174.600 -0.018 0.000 1.074 306 S CA 0.967 59.155 58.200 -0.019 0.000 1.026 306 S CB -1.601 61.473 63.200 -0.210 0.000 0.908 306 S HN 0.649 nan 8.310 nan 0.000 0.479 307 G N -1.283 107.553 108.800 0.061 0.000 3.873 307 G HA2 0.427 4.394 3.960 0.010 0.000 0.232 307 G HA3 0.427 4.394 3.960 0.010 0.000 0.232 307 G C 0.333 175.243 174.900 0.016 0.000 1.097 307 G CA 0.309 45.431 45.100 0.037 0.000 0.889 307 G HN 0.455 nan 8.290 nan 0.000 0.532 308 L N -0.139 121.105 121.223 0.034 0.000 2.817 308 L HA 0.537 4.884 4.340 0.010 0.000 0.248 308 L C -0.558 176.144 176.870 -0.279 0.000 1.133 308 L CA -0.117 54.648 54.840 -0.124 0.000 0.935 308 L CB 0.631 42.579 42.059 -0.186 0.000 1.266 308 L HN 0.082 nan 8.230 nan 0.000 0.535 309 Y N -0.419 119.817 120.300 -0.106 0.000 2.417 309 Y HA 0.203 4.759 4.550 0.010 0.000 0.336 309 Y C 1.714 177.541 175.900 -0.123 0.000 0.961 309 Y CA -0.519 57.503 58.100 -0.130 0.000 1.215 309 Y CB 1.050 39.411 38.460 -0.166 0.000 1.120 309 Y HN 0.092 nan 8.280 nan 0.000 0.499 310 S N 1.984 117.655 115.700 -0.048 0.000 2.409 310 S HA -0.335 4.141 4.470 0.010 0.000 0.237 310 S C 1.687 176.336 174.600 0.082 0.000 1.060 310 S CA 1.607 59.782 58.200 -0.041 0.000 1.052 310 S CB -0.902 62.211 63.200 -0.145 0.000 0.871 310 S HN 0.739 nan 8.310 nan 0.000 0.465 311 F N 1.503 121.411 119.950 -0.070 0.000 2.365 311 F HA 0.146 4.680 4.527 0.011 0.000 0.300 311 F C 2.038 177.690 175.800 -0.245 0.000 1.090 311 F CA 0.860 58.765 58.000 -0.158 0.000 1.408 311 F CB -0.033 38.828 39.000 -0.232 0.000 1.060 311 F HN 0.386 nan 8.300 nan 0.000 0.534 312 I N -2.997 117.531 120.570 -0.071 0.000 4.338 312 I HA 0.124 4.300 4.170 0.010 0.000 0.329 312 I C 0.561 176.615 176.117 -0.104 0.000 1.378 312 I CA -0.092 61.092 61.300 -0.193 0.000 1.170 312 I CB -0.318 37.400 38.000 -0.469 0.000 1.206 312 I HN 0.001 nan 8.210 nan 0.000 0.432 313 N N 0.548 119.232 118.700 -0.027 0.000 2.327 313 N HA 0.142 4.888 4.740 0.010 0.000 0.231 313 N C 0.855 176.403 175.510 0.063 0.000 1.130 313 N CA -0.349 52.717 53.050 0.027 0.000 0.845 313 N CB 0.398 38.894 38.487 0.016 0.000 1.073 313 N HN 0.510 nan 8.380 nan 0.000 0.496 314 Q N 0.893 120.738 119.800 0.075 0.000 1.937 314 Q HA 0.081 4.427 4.340 0.010 0.000 0.198 314 Q C 1.421 177.456 176.000 0.059 0.000 0.977 314 Q CA 1.133 56.983 55.803 0.079 0.000 0.836 314 Q CB -0.189 28.613 28.738 0.108 0.000 0.899 314 Q HN 0.466 nan 8.270 nan 0.000 0.437 315 G N 0.020 108.842 108.800 0.037 0.000 2.447 315 G HA2 -0.023 3.944 3.960 0.010 0.000 0.269 315 G HA3 -0.023 3.944 3.960 0.010 0.000 0.269 315 G C -0.273 174.645 174.900 0.029 0.000 1.455 315 G CA -0.664 44.438 45.100 0.004 0.000 1.061 315 G HN 0.445 nan 8.290 nan 0.000 0.545 316 C N -1.171 118.122 119.300 -0.011 0.000 2.703 316 C HA 0.291 4.757 4.460 0.010 0.000 0.411 316 C C 1.293 176.288 174.990 0.009 0.000 1.290 316 C CA -0.098 58.910 59.018 -0.017 0.000 2.054 316 C CB -0.543 27.159 27.740 -0.063 0.000 2.732 316 C HN 0.456 nan 8.230 nan 0.000 0.650 317 L N 3.326 124.579 121.223 0.050 0.000 2.910 317 L HA 0.328 4.675 4.340 0.010 0.000 0.252 317 L C 0.750 177.641 176.870 0.035 0.000 1.195 317 L CA 0.522 55.495 54.840 0.222 0.000 1.003 317 L CB -0.223 42.018 42.059 0.304 0.000 1.328 317 L HN 0.782 nan 8.230 nan 0.000 0.540 318 T N -0.939 113.532 114.554 -0.138 0.000 4.009 318 T HA 0.548 4.904 4.350 0.010 0.000 0.323 318 T C -0.559 174.046 174.700 -0.159 0.000 0.760 318 T CA -0.279 61.732 62.100 -0.149 0.000 0.987 318 T CB -0.042 68.800 68.868 -0.043 0.000 1.070 318 T HN -0.024 nan 8.240 nan 0.000 0.471 319 V N 3.544 123.326 119.914 -0.220 0.000 2.811 319 V HA 0.391 4.518 4.120 0.010 0.000 0.302 319 V C 1.341 177.367 176.094 -0.113 0.000 1.063 319 V CA 0.116 62.319 62.300 -0.162 0.000 1.088 319 V CB 0.513 32.228 31.823 -0.180 0.000 0.982 319 V HN 0.905 nan 8.190 nan 0.000 0.485 320 D N 2.578 122.926 120.400 -0.087 0.000 2.351 320 D HA -0.107 4.539 4.640 0.010 0.000 0.216 320 D C 0.668 176.938 176.300 -0.050 0.000 0.968 320 D CA 1.957 55.919 54.000 -0.064 0.000 0.899 320 D CB 0.205 40.968 40.800 -0.061 0.000 0.907 320 D HN 0.877 nan 8.370 nan 0.000 0.514 321 N N -0.090 118.580 118.700 -0.051 0.000 2.116 321 N HA 0.053 4.800 4.740 0.010 0.000 0.230 321 N C -0.155 175.340 175.510 -0.025 0.000 1.326 321 N CA -0.211 52.820 53.050 -0.031 0.000 0.867 321 N CB 1.649 40.118 38.487 -0.031 0.000 1.174 321 N HN 0.009 nan 8.380 nan 0.000 0.506 322 I N 2.248 122.789 120.570 -0.048 0.000 2.328 322 I HA 0.129 4.305 4.170 0.010 0.000 0.287 322 I C 0.114 176.202 176.117 -0.048 0.000 1.012 322 I CA -0.547 60.723 61.300 -0.050 0.000 1.195 322 I CB 1.244 39.179 38.000 -0.109 0.000 1.350 322 I HN -0.020 nan 8.210 nan 0.000 0.464 323 D N 6.751 127.143 120.400 -0.013 0.000 2.453 323 D HA 0.020 4.666 4.640 0.010 0.000 0.223 323 D C 0.681 176.992 176.300 0.019 0.000 1.183 323 D CA -0.245 53.757 54.000 0.004 0.000 0.933 323 D CB 0.910 41.721 40.800 0.019 0.000 1.038 323 D HN 0.383 nan 8.370 nan 0.000 0.513 324 D N 2.785 123.187 120.400 0.005 0.000 2.149 324 D HA -0.184 4.462 4.640 0.010 0.000 0.194 324 D C 2.105 178.460 176.300 0.091 0.000 1.001 324 D CA 0.875 54.889 54.000 0.024 0.000 0.849 324 D CB 0.098 40.903 40.800 0.009 0.000 0.939 324 D HN 0.312 nan 8.370 nan 0.000 0.449 325 V N 1.434 121.400 119.914 0.087 0.000 2.227 325 V HA -0.320 3.806 4.120 0.010 0.000 0.249 325 V C 2.552 178.726 176.094 0.133 0.000 1.046 325 V CA 2.384 64.757 62.300 0.121 0.000 1.015 325 V CB -0.714 31.157 31.823 0.080 0.000 0.648 325 V HN 0.252 nan 8.190 nan 0.000 0.460 326 E N -0.646 119.605 120.200 0.085 0.000 2.160 326 E HA -0.262 4.094 4.350 0.010 0.000 0.195 326 E C 2.177 178.829 176.600 0.087 0.000 0.991 326 E CA 1.241 57.682 56.400 0.069 0.000 0.810 326 E CB -0.076 29.652 29.700 0.048 0.000 0.742 326 E HN 0.574 nan 8.360 nan 0.000 0.466 327 E N -0.312 119.952 120.200 0.107 0.000 2.204 327 E HA -0.162 4.194 4.350 0.010 0.000 0.195 327 E C 1.613 178.339 176.600 0.210 0.000 0.990 327 E CA 0.651 57.128 56.400 0.129 0.000 0.821 327 E CB -0.154 29.611 29.700 0.108 0.000 0.750 327 E HN 0.328 nan 8.360 nan 0.000 0.477 328 F N 1.609 121.573 119.950 0.024 0.000 2.243 328 F HA 0.059 4.592 4.527 0.010 0.000 0.287 328 F C 1.987 177.817 175.800 0.050 0.000 1.067 328 F CA 0.835 58.846 58.000 0.019 0.000 1.304 328 F CB -0.192 38.796 39.000 -0.020 0.000 1.087 328 F HN -0.200 nan 8.300 nan 0.000 0.513 329 K N 0.610 120.991 120.400 -0.033 0.000 2.034 329 K HA -0.262 4.064 4.320 0.010 0.000 0.214 329 K C 2.330 178.879 176.600 -0.085 0.000 1.051 329 K CA 2.449 58.657 56.287 -0.131 0.000 0.931 329 K CB -1.208 31.274 32.500 -0.030 0.000 0.715 329 K HN 0.358 nan 8.250 nan 0.000 0.446 330 L N 0.692 121.909 121.223 -0.010 0.000 2.046 330 L HA -0.159 4.188 4.340 0.010 0.000 0.208 330 L C 2.599 179.460 176.870 -0.015 0.000 1.077 330 L CA 2.345 57.182 54.840 -0.005 0.000 0.747 330 L CB -1.921 40.149 42.059 0.019 0.000 0.896 330 L HN 0.586 nan 8.230 nan 0.000 0.432 331 C N -0.393 118.929 119.300 0.036 0.000 2.419 331 C HA -0.151 4.315 4.460 0.010 0.000 0.281 331 C C 2.659 177.703 174.990 0.090 0.000 1.336 331 C CA 1.344 60.399 59.018 0.062 0.000 1.770 331 C CB -0.959 26.948 27.740 0.278 0.000 1.929 331 C HN 0.834 nan 8.230 nan 0.000 0.509 332 D N 0.476 120.892 120.400 0.026 0.000 2.075 332 D HA -0.163 4.483 4.640 0.010 0.000 0.196 332 D C 2.050 178.401 176.300 0.085 0.000 0.985 332 D CA 1.912 55.965 54.000 0.089 0.000 0.834 332 D CB -0.548 40.147 40.800 -0.175 0.000 0.987 332 D HN 0.540 nan 8.370 nan 0.000 0.452 333 E N -0.052 120.145 120.200 -0.005 0.000 2.114 333 E HA -0.198 4.158 4.350 0.010 0.000 0.199 333 E C 1.981 178.559 176.600 -0.036 0.000 1.008 333 E CA 1.604 57.998 56.400 -0.011 0.000 0.810 333 E CB -0.508 29.179 29.700 -0.022 0.000 0.739 333 E HN 0.364 nan 8.360 nan 0.000 0.456 334 A N 0.028 122.784 122.820 -0.106 0.000 1.869 334 A HA -0.257 4.069 4.320 0.010 0.000 0.218 334 A C 2.035 179.458 177.584 -0.270 0.000 1.203 334 A CA 1.996 53.898 52.037 -0.224 0.000 0.638 334 A CB -1.200 17.578 19.000 -0.370 0.000 0.831 334 A HN 0.350 nan 8.150 nan 0.000 0.450 335 F N 0.799 120.623 119.950 -0.210 0.000 2.091 335 F HA -0.221 4.312 4.527 0.011 0.000 0.299 335 F C 2.294 178.045 175.800 -0.083 0.000 1.103 335 F CA 1.668 59.416 58.000 -0.420 0.000 1.228 335 F CB -0.685 37.944 39.000 -0.619 0.000 0.984 335 F HN 0.270 nan 8.300 nan 0.000 0.477 336 D N 0.823 121.311 120.400 0.146 0.000 2.182 336 D HA -0.224 4.422 4.640 0.010 0.000 0.193 336 D C 2.351 178.719 176.300 0.114 0.000 0.999 336 D CA 2.263 56.341 54.000 0.129 0.000 0.850 336 D CB -0.881 39.960 40.800 0.068 0.000 0.994 336 D HN 0.310 nan 8.370 nan 0.000 0.450 337 I N 0.047 120.650 120.570 0.055 0.000 2.315 337 I HA -0.213 3.963 4.170 0.010 0.000 0.251 337 I C 2.693 178.841 176.117 0.051 0.000 1.125 337 I CA 0.904 62.226 61.300 0.036 0.000 1.392 337 I CB -0.594 37.408 38.000 0.005 0.000 1.065 337 I HN -0.064 nan 8.210 nan 0.000 0.424 338 L N 1.414 122.678 121.223 0.068 0.000 2.353 338 L HA -0.039 4.307 4.340 0.010 0.000 0.220 338 L C 1.345 178.331 176.870 0.193 0.000 1.133 338 L CA 1.287 56.190 54.840 0.105 0.000 0.798 338 L CB -0.263 41.841 42.059 0.074 0.000 0.922 338 L HN 0.681 nan 8.230 nan 0.000 0.445 339 G N -1.959 106.974 108.800 0.221 0.000 2.237 339 G HA2 -0.217 3.749 3.960 0.010 0.000 0.153 339 G HA3 -0.217 3.749 3.960 0.010 0.000 0.153 339 G C -0.209 174.736 174.900 0.075 0.000 1.039 339 G CA -0.514 44.650 45.100 0.107 0.000 0.719 339 G HN 0.075 nan 8.290 nan 0.000 0.491 340 F N 0.550 120.511 119.950 0.019 0.000 2.535 340 F HA 0.876 5.409 4.527 0.010 0.000 0.367 340 F C 1.093 176.888 175.800 -0.008 0.000 1.096 340 F CA 0.091 58.102 58.000 0.018 0.000 1.088 340 F CB 1.633 40.673 39.000 0.068 0.000 1.387 340 F HN 0.270 nan 8.300 nan 0.000 0.494 341 T N -2.958 111.688 114.554 0.153 0.000 2.887 341 T HA 0.298 4.654 4.350 0.010 0.000 0.292 341 T C 0.710 175.426 174.700 0.027 0.000 1.087 341 T CA -0.909 61.225 62.100 0.057 0.000 1.009 341 T CB 1.959 70.829 68.868 0.003 0.000 1.203 341 T HN 0.603 nan 8.240 nan 0.000 0.518 342 K N 0.664 121.062 120.400 -0.002 0.000 2.034 342 K HA -0.239 4.088 4.320 0.010 0.000 0.214 342 K C 1.915 178.477 176.600 -0.062 0.000 1.051 342 K CA 2.393 58.661 56.287 -0.032 0.000 0.931 342 K CB -0.296 32.192 32.500 -0.020 0.000 0.715 342 K HN 0.767 nan 8.250 nan 0.000 0.446 343 E N 1.212 121.383 120.200 -0.048 0.000 1.997 343 E HA -0.249 4.108 4.350 0.010 0.000 0.201 343 E C 1.907 178.455 176.600 -0.086 0.000 1.011 343 E CA 1.576 57.936 56.400 -0.065 0.000 0.847 343 E CB -0.944 28.725 29.700 -0.050 0.000 0.787 343 E HN 0.465 nan 8.360 nan 0.000 0.472 344 E N 1.228 121.408 120.200 -0.032 0.000 2.132 344 E HA -0.289 4.067 4.350 0.010 0.000 0.218 344 E C 2.215 178.791 176.600 -0.040 0.000 1.058 344 E CA 2.121 58.547 56.400 0.043 0.000 0.882 344 E CB -0.286 29.489 29.700 0.125 0.000 0.774 344 E HN 0.286 nan 8.360 nan 0.000 0.467 345 K N 0.701 121.040 120.400 -0.101 0.000 2.001 345 K HA -0.269 4.058 4.320 0.010 0.000 0.214 345 K C 2.305 178.396 176.600 -0.848 0.000 1.050 345 K CA 1.886 57.814 56.287 -0.599 0.000 0.934 345 K CB -0.054 32.192 32.500 -0.424 0.000 0.718 345 K HN 0.137 nan 8.250 nan 0.000 0.443 346 Q N -0.036 119.479 119.800 -0.474 0.000 1.967 346 Q HA -0.165 4.181 4.340 0.010 0.000 0.202 346 Q C 2.253 178.089 176.000 -0.272 0.000 0.985 346 Q CA 1.803 57.392 55.803 -0.357 0.000 0.839 346 Q CB -0.280 28.366 28.738 -0.153 0.000 0.906 346 Q HN 0.368 nan 8.270 nan 0.000 0.423 347 S N 0.378 115.956 115.700 -0.204 0.000 2.393 347 S HA -0.326 4.151 4.470 0.010 0.000 0.234 347 S C 1.867 176.369 174.600 -0.163 0.000 1.064 347 S CA 1.985 60.083 58.200 -0.170 0.000 1.088 347 S CB -0.256 62.831 63.200 -0.189 0.000 0.939 347 S HN 0.317 nan 8.310 nan 0.000 0.448 348 M N 0.893 120.354 119.600 -0.233 0.000 2.180 348 M HA -0.075 4.412 4.480 0.010 0.000 0.260 348 M C 1.624 177.985 176.300 0.102 0.000 1.071 348 M CA 2.043 57.261 55.300 -0.136 0.000 1.096 348 M CB -1.099 31.315 32.600 -0.311 0.000 1.276 348 M HN 0.409 nan 8.290 nan 0.000 0.426 349 F N 0.624 120.542 119.950 -0.053 0.000 2.147 349 F HA -0.243 4.290 4.527 0.010 0.000 0.301 349 F C 2.210 178.008 175.800 -0.003 0.000 1.084 349 F CA 1.395 59.399 58.000 0.005 0.000 1.268 349 F CB -1.670 37.365 39.000 0.058 0.000 1.009 349 F HN 0.281 nan 8.300 nan 0.000 0.486 350 K N -0.234 120.268 120.400 0.171 0.000 1.978 350 K HA -0.196 4.130 4.320 0.010 0.000 0.214 350 K C 2.070 178.723 176.600 0.087 0.000 1.049 350 K CA 2.007 58.349 56.287 0.092 0.000 0.939 350 K CB -0.732 31.769 32.500 0.003 0.000 0.721 350 K HN 0.236 nan 8.250 nan 0.000 0.441 351 C N 0.890 120.223 119.300 0.056 0.000 2.422 351 C HA -0.060 4.407 4.460 0.010 0.000 0.286 351 C C 2.568 177.635 174.990 0.128 0.000 1.412 351 C CA 0.799 59.861 59.018 0.074 0.000 1.786 351 C CB -1.128 26.624 27.740 0.020 0.000 1.835 351 C HN 0.537 nan 8.230 nan 0.000 0.533 352 T N 1.103 115.730 114.554 0.122 0.000 2.770 352 T HA -0.000 4.356 4.350 0.010 0.000 0.258 352 T C 2.266 177.034 174.700 0.112 0.000 1.039 352 T CA 1.411 63.554 62.100 0.073 0.000 1.143 352 T CB -0.387 68.478 68.868 -0.004 0.000 0.866 352 T HN 0.586 nan 8.240 nan 0.000 0.428 353 A N 1.387 124.258 122.820 0.084 0.000 1.972 353 A HA -0.063 4.263 4.320 0.010 0.000 0.219 353 A C 2.491 180.161 177.584 0.143 0.000 1.169 353 A CA 1.951 54.028 52.037 0.067 0.000 0.635 353 A CB -1.062 17.962 19.000 0.039 0.000 0.810 353 A HN 0.432 nan 8.150 nan 0.000 0.446 354 S N 0.304 116.119 115.700 0.191 0.000 2.389 354 S HA -0.256 4.221 4.470 0.010 0.000 0.229 354 S C 1.913 176.673 174.600 0.267 0.000 1.048 354 S CA 1.923 60.260 58.200 0.228 0.000 1.117 354 S CB -0.659 62.656 63.200 0.191 0.000 1.020 354 S HN 0.518 nan 8.310 nan 0.000 0.430 355 I N 0.982 121.737 120.570 0.309 0.000 2.143 355 I HA -0.248 3.928 4.170 0.010 0.000 0.245 355 I C 2.484 178.794 176.117 0.323 0.000 1.068 355 I CA 1.473 62.979 61.300 0.344 0.000 1.326 355 I CB -0.638 37.616 38.000 0.424 0.000 1.028 355 I HN 0.348 nan 8.210 nan 0.000 0.412 356 L N 0.441 121.799 121.223 0.224 0.000 1.997 356 L HA -0.307 4.039 4.340 0.010 0.000 0.216 356 L C 2.683 179.643 176.870 0.151 0.000 1.074 356 L CA 2.114 56.970 54.840 0.026 0.000 0.763 356 L CB -0.888 40.985 42.059 -0.310 0.000 0.890 356 L HN 0.292 nan 8.230 nan 0.000 0.434 357 H N -1.998 117.227 119.070 0.259 0.000 2.403 357 H HA -0.032 4.530 4.556 0.011 0.000 0.298 357 H C 2.190 177.584 175.328 0.111 0.000 1.059 357 H CA 1.371 57.541 56.048 0.205 0.000 1.363 357 H CB -0.237 29.636 29.762 0.183 0.000 1.410 357 H HN 0.358 nan 8.280 nan 0.000 0.528 358 M N 0.504 120.278 119.600 0.289 0.000 2.331 358 M HA -0.109 4.377 4.480 0.010 0.000 0.260 358 M C 1.169 177.557 176.300 0.145 0.000 1.072 358 M CA 1.554 57.003 55.300 0.247 0.000 1.065 358 M CB 0.055 32.844 32.600 0.315 0.000 1.392 358 M HN 0.181 nan 8.290 nan 0.000 0.427 359 G N -0.266 108.483 108.800 -0.085 0.000 4.125 359 G HA2 0.163 4.130 3.960 0.010 0.000 0.301 359 G HA3 0.163 4.130 3.960 0.010 0.000 0.301 359 G C -0.132 174.463 174.900 -0.508 0.000 1.273 359 G CA -0.229 44.336 45.100 -0.891 0.000 1.095 359 G HN 0.367 nan 8.290 nan 0.000 0.582 360 E N 0.335 120.427 120.200 -0.179 0.000 3.313 360 E HA 0.116 4.472 4.350 0.010 0.000 0.164 360 E C 0.197 176.744 176.600 -0.088 0.000 0.947 360 E CA -0.155 56.174 56.400 -0.120 0.000 1.390 360 E CB 0.482 30.161 29.700 -0.035 0.000 1.058 360 E HN 0.423 nan 8.360 nan 0.000 0.436 361 M N 1.289 120.846 119.600 -0.072 0.000 3.371 361 M HA 0.231 4.717 4.480 0.010 0.000 0.212 361 M C 0.021 176.142 176.300 -0.299 0.000 1.200 361 M CA -0.136 55.074 55.300 -0.150 0.000 1.211 361 M CB 0.289 32.864 32.600 -0.041 0.000 1.210 361 M HN -0.299 nan 8.290 nan 0.000 0.601 362 K N 0.724 120.997 120.400 -0.213 0.000 2.606 362 K HA 0.035 4.361 4.320 0.010 0.000 0.279 362 K C -0.853 175.523 176.600 -0.374 0.000 0.961 362 K CA 0.984 57.180 56.287 -0.152 0.000 1.002 362 K CB 0.387 32.815 32.500 -0.120 0.000 0.871 362 K HN 0.187 nan 8.250 nan 0.000 0.508 363 F N -0.407 119.525 119.950 -0.031 0.000 2.613 363 F HA 0.466 5.000 4.527 0.010 0.000 0.314 363 F C 0.302 176.091 175.800 -0.020 0.000 1.075 363 F CA -0.810 57.177 58.000 -0.021 0.000 0.945 363 F CB 1.678 40.669 39.000 -0.015 0.000 1.310 363 F HN 0.341 nan 8.300 nan 0.000 0.467 364 K N -0.013 120.498 120.400 0.185 0.000 2.323 364 K HA 0.698 5.024 4.320 0.010 0.000 0.259 364 K C -0.422 176.229 176.600 0.084 0.000 0.947 364 K CA -0.602 55.741 56.287 0.094 0.000 0.819 364 K CB 0.721 33.248 32.500 0.045 0.000 1.109 364 K HN 0.889 nan 8.250 nan 0.000 0.429 365 Q N 1.391 121.223 119.800 0.054 0.000 2.442 365 Q HA 0.400 4.746 4.340 0.010 0.000 0.244 365 Q C 1.391 177.409 176.000 0.029 0.000 1.302 365 Q CA 0.852 56.675 55.803 0.034 0.000 0.889 365 Q CB -1.186 27.564 28.738 0.020 0.000 1.578 365 Q HN 1.197 nan 8.270 nan 0.000 0.526 366 R N 2.524 123.046 120.500 0.036 0.000 2.147 366 R HA 0.391 4.738 4.340 0.010 0.000 0.209 366 R C 0.369 176.680 176.300 0.017 0.000 1.129 366 R CA 1.319 57.436 56.100 0.029 0.000 0.914 366 R CB -1.992 28.330 30.300 0.037 0.000 0.771 366 R HN 0.998 nan 8.270 nan 0.000 0.474 367 P HA 0.312 nan 4.420 nan 0.000 0.264 367 P C 0.731 178.036 177.300 0.008 0.000 1.173 367 P CA 1.487 64.593 63.100 0.010 0.000 0.761 367 P CB -0.158 31.547 31.700 0.008 0.000 0.794 368 R N 0.890 121.393 120.500 0.006 0.000 2.339 368 R HA 0.378 4.724 4.340 0.010 0.000 0.199 368 R C 1.339 177.641 176.300 0.003 0.000 1.018 368 R CA 2.037 58.139 56.100 0.004 0.000 1.036 368 R CB -1.402 28.899 30.300 0.003 0.000 0.899 368 R HN 0.952 nan 8.270 nan 0.000 0.473 369 E N -0.538 119.665 120.200 0.004 0.000 4.138 369 E HA 0.620 4.976 4.350 0.010 0.000 0.369 369 E C 0.413 177.015 176.600 0.004 0.000 0.995 369 E CA 0.215 56.617 56.400 0.003 0.000 2.264 369 E CB -0.113 29.589 29.700 0.003 0.000 1.876 369 E HN 0.849 nan 8.360 nan 0.000 0.697 370 E N -1.006 119.195 120.200 0.003 0.000 2.873 370 E HA 0.570 4.926 4.350 0.010 0.000 0.232 370 E C -0.080 176.522 176.600 0.003 0.000 1.123 370 E CA 0.283 56.684 56.400 0.002 0.000 0.809 370 E CB 0.162 29.862 29.700 -0.001 0.000 1.366 370 E HN 1.052 nan 8.360 nan 0.000 0.400 371 Q N -0.513 119.291 119.800 0.007 0.000 3.093 371 Q HA 0.915 5.262 4.340 0.010 0.000 0.330 371 Q C 0.320 176.330 176.000 0.017 0.000 0.947 371 Q CA -0.288 55.520 55.803 0.009 0.000 0.801 371 Q CB 0.681 29.425 28.738 0.010 0.000 1.470 371 Q HN 1.796 nan 8.270 nan 0.000 0.498 372 A N 0.346 123.179 122.820 0.022 0.000 2.489 372 A HA 0.565 4.892 4.320 0.010 0.000 0.289 372 A C 0.229 177.859 177.584 0.077 0.000 1.216 372 A CA 0.923 52.984 52.037 0.040 0.000 0.883 372 A CB -1.470 17.549 19.000 0.033 0.000 1.110 372 A HN 1.608 nan 8.150 nan 0.000 0.523 373 E N 1.840 122.118 120.200 0.131 0.000 2.278 373 E HA 0.571 4.927 4.350 0.010 0.000 0.272 373 E C -0.162 176.561 176.600 0.204 0.000 0.890 373 E CA -0.138 56.347 56.400 0.143 0.000 0.770 373 E CB 0.934 30.683 29.700 0.082 0.000 1.212 373 E HN 1.622 nan 8.360 nan 0.000 0.415 374 S N 0.880 116.634 115.700 0.089 0.000 2.549 374 S HA -0.000 4.476 4.470 0.010 0.000 0.286 374 S C 0.421 174.932 174.600 -0.147 0.000 1.314 374 S CA 0.604 58.755 58.200 -0.081 0.000 1.062 374 S CB 0.958 64.116 63.200 -0.069 0.000 0.865 374 S HN 0.731 nan 8.310 nan 0.000 0.498 375 D N 3.299 123.513 120.400 -0.309 0.000 2.414 375 D HA 0.190 4.836 4.640 0.010 0.000 0.237 375 D C 0.828 177.033 176.300 -0.159 0.000 0.975 375 D CA 0.882 54.771 54.000 -0.184 0.000 0.917 375 D CB 0.303 40.998 40.800 -0.174 0.000 1.061 375 D HN 0.711 nan 8.370 nan 0.000 0.480 376 G N -1.405 107.273 108.800 -0.203 0.000 3.176 376 G HA2 0.391 4.358 3.960 0.010 0.000 0.272 376 G HA3 0.391 4.358 3.960 0.010 0.000 0.272 376 G C -0.004 174.801 174.900 -0.158 0.000 1.349 376 G CA 0.501 45.513 45.100 -0.147 0.000 0.953 376 G HN 0.131 nan 8.290 nan 0.000 0.559 377 T N -2.441 112.040 114.554 -0.122 0.000 3.100 377 T HA 0.302 4.658 4.350 0.010 0.000 0.255 377 T C 2.269 176.912 174.700 -0.095 0.000 0.893 377 T CA 1.730 63.765 62.100 -0.108 0.000 0.882 377 T CB -0.489 68.331 68.868 -0.080 0.000 1.266 377 T HN 0.896 nan 8.240 nan 0.000 0.528 378 A N 1.660 124.424 122.820 -0.093 0.000 1.915 378 A HA -0.182 4.144 4.320 0.010 0.000 0.220 378 A C 1.837 179.357 177.584 -0.106 0.000 1.198 378 A CA 2.637 54.620 52.037 -0.091 0.000 0.647 378 A CB -0.710 18.238 19.000 -0.087 0.000 0.825 378 A HN 0.664 nan 8.150 nan 0.000 0.456 379 E N -0.273 119.858 120.200 -0.116 0.000 1.998 379 E HA 0.112 4.468 4.350 0.010 0.000 0.195 379 E C 2.372 178.913 176.600 -0.099 0.000 0.994 379 E CA 1.180 57.503 56.400 -0.129 0.000 0.835 379 E CB -0.808 28.828 29.700 -0.106 0.000 0.786 379 E HN 0.509 nan 8.360 nan 0.000 0.467 380 A N 1.225 124.000 122.820 -0.076 0.000 1.944 380 A HA -0.419 3.907 4.320 0.010 0.000 0.222 380 A C 2.065 179.642 177.584 -0.011 0.000 1.237 380 A CA 2.533 54.551 52.037 -0.031 0.000 0.668 380 A CB -1.057 17.909 19.000 -0.057 0.000 0.830 380 A HN 0.360 nan 8.150 nan 0.000 0.471 381 E N -0.581 119.599 120.200 -0.034 0.000 2.130 381 E HA -0.239 4.117 4.350 0.010 0.000 0.196 381 E C 2.075 178.684 176.600 0.015 0.000 0.998 381 E CA 1.597 57.988 56.400 -0.014 0.000 0.806 381 E CB -0.182 29.494 29.700 -0.039 0.000 0.738 381 E HN 0.686 nan 8.360 nan 0.000 0.459 382 K N 0.294 120.681 120.400 -0.023 0.000 2.097 382 K HA -0.111 4.215 4.320 0.010 0.000 0.206 382 K C 2.144 178.806 176.600 0.103 0.000 1.049 382 K CA 1.101 57.388 56.287 -0.000 0.000 0.933 382 K CB -0.022 32.368 32.500 -0.184 0.000 0.717 382 K HN 0.009 nan 8.250 nan 0.000 0.442 383 V N 1.373 121.338 119.914 0.084 0.000 2.427 383 V HA -0.219 3.907 4.120 0.010 0.000 0.248 383 V C 2.290 178.458 176.094 0.124 0.000 1.051 383 V CA 1.927 64.309 62.300 0.137 0.000 1.048 383 V CB -0.626 31.279 31.823 0.137 0.000 0.666 383 V HN 0.335 nan 8.190 nan 0.000 0.456 384 A N -0.772 122.114 122.820 0.110 0.000 2.067 384 A HA -0.180 4.147 4.320 0.010 0.000 0.219 384 A C 2.032 179.701 177.584 0.143 0.000 1.158 384 A CA 1.625 53.723 52.037 0.101 0.000 0.661 384 A CB -0.540 18.509 19.000 0.081 0.000 0.801 384 A HN 0.537 nan 8.150 nan 0.000 0.452 385 F N 0.413 120.375 119.950 0.020 0.000 2.179 385 F HA 0.082 4.615 4.527 0.010 0.000 0.292 385 F C 2.483 178.304 175.800 0.035 0.000 1.089 385 F CA 1.103 59.115 58.000 0.021 0.000 1.295 385 F CB -0.549 38.459 39.000 0.014 0.000 1.041 385 F HN 0.230 nan 8.300 nan 0.000 0.487 386 L N 0.177 121.363 121.223 -0.062 0.000 1.932 386 L HA -0.244 4.102 4.340 0.010 0.000 0.217 386 L C 2.754 179.548 176.870 -0.126 0.000 1.077 386 L CA 2.577 57.340 54.840 -0.129 0.000 0.765 386 L CB -2.120 39.980 42.059 0.067 0.000 0.888 386 L HN 0.595 nan 8.230 nan 0.000 0.433 387 C N -0.728 118.562 119.300 -0.017 0.000 2.403 387 C HA 0.261 4.728 4.460 0.010 0.000 0.282 387 C C 2.322 177.287 174.990 -0.041 0.000 1.297 387 C CA 1.443 60.458 59.018 -0.005 0.000 1.785 387 C CB -1.214 26.552 27.740 0.044 0.000 1.963 387 C HN 1.794 nan 8.230 nan 0.000 0.507 388 G N 0.354 109.116 108.800 -0.062 0.000 2.261 388 G HA2 -0.139 3.827 3.960 0.010 0.000 0.228 388 G HA3 -0.139 3.827 3.960 0.010 0.000 0.228 388 G C 0.100 175.000 174.900 0.002 0.000 2.090 388 G CA -0.043 45.023 45.100 -0.056 0.000 1.588 388 G HN 1.041 nan 8.290 nan 0.000 0.520 389 I N 1.946 122.518 120.570 0.002 0.000 3.259 389 I HA 0.265 4.441 4.170 0.010 0.000 0.312 389 I C 0.344 176.481 176.117 0.033 0.000 1.211 389 I CA -0.163 61.144 61.300 0.011 0.000 1.431 389 I CB -0.220 37.776 38.000 -0.006 0.000 1.304 389 I HN 0.620 nan 8.210 nan 0.000 0.572 390 N N 3.192 121.910 118.700 0.030 0.000 2.513 390 N HA 0.373 5.119 4.740 0.010 0.000 0.268 390 N C 0.943 176.472 175.510 0.031 0.000 1.180 390 N CA 0.489 53.561 53.050 0.037 0.000 0.948 390 N CB 1.310 39.813 38.487 0.027 0.000 1.083 390 N HN 0.833 nan 8.380 nan 0.000 0.455 391 A N 3.219 126.060 122.820 0.036 0.000 1.986 391 A HA -0.090 4.236 4.320 0.010 0.000 0.220 391 A C 1.876 179.470 177.584 0.017 0.000 1.171 391 A CA 1.967 54.020 52.037 0.027 0.000 0.640 391 A CB -1.383 17.628 19.000 0.019 0.000 0.811 391 A HN 0.797 nan 8.150 nan 0.000 0.451 392 G N -0.600 108.209 108.800 0.014 0.000 2.666 392 G HA2 -0.144 3.823 3.960 0.010 0.000 0.215 392 G HA3 -0.144 3.823 3.960 0.010 0.000 0.215 392 G C 1.361 176.268 174.900 0.012 0.000 1.294 392 G CA 2.056 47.162 45.100 0.010 0.000 0.811 392 G HN 0.639 nan 8.290 nan 0.000 0.594 393 D N 0.398 120.805 120.400 0.010 0.000 2.200 393 D HA -0.158 4.489 4.640 0.010 0.000 0.192 393 D C 2.319 178.624 176.300 0.009 0.000 1.008 393 D CA 1.914 55.919 54.000 0.007 0.000 0.872 393 D CB -0.339 40.463 40.800 0.003 0.000 0.923 393 D HN 0.314 nan 8.370 nan 0.000 0.447 394 L N 0.448 121.678 121.223 0.013 0.000 1.938 394 L HA 0.154 4.500 4.340 0.010 0.000 0.212 394 L C 3.253 180.145 176.870 0.036 0.000 1.085 394 L CA 3.109 57.960 54.840 0.018 0.000 0.760 394 L CB -0.994 41.079 42.059 0.024 0.000 0.888 394 L HN 0.467 nan 8.230 nan 0.000 0.433 395 L N -0.547 120.702 121.223 0.042 0.000 2.129 395 L HA -0.176 4.170 4.340 0.010 0.000 0.212 395 L C 2.736 179.644 176.870 0.064 0.000 1.087 395 L CA 3.341 58.219 54.840 0.063 0.000 0.757 395 L CB -2.772 39.306 42.059 0.032 0.000 0.896 395 L HN 0.626 nan 8.230 nan 0.000 0.434 396 K N -0.415 120.008 120.400 0.039 0.000 1.965 396 K HA 0.284 4.611 4.320 0.010 0.000 0.214 396 K C 2.584 179.203 176.600 0.031 0.000 1.042 396 K CA 1.879 58.186 56.287 0.032 0.000 0.950 396 K CB -1.541 30.970 32.500 0.019 0.000 0.733 396 K HN 1.398 nan 8.250 nan 0.000 0.441 397 A N 0.085 122.917 122.820 0.020 0.000 2.225 397 A HA 0.162 4.488 4.320 0.010 0.000 0.215 397 A C 2.182 179.775 177.584 0.015 0.000 1.164 397 A CA 1.481 53.525 52.037 0.012 0.000 0.710 397 A CB -0.459 18.542 19.000 0.001 0.000 0.780 397 A HN 0.497 nan 8.150 nan 0.000 0.473 398 L N -1.171 120.072 121.223 0.033 0.000 2.209 398 L HA 0.135 4.481 4.340 0.010 0.000 0.207 398 L C 1.944 178.836 176.870 0.037 0.000 1.094 398 L CA 1.463 56.328 54.840 0.043 0.000 0.790 398 L CB -0.148 41.963 42.059 0.087 0.000 0.932 398 L HN 0.403 nan 8.230 nan 0.000 0.447 399 L N -1.460 119.795 121.223 0.054 0.000 2.470 399 L HA 0.125 4.471 4.340 0.010 0.000 0.219 399 L C 0.514 177.397 176.870 0.020 0.000 1.071 399 L CA 0.229 55.096 54.840 0.045 0.000 0.850 399 L CB 0.013 42.130 42.059 0.096 0.000 1.040 399 L HN 0.022 nan 8.230 nan 0.000 0.475 400 K N 0.796 121.208 120.400 0.020 0.000 2.762 400 K HA 0.327 4.653 4.320 0.010 0.000 0.180 400 K C -2.504 174.100 176.600 0.006 0.000 1.067 400 K CA -1.623 54.671 56.287 0.011 0.000 0.973 400 K CB 1.048 33.557 32.500 0.014 0.000 1.290 400 K HN -0.140 nan 8.250 nan 0.000 0.604 401 P HA -0.051 nan 4.420 nan 0.000 0.266 401 P C -0.529 176.771 177.300 -0.001 0.000 1.195 401 P CA 0.225 63.324 63.100 -0.002 0.000 0.768 401 P CB 0.510 32.206 31.700 -0.006 0.000 0.838 402 K N 1.843 122.242 120.400 -0.002 0.000 2.527 402 K HA 0.529 4.855 4.320 0.010 0.000 0.240 402 K C -0.883 175.717 176.600 -0.000 0.000 0.989 402 K CA -0.500 55.787 56.287 -0.000 0.000 0.985 402 K CB 0.345 32.845 32.500 0.000 0.000 1.221 402 K HN 0.329 nan 8.250 nan 0.000 0.458 403 V N 1.904 121.819 119.914 0.001 0.000 2.558 403 V HA 0.429 4.555 4.120 0.010 0.000 0.261 403 V C 0.655 176.752 176.094 0.005 0.000 0.958 403 V CA -0.829 61.473 62.300 0.003 0.000 0.852 403 V CB 0.266 32.090 31.823 0.003 0.000 1.067 403 V HN 0.961 nan 8.190 nan 0.000 0.468 404 K N 1.433 121.837 120.400 0.006 0.000 2.343 404 K HA 0.779 5.106 4.320 0.010 0.000 0.250 404 K C 0.192 176.798 176.600 0.008 0.000 1.087 404 K CA 0.699 56.990 56.287 0.006 0.000 0.853 404 K CB 0.215 32.718 32.500 0.006 0.000 1.133 404 K HN 1.673 nan 8.250 nan 0.000 0.509 405 V N 0.395 120.314 119.914 0.008 0.000 2.385 405 V HA 0.577 4.704 4.120 0.010 0.000 0.277 405 V C 0.878 176.977 176.094 0.008 0.000 1.012 405 V CA -0.392 61.913 62.300 0.009 0.000 0.832 405 V CB 0.468 32.297 31.823 0.009 0.000 1.028 405 V HN 1.471 nan 8.190 nan 0.000 0.436 411 T N 1.808 116.364 114.554 0.003 0.000 2.907 411 T HA 0.791 5.147 4.350 0.010 0.000 0.284 411 T C 0.187 174.888 174.700 0.002 0.000 1.004 411 T CA 0.400 62.502 62.100 0.002 0.000 1.063 411 T CB 1.205 70.075 68.868 0.003 0.000 0.992 411 T HN 1.553 nan 8.240 nan 0.000 0.483 412 K N 0.387 120.787 120.400 0.001 0.000 2.331 412 K HA 0.912 5.238 4.320 0.010 0.000 0.238 412 K C -0.009 176.590 176.600 -0.001 0.000 1.058 412 K CA -0.650 55.637 56.287 -0.000 0.000 0.871 412 K CB 1.250 33.749 32.500 -0.002 0.000 1.292 412 K HN 0.954 nan 8.250 nan 0.000 0.470 413 G N -0.415 108.383 108.800 -0.003 0.000 2.707 413 G HA2 0.589 4.555 3.960 0.010 0.000 0.299 413 G HA3 0.589 4.555 3.960 0.010 0.000 0.299 413 G C -0.502 174.391 174.900 -0.012 0.000 1.442 413 G CA 0.374 45.471 45.100 -0.004 0.000 1.009 413 G HN 1.060 nan 8.290 nan 0.000 0.515 414 Q N 0.611 120.400 119.800 -0.018 0.000 2.245 414 Q HA 0.655 5.002 4.340 0.010 0.000 0.256 414 Q C 0.397 176.371 176.000 -0.043 0.000 0.942 414 Q CA -0.598 55.182 55.803 -0.037 0.000 0.896 414 Q CB 1.191 29.896 28.738 -0.055 0.000 1.272 414 Q HN 1.009 nan 8.270 nan 0.000 0.442 415 N N 0.338 119.007 118.700 -0.051 0.000 2.514 415 N HA 0.435 5.181 4.740 0.010 0.000 0.299 415 N C 1.007 176.466 175.510 -0.084 0.000 1.292 415 N CA -0.127 52.894 53.050 -0.048 0.000 0.963 415 N CB 0.249 38.716 38.487 -0.033 0.000 1.124 415 N HN 0.593 nan 8.380 nan 0.000 0.580 416 M N 0.095 119.656 119.600 -0.064 0.000 2.082 416 M HA -0.131 4.356 4.480 0.010 0.000 0.258 416 M C 1.100 177.319 176.300 -0.134 0.000 1.071 416 M CA 1.878 57.126 55.300 -0.086 0.000 1.103 416 M CB -1.047 31.534 32.600 -0.033 0.000 1.307 416 M HN 0.556 nan 8.290 nan 0.000 0.409 417 N N 0.201 118.849 118.700 -0.087 0.000 2.058 417 N HA -0.185 4.561 4.740 0.010 0.000 0.191 417 N C 1.785 177.231 175.510 -0.107 0.000 1.037 417 N CA 2.147 55.147 53.050 -0.083 0.000 0.848 417 N CB -0.987 37.470 38.487 -0.049 0.000 1.021 417 N HN 0.700 nan 8.380 nan 0.000 0.422 418 Q N 0.842 120.586 119.800 -0.093 0.000 2.641 418 Q HA 0.023 4.369 4.340 0.010 0.000 0.220 418 Q C 1.816 177.734 176.000 -0.138 0.000 0.977 418 Q CA 1.096 56.846 55.803 -0.089 0.000 0.930 418 Q CB -0.787 27.912 28.738 -0.065 0.000 0.976 418 Q HN 0.311 nan 8.270 nan 0.000 0.563 419 V N -2.762 117.014 119.914 -0.229 0.000 3.141 419 V HA 0.016 4.142 4.120 0.010 0.000 0.225 419 V C 1.992 177.845 176.094 -0.402 0.000 1.352 419 V CA 0.613 62.684 62.300 -0.382 0.000 1.316 419 V CB 0.592 32.012 31.823 -0.672 0.000 1.126 419 V HN 0.366 nan 8.190 nan 0.000 0.493 420 V N 1.065 120.749 119.914 -0.384 0.000 2.626 420 V HA -0.098 4.029 4.120 0.010 0.000 0.252 420 V C 1.800 177.859 176.094 -0.059 0.000 1.067 420 V CA 2.341 64.524 62.300 -0.196 0.000 1.081 420 V CB -0.323 31.434 31.823 -0.109 0.000 0.686 420 V HN 0.586 nan 8.190 nan 0.000 0.468 421 N N -0.987 117.670 118.700 -0.072 0.000 2.280 421 N HA 0.060 4.807 4.740 0.010 0.000 0.192 421 N C 1.707 177.208 175.510 -0.016 0.000 1.109 421 N CA 0.982 54.018 53.050 -0.023 0.000 0.855 421 N CB 0.704 39.172 38.487 -0.031 0.000 0.974 421 N HN 0.476 nan 8.380 nan 0.000 0.482 422 S N -0.594 115.080 115.700 -0.042 0.000 2.404 422 S HA -0.021 4.455 4.470 0.010 0.000 0.223 422 S C 2.007 176.624 174.600 0.029 0.000 1.040 422 S CA 0.957 59.144 58.200 -0.022 0.000 0.957 422 S CB -0.125 63.038 63.200 -0.061 0.000 0.826 422 S HN 0.167 nan 8.310 nan 0.000 0.491 423 V N 0.497 120.447 119.914 0.060 0.000 2.343 423 V HA 0.151 4.277 4.120 0.010 0.000 0.247 423 V C 2.109 178.300 176.094 0.162 0.000 1.051 423 V CA 1.761 64.148 62.300 0.145 0.000 1.036 423 V CB -1.745 30.212 31.823 0.223 0.000 0.654 423 V HN 0.468 nan 8.190 nan 0.000 0.451 424 G N -0.843 108.045 108.800 0.147 0.000 3.302 424 G HA2 0.413 4.380 3.960 0.010 0.000 0.220 424 G HA3 0.413 4.380 3.960 0.010 0.000 0.220 424 G C 0.749 175.672 174.900 0.039 0.000 1.297 424 G CA 0.807 45.961 45.100 0.090 0.000 1.213 424 G HN 1.032 nan 8.290 nan 0.000 0.508 425 A N -0.750 122.104 122.820 0.055 0.000 1.704 425 A HA 0.361 4.687 4.320 0.010 0.000 0.211 425 A C 1.641 179.270 177.584 0.076 0.000 1.792 425 A CA 0.701 52.767 52.037 0.050 0.000 1.264 425 A CB -0.315 18.708 19.000 0.038 0.000 1.235 425 A HN 0.369 nan 8.150 nan 0.000 0.440 426 L N 1.074 122.348 121.223 0.086 0.000 1.921 426 L HA 0.060 4.406 4.340 0.010 0.000 0.219 426 L C 2.558 179.517 176.870 0.149 0.000 1.081 426 L CA 3.019 57.923 54.840 0.106 0.000 0.771 426 L CB -0.991 41.123 42.059 0.091 0.000 0.888 426 L HN 0.444 nan 8.230 nan 0.000 0.433 427 A N -0.629 122.284 122.820 0.154 0.000 1.915 427 A HA -0.352 3.974 4.320 0.010 0.000 0.220 427 A C 2.361 180.028 177.584 0.138 0.000 1.198 427 A CA 2.637 54.774 52.037 0.167 0.000 0.647 427 A CB -0.877 18.219 19.000 0.160 0.000 0.825 427 A HN 0.615 nan 8.150 nan 0.000 0.456 428 K N -0.943 119.495 120.400 0.064 0.000 1.965 428 K HA -0.160 4.166 4.320 0.010 0.000 0.218 428 K C 2.457 179.136 176.600 0.132 0.000 1.048 428 K CA 1.579 57.902 56.287 0.060 0.000 0.960 428 K CB -0.459 32.052 32.500 0.018 0.000 0.732 428 K HN 0.439 nan 8.250 nan 0.000 0.444 429 S N 0.784 116.561 115.700 0.128 0.000 2.428 429 S HA -0.197 4.279 4.470 0.010 0.000 0.240 429 S C 1.795 176.512 174.600 0.194 0.000 1.036 429 S CA 1.315 59.608 58.200 0.154 0.000 1.009 429 S CB -0.263 63.039 63.200 0.171 0.000 0.803 429 S HN 0.278 nan 8.310 nan 0.000 0.486 430 L N 0.359 121.726 121.223 0.240 0.000 1.973 430 L HA 0.067 4.414 4.340 0.010 0.000 0.208 430 L C 1.943 178.916 176.870 0.171 0.000 1.073 430 L CA 2.183 57.171 54.840 0.246 0.000 0.746 430 L CB -1.400 40.837 42.059 0.297 0.000 0.891 430 L HN 0.410 nan 8.230 nan 0.000 0.433 431 Y N 0.602 120.969 120.300 0.112 0.000 2.096 431 Y HA -0.394 4.162 4.550 0.010 0.000 0.278 431 Y C 2.499 178.451 175.900 0.086 0.000 1.192 431 Y CA 2.403 60.563 58.100 0.101 0.000 1.143 431 Y CB -0.453 38.044 38.460 0.061 0.000 0.963 431 Y HN 0.566 nan 8.280 nan 0.000 0.505 432 D N -0.871 119.645 120.400 0.193 0.000 2.092 432 D HA -0.196 4.450 4.640 0.010 0.000 0.193 432 D C 2.181 178.539 176.300 0.097 0.000 0.994 432 D CA 1.896 55.968 54.000 0.120 0.000 0.828 432 D CB -0.123 40.733 40.800 0.094 0.000 0.963 432 D HN 0.250 nan 8.370 nan 0.000 0.450 433 R N -0.487 120.036 120.500 0.039 0.000 2.105 433 R HA -0.104 4.242 4.340 0.010 0.000 0.239 433 R C 2.431 178.720 176.300 -0.018 0.000 1.135 433 R CA 1.543 57.617 56.100 -0.044 0.000 0.967 433 R CB -0.390 29.769 30.300 -0.234 0.000 0.861 433 R HN 0.373 nan 8.270 nan 0.000 0.442 434 M N -0.213 119.375 119.600 -0.020 0.000 2.059 434 M HA -0.189 4.298 4.480 0.010 0.000 0.259 434 M C 1.858 178.194 176.300 0.061 0.000 1.072 434 M CA 1.754 57.046 55.300 -0.013 0.000 1.117 434 M CB -0.252 32.297 32.600 -0.084 0.000 1.320 434 M HN 0.111 nan 8.290 nan 0.000 0.408 435 F N 1.534 121.385 119.950 -0.165 0.000 2.091 435 F HA -0.295 4.238 4.527 0.010 0.000 0.299 435 F C 1.810 177.564 175.800 -0.076 0.000 1.103 435 F CA 2.518 60.421 58.000 -0.161 0.000 1.228 435 F CB -0.710 38.193 39.000 -0.162 0.000 0.984 435 F HN 0.395 nan 8.300 nan 0.000 0.477 436 N N -1.361 117.433 118.700 0.156 0.000 2.036 436 N HA -0.316 4.430 4.740 0.010 0.000 0.195 436 N C 1.712 177.232 175.510 0.017 0.000 1.037 436 N CA 1.575 54.668 53.050 0.072 0.000 0.855 436 N CB -0.712 37.823 38.487 0.079 0.000 1.033 436 N HN 0.500 nan 8.380 nan 0.000 0.423 437 W N 2.065 123.285 121.300 -0.133 0.000 2.402 437 W HA 0.040 4.707 4.660 0.010 0.000 0.286 437 W C 1.958 178.376 176.519 -0.169 0.000 1.221 437 W CA 0.497 57.756 57.345 -0.143 0.000 1.257 437 W CB -0.286 29.091 29.460 -0.138 0.000 1.120 437 W HN 0.021 nan 8.180 nan 0.000 0.551 438 L N -0.216 121.016 121.223 0.015 0.000 1.955 438 L HA -0.279 4.067 4.340 0.010 0.000 0.213 438 L C 2.296 178.935 176.870 -0.384 0.000 1.072 438 L CA 2.038 56.766 54.840 -0.186 0.000 0.755 438 L CB -1.060 40.766 42.059 -0.388 0.000 0.888 438 L HN -0.144 nan 8.230 nan 0.000 0.432 439 V N -0.110 119.518 119.914 -0.476 0.000 2.332 439 V HA -0.340 3.786 4.120 0.010 0.000 0.248 439 V C 2.647 178.538 176.094 -0.338 0.000 1.055 439 V CA 2.195 64.251 62.300 -0.406 0.000 1.038 439 V CB -0.806 30.789 31.823 -0.379 0.000 0.651 439 V HN 0.504 nan 8.190 nan 0.000 0.450 440 R N 0.251 120.541 120.500 -0.350 0.000 2.115 440 R HA -0.299 4.048 4.340 0.010 0.000 0.239 440 R C 2.466 178.468 176.300 -0.498 0.000 1.133 440 R CA 2.522 58.398 56.100 -0.375 0.000 0.935 440 R CB -0.367 29.704 30.300 -0.382 0.000 0.853 440 R HN 0.404 nan 8.270 nan 0.000 0.433 441 R N 0.272 120.309 120.500 -0.773 0.000 2.096 441 R HA -0.129 4.217 4.340 0.010 0.000 0.240 441 R C 2.023 178.045 176.300 -0.463 0.000 1.139 441 R CA 2.309 57.909 56.100 -0.833 0.000 0.952 441 R CB -0.870 28.727 30.300 -1.172 0.000 0.854 441 R HN 0.225 nan 8.270 nan 0.000 0.436 442 V N 1.299 121.029 119.914 -0.306 0.000 2.261 442 V HA -0.253 3.873 4.120 0.010 0.000 0.246 442 V C 1.788 177.769 176.094 -0.187 0.000 1.047 442 V CA 2.366 64.563 62.300 -0.172 0.000 1.015 442 V CB -0.794 30.941 31.823 -0.146 0.000 0.642 442 V HN 0.492 nan 8.190 nan 0.000 0.446 443 N N 0.146 118.721 118.700 -0.209 0.000 2.585 443 N HA -0.142 4.605 4.740 0.010 0.000 0.188 443 N C 1.760 177.160 175.510 -0.182 0.000 1.102 443 N CA 1.094 54.035 53.050 -0.181 0.000 0.920 443 N CB -0.120 38.261 38.487 -0.176 0.000 0.963 443 N HN 0.679 nan 8.380 nan 0.000 0.447 444 K N 0.157 120.427 120.400 -0.217 0.000 2.168 444 K HA 0.034 4.361 4.320 0.010 0.000 0.201 444 K C 1.911 178.404 176.600 -0.178 0.000 1.049 444 K CA 0.907 57.070 56.287 -0.207 0.000 0.974 444 K CB -0.965 31.379 32.500 -0.260 0.000 0.792 444 K HN 0.022 nan 8.250 nan 0.000 0.463 445 T N 1.000 115.444 114.554 -0.183 0.000 3.113 445 T HA 0.054 4.411 4.350 0.010 0.000 0.263 445 T C 0.872 175.509 174.700 -0.104 0.000 1.143 445 T CA 1.392 63.407 62.100 -0.141 0.000 1.090 445 T CB -0.341 68.456 68.868 -0.120 0.000 0.922 445 T HN 0.442 nan 8.240 nan 0.000 0.521 446 L N 0.455 121.611 121.223 -0.111 0.000 3.358 446 L HA 0.547 4.894 4.340 0.010 0.000 0.301 446 L C -0.442 176.364 176.870 -0.106 0.000 1.276 446 L CA -0.986 53.797 54.840 -0.096 0.000 1.028 446 L CB -0.142 41.864 42.059 -0.087 0.000 1.421 446 L HN -0.020 nan 8.230 nan 0.000 0.604 447 D N -0.304 120.024 120.400 -0.120 0.000 2.412 447 D HA 0.401 5.048 4.640 0.010 0.000 0.224 447 D C -0.502 175.728 176.300 -0.118 0.000 1.093 447 D CA -0.077 53.843 54.000 -0.134 0.000 0.850 447 D CB 1.234 41.950 40.800 -0.141 0.000 1.046 447 D HN 0.082 nan 8.370 nan 0.000 0.507 448 T N 3.551 118.037 114.554 -0.112 0.000 2.756 448 T HA 0.193 4.549 4.350 0.010 0.000 0.290 448 T C 0.307 174.947 174.700 -0.099 0.000 0.985 448 T CA -0.846 61.201 62.100 -0.090 0.000 0.955 448 T CB 0.862 69.690 68.868 -0.066 0.000 0.930 448 T HN 0.305 nan 8.240 nan 0.000 0.451 449 K N 2.980 123.326 120.400 -0.089 0.000 2.307 449 K HA 0.291 4.617 4.320 0.010 0.000 0.219 449 K C 0.773 177.334 176.600 -0.066 0.000 1.220 449 K CA -0.433 55.802 56.287 -0.086 0.000 1.208 449 K CB -0.205 32.253 32.500 -0.071 0.000 1.270 449 K HN 0.590 nan 8.250 nan 0.000 0.225 450 A N 1.415 124.193 122.820 -0.069 0.000 2.829 450 A HA 0.612 4.939 4.320 0.010 0.000 0.248 450 A C 0.097 177.664 177.584 -0.029 0.000 1.654 450 A CA -0.408 51.605 52.037 -0.038 0.000 0.860 450 A CB 0.146 19.131 19.000 -0.025 0.000 1.696 450 A HN 0.411 nan 8.150 nan 0.000 0.576 451 K N 0.686 121.086 120.400 0.001 0.000 2.347 451 K HA 0.581 4.907 4.320 0.010 0.000 0.262 451 K C -0.430 176.200 176.600 0.050 0.000 1.052 451 K CA -0.510 55.788 56.287 0.019 0.000 0.946 451 K CB 0.202 32.718 32.500 0.027 0.000 1.220 451 K HN 0.603 nan 8.250 nan 0.000 0.450 452 R N 1.313 121.841 120.500 0.047 0.000 2.404 452 R HA 0.468 4.814 4.340 0.010 0.000 0.291 452 R C 0.536 176.921 176.300 0.142 0.000 1.025 452 R CA -0.527 55.646 56.100 0.120 0.000 0.991 452 R CB 1.083 31.450 30.300 0.113 0.000 1.053 452 R HN 0.804 nan 8.270 nan 0.000 0.479 453 N N 0.033 118.845 118.700 0.187 0.000 2.372 453 N HA 0.071 4.817 4.740 0.010 0.000 0.242 453 N C -0.743 174.864 175.510 0.161 0.000 1.124 453 N CA 0.526 53.665 53.050 0.148 0.000 0.824 453 N CB 0.891 39.450 38.487 0.119 0.000 1.468 453 N HN 0.505 nan 8.380 nan 0.000 0.470 454 Y N 0.809 121.232 120.300 0.205 0.000 2.409 454 Y HA 0.492 5.048 4.550 0.010 0.000 0.321 454 Y C -2.005 173.991 175.900 0.161 0.000 1.209 454 Y CA -1.835 56.349 58.100 0.140 0.000 1.086 454 Y CB -0.069 38.445 38.460 0.089 0.000 1.320 454 Y HN 0.118 nan 8.280 nan 0.000 0.440 455 Y N 3.198 123.486 120.300 -0.021 0.000 2.409 455 Y HA 0.861 5.417 4.550 0.010 0.000 0.339 455 Y C -0.197 175.620 175.900 -0.138 0.000 1.033 455 Y CA -2.096 55.840 58.100 -0.273 0.000 1.094 455 Y CB 1.624 39.646 38.460 -0.730 0.000 1.210 455 Y HN 1.003 nan 8.280 nan 0.000 0.456 456 I N 2.126 122.646 120.570 -0.084 0.000 3.078 456 I HA 0.846 5.022 4.170 0.010 0.000 0.318 456 I C -0.035 176.112 176.117 0.049 0.000 1.016 456 I CA -0.790 60.513 61.300 0.004 0.000 1.130 456 I CB 1.680 39.734 38.000 0.091 0.000 1.397 456 I HN 1.022 nan 8.210 nan 0.000 0.570 457 G N 3.411 112.257 108.800 0.076 0.000 2.717 457 G HA2 0.495 4.462 3.960 0.010 0.000 0.300 457 G HA3 0.495 4.462 3.960 0.010 0.000 0.300 457 G C -1.989 172.989 174.900 0.131 0.000 1.424 457 G CA -0.368 44.754 45.100 0.037 0.000 1.033 457 G HN 0.461 nan 8.290 nan 0.000 0.577 458 V N 2.051 122.003 119.914 0.063 0.000 2.581 458 V HA 0.775 4.901 4.120 0.010 0.000 0.303 458 V C -0.530 175.741 176.094 0.295 0.000 1.041 458 V CA -0.957 61.436 62.300 0.155 0.000 0.907 458 V CB 1.738 33.610 31.823 0.082 0.000 0.994 458 V HN 0.816 nan 8.190 nan 0.000 0.442 459 L N 3.819 125.219 121.223 0.295 0.000 2.381 459 L HA 0.673 5.020 4.340 0.010 0.000 0.274 459 L C -0.896 176.064 176.870 0.149 0.000 0.988 459 L CA 0.062 55.083 54.840 0.301 0.000 0.824 459 L CB 1.707 43.863 42.059 0.162 0.000 1.263 459 L HN 0.827 nan 8.230 nan 0.000 0.410 460 D N 6.964 127.435 120.400 0.118 0.000 2.473 460 D HA 0.457 5.104 4.640 0.010 0.000 0.253 460 D C -1.348 174.963 176.300 0.018 0.000 1.233 460 D CA -0.246 53.784 54.000 0.051 0.000 0.908 460 D CB 1.220 42.031 40.800 0.018 0.000 1.170 460 D HN 0.679 nan 8.370 nan 0.000 0.558 461 I N 0.238 120.821 120.570 0.022 0.000 2.611 461 I HA 0.558 4.735 4.170 0.010 0.000 0.287 461 I C -0.351 175.775 176.117 0.016 0.000 1.184 461 I CA -1.054 60.251 61.300 0.008 0.000 1.054 461 I CB 1.501 39.514 38.000 0.023 0.000 1.257 461 I HN 0.281 nan 8.210 nan 0.000 0.435 462 A N 4.356 127.183 122.820 0.012 0.000 2.587 462 A HA 0.503 4.829 4.320 0.010 0.000 0.235 462 A C 0.950 178.561 177.584 0.044 0.000 1.044 462 A CA 0.939 52.991 52.037 0.025 0.000 0.754 462 A CB -0.263 18.751 19.000 0.023 0.000 0.968 462 A HN 1.151 nan 8.150 nan 0.000 0.509 463 G N 0.639 109.478 108.800 0.066 0.000 2.546 463 G HA2 0.404 4.371 3.960 0.010 0.000 0.239 463 G HA3 0.404 4.371 3.960 0.010 0.000 0.239 463 G C 0.149 175.141 174.900 0.155 0.000 1.476 463 G CA -0.496 44.677 45.100 0.120 0.000 1.064 463 G HN 0.835 nan 8.290 nan 0.000 0.561 464 F N 0.613 120.613 119.950 0.084 0.000 2.650 464 F HA 0.378 4.912 4.527 0.012 0.000 0.355 464 F C 0.436 176.254 175.800 0.029 0.000 1.163 464 F CA 0.884 58.920 58.000 0.060 0.000 1.374 464 F CB 0.154 39.119 39.000 -0.058 0.000 1.065 464 F HN 0.687 nan 8.300 nan 0.000 0.616 465 E N 5.099 124.662 120.200 -1.061 0.000 2.321 465 E HA 0.574 4.930 4.350 0.010 0.000 0.281 465 E C -1.711 174.329 176.600 -0.934 0.000 0.910 465 E CA -0.660 55.322 56.400 -0.696 0.000 0.770 465 E CB 1.289 30.899 29.700 -0.149 0.000 1.225 465 E HN 0.753 nan 8.360 nan 0.000 0.417 466 I N 3.246 123.461 120.570 -0.593 0.000 2.697 466 I HA 0.515 4.691 4.170 0.010 0.000 0.279 466 I C -1.160 174.882 176.117 -0.125 0.000 1.171 466 I CA -0.783 60.337 61.300 -0.301 0.000 1.135 466 I CB -0.583 37.377 38.000 -0.066 0.000 1.445 466 I HN 0.580 nan 8.210 nan 0.000 0.541 467 F N 2.881 122.723 119.950 -0.181 0.000 2.527 467 F HA 0.103 4.637 4.527 0.012 0.000 0.316 467 F C 1.734 177.499 175.800 -0.058 0.000 1.258 467 F CA 0.260 58.203 58.000 -0.094 0.000 1.314 467 F CB 0.261 39.222 39.000 -0.066 0.000 1.200 467 F HN 0.382 nan 8.300 nan 0.000 0.577 468 D N -0.065 120.457 120.400 0.203 0.000 2.084 468 D HA -0.170 4.476 4.640 0.010 0.000 0.194 468 D C 0.188 176.609 176.300 0.202 0.000 0.990 468 D CA 1.546 55.634 54.000 0.147 0.000 0.826 468 D CB -0.351 40.534 40.800 0.141 0.000 0.971 468 D HN 0.205 nan 8.370 nan 0.000 0.453 469 F N 1.616 121.618 119.950 0.086 0.000 2.332 469 F HA 0.336 4.869 4.527 0.010 0.000 0.368 469 F C -0.659 175.169 175.800 0.047 0.000 1.110 469 F CA -1.262 56.766 58.000 0.047 0.000 1.087 469 F CB 0.080 39.107 39.000 0.045 0.000 1.235 469 F HN -0.278 nan 8.300 nan 0.000 0.470 470 N N 3.955 122.386 118.700 -0.448 0.000 2.434 470 N HA 0.476 5.222 4.740 0.010 0.000 0.272 470 N C -0.759 174.468 175.510 -0.472 0.000 1.040 470 N CA -0.480 52.331 53.050 -0.397 0.000 0.956 470 N CB 1.298 39.590 38.487 -0.326 0.000 1.108 470 N HN 0.608 nan 8.380 nan 0.000 0.481 471 S N 1.033 116.588 115.700 -0.242 0.000 2.806 471 S HA 0.350 4.827 4.470 0.010 0.000 0.315 471 S C 0.658 175.436 174.600 0.297 0.000 1.127 471 S CA -0.791 57.453 58.200 0.074 0.000 0.918 471 S CB 0.534 63.701 63.200 -0.054 0.000 1.240 471 S HN 0.471 nan 8.310 nan 0.000 0.552 472 F N 2.987 122.893 119.950 -0.074 0.000 2.087 472 F HA -0.183 4.350 4.527 0.011 0.000 0.299 472 F C 2.575 178.128 175.800 -0.412 0.000 1.100 472 F CA 2.516 59.993 58.000 -0.871 0.000 1.226 472 F CB -0.771 37.216 39.000 -1.690 0.000 0.983 472 F HN 0.815 nan 8.300 nan 0.000 0.479 473 E N -0.065 119.840 120.200 -0.492 0.000 2.097 473 E HA -0.320 4.037 4.350 0.010 0.000 0.196 473 E C 1.947 178.333 176.600 -0.357 0.000 1.000 473 E CA 1.722 57.806 56.400 -0.528 0.000 0.804 473 E CB -0.974 28.553 29.700 -0.287 0.000 0.740 473 E HN 0.460 nan 8.360 nan 0.000 0.454 474 Q N 0.871 120.565 119.800 -0.176 0.000 2.050 474 Q HA -0.075 4.271 4.340 0.010 0.000 0.202 474 Q C 2.295 178.377 176.000 0.137 0.000 0.980 474 Q CA 1.119 56.918 55.803 -0.006 0.000 0.840 474 Q CB -0.682 28.101 28.738 0.076 0.000 0.898 474 Q HN 0.323 nan 8.270 nan 0.000 0.424 475 L N -0.018 121.279 121.223 0.123 0.000 2.021 475 L HA -0.291 4.055 4.340 0.010 0.000 0.215 475 L C 1.895 178.792 176.870 0.044 0.000 1.074 475 L CA 1.905 56.707 54.840 -0.064 0.000 0.760 475 L CB -0.765 41.085 42.059 -0.348 0.000 0.889 475 L HN 0.343 nan 8.230 nan 0.000 0.433 476 C N -0.722 118.461 119.300 -0.195 0.000 2.786 476 C HA -0.193 4.273 4.460 0.010 0.000 0.290 476 C C 2.594 177.657 174.990 0.121 0.000 1.244 476 C CA 0.880 59.858 59.018 -0.068 0.000 1.764 476 C CB -1.235 26.269 27.740 -0.392 0.000 2.097 476 C HN 0.672 nan 8.230 nan 0.000 0.456 477 I N 1.832 122.406 120.570 0.006 0.000 2.182 477 I HA -0.333 3.843 4.170 0.010 0.000 0.248 477 I C 2.147 178.348 176.117 0.140 0.000 1.073 477 I CA 2.050 63.379 61.300 0.048 0.000 1.335 477 I CB -0.342 37.658 38.000 0.001 0.000 1.031 477 I HN 0.468 nan 8.210 nan 0.000 0.420 478 N N -0.012 118.830 118.700 0.236 0.000 2.106 478 N HA -0.246 4.500 4.740 0.010 0.000 0.188 478 N C 1.734 177.441 175.510 0.328 0.000 1.029 478 N CA 1.765 55.064 53.050 0.415 0.000 0.848 478 N CB -0.860 38.061 38.487 0.724 0.000 1.007 478 N HN 0.563 nan 8.380 nan 0.000 0.423 479 Y N 1.720 122.136 120.300 0.193 0.000 2.114 479 Y HA -0.197 4.359 4.550 0.010 0.000 0.284 479 Y C 2.637 178.545 175.900 0.014 0.000 1.143 479 Y CA 2.024 60.176 58.100 0.086 0.000 1.135 479 Y CB -0.940 37.581 38.460 0.102 0.000 0.980 479 Y HN 0.015 nan 8.280 nan 0.000 0.499 480 T N -0.253 114.211 114.554 -0.150 0.000 2.803 480 T HA -0.230 4.126 4.350 0.010 0.000 0.269 480 T C 1.719 176.266 174.700 -0.255 0.000 1.052 480 T CA 2.032 63.952 62.100 -0.300 0.000 1.136 480 T CB -0.572 68.313 68.868 0.028 0.000 0.864 480 T HN 0.540 nan 8.240 nan 0.000 0.467 481 N N 0.318 118.968 118.700 -0.084 0.000 2.395 481 N HA 0.039 4.785 4.740 0.010 0.000 0.175 481 N C 1.671 177.121 175.510 -0.101 0.000 1.029 481 N CA 0.807 53.847 53.050 -0.015 0.000 0.897 481 N CB -0.062 38.526 38.487 0.169 0.000 0.991 481 N HN 0.535 nan 8.380 nan 0.000 0.441 482 E N -0.587 119.511 120.200 -0.170 0.000 2.482 482 E HA -0.047 4.309 4.350 0.010 0.000 0.196 482 E C 1.693 178.074 176.600 -0.366 0.000 1.047 482 E CA 0.258 56.418 56.400 -0.400 0.000 0.869 482 E CB 0.175 29.701 29.700 -0.290 0.000 0.836 482 E HN 0.123 nan 8.360 nan 0.000 0.520 483 R N -0.223 120.068 120.500 -0.348 0.000 2.173 483 R HA 0.126 4.472 4.340 0.010 0.000 0.208 483 R C 1.826 178.045 176.300 -0.136 0.000 1.035 483 R CA 0.611 56.536 56.100 -0.291 0.000 1.004 483 R CB 0.026 30.056 30.300 -0.450 0.000 0.917 483 R HN 0.208 nan 8.270 nan 0.000 0.462 484 L N 0.165 121.310 121.223 -0.131 0.000 2.240 484 L HA -0.051 4.295 4.340 0.010 0.000 0.211 484 L C 2.202 179.152 176.870 0.134 0.000 1.106 484 L CA 0.666 55.519 54.840 0.023 0.000 0.793 484 L CB -0.406 41.645 42.059 -0.014 0.000 0.927 484 L HN 0.251 nan 8.230 nan 0.000 0.446 485 Q N 0.320 120.073 119.800 -0.079 0.000 2.020 485 Q HA -0.284 4.063 4.340 0.010 0.000 0.202 485 Q C 2.100 178.132 176.000 0.054 0.000 0.982 485 Q CA 1.647 57.376 55.803 -0.124 0.000 0.838 485 Q CB -0.290 28.125 28.738 -0.538 0.000 0.899 485 Q HN 0.506 nan 8.270 nan 0.000 0.423 486 Q N -0.497 119.321 119.800 0.030 0.000 2.376 486 Q HA -0.187 4.159 4.340 0.010 0.000 0.211 486 Q C 1.727 177.903 176.000 0.293 0.000 0.986 486 Q CA 0.927 56.807 55.803 0.127 0.000 0.886 486 Q CB -0.065 28.733 28.738 0.101 0.000 0.927 486 Q HN 0.259 nan 8.270 nan 0.000 0.457 487 F N -0.211 119.858 119.950 0.200 0.000 2.092 487 F HA -0.114 4.419 4.527 0.010 0.000 0.286 487 F C 1.751 177.688 175.800 0.229 0.000 1.116 487 F CA 1.277 59.404 58.000 0.211 0.000 1.185 487 F CB -0.939 38.238 39.000 0.295 0.000 1.034 487 F HN 0.124 nan 8.300 nan 0.000 0.479 488 F N 2.275 122.272 119.950 0.077 0.000 2.091 488 F HA -0.210 4.322 4.527 0.009 0.000 0.299 488 F C 2.449 178.128 175.800 -0.201 0.000 1.103 488 F CA 2.645 60.525 58.000 -0.199 0.000 1.228 488 F CB -1.601 37.217 39.000 -0.304 0.000 0.984 488 F HN 0.150 nan 8.300 nan 0.000 0.477 489 N N -0.607 118.281 118.700 0.313 0.000 2.272 489 N HA -0.274 4.472 4.740 0.010 0.000 0.185 489 N C 2.046 177.553 175.510 -0.005 0.000 1.014 489 N CA 1.705 54.851 53.050 0.160 0.000 0.870 489 N CB -1.404 37.152 38.487 0.114 0.000 0.975 489 N HN 0.750 nan 8.380 nan 0.000 0.433 490 H N -0.935 118.057 119.070 -0.130 0.000 2.329 490 H HA -0.038 4.524 4.556 0.010 0.000 0.306 490 H C 1.406 176.543 175.328 -0.318 0.000 1.062 490 H CA 1.045 56.983 56.048 -0.183 0.000 1.364 490 H CB -0.588 29.068 29.762 -0.176 0.000 1.409 490 H HN 0.599 nan 8.280 nan 0.000 0.519 491 H N -0.121 118.754 119.070 -0.326 0.000 2.567 491 H HA -0.020 4.542 4.556 0.010 0.000 0.276 491 H C 1.439 176.457 175.328 -0.515 0.000 1.016 491 H CA 0.584 56.355 56.048 -0.463 0.000 1.186 491 H CB 0.378 29.741 29.762 -0.664 0.000 1.351 491 H HN 0.332 nan 8.280 nan 0.000 0.605 492 M N -1.925 117.418 119.600 -0.429 0.000 2.491 492 M HA 0.011 4.497 4.480 0.010 0.000 0.259 492 M C 2.507 178.671 176.300 -0.226 0.000 1.163 492 M CA 0.170 55.224 55.300 -0.409 0.000 1.109 492 M CB -0.900 31.375 32.600 -0.541 0.000 1.353 492 M HN 0.240 nan 8.290 nan 0.000 0.500 493 F N 0.287 120.109 119.950 -0.213 0.000 2.163 493 F HA -0.102 4.431 4.527 0.010 0.000 0.297 493 F C 2.059 177.648 175.800 -0.353 0.000 1.094 493 F CA 1.151 59.043 58.000 -0.179 0.000 1.290 493 F CB -0.987 37.947 39.000 -0.110 0.000 1.017 493 F HN 0.013 nan 8.300 nan 0.000 0.483 494 I N 0.425 120.757 120.570 -0.397 0.000 2.208 494 I HA -0.234 3.942 4.170 0.010 0.000 0.245 494 I C 2.536 178.482 176.117 -0.285 0.000 1.097 494 I CA 1.080 62.165 61.300 -0.358 0.000 1.363 494 I CB -1.259 36.501 38.000 -0.401 0.000 1.051 494 I HN 0.357 nan 8.210 nan 0.000 0.413 495 L N 0.601 121.672 121.223 -0.253 0.000 2.551 495 L HA -0.187 4.160 4.340 0.010 0.000 0.230 495 L C 1.999 178.736 176.870 -0.222 0.000 1.163 495 L CA 1.676 56.404 54.840 -0.186 0.000 0.826 495 L CB -0.550 41.424 42.059 -0.142 0.000 0.943 495 L HN 0.316 nan 8.230 nan 0.000 0.452 496 E N -1.104 118.876 120.200 -0.367 0.000 2.228 496 E HA -0.049 4.307 4.350 0.010 0.000 0.197 496 E C 1.585 177.795 176.600 -0.651 0.000 0.909 496 E CA -0.006 56.065 56.400 -0.549 0.000 0.911 496 E CB 0.089 29.250 29.700 -0.897 0.000 0.887 496 E HN 0.286 nan 8.360 nan 0.000 0.481 497 Q N -0.183 119.259 119.800 -0.597 0.000 2.541 497 Q HA -0.109 4.237 4.340 0.010 0.000 0.216 497 Q C 0.455 176.351 176.000 -0.173 0.000 0.968 497 Q CA 1.182 56.770 55.803 -0.358 0.000 0.989 497 Q CB 0.175 28.758 28.738 -0.258 0.000 0.991 497 Q HN 0.391 nan 8.270 nan 0.000 0.549 498 E N -0.195 119.900 120.200 -0.175 0.000 2.633 498 E HA 0.046 4.403 4.350 0.010 0.000 0.222 498 E C 0.614 177.192 176.600 -0.036 0.000 0.899 498 E CA -0.039 56.310 56.400 -0.085 0.000 1.292 498 E CB 0.496 30.141 29.700 -0.091 0.000 1.257 498 E HN 0.451 nan 8.360 nan 0.000 0.626 499 E N -1.027 119.153 120.200 -0.034 0.000 2.693 499 E HA 0.229 4.586 4.350 0.010 0.000 0.214 499 E C 0.081 176.786 176.600 0.174 0.000 0.990 499 E CA -0.327 56.108 56.400 0.058 0.000 1.047 499 E CB 0.470 30.204 29.700 0.057 0.000 1.039 499 E HN 0.404 nan 8.360 nan 0.000 0.475 500 Y N 0.670 120.908 120.300 -0.103 0.000 2.507 500 Y HA 0.211 4.766 4.550 0.009 0.000 0.263 500 Y C 1.687 177.474 175.900 -0.189 0.000 1.093 500 Y CA 0.146 58.134 58.100 -0.187 0.000 1.285 500 Y CB 0.623 39.003 38.460 -0.134 0.000 1.115 500 Y HN -0.090 nan 8.280 nan 0.000 0.533 501 K N -0.294 120.138 120.400 0.054 0.000 2.141 501 K HA -0.044 4.282 4.320 0.010 0.000 0.202 501 K C 1.939 178.523 176.600 -0.026 0.000 1.045 501 K CA 0.749 57.028 56.287 -0.012 0.000 0.971 501 K CB 0.098 32.594 32.500 -0.007 0.000 0.795 501 K HN -0.120 nan 8.250 nan 0.000 0.459 502 K N 2.149 122.548 120.400 -0.002 0.000 2.160 502 K HA -0.195 4.131 4.320 0.010 0.000 0.206 502 K C 1.630 178.225 176.600 -0.008 0.000 1.047 502 K CA 2.299 58.588 56.287 0.005 0.000 0.930 502 K CB -0.312 32.205 32.500 0.029 0.000 0.720 502 K HN 0.185 nan 8.250 nan 0.000 0.450 503 E N 0.137 120.314 120.200 -0.038 0.000 2.501 503 E HA 0.287 4.643 4.350 0.010 0.000 0.200 503 E C 0.662 177.142 176.600 -0.199 0.000 1.016 503 E CA 0.260 56.603 56.400 -0.094 0.000 0.921 503 E CB -0.711 28.919 29.700 -0.117 0.000 1.034 503 E HN 0.574 nan 8.360 nan 0.000 0.468 504 G N 1.261 109.969 108.800 -0.152 0.000 2.376 504 G HA2 -0.128 3.838 3.960 0.010 0.000 0.226 504 G HA3 -0.128 3.838 3.960 0.010 0.000 0.226 504 G C 0.890 175.625 174.900 -0.275 0.000 0.268 504 G CA 1.059 46.057 45.100 -0.170 0.000 1.066 504 G HN 1.292 nan 8.290 nan 0.000 0.474 505 I N -1.059 119.293 120.570 -0.363 0.000 5.061 505 I HA 0.612 4.788 4.170 0.010 0.000 0.336 505 I C 1.386 177.246 176.117 -0.428 0.000 1.247 505 I CA 0.371 61.373 61.300 -0.496 0.000 1.418 505 I CB -0.086 37.437 38.000 -0.795 0.000 1.467 505 I HN 1.704 nan 8.210 nan 0.000 0.510 506 A N 1.838 124.467 122.820 -0.319 0.000 2.136 506 A HA -0.220 4.107 4.320 0.010 0.000 0.274 506 A C 0.038 177.573 177.584 -0.082 0.000 1.388 506 A CA 0.537 52.495 52.037 -0.132 0.000 0.741 506 A CB -2.412 16.545 19.000 -0.072 0.000 1.173 506 A HN 0.689 nan 8.150 nan 0.000 0.329 507 W N 1.886 123.009 121.300 -0.296 0.000 1.160 507 W HA 0.267 4.935 4.660 0.013 0.000 0.525 507 W C 0.756 177.299 176.519 0.039 0.000 0.583 507 W CA 0.601 57.885 57.345 -0.103 0.000 2.494 507 W CB -0.488 28.858 29.460 -0.190 0.000 1.262 507 W HN 0.783 nan 8.180 nan 0.000 0.206 508 E N 1.150 121.439 120.200 0.148 0.000 2.705 508 E HA -0.025 4.331 4.350 0.010 0.000 0.272 508 E C -0.630 175.597 176.600 -0.621 0.000 1.528 508 E CA 0.295 56.568 56.400 -0.213 0.000 1.750 508 E CB -1.057 28.410 29.700 -0.388 0.000 1.439 508 E HN 0.126 nan 8.360 nan 0.000 0.449 509 F N 0.851 120.958 119.950 0.262 0.000 2.541 509 F HA 0.302 4.835 4.527 0.009 0.000 0.368 509 F C -0.956 174.968 175.800 0.206 0.000 1.530 509 F CA -0.808 57.336 58.000 0.241 0.000 1.102 509 F CB 0.468 39.628 39.000 0.267 0.000 1.382 509 F HN -0.048 nan 8.300 nan 0.000 0.541 510 I N -2.197 118.478 120.570 0.175 0.000 2.571 510 I HA 0.530 4.707 4.170 0.010 0.000 0.286 510 I C -0.107 176.054 176.117 0.072 0.000 1.134 510 I CA -0.935 60.426 61.300 0.103 0.000 1.052 510 I CB 1.201 39.253 38.000 0.086 0.000 1.237 510 I HN 0.113 nan 8.210 nan 0.000 0.435 511 D N 4.393 124.831 120.400 0.063 0.000 2.643 511 D HA 0.646 5.293 4.640 0.010 0.000 0.244 511 D C 0.173 176.498 176.300 0.040 0.000 1.257 511 D CA 0.067 54.095 54.000 0.047 0.000 0.831 511 D CB -0.081 40.746 40.800 0.045 0.000 1.043 511 D HN 0.612 nan 8.370 nan 0.000 0.488 512 F N -1.113 118.863 119.950 0.044 0.000 2.378 512 F HA 0.626 5.159 4.527 0.010 0.000 0.319 512 F C 1.970 177.777 175.800 0.012 0.000 1.155 512 F CA -0.526 57.482 58.000 0.013 0.000 1.157 512 F CB 0.687 39.678 39.000 -0.015 0.000 1.252 512 F HN 0.873 nan 8.300 nan 0.000 0.550 513 G N -1.880 106.909 108.800 -0.018 0.000 2.232 513 G HA2 -0.012 3.954 3.960 0.010 0.000 0.226 513 G HA3 -0.012 3.954 3.960 0.010 0.000 0.226 513 G C 1.075 175.984 174.900 0.014 0.000 0.996 513 G CA 1.511 46.608 45.100 -0.004 0.000 0.626 513 G HN 2.380 nan 8.290 nan 0.000 0.509 514 M N 0.000 119.611 119.600 0.018 0.000 2.394 514 M HA 0.422 4.908 4.480 0.010 0.000 0.266 514 M C 1.863 178.175 176.300 0.020 0.000 1.098 514 M CA 2.562 57.876 55.300 0.024 0.000 1.149 514 M CB -1.131 31.485 32.600 0.028 0.000 1.369 514 M HN 0.241 nan 8.290 nan 0.000 0.450 515 D N 0.446 120.852 120.400 0.011 0.000 2.221 515 D HA -0.142 4.504 4.640 0.010 0.000 0.204 515 D C 1.789 178.100 176.300 0.018 0.000 0.982 515 D CA 1.259 55.267 54.000 0.014 0.000 0.857 515 D CB -0.034 40.767 40.800 0.003 0.000 0.934 515 D HN 0.454 nan 8.370 nan 0.000 0.475 516 L N 0.072 121.299 121.223 0.008 0.000 2.313 516 L HA 0.002 4.348 4.340 0.010 0.000 0.214 516 L C 1.104 177.984 176.870 0.016 0.000 1.119 516 L CA 1.157 56.000 54.840 0.004 0.000 0.809 516 L CB -0.318 41.725 42.059 -0.026 0.000 0.933 516 L HN 0.096 nan 8.230 nan 0.000 0.449 517 Q N -0.466 119.349 119.800 0.024 0.000 2.329 517 Q HA 0.018 4.364 4.340 0.010 0.000 0.208 517 Q C 1.453 177.478 176.000 0.042 0.000 0.934 517 Q CA 0.147 55.969 55.803 0.033 0.000 0.951 517 Q CB 0.465 29.223 28.738 0.032 0.000 1.017 517 Q HN 0.447 nan 8.270 nan 0.000 0.490 518 M N -1.869 117.760 119.600 0.049 0.000 2.514 518 M HA -0.032 4.455 4.480 0.010 0.000 0.258 518 M C 1.521 177.868 176.300 0.079 0.000 1.119 518 M CA 0.487 55.819 55.300 0.054 0.000 1.111 518 M CB -0.060 32.572 32.600 0.053 0.000 1.390 518 M HN 0.243 nan 8.290 nan 0.000 0.475 519 C N -1.119 118.247 119.300 0.109 0.000 2.563 519 C HA 0.188 4.654 4.460 0.010 0.000 0.346 519 C C 2.484 177.579 174.990 0.175 0.000 1.334 519 C CA -0.386 58.736 59.018 0.174 0.000 1.938 519 C CB -0.522 27.368 27.740 0.250 0.000 2.445 519 C HN 0.298 nan 8.230 nan 0.000 0.541 520 I N 2.347 122.995 120.570 0.131 0.000 2.142 520 I HA -0.165 4.011 4.170 0.010 0.000 0.240 520 I C 2.099 178.304 176.117 0.147 0.000 1.078 520 I CA 1.913 63.305 61.300 0.154 0.000 1.343 520 I CB -0.667 37.368 38.000 0.059 0.000 1.046 520 I HN 0.239 nan 8.210 nan 0.000 0.405 521 D N 0.228 120.679 120.400 0.086 0.000 2.088 521 D HA -0.223 4.423 4.640 0.010 0.000 0.191 521 D C 2.273 178.601 176.300 0.048 0.000 0.992 521 D CA 1.434 55.470 54.000 0.059 0.000 0.831 521 D CB -0.242 40.580 40.800 0.037 0.000 0.973 521 D HN 0.265 nan 8.370 nan 0.000 0.447 522 L N 0.363 121.602 121.223 0.026 0.000 1.971 522 L HA -0.241 4.105 4.340 0.010 0.000 0.215 522 L C 2.716 179.599 176.870 0.022 0.000 1.072 522 L CA 2.313 57.131 54.840 -0.038 0.000 0.758 522 L CB -0.682 41.343 42.059 -0.058 0.000 0.889 522 L HN 0.231 nan 8.230 nan 0.000 0.433 523 I N -0.397 120.229 120.570 0.094 0.000 2.502 523 I HA -0.270 3.906 4.170 0.010 0.000 0.258 523 I C 2.307 178.413 176.117 -0.018 0.000 1.172 523 I CA 2.475 63.823 61.300 0.080 0.000 1.430 523 I CB -1.124 36.968 38.000 0.154 0.000 1.086 523 I HN 0.762 nan 8.210 nan 0.000 0.440 524 E N 0.709 120.931 120.200 0.037 0.000 2.536 524 E HA 0.031 4.387 4.350 0.010 0.000 0.220 524 E C 0.879 177.507 176.600 0.048 0.000 0.876 524 E CA -0.083 56.325 56.400 0.014 0.000 1.190 524 E CB -0.144 29.601 29.700 0.074 0.000 1.191 524 E HN 0.820 nan 8.360 nan 0.000 0.557 525 K N 1.242 121.676 120.400 0.056 0.000 2.552 525 K HA -0.001 4.325 4.320 0.010 0.000 0.276 525 K C -1.890 174.750 176.600 0.067 0.000 0.960 525 K CA -0.395 55.925 56.287 0.055 0.000 0.961 525 K CB 0.033 32.561 32.500 0.046 0.000 0.902 525 K HN -0.225 nan 8.250 nan 0.000 0.515 526 P HA -0.125 nan 4.420 nan 0.000 0.224 526 P C 0.614 177.961 177.300 0.079 0.000 1.142 526 P CA 1.251 64.388 63.100 0.062 0.000 0.778 526 P CB 0.154 31.884 31.700 0.051 0.000 0.764 527 M N -2.949 116.715 119.600 0.107 0.000 2.306 527 M HA 0.247 4.733 4.480 0.010 0.000 0.292 527 M C 1.149 177.607 176.300 0.264 0.000 1.018 527 M CA 0.085 55.475 55.300 0.151 0.000 1.007 527 M CB -0.220 32.482 32.600 0.170 0.000 1.510 527 M HN -0.211 nan 8.290 nan 0.000 0.537 528 G N 0.520 109.453 108.800 0.222 0.000 2.683 528 G HA2 0.272 4.238 3.960 0.010 0.000 0.260 528 G HA3 0.272 4.238 3.960 0.010 0.000 0.260 528 G C 1.149 176.212 174.900 0.272 0.000 1.238 528 G CA -0.542 44.727 45.100 0.281 0.000 0.934 528 G HN 0.239 nan 8.290 nan 0.000 0.534 529 I N -0.524 120.200 120.570 0.256 0.000 2.163 529 I HA -0.175 4.001 4.170 0.010 0.000 0.243 529 I C 2.634 178.867 176.117 0.193 0.000 1.085 529 I CA 0.839 62.271 61.300 0.220 0.000 1.347 529 I CB -0.347 37.815 38.000 0.269 0.000 1.044 529 I HN 0.219 nan 8.210 nan 0.000 0.408 530 L N 0.949 122.244 121.223 0.119 0.000 2.127 530 L HA -0.191 4.155 4.340 0.010 0.000 0.211 530 L C 2.938 179.852 176.870 0.073 0.000 1.089 530 L CA 2.317 57.201 54.840 0.074 0.000 0.757 530 L CB -1.372 40.675 42.059 -0.019 0.000 0.899 530 L HN 0.328 nan 8.230 nan 0.000 0.434 531 S N -0.666 115.083 115.700 0.083 0.000 2.406 531 S HA -0.041 4.435 4.470 0.010 0.000 0.228 531 S C 2.006 176.649 174.600 0.073 0.000 1.020 531 S CA 1.213 59.456 58.200 0.072 0.000 0.965 531 S CB -0.419 62.830 63.200 0.080 0.000 0.798 531 S HN 0.306 nan 8.310 nan 0.000 0.488 532 I N 1.072 121.704 120.570 0.103 0.000 2.185 532 I HA -0.105 4.071 4.170 0.010 0.000 0.235 532 I C 2.910 179.106 176.117 0.132 0.000 1.069 532 I CA 1.002 62.376 61.300 0.122 0.000 1.354 532 I CB -0.805 37.279 38.000 0.141 0.000 1.093 532 I HN 0.331 nan 8.210 nan 0.000 0.411 533 L N 0.881 122.231 121.223 0.211 0.000 2.450 533 L HA -0.163 4.183 4.340 0.010 0.000 0.225 533 L C 2.431 179.229 176.870 -0.121 0.000 1.145 533 L CA 2.598 57.424 54.840 -0.024 0.000 0.801 533 L CB -2.492 39.577 42.059 0.017 0.000 0.924 533 L HN 0.536 nan 8.230 nan 0.000 0.447 534 E N 0.328 120.504 120.200 -0.041 0.000 2.340 534 E HA 0.008 4.364 4.350 0.010 0.000 0.194 534 E C 1.863 178.430 176.600 -0.054 0.000 0.996 534 E CA 0.833 57.204 56.400 -0.048 0.000 0.869 534 E CB -0.183 29.516 29.700 -0.001 0.000 0.835 534 E HN 1.021 nan 8.360 nan 0.000 0.493 535 E N -1.269 118.901 120.200 -0.050 0.000 2.372 535 E HA 0.194 4.551 4.350 0.010 0.000 0.201 535 E C 1.843 178.329 176.600 -0.191 0.000 0.938 535 E CA 0.671 57.041 56.400 -0.049 0.000 0.944 535 E CB 0.044 29.759 29.700 0.024 0.000 0.937 535 E HN 0.322 nan 8.360 nan 0.000 0.495 536 E N 1.028 121.069 120.200 -0.264 0.000 2.520 536 E HA -0.007 4.349 4.350 0.010 0.000 0.201 536 E C 1.490 177.687 176.600 -0.671 0.000 1.122 536 E CA 1.004 57.069 56.400 -0.558 0.000 0.896 536 E CB -0.900 28.619 29.700 -0.302 0.000 0.891 536 E HN 0.447 nan 8.360 nan 0.000 0.533 537 C N -0.986 118.051 119.300 -0.438 0.000 3.230 537 C HA 0.390 4.857 4.460 0.010 0.000 0.300 537 C C 1.822 176.704 174.990 -0.180 0.000 1.292 537 C CA 0.276 59.115 59.018 -0.299 0.000 1.707 537 C CB -0.672 26.951 27.740 -0.196 0.000 2.181 537 C HN 0.661 nan 8.230 nan 0.000 0.655 538 M N 1.902 121.420 119.600 -0.135 0.000 2.766 538 M HA 0.207 4.694 4.480 0.010 0.000 0.208 538 M C -0.873 175.608 176.300 0.301 0.000 1.152 538 M CA 0.696 56.047 55.300 0.087 0.000 1.013 538 M CB -0.830 31.862 32.600 0.153 0.000 1.813 538 M HN 0.504 nan 8.290 nan 0.000 0.478 539 F N -3.396 116.548 119.950 -0.010 0.000 2.656 539 F HA 0.342 4.875 4.527 0.011 0.000 0.326 539 F C -2.610 173.182 175.800 -0.013 0.000 1.109 539 F CA -2.254 55.741 58.000 -0.008 0.000 1.086 539 F CB -0.228 38.770 39.000 -0.004 0.000 1.324 539 F HN -0.190 nan 8.300 nan 0.000 0.511 540 P HA -0.113 nan 4.420 nan 0.000 0.234 540 P C 0.650 178.006 177.300 0.093 0.000 1.162 540 P CA 1.185 64.332 63.100 0.079 0.000 0.759 540 P CB -0.349 31.388 31.700 0.062 0.000 0.813 541 K N 0.471 120.994 120.400 0.204 0.000 3.233 541 K HA 0.410 4.737 4.320 0.010 0.000 0.283 541 K C 1.201 177.868 176.600 0.112 0.000 1.209 541 K CA 0.417 56.829 56.287 0.208 0.000 1.197 541 K CB -1.501 31.216 32.500 0.362 0.000 1.431 541 K HN 0.252 nan 8.250 nan 0.000 0.326 542 A N 1.332 124.158 122.820 0.010 0.000 2.810 542 A HA 0.214 4.541 4.320 0.010 0.000 0.247 542 A C 0.126 177.697 177.584 -0.021 0.000 1.576 542 A CA -0.120 51.877 52.037 -0.067 0.000 1.294 542 A CB -0.859 18.087 19.000 -0.091 0.000 0.976 542 A HN 0.638 nan 8.150 nan 0.000 0.631 543 D N 0.200 120.617 120.400 0.028 0.000 2.346 543 D HA 0.218 4.865 4.640 0.010 0.000 0.260 543 D C 0.455 176.793 176.300 0.062 0.000 1.252 543 D CA 0.063 54.090 54.000 0.045 0.000 0.895 543 D CB 0.645 41.480 40.800 0.059 0.000 1.097 543 D HN 0.344 nan 8.370 nan 0.000 0.489 544 D N 3.120 123.557 120.400 0.063 0.000 2.265 544 D HA -0.160 4.486 4.640 0.010 0.000 0.208 544 D C 1.973 178.345 176.300 0.119 0.000 0.977 544 D CA 1.597 55.666 54.000 0.116 0.000 0.871 544 D CB 0.031 40.897 40.800 0.109 0.000 0.925 544 D HN 0.519 nan 8.370 nan 0.000 0.485 545 K N 0.456 120.894 120.400 0.064 0.000 2.167 545 K HA 0.013 4.339 4.320 0.010 0.000 0.203 545 K C 2.068 178.683 176.600 0.024 0.000 1.052 545 K CA 1.242 57.541 56.287 0.021 0.000 0.956 545 K CB -0.916 31.588 32.500 0.007 0.000 0.735 545 K HN 0.326 nan 8.250 nan 0.000 0.451 546 S N -0.986 114.753 115.700 0.065 0.000 2.522 546 S HA 0.051 4.527 4.470 0.010 0.000 0.227 546 S C 1.762 176.428 174.600 0.109 0.000 0.986 546 S CA 0.856 59.102 58.200 0.077 0.000 0.929 546 S CB -0.374 62.893 63.200 0.112 0.000 0.769 546 S HN 0.491 nan 8.310 nan 0.000 0.529 547 F N 2.641 122.551 119.950 -0.067 0.000 2.243 547 F HA 0.229 4.762 4.527 0.010 0.000 0.287 547 F C 2.961 178.672 175.800 -0.148 0.000 1.067 547 F CA 1.200 59.137 58.000 -0.105 0.000 1.304 547 F CB -1.068 37.872 39.000 -0.101 0.000 1.087 547 F HN 0.316 nan 8.300 nan 0.000 0.513 548 Q N 0.371 120.047 119.800 -0.206 0.000 2.308 548 Q HA -0.198 4.148 4.340 0.010 0.000 0.209 548 Q C 1.730 177.536 176.000 -0.324 0.000 0.985 548 Q CA 2.125 57.716 55.803 -0.353 0.000 0.881 548 Q CB -1.162 27.447 28.738 -0.215 0.000 0.917 548 Q HN 0.582 nan 8.270 nan 0.000 0.443 549 D N -0.474 119.798 120.400 -0.213 0.000 2.165 549 D HA -0.042 4.604 4.640 0.010 0.000 0.213 549 D C 2.526 178.706 176.300 -0.200 0.000 0.983 549 D CA 2.025 55.925 54.000 -0.168 0.000 0.881 549 D CB -0.208 40.538 40.800 -0.089 0.000 1.028 549 D HN 0.538 nan 8.370 nan 0.000 0.457 550 K N 1.159 121.460 120.400 -0.165 0.000 2.144 550 K HA -0.216 4.111 4.320 0.010 0.000 0.209 550 K C 2.098 178.529 176.600 -0.281 0.000 1.047 550 K CA 1.575 57.768 56.287 -0.157 0.000 0.927 550 K CB -1.296 31.169 32.500 -0.059 0.000 0.716 550 K HN 0.103 nan 8.250 nan 0.000 0.454 551 L N -0.433 120.521 121.223 -0.447 0.000 1.988 551 L HA -0.006 4.340 4.340 0.010 0.000 0.207 551 L C 2.897 179.527 176.870 -0.399 0.000 1.071 551 L CA 2.804 57.313 54.840 -0.550 0.000 0.744 551 L CB -0.730 40.830 42.059 -0.832 0.000 0.893 551 L HN 0.586 nan 8.230 nan 0.000 0.433 552 Y N -1.829 118.277 120.300 -0.322 0.000 2.632 552 Y HA -0.066 4.490 4.550 0.010 0.000 0.301 552 Y C 2.241 178.060 175.900 -0.136 0.000 1.172 552 Y CA 1.150 59.136 58.100 -0.191 0.000 1.328 552 Y CB -0.606 37.756 38.460 -0.162 0.000 1.016 552 Y HN 0.417 nan 8.280 nan 0.000 0.529 553 Q N -0.260 119.442 119.800 -0.163 0.000 2.319 553 Q HA 0.019 4.365 4.340 0.010 0.000 0.202 553 Q C -0.019 175.913 176.000 -0.112 0.000 0.896 553 Q CA 0.866 56.602 55.803 -0.111 0.000 0.942 553 Q CB 0.213 28.890 28.738 -0.102 0.000 1.083 553 Q HN 0.866 nan 8.270 nan 0.000 0.510 554 N N -2.015 116.577 118.700 -0.180 0.000 2.272 554 N HA 0.080 4.826 4.740 0.010 0.000 0.228 554 N C -0.316 175.187 175.510 -0.012 0.000 1.206 554 N CA 0.151 53.093 53.050 -0.181 0.000 0.855 554 N CB 0.611 38.856 38.487 -0.403 0.000 1.248 554 N HN 0.160 nan 8.380 nan 0.000 0.476 555 H N -0.450 118.587 119.070 -0.055 0.000 2.587 555 H HA 0.517 5.080 4.556 0.011 0.000 0.245 555 H C -0.303 175.011 175.328 -0.023 0.000 1.238 555 H CA -0.398 55.633 56.048 -0.028 0.000 0.963 555 H CB 0.364 30.111 29.762 -0.026 0.000 1.904 555 H HN 0.047 nan 8.280 nan 0.000 0.584 556 M N 0.503 120.146 119.600 0.072 0.000 2.167 556 M HA 0.589 5.075 4.480 0.010 0.000 0.333 556 M C 1.371 177.697 176.300 0.043 0.000 1.030 556 M CA -0.022 55.302 55.300 0.040 0.000 0.963 556 M CB 0.195 32.791 32.600 -0.007 0.000 1.589 556 M HN 0.537 nan 8.290 nan 0.000 0.431 557 G N 1.369 110.199 108.800 0.050 0.000 2.205 557 G HA2 -0.260 3.706 3.960 0.010 0.000 0.269 557 G HA3 -0.260 3.706 3.960 0.010 0.000 0.269 557 G C 1.059 175.984 174.900 0.042 0.000 0.977 557 G CA 0.897 46.022 45.100 0.041 0.000 0.652 557 G HN 0.923 nan 8.290 nan 0.000 0.539 558 K N 0.248 120.679 120.400 0.052 0.000 2.029 558 K HA 0.078 4.405 4.320 0.010 0.000 0.205 558 K C 1.582 178.207 176.600 0.041 0.000 1.042 558 K CA 1.324 57.640 56.287 0.048 0.000 0.949 558 K CB -0.518 32.020 32.500 0.063 0.000 0.740 558 K HN 0.510 nan 8.250 nan 0.000 0.442 559 N N 0.861 119.586 118.700 0.041 0.000 2.477 559 N HA 0.111 4.857 4.740 0.010 0.000 0.284 559 N C -0.032 175.504 175.510 0.043 0.000 1.353 559 N CA -0.143 52.927 53.050 0.034 0.000 0.907 559 N CB 0.192 38.693 38.487 0.023 0.000 1.096 559 N HN 0.034 nan 8.380 nan 0.000 0.479 560 R N 0.253 120.782 120.500 0.049 0.000 2.835 560 R HA 0.432 4.778 4.340 0.010 0.000 0.290 560 R C -0.953 175.387 176.300 0.067 0.000 1.410 560 R CA -0.278 55.853 56.100 0.052 0.000 1.590 560 R CB -0.120 30.206 30.300 0.044 0.000 1.288 560 R HN 0.377 nan 8.270 nan 0.000 0.637 561 M N 0.644 120.294 119.600 0.083 0.000 2.299 561 M HA 0.495 4.981 4.480 0.010 0.000 0.210 561 M C -1.087 175.293 176.300 0.133 0.000 0.981 561 M CA -0.583 54.780 55.300 0.104 0.000 1.014 561 M CB 0.582 33.265 32.600 0.138 0.000 2.651 561 M HN 0.286 nan 8.290 nan 0.000 0.426 570 R N 1.941 122.446 120.500 0.007 0.000 2.673 570 R HA 0.993 5.339 4.340 0.010 0.000 0.281 570 R C -3.159 173.146 176.300 0.008 0.000 0.991 570 R CA -1.172 54.931 56.100 0.005 0.000 0.896 570 R CB 0.501 30.805 30.300 0.008 0.000 1.201 570 R HN 0.906 nan 8.270 nan 0.000 0.457 571 P HA 0.427 nan 4.420 nan 0.000 0.298 571 P C 0.339 177.643 177.300 0.007 0.000 1.314 571 P CA 0.663 63.765 63.100 0.004 0.000 0.854 571 P CB 1.502 33.201 31.700 -0.002 0.000 1.019 572 N N -1.062 117.643 118.700 0.009 0.000 2.857 572 N HA -0.236 4.511 4.740 0.010 0.000 0.242 572 N C 0.502 176.028 175.510 0.026 0.000 0.983 572 N CA 2.079 55.137 53.050 0.013 0.000 0.934 572 N CB -2.388 36.103 38.487 0.008 0.000 1.115 572 N HN 1.105 nan 8.380 nan 0.000 0.593 573 Q N -0.831 118.986 119.800 0.028 0.000 2.227 573 Q HA 0.792 5.138 4.340 0.010 0.000 0.245 573 Q C 1.257 177.288 176.000 0.051 0.000 0.926 573 Q CA 0.381 56.212 55.803 0.047 0.000 0.895 573 Q CB 1.091 29.851 28.738 0.037 0.000 1.230 573 Q HN 1.790 nan 8.270 nan 0.000 0.450 574 G N 0.418 109.268 108.800 0.083 0.000 3.075 574 G HA2 0.713 4.679 3.960 0.010 0.000 0.156 574 G HA3 0.713 4.679 3.960 0.010 0.000 0.156 574 G C -1.878 173.075 174.900 0.089 0.000 1.403 574 G CA -0.267 44.867 45.100 0.057 0.000 1.033 574 G HN 0.748 nan 8.290 nan 0.000 0.589 575 P HA 0.616 nan 4.420 nan 0.000 0.286 575 P C -0.983 176.453 177.300 0.226 0.000 1.269 575 P CA -0.071 63.105 63.100 0.126 0.000 0.787 575 P CB 1.522 33.232 31.700 0.016 0.000 0.920 576 A N 2.197 125.084 122.820 0.111 0.000 2.604 576 A HA 0.450 4.776 4.320 0.010 0.000 0.295 576 A C -0.189 177.488 177.584 0.156 0.000 1.067 576 A CA -0.578 51.469 52.037 0.017 0.000 0.683 576 A CB 0.722 19.732 19.000 0.018 0.000 1.281 576 A HN 0.681 nan 8.150 nan 0.000 0.407 577 H N 0.033 119.202 119.070 0.164 0.000 2.604 577 H HA 0.352 4.914 4.556 0.010 0.000 0.273 577 H C -0.376 175.153 175.328 0.335 0.000 0.971 577 H CA 0.901 57.069 56.048 0.201 0.000 1.249 577 H CB 0.667 30.511 29.762 0.137 0.000 1.449 577 H HN 0.700 nan 8.280 nan 0.000 0.512 578 F N -0.539 119.473 119.950 0.104 0.000 2.688 578 F HA 0.470 5.004 4.527 0.012 0.000 0.308 578 F C -1.214 174.647 175.800 0.101 0.000 1.117 578 F CA -1.522 56.524 58.000 0.076 0.000 0.976 578 F CB 1.205 40.235 39.000 0.051 0.000 1.291 578 F HN -0.207 nan 8.300 nan 0.000 0.439 579 E N 1.025 121.150 120.200 -0.126 0.000 3.262 579 E HA 0.755 5.112 4.350 0.010 0.000 0.257 579 E C -1.745 174.764 176.600 -0.151 0.000 1.195 579 E CA -1.249 55.002 56.400 -0.249 0.000 1.160 579 E CB 1.607 31.226 29.700 -0.134 0.000 1.416 579 E HN 0.589 nan 8.360 nan 0.000 0.630 580 L N -0.055 121.091 121.223 -0.128 0.000 2.737 580 L HA 0.216 4.563 4.340 0.010 0.000 0.261 580 L C -1.014 175.845 176.870 -0.019 0.000 0.949 580 L CA 0.158 54.999 54.840 0.002 0.000 0.952 580 L CB 0.411 42.520 42.059 0.085 0.000 1.337 580 L HN 0.735 nan 8.230 nan 0.000 0.430 581 H N 3.165 122.275 119.070 0.066 0.000 3.412 581 H HA 0.223 4.786 4.556 0.010 0.000 0.240 581 H C 0.028 175.468 175.328 0.187 0.000 1.213 581 H CA 1.224 57.317 56.048 0.075 0.000 1.497 581 H CB -0.762 29.042 29.762 0.069 0.000 1.619 581 H HN 0.865 nan 8.280 nan 0.000 0.508 582 H N 0.384 119.481 119.070 0.043 0.000 2.681 582 H HA 0.176 4.737 4.556 0.009 0.000 0.206 582 H C 1.407 176.771 175.328 0.061 0.000 1.531 582 H CA 0.794 56.895 56.048 0.087 0.000 1.575 582 H CB 0.479 30.247 29.762 0.010 0.000 1.559 582 H HN 0.772 nan 8.280 nan 0.000 0.804 583 Y N -2.256 117.995 120.300 -0.082 0.000 2.439 583 Y HA 0.446 5.002 4.550 0.010 0.000 0.281 583 Y C 2.047 177.798 175.900 -0.248 0.000 1.145 583 Y CA 0.094 58.098 58.100 -0.160 0.000 1.252 583 Y CB -0.252 38.105 38.460 -0.172 0.000 1.271 583 Y HN 0.301 nan 8.280 nan 0.000 0.516 584 A N 1.271 123.352 122.820 -1.232 0.000 2.258 584 A HA 0.522 4.849 4.320 0.010 0.000 0.206 584 A C 1.065 178.285 177.584 -0.607 0.000 1.222 584 A CA 1.006 52.511 52.037 -0.886 0.000 0.822 584 A CB -1.473 16.861 19.000 -1.111 0.000 0.804 584 A HN 0.936 nan 8.150 nan 0.000 0.483 585 G N -0.979 107.546 108.800 -0.459 0.000 2.362 585 G HA2 0.165 4.131 3.960 0.010 0.000 0.288 585 G HA3 0.165 4.131 3.960 0.010 0.000 0.288 585 G C -1.697 173.124 174.900 -0.133 0.000 1.305 585 G CA -0.931 44.035 45.100 -0.223 0.000 0.910 585 G HN 0.129 nan 8.290 nan 0.000 0.518 586 N N 0.095 118.743 118.700 -0.087 0.000 2.424 586 N HA 0.468 5.214 4.740 0.010 0.000 0.271 586 N C -0.495 174.919 175.510 -0.161 0.000 0.985 586 N CA -0.282 52.704 53.050 -0.107 0.000 0.921 586 N CB 2.305 40.745 38.487 -0.078 0.000 1.149 586 N HN 0.386 nan 8.380 nan 0.000 0.492 587 V N 4.462 124.186 119.914 -0.317 0.000 2.334 587 V HA 0.234 4.360 4.120 0.010 0.000 0.267 587 V C -1.886 173.750 176.094 -0.763 0.000 1.040 587 V CA -1.526 60.449 62.300 -0.542 0.000 0.866 587 V CB 1.078 32.408 31.823 -0.821 0.000 1.019 587 V HN 0.480 nan 8.190 nan 0.000 0.468 588 P HA 0.175 nan 4.420 nan 0.000 0.273 588 P C -0.934 176.086 177.300 -0.467 0.000 1.428 588 P CA -0.157 62.714 63.100 -0.381 0.000 0.995 588 P CB 0.067 31.661 31.700 -0.176 0.000 1.286 589 Y N 1.035 121.094 120.300 -0.402 0.000 2.301 589 Y HA 0.306 4.863 4.550 0.012 0.000 0.328 589 Y C 1.462 177.226 175.900 -0.226 0.000 1.242 589 Y CA 0.093 57.973 58.100 -0.366 0.000 1.323 589 Y CB 1.071 39.166 38.460 -0.608 0.000 1.266 589 Y HN 0.245 nan 8.280 nan 0.000 0.527 590 S N 3.479 119.190 115.700 0.018 0.000 2.707 590 S HA 0.358 4.834 4.470 0.010 0.000 0.312 590 S C 0.352 174.807 174.600 -0.242 0.000 1.116 590 S CA -0.808 57.288 58.200 -0.174 0.000 1.078 590 S CB -0.255 62.905 63.200 -0.067 0.000 0.997 590 S HN 0.637 nan 8.310 nan 0.000 0.477 591 I N 2.517 122.808 120.570 -0.465 0.000 3.646 591 I HA 0.171 4.347 4.170 0.010 0.000 0.301 591 I C 0.913 176.836 176.117 -0.324 0.000 1.276 591 I CA -0.307 60.307 61.300 -1.143 0.000 1.254 591 I CB -1.291 36.305 38.000 -0.673 0.000 1.020 591 I HN 0.582 nan 8.210 nan 0.000 0.473 592 T N 0.422 114.990 114.554 0.023 0.000 2.822 592 T HA 0.234 4.590 4.350 0.010 0.000 0.288 592 T C 1.172 176.050 174.700 0.298 0.000 0.991 592 T CA 0.235 62.463 62.100 0.213 0.000 1.176 592 T CB 0.304 69.314 68.868 0.237 0.000 0.951 592 T HN 0.791 nan 8.240 nan 0.000 0.526 593 G N 2.685 111.624 108.800 0.232 0.000 2.372 593 G HA2 -0.224 3.742 3.960 0.010 0.000 0.297 593 G HA3 -0.224 3.742 3.960 0.010 0.000 0.297 593 G C 0.300 175.385 174.900 0.310 0.000 1.005 593 G CA 0.209 45.436 45.100 0.212 0.000 1.173 593 G HN 0.813 nan 8.290 nan 0.000 0.511 594 W N -0.297 120.980 121.300 -0.038 0.000 2.580 594 W HA 0.345 5.010 4.660 0.009 0.000 0.287 594 W C 2.536 178.879 176.519 -0.293 0.000 1.175 594 W CA 0.819 58.076 57.345 -0.146 0.000 1.409 594 W CB -0.851 28.519 29.460 -0.150 0.000 1.101 594 W HN 0.337 nan 8.180 nan 0.000 0.558 595 L N 0.422 121.580 121.223 -0.108 0.000 1.965 595 L HA -0.340 4.006 4.340 0.010 0.000 0.226 595 L C 2.491 179.264 176.870 -0.162 0.000 1.083 595 L CA 2.355 57.055 54.840 -0.233 0.000 0.790 595 L CB -1.107 40.807 42.059 -0.241 0.000 0.898 595 L HN 0.018 nan 8.230 nan 0.000 0.439 596 E N 0.061 120.209 120.200 -0.086 0.000 2.147 596 E HA -0.324 4.032 4.350 0.010 0.000 0.199 596 E C 2.176 178.743 176.600 -0.054 0.000 1.005 596 E CA 1.679 58.047 56.400 -0.055 0.000 0.810 596 E CB -0.029 29.660 29.700 -0.018 0.000 0.736 596 E HN 0.301 nan 8.360 nan 0.000 0.460 597 K N 0.375 120.737 120.400 -0.062 0.000 2.288 597 K HA -0.144 4.182 4.320 0.010 0.000 0.201 597 K C 1.586 178.125 176.600 -0.103 0.000 1.048 597 K CA 1.136 57.392 56.287 -0.053 0.000 0.956 597 K CB -0.058 32.420 32.500 -0.035 0.000 0.746 597 K HN 0.007 nan 8.250 nan 0.000 0.461 598 N N 0.672 119.237 118.700 -0.224 0.000 2.521 598 N HA -0.079 4.667 4.740 0.010 0.000 0.188 598 N C -0.536 174.911 175.510 -0.105 0.000 1.146 598 N CA 0.411 53.304 53.050 -0.261 0.000 0.893 598 N CB 0.242 38.486 38.487 -0.405 0.000 0.975 598 N HN 0.154 nan 8.380 nan 0.000 0.451 599 K N -3.215 117.149 120.400 -0.060 0.000 2.597 599 K HA 0.239 4.565 4.320 0.010 0.000 0.278 599 K C -1.729 174.874 176.600 0.005 0.000 0.984 599 K CA -0.144 56.132 56.287 -0.018 0.000 0.775 599 K CB -0.433 32.050 32.500 -0.028 0.000 1.465 599 K HN -0.211 nan 8.250 nan 0.000 0.351 600 D N 1.888 122.302 120.400 0.024 0.000 2.396 600 D HA 0.355 5.002 4.640 0.010 0.000 0.225 600 D C -1.797 174.521 176.300 0.029 0.000 1.121 600 D CA -1.628 52.397 54.000 0.041 0.000 0.853 600 D CB 0.780 41.625 40.800 0.075 0.000 1.043 600 D HN 0.323 nan 8.370 nan 0.000 0.500 601 P HA 0.174 nan 4.420 nan 0.000 0.249 601 P C 0.243 177.553 177.300 0.016 0.000 1.593 601 P CA -0.112 62.995 63.100 0.011 0.000 0.896 601 P CB -0.892 30.811 31.700 0.004 0.000 1.581 602 I N -3.818 116.768 120.570 0.027 0.000 2.496 602 I HA 0.279 4.455 4.170 0.010 0.000 0.285 602 I C 0.577 176.697 176.117 0.004 0.000 1.080 602 I CA -0.739 60.574 61.300 0.020 0.000 1.404 602 I CB -0.140 37.880 38.000 0.033 0.000 1.403 602 I HN -0.136 nan 8.210 nan 0.000 0.539 603 N N 4.917 123.613 118.700 -0.006 0.000 2.411 603 N HA -0.030 4.717 4.740 0.010 0.000 0.282 603 N C 0.878 176.377 175.510 -0.019 0.000 1.322 603 N CA 0.111 53.154 53.050 -0.011 0.000 0.943 603 N CB -0.420 38.059 38.487 -0.014 0.000 1.266 603 N HN 0.860 nan 8.380 nan 0.000 0.486 604 E N 0.686 120.880 120.200 -0.010 0.000 2.301 604 E HA -0.351 4.005 4.350 0.010 0.000 0.202 604 E C 2.431 179.016 176.600 -0.025 0.000 1.017 604 E CA 1.518 57.910 56.400 -0.012 0.000 0.831 604 E CB -0.399 29.302 29.700 0.001 0.000 0.742 604 E HN 0.907 nan 8.360 nan 0.000 0.491 605 N N 1.028 119.715 118.700 -0.023 0.000 2.104 605 N HA -0.147 4.600 4.740 0.010 0.000 0.190 605 N C 2.169 177.652 175.510 -0.044 0.000 1.024 605 N CA 1.901 54.937 53.050 -0.024 0.000 0.853 605 N CB -0.885 37.593 38.487 -0.015 0.000 1.008 605 N HN 0.007 nan 8.380 nan 0.000 0.424 606 V N 0.445 120.322 119.914 -0.061 0.000 2.283 606 V HA -0.174 3.952 4.120 0.010 0.000 0.243 606 V C 2.520 178.504 176.094 -0.183 0.000 1.039 606 V CA 1.466 63.703 62.300 -0.105 0.000 1.016 606 V CB -0.778 30.982 31.823 -0.105 0.000 0.650 606 V HN 0.509 nan 8.190 nan 0.000 0.449 607 V N 1.024 120.824 119.914 -0.190 0.000 2.239 607 V HA -0.390 3.736 4.120 0.010 0.000 0.246 607 V C 2.822 178.823 176.094 -0.156 0.000 1.037 607 V CA 2.800 64.959 62.300 -0.234 0.000 1.012 607 V CB -1.731 30.052 31.823 -0.067 0.000 0.650 607 V HN 0.557 nan 8.190 nan 0.000 0.467 608 A N -0.583 122.200 122.820 -0.061 0.000 1.971 608 A HA -0.297 4.029 4.320 0.010 0.000 0.222 608 A C 2.269 179.827 177.584 -0.043 0.000 1.182 608 A CA 2.686 54.707 52.037 -0.027 0.000 0.649 608 A CB -0.768 18.225 19.000 -0.012 0.000 0.818 608 A HN 0.565 nan 8.150 nan 0.000 0.458 609 L N -0.979 120.203 121.223 -0.068 0.000 1.976 609 L HA -0.206 4.140 4.340 0.010 0.000 0.209 609 L C 3.057 179.881 176.870 -0.077 0.000 1.071 609 L CA 1.797 56.600 54.840 -0.061 0.000 0.746 609 L CB -0.430 41.590 42.059 -0.064 0.000 0.890 609 L HN 0.463 nan 8.230 nan 0.000 0.432 610 L N -1.043 120.087 121.223 -0.155 0.000 2.201 610 L HA 0.010 4.356 4.340 0.010 0.000 0.212 610 L C 2.327 179.163 176.870 -0.057 0.000 1.105 610 L CA 1.852 56.589 54.840 -0.172 0.000 0.775 610 L CB -2.372 39.417 42.059 -0.450 0.000 0.913 610 L HN 0.488 nan 8.230 nan 0.000 0.440 611 G N -1.691 107.088 108.800 -0.034 0.000 2.807 611 G HA2 0.286 4.252 3.960 0.010 0.000 0.207 611 G HA3 0.286 4.252 3.960 0.010 0.000 0.207 611 G C 1.064 175.988 174.900 0.040 0.000 1.151 611 G CA 0.885 46.026 45.100 0.069 0.000 0.800 611 G HN 1.214 nan 8.290 nan 0.000 0.523 612 A N -0.638 122.189 122.820 0.013 0.000 2.628 612 A HA 0.625 4.951 4.320 0.010 0.000 0.267 612 A C 1.058 178.643 177.584 0.002 0.000 1.159 612 A CA 0.380 52.422 52.037 0.008 0.000 0.972 612 A CB 0.071 19.072 19.000 0.001 0.000 1.211 612 A HN 0.266 nan 8.150 nan 0.000 0.576 613 S N -0.164 115.538 115.700 0.003 0.000 2.611 613 S HA 0.374 4.851 4.470 0.010 0.000 0.252 613 S C 1.798 176.391 174.600 -0.011 0.000 1.369 613 S CA 0.943 59.140 58.200 -0.005 0.000 0.975 613 S CB 0.770 63.969 63.200 -0.002 0.000 0.937 613 S HN 0.793 nan 8.310 nan 0.000 0.584 614 K N 0.695 121.082 120.400 -0.022 0.000 2.099 614 K HA 0.242 4.568 4.320 0.010 0.000 0.203 614 K C 0.879 177.450 176.600 -0.050 0.000 1.047 614 K CA 1.300 57.569 56.287 -0.031 0.000 0.963 614 K CB -0.967 31.514 32.500 -0.031 0.000 0.759 614 K HN 0.740 nan 8.250 nan 0.000 0.451 615 E N 1.443 121.602 120.200 -0.068 0.000 2.493 615 E HA 0.029 4.385 4.350 0.010 0.000 0.255 615 E C -1.545 174.996 176.600 -0.098 0.000 0.999 615 E CA -1.829 54.515 56.400 -0.094 0.000 0.934 615 E CB 1.406 31.040 29.700 -0.111 0.000 0.940 615 E HN 0.220 nan 8.360 nan 0.000 0.473 616 P HA -0.224 nan 4.420 nan 0.000 0.216 616 P C 1.323 178.498 177.300 -0.209 0.000 1.150 616 P CA 0.750 63.775 63.100 -0.125 0.000 0.837 616 P CB 0.200 31.834 31.700 -0.110 0.000 0.786 617 L N 0.345 121.391 121.223 -0.295 0.000 2.017 617 L HA -0.128 4.219 4.340 0.010 0.000 0.208 617 L C 2.478 179.139 176.870 -0.349 0.000 1.073 617 L CA 1.776 56.319 54.840 -0.495 0.000 0.745 617 L CB -1.437 40.317 42.059 -0.508 0.000 0.894 617 L HN -0.212 nan 8.230 nan 0.000 0.432 618 V N 0.296 120.111 119.914 -0.164 0.000 2.233 618 V HA -0.309 3.817 4.120 0.010 0.000 0.247 618 V C 2.826 178.965 176.094 0.075 0.000 1.050 618 V CA 1.822 64.129 62.300 0.011 0.000 1.010 618 V CB -1.817 30.050 31.823 0.073 0.000 0.637 618 V HN 0.604 nan 8.190 nan 0.000 0.444 619 A N -0.097 122.735 122.820 0.020 0.000 1.859 619 A HA -0.349 3.977 4.320 0.010 0.000 0.217 619 A C 2.317 179.901 177.584 0.000 0.000 1.198 619 A CA 2.419 54.480 52.037 0.039 0.000 0.629 619 A CB -0.762 18.238 19.000 -0.000 0.000 0.830 619 A HN 0.652 nan 8.150 nan 0.000 0.446 620 E N -0.482 119.666 120.200 -0.087 0.000 2.160 620 E HA -0.156 4.200 4.350 0.010 0.000 0.195 620 E C 1.824 178.331 176.600 -0.156 0.000 0.991 620 E CA 1.002 57.341 56.400 -0.101 0.000 0.810 620 E CB -0.201 29.413 29.700 -0.143 0.000 0.742 620 E HN 0.640 nan 8.360 nan 0.000 0.466 621 L N -0.501 120.552 121.223 -0.283 0.000 2.291 621 L HA -0.040 4.306 4.340 0.010 0.000 0.214 621 L C 0.405 176.876 176.870 -0.665 0.000 1.120 621 L CA 0.459 55.009 54.840 -0.483 0.000 0.799 621 L CB 0.233 41.904 42.059 -0.646 0.000 0.925 621 L HN 0.113 nan 8.230 nan 0.000 0.446 622 F N -1.031 118.899 119.950 -0.033 0.000 2.623 622 F HA 0.244 4.777 4.527 0.010 0.000 0.361 622 F C 1.076 176.871 175.800 -0.009 0.000 1.469 622 F CA -0.650 57.343 58.000 -0.011 0.000 1.126 622 F CB 0.104 39.097 39.000 -0.011 0.000 1.221 622 F HN -0.214 nan 8.300 nan 0.000 0.536 623 K N 1.473 121.926 120.400 0.088 0.000 2.011 623 K HA 0.549 4.875 4.320 0.010 0.000 0.216 623 K C 0.634 177.277 176.600 0.073 0.000 1.026 623 K CA 1.099 57.425 56.287 0.065 0.000 0.987 623 K CB 0.091 32.610 32.500 0.032 0.000 0.907 623 K HN 0.351 nan 8.250 nan 0.000 0.448 643 Q N 2.151 121.966 119.800 0.025 0.000 2.292 643 Q HA 0.430 4.776 4.340 0.010 0.000 0.290 643 Q C 0.740 176.749 176.000 0.015 0.000 1.161 643 Q CA 0.649 56.461 55.803 0.015 0.000 0.974 643 Q CB -1.132 27.609 28.738 0.005 0.000 1.136 643 Q HN 1.817 nan 8.270 nan 0.000 0.398 644 T N 1.702 116.268 114.554 0.021 0.000 2.882 644 T HA 0.062 4.418 4.350 0.010 0.000 0.330 644 T C 1.319 176.038 174.700 0.033 0.000 1.075 644 T CA 0.744 62.862 62.100 0.031 0.000 1.129 644 T CB -0.196 68.692 68.868 0.033 0.000 1.071 644 T HN 1.282 nan 8.240 nan 0.000 0.531 645 I N -0.096 120.514 120.570 0.067 0.000 6.151 645 I HA -0.319 3.857 4.170 0.010 0.000 0.126 645 I C 1.361 177.573 176.117 0.158 0.000 1.812 645 I CA 0.978 62.342 61.300 0.107 0.000 2.108 645 I CB -2.173 35.888 38.000 0.102 0.000 3.427 645 I HN 0.869 nan 8.210 nan 0.000 0.191 646 S N -1.013 114.766 115.700 0.132 0.000 2.761 646 S HA 0.398 4.874 4.470 0.010 0.000 0.273 646 S C 1.409 176.085 174.600 0.126 0.000 1.073 646 S CA 0.273 58.560 58.200 0.144 0.000 1.048 646 S CB 0.355 63.599 63.200 0.073 0.000 0.955 646 S HN 0.470 nan 8.310 nan 0.000 0.500 647 A N 1.092 123.969 122.820 0.095 0.000 2.291 647 A HA 0.651 4.977 4.320 0.010 0.000 0.220 647 A C 1.281 178.925 177.584 0.100 0.000 1.262 647 A CA 0.634 52.719 52.037 0.081 0.000 0.867 647 A CB -0.411 18.622 19.000 0.056 0.000 0.888 647 A HN 0.572 nan 8.150 nan 0.000 0.487 648 V N -2.912 117.088 119.914 0.143 0.000 3.294 648 V HA 0.063 4.189 4.120 0.010 0.000 0.255 648 V C 1.671 177.912 176.094 0.245 0.000 1.528 648 V CA 0.713 63.107 62.300 0.158 0.000 1.086 648 V CB -0.456 31.448 31.823 0.136 0.000 0.906 648 V HN 0.790 nan 8.190 nan 0.000 0.433 649 H N 0.326 119.469 119.070 0.121 0.000 2.516 649 H HA 0.162 4.724 4.556 0.010 0.000 0.284 649 H C 2.265 177.679 175.328 0.143 0.000 0.999 649 H CA 0.380 56.514 56.048 0.144 0.000 1.303 649 H CB 0.647 30.493 29.762 0.140 0.000 1.452 649 H HN 0.153 nan 8.280 nan 0.000 0.530 650 R N 0.670 121.248 120.500 0.131 0.000 2.285 650 R HA -0.102 4.244 4.340 0.010 0.000 0.213 650 R C 1.799 178.124 176.300 0.042 0.000 1.068 650 R CA 1.317 57.454 56.100 0.063 0.000 1.004 650 R CB 0.269 30.608 30.300 0.065 0.000 0.873 650 R HN 0.510 nan 8.270 nan 0.000 0.467 651 E N -0.772 119.469 120.200 0.069 0.000 2.192 651 E HA 0.058 4.414 4.350 0.010 0.000 0.196 651 E C 1.706 178.351 176.600 0.076 0.000 0.922 651 E CA 0.526 56.962 56.400 0.061 0.000 0.924 651 E CB -0.702 29.041 29.700 0.072 0.000 0.911 651 E HN 0.299 nan 8.360 nan 0.000 0.478 652 S N 0.436 116.227 115.700 0.152 0.000 2.392 652 S HA -0.166 4.310 4.470 0.010 0.000 0.232 652 S C 1.990 176.712 174.600 0.203 0.000 1.041 652 S CA 1.584 59.935 58.200 0.252 0.000 1.026 652 S CB -0.247 63.227 63.200 0.457 0.000 0.845 652 S HN 0.400 nan 8.310 nan 0.000 0.465 653 L N 1.931 123.145 121.223 -0.015 0.000 2.068 653 L HA 0.105 4.451 4.340 0.010 0.000 0.204 653 L C 1.713 178.494 176.870 -0.147 0.000 1.076 653 L CA 1.596 56.312 54.840 -0.207 0.000 0.753 653 L CB -1.063 40.728 42.059 -0.447 0.000 0.910 653 L HN 0.101 nan 8.230 nan 0.000 0.439 654 N N -0.162 118.480 118.700 -0.096 0.000 2.091 654 N HA -0.267 4.480 4.740 0.010 0.000 0.193 654 N C 1.778 177.244 175.510 -0.073 0.000 1.021 654 N CA 1.729 54.727 53.050 -0.086 0.000 0.862 654 N CB -0.167 38.296 38.487 -0.039 0.000 1.018 654 N HN 0.359 nan 8.380 nan 0.000 0.429 655 K N 0.332 120.720 120.400 -0.020 0.000 1.965 655 K HA -0.149 4.177 4.320 0.010 0.000 0.214 655 K C 1.962 178.552 176.600 -0.018 0.000 1.046 655 K CA 1.221 57.513 56.287 0.008 0.000 0.944 655 K CB -0.541 31.994 32.500 0.059 0.000 0.726 655 K HN 0.103 nan 8.250 nan 0.000 0.441 656 L N 1.285 122.499 121.223 -0.015 0.000 2.011 656 L HA -0.309 4.037 4.340 0.010 0.000 0.225 656 L C 2.307 179.048 176.870 -0.216 0.000 1.084 656 L CA 2.137 56.891 54.840 -0.142 0.000 0.791 656 L CB -0.531 41.422 42.059 -0.178 0.000 0.898 656 L HN 0.379 nan 8.230 nan 0.000 0.440 657 M N 0.345 119.805 119.600 -0.233 0.000 2.065 657 M HA -0.184 4.303 4.480 0.010 0.000 0.259 657 M C 2.387 178.543 176.300 -0.241 0.000 1.071 657 M CA 2.493 57.623 55.300 -0.282 0.000 1.109 657 M CB -1.893 30.500 32.600 -0.344 0.000 1.313 657 M HN 0.402 nan 8.290 nan 0.000 0.408 658 K N 0.423 120.707 120.400 -0.193 0.000 2.687 658 K HA -0.066 4.260 4.320 0.010 0.000 0.197 658 K C 1.332 177.936 176.600 0.007 0.000 1.018 658 K CA 1.392 57.609 56.287 -0.116 0.000 1.035 658 K CB -1.716 30.734 32.500 -0.083 0.000 0.834 658 K HN 0.711 nan 8.250 nan 0.000 0.496 659 N N -1.367 117.352 118.700 0.031 0.000 2.474 659 N HA 0.184 4.931 4.740 0.010 0.000 0.224 659 N C 1.491 177.122 175.510 0.203 0.000 1.092 659 N CA 0.095 53.232 53.050 0.144 0.000 0.844 659 N CB 0.375 38.955 38.487 0.155 0.000 1.381 659 N HN 0.275 nan 8.380 nan 0.000 0.458 660 L N 0.406 121.683 121.223 0.090 0.000 2.072 660 L HA -0.047 4.300 4.340 0.010 0.000 0.205 660 L C 0.944 177.994 176.870 0.300 0.000 1.079 660 L CA 0.824 55.699 54.840 0.058 0.000 0.752 660 L CB -0.341 41.512 42.059 -0.344 0.000 0.906 660 L HN 0.246 nan 8.230 nan 0.000 0.436 661 Y N -0.589 119.781 120.300 0.117 0.000 2.618 661 Y HA -0.079 4.477 4.550 0.010 0.000 0.351 661 Y C 1.633 177.627 175.900 0.158 0.000 1.221 661 Y CA 0.275 58.501 58.100 0.209 0.000 1.248 661 Y CB -0.410 38.106 38.460 0.093 0.000 1.119 661 Y HN 0.011 nan 8.280 nan 0.000 0.483 662 S N -0.589 115.280 115.700 0.281 0.000 3.093 662 S HA 0.156 4.632 4.470 0.010 0.000 0.251 662 S C -0.265 174.417 174.600 0.136 0.000 0.905 662 S CA -0.030 58.285 58.200 0.191 0.000 1.124 662 S CB -0.339 62.968 63.200 0.178 0.000 1.124 662 S HN 0.317 nan 8.310 nan 0.000 0.574 663 T N -0.378 114.274 114.554 0.162 0.000 3.109 663 T HA 0.347 4.703 4.350 0.010 0.000 0.311 663 T C -0.898 173.862 174.700 0.100 0.000 1.011 663 T CA -0.574 61.581 62.100 0.092 0.000 1.026 663 T CB 0.961 69.867 68.868 0.063 0.000 1.047 663 T HN 0.267 nan 8.240 nan 0.000 0.448 664 H N 6.357 125.412 119.070 -0.024 0.000 3.191 664 H HA 0.179 4.741 4.556 0.011 0.000 0.261 664 H C -2.200 172.892 175.328 -0.393 0.000 1.013 664 H CA -1.093 54.864 56.048 -0.153 0.000 1.457 664 H CB 0.809 30.522 29.762 -0.082 0.000 1.535 664 H HN 0.474 nan 8.280 nan 0.000 0.518 665 P HA 0.020 nan 4.420 nan 0.000 0.271 665 P C -0.588 176.072 177.300 -1.067 0.000 1.233 665 P CA 0.271 62.881 63.100 -0.817 0.000 0.789 665 P CB 1.090 32.135 31.700 -1.091 0.000 0.951 666 H N 0.329 119.106 119.070 -0.489 0.000 2.750 666 H HA 0.247 4.810 4.556 0.010 0.000 0.261 666 H C -0.314 174.884 175.328 -0.217 0.000 1.387 666 H CA -0.333 55.584 56.048 -0.217 0.000 1.557 666 H CB -0.630 29.120 29.762 -0.020 0.000 1.756 666 H HN 0.235 nan 8.280 nan 0.000 0.580 667 F N 1.172 121.112 119.950 -0.017 0.000 2.496 667 F HA 0.261 4.796 4.527 0.014 0.000 0.344 667 F C 0.972 176.786 175.800 0.024 0.000 1.155 667 F CA -0.053 57.923 58.000 -0.038 0.000 1.302 667 F CB 0.744 39.605 39.000 -0.232 0.000 1.159 667 F HN 0.006 nan 8.300 nan 0.000 0.595 668 V N 3.425 123.513 119.914 0.290 0.000 2.655 668 V HA 0.436 4.563 4.120 0.010 0.000 0.301 668 V C -0.618 175.617 176.094 0.235 0.000 1.082 668 V CA -1.100 61.349 62.300 0.248 0.000 0.899 668 V CB 1.870 33.807 31.823 0.191 0.000 1.014 668 V HN 0.557 nan 8.190 nan 0.000 0.429 669 R N 2.244 122.891 120.500 0.245 0.000 2.338 669 R HA 0.644 4.990 4.340 0.010 0.000 0.317 669 R C -0.896 175.447 176.300 0.072 0.000 0.968 669 R CA -0.356 55.847 56.100 0.172 0.000 0.849 669 R CB 1.633 32.059 30.300 0.211 0.000 1.128 669 R HN 0.729 nan 8.270 nan 0.000 0.448 670 C N 3.632 122.950 119.300 0.029 0.000 2.366 670 C HA 0.703 5.169 4.460 0.010 0.000 0.345 670 C C 0.576 175.533 174.990 -0.054 0.000 1.209 670 C CA -0.655 58.345 59.018 -0.031 0.000 2.050 670 C CB 0.468 28.185 27.740 -0.039 0.000 2.359 670 C HN 0.677 nan 8.230 nan 0.000 0.527 671 I N 1.551 122.062 120.570 -0.098 0.000 2.686 671 I HA 0.554 4.731 4.170 0.010 0.000 0.295 671 I C -0.041 175.980 176.117 -0.161 0.000 1.114 671 I CA -0.521 60.711 61.300 -0.114 0.000 1.038 671 I CB 1.388 39.318 38.000 -0.117 0.000 1.238 671 I HN 0.624 nan 8.210 nan 0.000 0.420 672 I N 5.940 126.424 120.570 -0.144 0.000 2.315 672 I HA 0.464 4.640 4.170 0.010 0.000 0.291 672 I C -1.693 174.312 176.117 -0.187 0.000 1.006 672 I CA -1.954 59.250 61.300 -0.160 0.000 1.265 672 I CB 0.394 38.349 38.000 -0.075 0.000 1.387 672 I HN 0.501 nan 8.210 nan 0.000 0.475 673 P HA -0.070 nan 4.420 nan 0.000 0.214 673 P C -0.032 177.160 177.300 -0.180 0.000 1.162 673 P CA 1.569 64.458 63.100 -0.352 0.000 0.874 673 P CB 0.353 31.654 31.700 -0.666 0.000 0.784 674 N N -1.569 117.095 118.700 -0.060 0.000 2.329 674 N HA 0.105 4.851 4.740 0.010 0.000 0.282 674 N C 0.352 175.884 175.510 0.037 0.000 1.198 674 N CA -0.562 52.481 53.050 -0.012 0.000 0.790 674 N CB 1.516 40.002 38.487 -0.001 0.000 1.579 674 N HN -0.245 nan 8.380 nan 0.000 0.475 675 E N 0.895 121.093 120.200 -0.003 0.000 2.274 675 E HA -0.038 4.319 4.350 0.010 0.000 0.194 675 E C 1.900 178.484 176.600 -0.026 0.000 0.996 675 E CA 0.855 57.248 56.400 -0.011 0.000 0.840 675 E CB -0.333 29.348 29.700 -0.031 0.000 0.772 675 E HN 0.654 nan 8.360 nan 0.000 0.491 676 L N 0.668 121.876 121.223 -0.025 0.000 2.465 676 L HA 0.084 4.430 4.340 0.010 0.000 0.224 676 L C 2.027 178.837 176.870 -0.100 0.000 1.145 676 L CA 2.042 56.853 54.840 -0.048 0.000 0.834 676 L CB -2.035 40.008 42.059 -0.027 0.000 0.944 676 L HN 0.318 nan 8.230 nan 0.000 0.451 677 K N -0.412 119.930 120.400 -0.097 0.000 3.193 677 K HA -0.242 4.084 4.320 0.010 0.000 0.294 677 K C 0.330 176.682 176.600 -0.414 0.000 1.185 677 K CA 1.764 57.795 56.287 -0.427 0.000 0.866 677 K CB -2.905 29.220 32.500 -0.626 0.000 1.227 677 K HN 1.675 nan 8.250 nan 0.000 0.467 678 Q N 0.050 119.811 119.800 -0.065 0.000 2.290 678 Q HA 0.655 5.001 4.340 0.010 0.000 0.259 678 Q C -2.198 173.905 176.000 0.172 0.000 0.941 678 Q CA -2.244 53.565 55.803 0.010 0.000 0.912 678 Q CB 2.172 30.910 28.738 -0.001 0.000 1.244 678 Q HN 0.317 nan 8.270 nan 0.000 0.441 679 P HA 0.121 nan 4.420 nan 0.000 0.271 679 P C 0.365 177.800 177.300 0.225 0.000 1.218 679 P CA 0.812 64.091 63.100 0.298 0.000 0.780 679 P CB 1.093 32.909 31.700 0.194 0.000 0.901 680 G N 0.767 109.792 108.800 0.375 0.000 2.238 680 G HA2 -0.200 3.766 3.960 0.010 0.000 0.217 680 G HA3 -0.200 3.766 3.960 0.010 0.000 0.217 680 G C -0.401 174.734 174.900 0.391 0.000 0.996 680 G CA 0.060 45.319 45.100 0.264 0.000 0.632 680 G HN 0.641 nan 8.290 nan 0.000 0.503 681 L N 1.458 122.868 121.223 0.311 0.000 2.352 681 L HA 0.859 5.205 4.340 0.010 0.000 0.269 681 L C -0.168 176.675 176.870 -0.044 0.000 1.034 681 L CA -1.087 53.825 54.840 0.120 0.000 0.806 681 L CB 2.174 44.271 42.059 0.064 0.000 1.244 681 L HN 0.287 nan 8.230 nan 0.000 0.447 682 V N 2.707 122.585 119.914 -0.060 0.000 2.482 682 V HA 0.328 4.454 4.120 0.010 0.000 0.295 682 V C -1.074 174.964 176.094 -0.093 0.000 1.026 682 V CA -0.754 61.456 62.300 -0.150 0.000 0.856 682 V CB 1.384 33.134 31.823 -0.121 0.000 1.001 682 V HN 0.717 nan 8.190 nan 0.000 0.424 683 D N 3.740 124.073 120.400 -0.110 0.000 2.422 683 D HA 0.506 5.152 4.640 0.010 0.000 0.227 683 D C 1.097 177.344 176.300 -0.088 0.000 1.190 683 D CA 0.537 54.488 54.000 -0.081 0.000 0.905 683 D CB 1.595 42.349 40.800 -0.077 0.000 1.034 683 D HN 0.640 nan 8.370 nan 0.000 0.507 684 A N 4.612 127.387 122.820 -0.075 0.000 1.941 684 A HA -0.337 3.989 4.320 0.010 0.000 0.220 684 A C 1.826 179.347 177.584 -0.105 0.000 1.407 684 A CA 2.158 54.144 52.037 -0.085 0.000 0.766 684 A CB -0.874 18.078 19.000 -0.081 0.000 0.838 684 A HN 0.697 nan 8.150 nan 0.000 0.482 685 E N -0.834 119.300 120.200 -0.110 0.000 2.233 685 E HA -0.225 4.131 4.350 0.010 0.000 0.199 685 E C 1.781 178.322 176.600 -0.098 0.000 1.004 685 E CA 1.166 57.497 56.400 -0.114 0.000 0.819 685 E CB -0.352 29.286 29.700 -0.104 0.000 0.738 685 E HN 0.519 nan 8.360 nan 0.000 0.478 686 L N 0.739 121.907 121.223 -0.092 0.000 1.921 686 L HA -0.207 4.139 4.340 0.010 0.000 0.219 686 L C 2.420 179.233 176.870 -0.094 0.000 1.081 686 L CA 1.992 56.779 54.840 -0.089 0.000 0.771 686 L CB -1.094 40.910 42.059 -0.092 0.000 0.888 686 L HN 0.151 nan 8.230 nan 0.000 0.433 687 V N -1.836 118.014 119.914 -0.106 0.000 2.233 687 V HA -0.370 3.756 4.120 0.010 0.000 0.252 687 V C 2.534 178.574 176.094 -0.090 0.000 1.063 687 V CA 2.177 64.413 62.300 -0.107 0.000 1.032 687 V CB -1.563 30.189 31.823 -0.119 0.000 0.645 687 V HN 0.531 nan 8.190 nan 0.000 0.446 688 L N 0.844 122.014 121.223 -0.088 0.000 2.030 688 L HA -0.344 4.002 4.340 0.010 0.000 0.222 688 L C 3.076 179.903 176.870 -0.071 0.000 1.082 688 L CA 3.431 58.226 54.840 -0.076 0.000 0.785 688 L CB -2.160 39.845 42.059 -0.089 0.000 0.895 688 L HN 0.807 nan 8.230 nan 0.000 0.439 689 H N -0.597 118.428 119.070 -0.075 0.000 2.267 689 H HA -0.186 4.376 4.556 0.010 0.000 0.297 689 H C 2.116 177.405 175.328 -0.064 0.000 1.080 689 H CA 1.817 57.825 56.048 -0.068 0.000 1.278 689 H CB -0.945 28.776 29.762 -0.068 0.000 1.365 689 H HN 0.514 nan 8.280 nan 0.000 0.489 690 Q N 0.209 119.969 119.800 -0.067 0.000 2.308 690 Q HA -0.083 4.263 4.340 0.010 0.000 0.209 690 Q C 2.478 178.440 176.000 -0.064 0.000 0.985 690 Q CA 1.328 57.094 55.803 -0.061 0.000 0.881 690 Q CB -0.186 28.512 28.738 -0.066 0.000 0.917 690 Q HN 0.728 nan 8.270 nan 0.000 0.443 691 L N -0.255 120.926 121.223 -0.070 0.000 2.095 691 L HA -0.105 4.241 4.340 0.010 0.000 0.204 691 L C 2.455 179.277 176.870 -0.080 0.000 1.080 691 L CA 1.046 55.839 54.840 -0.078 0.000 0.759 691 L CB -0.793 41.220 42.059 -0.076 0.000 0.914 691 L HN 0.224 nan 8.230 nan 0.000 0.439 692 Q N -0.543 119.216 119.800 -0.068 0.000 2.362 692 Q HA -0.043 4.304 4.340 0.010 0.000 0.210 692 Q C 1.388 177.348 176.000 -0.067 0.000 0.924 692 Q CA 1.084 56.849 55.803 -0.063 0.000 0.982 692 Q CB -1.233 27.473 28.738 -0.053 0.000 1.028 692 Q HN 0.582 nan 8.270 nan 0.000 0.482 693 C N -1.645 117.611 119.300 -0.074 0.000 4.027 693 C HA 0.267 4.733 4.460 0.010 0.000 0.351 693 C C 1.208 176.137 174.990 -0.102 0.000 1.634 693 C CA 0.722 59.695 59.018 -0.074 0.000 1.897 693 C CB -0.202 27.504 27.740 -0.056 0.000 2.949 693 C HN 0.918 nan 8.230 nan 0.000 0.684 694 N N 0.109 118.742 118.700 -0.111 0.000 3.419 694 N HA 0.401 5.147 4.740 0.010 0.000 0.224 694 N C 0.597 175.999 175.510 -0.179 0.000 1.114 694 N CA 0.657 53.624 53.050 -0.139 0.000 1.144 694 N CB 0.159 38.607 38.487 -0.066 0.000 1.459 694 N HN 0.171 nan 8.380 nan 0.000 0.632 695 G N -0.158 108.436 108.800 -0.343 0.000 2.975 695 G HA2 0.462 4.428 3.960 0.010 0.000 0.299 695 G HA3 0.462 4.428 3.960 0.010 0.000 0.299 695 G C -0.998 173.678 174.900 -0.373 0.000 1.587 695 G CA -0.291 44.480 45.100 -0.549 0.000 1.052 695 G HN 0.231 nan 8.290 nan 0.000 0.545 696 V N 3.624 123.420 119.914 -0.197 0.000 3.451 696 V HA 0.228 4.355 4.120 0.010 0.000 0.288 696 V C 1.085 177.131 176.094 -0.080 0.000 1.502 696 V CA 0.164 62.388 62.300 -0.127 0.000 1.026 696 V CB -0.416 31.352 31.823 -0.092 0.000 0.840 696 V HN 0.646 nan 8.190 nan 0.000 0.437 705 K N -0.659 119.625 120.400 -0.193 0.000 2.329 705 K HA 0.512 4.838 4.320 0.010 0.000 0.198 705 K C -0.060 176.384 176.600 -0.261 0.000 1.085 705 K CA 1.081 57.197 56.287 -0.284 0.000 0.961 705 K CB 1.245 33.449 32.500 -0.492 0.000 0.971 705 K HN 0.376 nan 8.250 nan 0.000 0.502 706 G N 0.304 108.930 108.800 -0.290 0.000 3.231 706 G HA2 0.100 4.066 3.960 0.010 0.000 0.232 706 G HA3 0.100 4.066 3.960 0.010 0.000 0.232 706 G C -1.004 173.826 174.900 -0.117 0.000 2.928 706 G CA -0.718 44.287 45.100 -0.158 0.000 0.879 706 G HN -0.000 nan 8.290 nan 0.000 0.424 707 F N -0.140 119.764 119.950 -0.075 0.000 2.631 707 F HA 0.798 5.331 4.527 0.010 0.000 0.350 707 F C -1.756 173.958 175.800 -0.143 0.000 1.080 707 F CA -2.598 55.337 58.000 -0.109 0.000 1.026 707 F CB 0.921 39.890 39.000 -0.052 0.000 1.347 707 F HN -0.035 nan 8.300 nan 0.000 0.501 708 P HA 0.273 nan 4.420 nan 0.000 0.286 708 P C -1.231 176.115 177.300 0.077 0.000 1.293 708 P CA -0.380 62.656 63.100 -0.107 0.000 0.770 708 P CB 0.726 32.252 31.700 -0.291 0.000 1.206 709 S N -1.111 114.654 115.700 0.108 0.000 2.548 709 S HA 0.635 5.111 4.470 0.010 0.000 0.286 709 S C -1.136 173.401 174.600 -0.106 0.000 1.098 709 S CA -0.858 57.369 58.200 0.045 0.000 0.930 709 S CB 0.631 63.898 63.200 0.112 0.000 1.070 709 S HN 0.332 nan 8.310 nan 0.000 0.480 710 R N 2.782 123.103 120.500 -0.298 0.000 2.740 710 R HA 0.745 5.092 4.340 0.010 0.000 0.282 710 R C -1.445 174.692 176.300 -0.271 0.000 0.969 710 R CA -1.005 54.721 56.100 -0.623 0.000 0.918 710 R CB 1.458 31.085 30.300 -1.121 0.000 1.175 710 R HN 0.555 nan 8.270 nan 0.000 0.464 711 L N 3.140 124.214 121.223 -0.248 0.000 2.505 711 L HA 0.463 4.810 4.340 0.010 0.000 0.266 711 L C -0.607 176.172 176.870 -0.152 0.000 0.954 711 L CA -0.986 53.808 54.840 -0.077 0.000 0.852 711 L CB 1.974 44.108 42.059 0.126 0.000 1.282 711 L HN 0.641 nan 8.230 nan 0.000 0.403 712 I N 4.146 124.680 120.570 -0.062 0.000 2.919 712 I HA -0.204 3.973 4.170 0.010 0.000 0.303 712 I C 0.521 176.639 176.117 0.003 0.000 1.221 712 I CA 0.520 61.795 61.300 -0.041 0.000 1.444 712 I CB 0.228 38.257 38.000 0.049 0.000 1.331 712 I HN 0.692 nan 8.210 nan 0.000 0.572 713 Y N 3.266 123.595 120.300 0.048 0.000 2.256 713 Y HA -0.256 4.302 4.550 0.013 0.000 0.288 713 Y C 2.657 178.644 175.900 0.146 0.000 1.155 713 Y CA 1.729 59.868 58.100 0.065 0.000 1.203 713 Y CB -0.448 38.028 38.460 0.025 0.000 0.980 713 Y HN 0.724 nan 8.280 nan 0.000 0.530 714 S N 0.111 115.968 115.700 0.261 0.000 2.343 714 S HA -0.245 4.231 4.470 0.010 0.000 0.219 714 S C 2.386 177.105 174.600 0.199 0.000 1.033 714 S CA 1.768 60.086 58.200 0.197 0.000 1.014 714 S CB -0.424 62.861 63.200 0.141 0.000 0.915 714 S HN 0.554 nan 8.310 nan 0.000 0.435 715 E N 0.263 120.579 120.200 0.192 0.000 2.150 715 E HA -0.084 4.273 4.350 0.010 0.000 0.193 715 E C 1.731 178.477 176.600 0.244 0.000 0.985 715 E CA 1.314 57.825 56.400 0.186 0.000 0.814 715 E CB -1.234 28.565 29.700 0.165 0.000 0.752 715 E HN 0.700 nan 8.360 nan 0.000 0.466 716 F N 1.824 121.849 119.950 0.124 0.000 2.236 716 F HA -0.112 4.420 4.527 0.008 0.000 0.302 716 F C 2.750 178.661 175.800 0.185 0.000 1.073 716 F CA 2.289 60.376 58.000 0.145 0.000 1.336 716 F CB -0.613 38.463 39.000 0.127 0.000 1.040 716 F HN 0.360 nan 8.300 nan 0.000 0.507 717 K N 0.676 121.222 120.400 0.244 0.000 1.991 717 K HA -0.260 4.066 4.320 0.010 0.000 0.212 717 K C 1.869 178.500 176.600 0.052 0.000 1.049 717 K CA 1.970 58.341 56.287 0.140 0.000 0.932 717 K CB -1.531 31.048 32.500 0.132 0.000 0.717 717 K HN 0.707 nan 8.250 nan 0.000 0.441 718 Q N -0.861 118.969 119.800 0.048 0.000 2.224 718 Q HA -0.050 4.296 4.340 0.010 0.000 0.203 718 Q C 1.980 177.945 176.000 -0.058 0.000 0.970 718 Q CA 1.356 57.159 55.803 0.001 0.000 0.865 718 Q CB 0.117 28.864 28.738 0.014 0.000 0.922 718 Q HN 0.506 nan 8.270 nan 0.000 0.445 719 R N -1.410 119.050 120.500 -0.068 0.000 2.468 719 R HA 0.180 4.526 4.340 0.010 0.000 0.280 719 R C -0.327 175.637 176.300 -0.560 0.000 0.963 719 R CA 0.025 55.983 56.100 -0.237 0.000 1.083 719 R CB 0.653 30.853 30.300 -0.167 0.000 1.200 719 R HN 0.321 nan 8.270 nan 0.000 0.541 720 Y N -2.481 117.634 120.300 -0.309 0.000 2.861 720 Y HA -0.011 4.543 4.550 0.006 0.000 0.284 720 Y C 1.872 177.624 175.900 -0.246 0.000 1.006 720 Y CA 0.025 57.890 58.100 -0.393 0.000 1.245 720 Y CB 0.621 38.549 38.460 -0.887 0.000 1.415 720 Y HN 0.012 nan 8.280 nan 0.000 0.586 721 S N 0.539 116.212 115.700 -0.046 0.000 2.368 721 S HA -0.208 4.268 4.470 0.010 0.000 0.224 721 S C 1.879 176.464 174.600 -0.025 0.000 1.029 721 S CA 1.325 59.521 58.200 -0.007 0.000 0.988 721 S CB -0.656 62.544 63.200 0.001 0.000 0.838 721 S HN 0.520 nan 8.310 nan 0.000 0.462 722 I N 0.930 121.461 120.570 -0.064 0.000 2.623 722 I HA -0.109 4.067 4.170 0.010 0.000 0.261 722 I C 1.933 178.014 176.117 -0.060 0.000 1.204 722 I CA 1.087 62.345 61.300 -0.070 0.000 1.444 722 I CB -0.105 37.833 38.000 -0.104 0.000 1.094 722 I HN 0.329 nan 8.210 nan 0.000 0.451 723 L N 0.669 121.859 121.223 -0.054 0.000 2.313 723 L HA 0.043 4.389 4.340 0.010 0.000 0.214 723 L C 1.248 178.116 176.870 -0.003 0.000 1.119 723 L CA 0.743 55.565 54.840 -0.030 0.000 0.809 723 L CB -0.185 41.868 42.059 -0.010 0.000 0.933 723 L HN 0.335 nan 8.230 nan 0.000 0.449 724 A N -0.307 122.518 122.820 0.008 0.000 3.297 724 A HA 0.349 4.675 4.320 0.010 0.000 0.304 724 A C -1.796 175.794 177.584 0.010 0.000 0.963 724 A CA -0.698 51.348 52.037 0.014 0.000 0.935 724 A CB -0.176 18.842 19.000 0.030 0.000 1.093 724 A HN -0.039 nan 8.150 nan 0.000 0.480 725 P HA -0.106 nan 4.420 nan 0.000 0.249 725 P C -0.162 177.140 177.300 0.003 0.000 1.227 725 P CA 0.659 63.757 63.100 -0.004 0.000 0.753 725 P CB -0.493 31.197 31.700 -0.017 0.000 0.966 735 G N -1.299 107.515 108.800 0.023 0.000 3.111 735 G HA2 0.428 4.394 3.960 0.010 0.000 0.158 735 G HA3 0.428 4.394 3.960 0.010 0.000 0.158 735 G C 0.954 175.832 174.900 -0.038 0.000 1.161 735 G CA 1.100 46.221 45.100 0.035 0.000 1.025 735 G HN 0.819 nan 8.290 nan 0.000 0.619 736 K N -0.122 120.134 120.400 -0.239 0.000 2.148 736 K HA -0.273 4.053 4.320 0.010 0.000 0.213 736 K C 2.492 178.898 176.600 -0.323 0.000 1.050 736 K CA 3.145 59.008 56.287 -0.706 0.000 0.932 736 K CB -0.747 31.078 32.500 -1.125 0.000 0.717 736 K HN 0.527 nan 8.250 nan 0.000 0.462 737 T N -1.173 113.271 114.554 -0.184 0.000 2.699 737 T HA -0.174 4.182 4.350 0.010 0.000 0.268 737 T C 1.985 176.668 174.700 -0.029 0.000 1.036 737 T CA 1.808 63.853 62.100 -0.092 0.000 1.147 737 T CB -0.914 67.919 68.868 -0.058 0.000 0.862 737 T HN 0.071 nan 8.240 nan 0.000 0.446 738 V N 2.090 122.009 119.914 0.009 0.000 2.214 738 V HA -0.235 3.891 4.120 0.010 0.000 0.247 738 V C 3.107 179.265 176.094 0.107 0.000 1.051 738 V CA 2.478 64.817 62.300 0.064 0.000 1.003 738 V CB -1.233 30.650 31.823 0.100 0.000 0.635 738 V HN 0.576 nan 8.190 nan 0.000 0.447 739 S N -1.024 114.786 115.700 0.184 0.000 2.370 739 S HA -0.279 4.198 4.470 0.010 0.000 0.226 739 S C 1.915 176.610 174.600 0.159 0.000 1.033 739 S CA 1.633 60.003 58.200 0.283 0.000 1.011 739 S CB -0.489 62.996 63.200 0.475 0.000 0.852 739 S HN 0.701 nan 8.310 nan 0.000 0.457 740 E N 1.283 121.522 120.200 0.065 0.000 2.257 740 E HA -0.390 3.966 4.350 0.010 0.000 0.229 740 E C 2.218 178.843 176.600 0.041 0.000 1.089 740 E CA 2.343 58.756 56.400 0.022 0.000 0.947 740 E CB -0.317 29.360 29.700 -0.038 0.000 0.808 740 E HN 0.599 nan 8.360 nan 0.000 0.471 741 K N 0.551 120.977 120.400 0.044 0.000 2.044 741 K HA -0.019 4.307 4.320 0.010 0.000 0.204 741 K C 2.036 178.665 176.600 0.048 0.000 1.049 741 K CA 1.213 57.523 56.287 0.038 0.000 0.945 741 K CB -1.031 31.487 32.500 0.031 0.000 0.724 741 K HN 0.286 nan 8.250 nan 0.000 0.440 742 I N 1.208 121.824 120.570 0.077 0.000 2.195 742 I HA -0.436 3.740 4.170 0.010 0.000 0.232 742 I C 3.030 179.183 176.117 0.061 0.000 0.986 742 I CA 2.544 63.896 61.300 0.086 0.000 1.283 742 I CB -1.326 36.762 38.000 0.147 0.000 0.990 742 I HN 0.382 nan 8.210 nan 0.000 0.390 743 L N 0.599 121.862 121.223 0.066 0.000 1.990 743 L HA -0.209 4.137 4.340 0.010 0.000 0.213 743 L C 2.922 179.758 176.870 -0.057 0.000 1.072 743 L CA 3.040 57.867 54.840 -0.021 0.000 0.755 743 L CB -2.116 39.870 42.059 -0.121 0.000 0.889 743 L HN 0.488 nan 8.230 nan 0.000 0.432 744 A N -0.198 122.599 122.820 -0.038 0.000 1.903 744 A HA -0.068 4.258 4.320 0.010 0.000 0.219 744 A C 2.791 180.377 177.584 0.003 0.000 1.191 744 A CA 2.515 54.546 52.037 -0.010 0.000 0.638 744 A CB -1.511 17.499 19.000 0.017 0.000 0.823 744 A HN 1.160 nan 8.150 nan 0.000 0.451 745 G N -0.894 107.913 108.800 0.011 0.000 2.430 745 G HA2 0.038 4.004 3.960 0.010 0.000 0.216 745 G HA3 0.038 4.004 3.960 0.010 0.000 0.216 745 G C 1.276 176.184 174.900 0.012 0.000 1.146 745 G CA 0.594 45.703 45.100 0.014 0.000 0.793 745 G HN 0.437 nan 8.290 nan 0.000 0.537 746 L N 0.183 121.413 121.223 0.011 0.000 2.700 746 L HA 0.037 4.383 4.340 0.010 0.000 0.240 746 L C 1.249 178.124 176.870 0.007 0.000 1.162 746 L CA 0.239 55.086 54.840 0.012 0.000 0.874 746 L CB -0.450 41.618 42.059 0.017 0.000 1.001 746 L HN 0.366 nan 8.230 nan 0.000 0.447 747 Q N -1.252 118.551 119.800 0.006 0.000 2.450 747 Q HA -0.263 4.083 4.340 0.010 0.000 0.255 747 Q C 0.495 176.503 176.000 0.013 0.000 1.003 747 Q CA 0.489 56.299 55.803 0.012 0.000 1.097 747 Q CB -1.249 27.499 28.738 0.017 0.000 1.544 747 Q HN 0.448 nan 8.270 nan 0.000 0.531 748 M N 2.042 121.634 119.600 -0.014 0.000 2.487 748 M HA -0.075 4.411 4.480 0.010 0.000 0.398 748 M C -0.080 176.242 176.300 0.036 0.000 1.685 748 M CA 0.783 56.068 55.300 -0.025 0.000 0.988 748 M CB 0.253 32.756 32.600 -0.162 0.000 2.129 748 M HN 0.122 nan 8.290 nan 0.000 0.485 749 D N 8.189 128.632 120.400 0.071 0.000 2.659 749 D HA -0.059 4.588 4.640 0.010 0.000 0.264 749 D C -1.635 174.776 176.300 0.185 0.000 1.329 749 D CA -0.511 53.550 54.000 0.102 0.000 0.963 749 D CB 0.657 41.515 40.800 0.097 0.000 1.136 749 D HN 0.488 nan 8.370 nan 0.000 0.554 750 P HA -0.057 nan 4.420 nan 0.000 0.249 750 P C 0.163 177.542 177.300 0.131 0.000 1.227 750 P CA 0.372 63.688 63.100 0.359 0.000 0.753 750 P CB 0.195 32.009 31.700 0.190 0.000 0.966 751 A N -1.174 121.715 122.820 0.114 0.000 2.324 751 A HA 0.295 4.622 4.320 0.010 0.000 0.220 751 A C 1.725 179.368 177.584 0.097 0.000 1.209 751 A CA 0.471 52.499 52.037 -0.014 0.000 0.918 751 A CB -0.365 18.623 19.000 -0.020 0.000 0.959 751 A HN 0.192 nan 8.150 nan 0.000 0.507 752 E N -0.406 119.957 120.200 0.271 0.000 2.368 752 E HA 0.470 4.826 4.350 0.010 0.000 0.188 752 E C -0.151 176.769 176.600 0.532 0.000 1.061 752 E CA 0.096 56.733 56.400 0.396 0.000 0.933 752 E CB -0.842 29.067 29.700 0.349 0.000 1.091 752 E HN 1.072 nan 8.360 nan 0.000 0.458 753 Y N -3.274 117.038 120.300 0.019 0.000 2.702 753 Y HA 0.746 5.302 4.550 0.009 0.000 0.336 753 Y C -1.434 174.170 175.900 -0.493 0.000 1.203 753 Y CA -2.360 55.625 58.100 -0.192 0.000 1.072 753 Y CB 0.951 39.343 38.460 -0.114 0.000 1.327 753 Y HN -0.167 nan 8.280 nan 0.000 0.456 754 R N 1.932 121.955 120.500 -0.795 0.000 2.549 754 R HA 0.632 4.978 4.340 0.010 0.000 0.291 754 R C -1.052 174.952 176.300 -0.493 0.000 1.164 754 R CA -0.439 55.153 56.100 -0.848 0.000 0.973 754 R CB 1.075 30.706 30.300 -1.114 0.000 1.210 754 R HN 1.190 nan 8.270 nan 0.000 0.422 755 L N 1.532 122.570 121.223 -0.308 0.000 2.410 755 L HA 0.760 5.106 4.340 0.010 0.000 0.273 755 L C 0.940 177.751 176.870 -0.098 0.000 1.144 755 L CA 0.195 54.988 54.840 -0.079 0.000 0.863 755 L CB 0.238 42.330 42.059 0.055 0.000 1.140 755 L HN 0.702 nan 8.230 nan 0.000 0.463 756 G N 0.789 109.587 108.800 -0.004 0.000 3.016 756 G HA2 0.538 4.504 3.960 0.010 0.000 0.270 756 G HA3 0.538 4.504 3.960 0.010 0.000 0.270 756 G C 0.948 175.940 174.900 0.154 0.000 1.352 756 G CA 0.739 45.823 45.100 -0.026 0.000 1.060 756 G HN 1.325 nan 8.290 nan 0.000 0.538 757 T N -4.022 110.588 114.554 0.094 0.000 3.051 757 T HA 0.052 4.408 4.350 0.010 0.000 0.255 757 T C 1.903 176.706 174.700 0.172 0.000 1.085 757 T CA 1.730 63.906 62.100 0.127 0.000 1.109 757 T CB -0.036 68.863 68.868 0.052 0.000 0.921 757 T HN 0.278 nan 8.240 nan 0.000 0.488 758 T N 1.001 115.650 114.554 0.158 0.000 2.901 758 T HA 0.454 4.810 4.350 0.010 0.000 0.252 758 T C 1.057 175.828 174.700 0.119 0.000 1.035 758 T CA 1.315 63.498 62.100 0.138 0.000 1.142 758 T CB -0.101 68.849 68.868 0.137 0.000 0.869 758 T HN 0.833 nan 8.240 nan 0.000 0.442 759 K N -0.049 120.370 120.400 0.033 0.000 2.210 759 K HA 0.801 5.127 4.320 0.010 0.000 0.256 759 K C -1.561 174.694 176.600 -0.575 0.000 0.854 759 K CA -0.253 55.795 56.287 -0.398 0.000 0.706 759 K CB 0.631 32.955 32.500 -0.293 0.000 1.474 759 K HN 0.060 nan 8.250 nan 0.000 0.371 760 V N 1.059 120.504 119.914 -0.783 0.000 2.680 760 V HA 0.890 5.016 4.120 0.010 0.000 0.309 760 V C -1.596 174.259 176.094 -0.399 0.000 1.052 760 V CA -0.883 61.078 62.300 -0.565 0.000 0.908 760 V CB 1.107 32.379 31.823 -0.919 0.000 1.001 760 V HN 0.653 nan 8.190 nan 0.000 0.431 761 F N 5.575 125.169 119.950 -0.593 0.000 2.492 761 F HA 0.762 5.298 4.527 0.015 0.000 0.327 761 F C -0.328 175.147 175.800 -0.542 0.000 1.079 761 F CA -1.011 56.781 58.000 -0.346 0.000 0.967 761 F CB 1.731 40.745 39.000 0.024 0.000 1.169 761 F HN 0.331 nan 8.300 nan 0.000 0.472 762 F N 0.416 120.666 119.950 0.500 0.000 2.593 762 F HA 0.640 5.174 4.527 0.012 0.000 0.320 762 F C 0.854 176.943 175.800 0.481 0.000 1.060 762 F CA -0.886 57.403 58.000 0.482 0.000 0.940 762 F CB 0.918 40.048 39.000 0.217 0.000 1.268 762 F HN 0.483 nan 8.300 nan 0.000 0.475 763 K N 1.234 121.993 120.400 0.599 0.000 2.027 763 K HA 0.658 4.984 4.320 0.010 0.000 0.215 763 K C 0.966 177.598 176.600 0.055 0.000 1.027 763 K CA 0.984 57.380 56.287 0.180 0.000 0.967 763 K CB -0.999 31.707 32.500 0.344 0.000 0.867 763 K HN 0.816 nan 8.250 nan 0.000 0.449 764 A N -0.196 122.692 122.820 0.114 0.000 2.257 764 A HA 0.550 4.876 4.320 0.010 0.000 0.290 764 A C 1.212 178.849 177.584 0.089 0.000 1.201 764 A CA -0.005 52.075 52.037 0.072 0.000 0.863 764 A CB -0.078 18.964 19.000 0.069 0.000 1.256 764 A HN 1.114 nan 8.150 nan 0.000 0.506 765 G N -0.907 107.929 108.800 0.059 0.000 2.576 765 G HA2 0.347 4.313 3.960 0.010 0.000 0.291 765 G HA3 0.347 4.313 3.960 0.010 0.000 0.291 765 G C 0.260 175.194 174.900 0.057 0.000 0.782 765 G CA 0.431 45.563 45.100 0.053 0.000 1.886 765 G HN 0.630 nan 8.290 nan 0.000 0.493 766 V N 3.473 123.428 119.914 0.069 0.000 3.090 766 V HA 0.021 4.148 4.120 0.010 0.000 0.237 766 V C 2.384 178.454 176.094 -0.039 0.000 1.209 766 V CA 0.375 62.702 62.300 0.044 0.000 1.209 766 V CB -0.315 31.570 31.823 0.103 0.000 0.971 766 V HN 0.567 nan 8.190 nan 0.000 0.477 767 L N 2.112 123.291 121.223 -0.072 0.000 2.129 767 L HA -0.074 4.272 4.340 0.010 0.000 0.212 767 L C 2.137 179.021 176.870 0.023 0.000 1.087 767 L CA 2.607 57.371 54.840 -0.126 0.000 0.757 767 L CB -1.002 41.038 42.059 -0.033 0.000 0.896 767 L HN 0.291 nan 8.230 nan 0.000 0.434 768 G N -0.857 107.958 108.800 0.024 0.000 2.404 768 G HA2 -0.318 3.648 3.960 0.010 0.000 0.215 768 G HA3 -0.318 3.648 3.960 0.010 0.000 0.215 768 G C 1.536 176.446 174.900 0.018 0.000 1.174 768 G CA 0.612 45.727 45.100 0.026 0.000 0.780 768 G HN 0.482 nan 8.290 nan 0.000 0.537 769 N N 0.512 119.222 118.700 0.017 0.000 2.192 769 N HA -0.074 4.672 4.740 0.010 0.000 0.188 769 N C 2.244 177.763 175.510 0.014 0.000 1.013 769 N CA 0.977 54.036 53.050 0.016 0.000 0.863 769 N CB -0.174 38.329 38.487 0.026 0.000 0.990 769 N HN 0.367 nan 8.380 nan 0.000 0.430 770 L N 0.470 121.708 121.223 0.024 0.000 2.049 770 L HA -0.073 4.273 4.340 0.010 0.000 0.203 770 L C 2.388 179.278 176.870 0.034 0.000 1.074 770 L CA 0.829 55.717 54.840 0.079 0.000 0.749 770 L CB -0.571 41.614 42.059 0.212 0.000 0.907 770 L HN 0.064 nan 8.230 nan 0.000 0.439 771 E N 0.671 120.884 120.200 0.022 0.000 2.169 771 E HA -0.329 4.027 4.350 0.010 0.000 0.202 771 E C 1.934 178.472 176.600 -0.104 0.000 1.016 771 E CA 1.903 58.242 56.400 -0.101 0.000 0.817 771 E CB -0.041 29.632 29.700 -0.044 0.000 0.736 771 E HN 0.431 nan 8.360 nan 0.000 0.462 772 E N -0.789 119.380 120.200 -0.052 0.000 2.047 772 E HA -0.142 4.214 4.350 0.010 0.000 0.191 772 E C 1.975 178.543 176.600 -0.054 0.000 0.987 772 E CA 1.180 57.552 56.400 -0.046 0.000 0.799 772 E CB -0.155 29.531 29.700 -0.023 0.000 0.752 772 E HN 0.327 nan 8.360 nan 0.000 0.449 773 M N 0.363 119.937 119.600 -0.043 0.000 2.530 773 M HA -0.168 4.318 4.480 0.010 0.000 0.261 773 M C 2.300 178.554 176.300 -0.078 0.000 1.067 773 M CA 1.037 56.312 55.300 -0.041 0.000 1.071 773 M CB -0.108 32.483 32.600 -0.015 0.000 1.405 773 M HN 0.092 nan 8.290 nan 0.000 0.478 774 R N 0.488 120.911 120.500 -0.129 0.000 2.039 774 R HA -0.064 4.282 4.340 0.010 0.000 0.218 774 R C 1.495 177.713 176.300 -0.136 0.000 1.220 774 R CA 0.876 56.867 56.100 -0.182 0.000 0.993 774 R CB -0.222 29.880 30.300 -0.330 0.000 0.881 774 R HN 0.200 nan 8.270 nan 0.000 0.450 775 D N 0.577 120.899 120.400 -0.129 0.000 2.218 775 D HA -0.253 4.393 4.640 0.010 0.000 0.194 775 D C 1.799 178.057 176.300 -0.070 0.000 1.007 775 D CA 2.245 56.188 54.000 -0.095 0.000 0.879 775 D CB 0.134 40.887 40.800 -0.078 0.000 0.918 775 D HN 0.604 nan 8.370 nan 0.000 0.449 776 E N 1.365 121.529 120.200 -0.061 0.000 2.014 776 E HA -0.099 4.257 4.350 0.010 0.000 0.190 776 E C 2.069 178.644 176.600 -0.042 0.000 0.980 776 E CA 0.585 56.959 56.400 -0.043 0.000 0.807 776 E CB -0.544 29.136 29.700 -0.033 0.000 0.770 776 E HN -0.018 nan 8.360 nan 0.000 0.451 777 R N 0.028 120.499 120.500 -0.048 0.000 2.094 777 R HA -0.108 4.238 4.340 0.010 0.000 0.239 777 R C 2.616 178.887 176.300 -0.048 0.000 1.137 777 R CA 1.838 57.912 56.100 -0.043 0.000 0.943 777 R CB -1.107 29.164 30.300 -0.048 0.000 0.850 777 R HN 0.531 nan 8.270 nan 0.000 0.433 778 L N 0.465 121.646 121.223 -0.070 0.000 2.103 778 L HA -0.244 4.103 4.340 0.010 0.000 0.215 778 L C 2.435 179.271 176.870 -0.058 0.000 1.080 778 L CA 2.277 57.072 54.840 -0.076 0.000 0.764 778 L CB -0.451 41.548 42.059 -0.099 0.000 0.890 778 L HN 0.151 nan 8.230 nan 0.000 0.435 779 S N -0.576 115.095 115.700 -0.048 0.000 2.368 779 S HA -0.234 4.242 4.470 0.010 0.000 0.224 779 S C 2.052 176.643 174.600 -0.014 0.000 1.029 779 S CA 1.519 59.700 58.200 -0.032 0.000 0.988 779 S CB -0.229 62.954 63.200 -0.028 0.000 0.838 779 S HN 0.482 nan 8.310 nan 0.000 0.462 780 K N 0.113 120.506 120.400 -0.013 0.000 2.211 780 K HA -0.124 4.202 4.320 0.010 0.000 0.204 780 K C 1.701 178.308 176.600 0.012 0.000 1.047 780 K CA 1.286 57.574 56.287 0.001 0.000 0.935 780 K CB -0.188 32.310 32.500 -0.003 0.000 0.728 780 K HN 0.307 nan 8.250 nan 0.000 0.452 781 I N 1.381 121.950 120.570 -0.001 0.000 2.163 781 I HA -0.274 3.902 4.170 0.010 0.000 0.240 781 I C 2.032 178.171 176.117 0.037 0.000 1.081 781 I CA 1.208 62.511 61.300 0.006 0.000 1.353 781 I CB -0.247 37.734 38.000 -0.032 0.000 1.054 781 I HN 0.146 nan 8.210 nan 0.000 0.407 782 I N -0.117 120.460 120.570 0.011 0.000 2.300 782 I HA -0.357 3.819 4.170 0.010 0.000 0.252 782 I C 2.426 178.613 176.117 0.117 0.000 1.119 782 I CA 1.306 62.631 61.300 0.042 0.000 1.384 782 I CB -0.687 37.315 38.000 0.003 0.000 1.062 782 I HN 0.225 nan 8.210 nan 0.000 0.426 783 S N 0.938 116.683 115.700 0.075 0.000 2.343 783 S HA -0.160 4.316 4.470 0.010 0.000 0.219 783 S C 2.021 176.681 174.600 0.100 0.000 1.033 783 S CA 1.424 59.668 58.200 0.073 0.000 1.014 783 S CB -0.318 62.908 63.200 0.042 0.000 0.915 783 S HN 0.365 nan 8.310 nan 0.000 0.435 784 M N 0.012 119.672 119.600 0.100 0.000 2.144 784 M HA -0.164 4.322 4.480 0.010 0.000 0.260 784 M C 1.975 178.377 176.300 0.169 0.000 1.067 784 M CA 1.592 56.962 55.300 0.116 0.000 1.095 784 M CB -0.508 32.151 32.600 0.098 0.000 1.365 784 M HN 0.278 nan 8.290 nan 0.000 0.406 785 F N 1.652 121.614 119.950 0.020 0.000 2.039 785 F HA -0.262 4.272 4.527 0.011 0.000 0.294 785 F C 2.744 178.579 175.800 0.058 0.000 1.130 785 F CA 2.176 60.184 58.000 0.013 0.000 1.189 785 F CB -0.732 38.250 39.000 -0.030 0.000 0.983 785 F HN 0.228 nan 8.300 nan 0.000 0.471 786 Q N 0.493 120.388 119.800 0.160 0.000 2.112 786 Q HA -0.224 4.123 4.340 0.010 0.000 0.206 786 Q C 2.185 178.173 176.000 -0.020 0.000 0.987 786 Q CA 1.792 57.615 55.803 0.035 0.000 0.858 786 Q CB -1.145 27.648 28.738 0.091 0.000 0.905 786 Q HN 0.424 nan 8.270 nan 0.000 0.420 787 A N 0.851 123.686 122.820 0.026 0.000 1.972 787 A HA -0.227 4.099 4.320 0.010 0.000 0.219 787 A C 1.844 179.426 177.584 -0.004 0.000 1.169 787 A CA 1.668 53.714 52.037 0.014 0.000 0.635 787 A CB -0.825 18.195 19.000 0.034 0.000 0.810 787 A HN 0.625 nan 8.150 nan 0.000 0.446 788 H N -0.338 118.662 119.070 -0.117 0.000 2.395 788 H HA 0.057 4.620 4.556 0.011 0.000 0.299 788 H C 1.756 176.981 175.328 -0.172 0.000 1.070 788 H CA 1.745 57.708 56.048 -0.142 0.000 1.356 788 H CB -0.121 29.520 29.762 -0.200 0.000 1.401 788 H HN 0.458 nan 8.280 nan 0.000 0.524 789 I N -0.029 120.447 120.570 -0.157 0.000 2.286 789 I HA -0.249 3.927 4.170 0.010 0.000 0.248 789 I C 2.262 178.347 176.117 -0.054 0.000 1.115 789 I CA 1.179 62.362 61.300 -0.195 0.000 1.392 789 I CB -0.231 37.610 38.000 -0.265 0.000 1.065 789 I HN 0.271 nan 8.210 nan 0.000 0.418 790 R N 0.778 121.250 120.500 -0.047 0.000 2.075 790 R HA -0.045 4.301 4.340 0.010 0.000 0.232 790 R C 2.341 178.630 176.300 -0.018 0.000 1.126 790 R CA 1.365 57.455 56.100 -0.017 0.000 0.963 790 R CB -0.742 29.545 30.300 -0.021 0.000 0.858 790 R HN 0.396 nan 8.270 nan 0.000 0.435 791 G N -0.227 108.533 108.800 -0.067 0.000 2.708 791 G HA2 -0.259 3.708 3.960 0.010 0.000 0.210 791 G HA3 -0.259 3.708 3.960 0.010 0.000 0.210 791 G C 0.964 175.809 174.900 -0.090 0.000 1.141 791 G CA 0.199 45.231 45.100 -0.114 0.000 0.788 791 G HN 0.345 nan 8.290 nan 0.000 0.531 792 Y N 0.331 120.532 120.300 -0.165 0.000 2.353 792 Y HA 0.298 4.855 4.550 0.011 0.000 0.294 792 Y C 2.378 178.234 175.900 -0.074 0.000 1.135 792 Y CA 0.321 58.347 58.100 -0.123 0.000 1.176 792 Y CB -0.129 38.270 38.460 -0.101 0.000 1.124 792 Y HN 0.054 nan 8.280 nan 0.000 0.537 793 L N -0.007 121.382 121.223 0.277 0.000 1.989 793 L HA -0.267 4.079 4.340 0.010 0.000 0.211 793 L C 2.321 179.209 176.870 0.029 0.000 1.071 793 L CA 1.214 56.157 54.840 0.171 0.000 0.749 793 L CB -0.777 41.356 42.059 0.123 0.000 0.890 793 L HN 0.240 nan 8.230 nan 0.000 0.431 794 I N 0.093 120.668 120.570 0.009 0.000 2.113 794 I HA -0.341 3.835 4.170 0.010 0.000 0.242 794 I C 2.735 178.847 176.117 -0.009 0.000 1.064 794 I CA 1.733 63.034 61.300 0.001 0.000 1.320 794 I CB -1.283 36.705 38.000 -0.020 0.000 1.028 794 I HN 0.328 nan 8.210 nan 0.000 0.406 795 R N 1.064 121.511 120.500 -0.088 0.000 2.115 795 R HA -0.252 4.094 4.340 0.010 0.000 0.239 795 R C 2.525 178.786 176.300 -0.064 0.000 1.133 795 R CA 2.734 58.763 56.100 -0.119 0.000 0.935 795 R CB -1.032 29.131 30.300 -0.228 0.000 0.853 795 R HN 0.463 nan 8.270 nan 0.000 0.433 796 K N 1.005 121.319 120.400 -0.144 0.000 2.077 796 K HA -0.168 4.158 4.320 0.010 0.000 0.213 796 K C 2.150 178.743 176.600 -0.011 0.000 1.051 796 K CA 2.073 58.302 56.287 -0.096 0.000 0.929 796 K CB -1.262 31.186 32.500 -0.087 0.000 0.715 796 K HN 0.462 nan 8.250 nan 0.000 0.451 797 A N -1.198 121.633 122.820 0.018 0.000 2.119 797 A HA 0.160 4.486 4.320 0.010 0.000 0.216 797 A C 2.098 179.710 177.584 0.047 0.000 1.152 797 A CA 1.206 53.259 52.037 0.027 0.000 0.708 797 A CB -0.461 18.555 19.000 0.027 0.000 0.805 797 A HN 0.678 nan 8.150 nan 0.000 0.460 798 Y N 0.834 121.103 120.300 -0.052 0.000 2.365 798 Y HA -0.218 4.338 4.550 0.011 0.000 0.287 798 Y C 2.259 178.134 175.900 -0.042 0.000 1.162 798 Y CA 1.990 60.062 58.100 -0.047 0.000 1.260 798 Y CB 0.041 38.467 38.460 -0.056 0.000 0.976 798 Y HN 0.194 nan 8.280 nan 0.000 0.548 799 K N 0.941 121.332 120.400 -0.015 0.000 2.025 799 K HA -0.155 4.171 4.320 0.010 0.000 0.207 799 K C 2.337 178.858 176.600 -0.133 0.000 1.049 799 K CA 2.027 58.266 56.287 -0.079 0.000 0.933 799 K CB -0.349 32.136 32.500 -0.023 0.000 0.714 799 K HN 0.327 nan 8.250 nan 0.000 0.438 800 K N 1.213 121.558 120.400 -0.090 0.000 2.167 800 K HA 0.042 4.368 4.320 0.010 0.000 0.203 800 K C 2.016 178.549 176.600 -0.112 0.000 1.052 800 K CA 0.836 57.072 56.287 -0.084 0.000 0.956 800 K CB -0.674 31.797 32.500 -0.048 0.000 0.735 800 K HN 0.113 nan 8.250 nan 0.000 0.451 801 L N 0.774 121.917 121.223 -0.133 0.000 2.353 801 L HA -0.068 4.278 4.340 0.010 0.000 0.220 801 L C 2.128 178.862 176.870 -0.227 0.000 1.133 801 L CA 2.222 56.979 54.840 -0.139 0.000 0.798 801 L CB -0.262 41.743 42.059 -0.089 0.000 0.922 801 L HN 0.715 nan 8.230 nan 0.000 0.445 802 Q N -1.958 117.648 119.800 -0.323 0.000 2.369 802 Q HA -0.088 4.259 4.340 0.010 0.000 0.254 802 Q C 1.463 177.347 176.000 -0.194 0.000 0.858 802 Q CA 0.312 55.917 55.803 -0.329 0.000 0.961 802 Q CB 0.605 29.010 28.738 -0.555 0.000 1.119 802 Q HN 0.294 nan 8.270 nan 0.000 0.538 803 D N 0.376 120.678 120.400 -0.162 0.000 2.123 803 D HA -0.132 4.514 4.640 0.010 0.000 0.200 803 D C 1.675 177.925 176.300 -0.083 0.000 0.976 803 D CA 1.273 55.211 54.000 -0.105 0.000 0.831 803 D CB 0.286 41.034 40.800 -0.086 0.000 0.974 803 D HN 0.260 nan 8.370 nan 0.000 0.469 804 Q N -0.755 118.995 119.800 -0.082 0.000 2.230 804 Q HA -0.091 4.255 4.340 0.010 0.000 0.202 804 Q C 2.517 178.480 176.000 -0.061 0.000 0.963 804 Q CA 1.400 57.166 55.803 -0.062 0.000 0.866 804 Q CB -0.149 28.557 28.738 -0.054 0.000 0.931 804 Q HN 0.267 nan 8.270 nan 0.000 0.452 805 R N 1.310 121.764 120.500 -0.077 0.000 2.134 805 R HA -0.214 4.132 4.340 0.010 0.000 0.248 805 R C 1.827 178.095 176.300 -0.054 0.000 1.143 805 R CA 2.228 58.287 56.100 -0.068 0.000 0.957 805 R CB -1.740 28.508 30.300 -0.086 0.000 0.867 805 R HN 0.363 nan 8.270 nan 0.000 0.441 806 I N -0.325 120.212 120.570 -0.056 0.000 2.500 806 I HA -0.006 4.171 4.170 0.010 0.000 0.252 806 I C 2.916 179.008 176.117 -0.042 0.000 1.142 806 I CA 0.921 62.193 61.300 -0.046 0.000 1.451 806 I CB -0.456 37.517 38.000 -0.046 0.000 1.093 806 I HN 0.510 nan 8.210 nan 0.000 0.430 807 G N 1.650 110.423 108.800 -0.044 0.000 2.459 807 G HA2 -0.291 3.676 3.960 0.010 0.000 0.217 807 G HA3 -0.291 3.676 3.960 0.010 0.000 0.217 807 G C 1.640 176.518 174.900 -0.036 0.000 1.183 807 G CA 0.924 46.000 45.100 -0.040 0.000 0.776 807 G HN 0.272 nan 8.290 nan 0.000 0.552 808 L N 1.125 122.327 121.223 -0.035 0.000 2.017 808 L HA 0.012 4.358 4.340 0.010 0.000 0.208 808 L C 2.834 179.687 176.870 -0.028 0.000 1.073 808 L CA 2.562 57.384 54.840 -0.029 0.000 0.745 808 L CB -0.820 41.223 42.059 -0.027 0.000 0.894 808 L HN 0.170 nan 8.230 nan 0.000 0.432 809 S N -0.965 114.717 115.700 -0.029 0.000 2.440 809 S HA -0.177 4.299 4.470 0.010 0.000 0.240 809 S C 1.869 176.453 174.600 -0.027 0.000 1.014 809 S CA 1.267 59.451 58.200 -0.026 0.000 0.980 809 S CB -0.558 62.625 63.200 -0.028 0.000 0.775 809 S HN 0.386 nan 8.310 nan 0.000 0.499 810 V N 1.380 121.276 119.914 -0.031 0.000 2.239 810 V HA -0.133 3.993 4.120 0.010 0.000 0.242 810 V C 2.033 178.106 176.094 -0.035 0.000 1.038 810 V CA 1.535 63.814 62.300 -0.034 0.000 1.002 810 V CB -0.661 31.139 31.823 -0.039 0.000 0.641 810 V HN 0.340 nan 8.190 nan 0.000 0.449 811 I N -0.007 120.541 120.570 -0.037 0.000 2.058 811 I HA -0.331 3.845 4.170 0.010 0.000 0.235 811 I C 2.616 178.720 176.117 -0.022 0.000 1.053 811 I CA 2.046 63.323 61.300 -0.038 0.000 1.313 811 I CB -0.894 37.084 38.000 -0.037 0.000 1.039 811 I HN 0.333 nan 8.210 nan 0.000 0.396 812 Q N 0.274 120.065 119.800 -0.015 0.000 2.250 812 Q HA -0.368 3.979 4.340 0.010 0.000 0.215 812 Q C 2.423 178.423 176.000 0.001 0.000 1.002 812 Q CA 3.023 58.823 55.803 -0.004 0.000 0.910 812 Q CB -0.058 28.676 28.738 -0.008 0.000 0.939 812 Q HN 0.594 nan 8.270 nan 0.000 0.416 813 R N -0.262 120.233 120.500 -0.008 0.000 2.189 813 R HA 0.027 4.374 4.340 0.010 0.000 0.203 813 R C 1.600 177.899 176.300 -0.002 0.000 1.012 813 R CA 1.062 57.159 56.100 -0.006 0.000 1.015 813 R CB -1.042 29.249 30.300 -0.015 0.000 0.938 813 R HN 0.379 nan 8.270 nan 0.000 0.472 814 N N 0.627 119.319 118.700 -0.013 0.000 2.106 814 N HA 0.011 4.757 4.740 0.010 0.000 0.188 814 N C 1.704 177.229 175.510 0.024 0.000 1.029 814 N CA 1.701 54.738 53.050 -0.020 0.000 0.848 814 N CB -0.069 38.381 38.487 -0.061 0.000 1.007 814 N HN 0.446 nan 8.380 nan 0.000 0.423 815 I N 0.381 120.976 120.570 0.040 0.000 2.202 815 I HA -0.174 4.002 4.170 0.010 0.000 0.242 815 I C 1.880 178.092 176.117 0.160 0.000 1.091 815 I CA 0.832 62.221 61.300 0.148 0.000 1.368 815 I CB -0.155 37.921 38.000 0.127 0.000 1.058 815 I HN 0.078 nan 8.210 nan 0.000 0.410 816 R N 0.566 121.114 120.500 0.079 0.000 2.371 816 R HA -0.193 4.153 4.340 0.010 0.000 0.226 816 R C 1.858 178.181 176.300 0.040 0.000 1.132 816 R CA 0.994 57.123 56.100 0.050 0.000 1.027 816 R CB -0.116 30.197 30.300 0.022 0.000 0.848 816 R HN 0.299 nan 8.270 nan 0.000 0.479 817 K N -1.340 119.096 120.400 0.060 0.000 2.402 817 K HA -0.028 4.298 4.320 0.010 0.000 0.203 817 K C 1.058 177.702 176.600 0.075 0.000 1.077 817 K CA -0.240 56.065 56.287 0.030 0.000 1.051 817 K CB 0.272 32.773 32.500 0.002 0.000 0.907 817 K HN 0.092 nan 8.250 nan 0.000 0.554 818 W N 1.204 122.445 121.300 -0.098 0.000 2.539 818 W HA 0.099 4.765 4.660 0.010 0.000 0.281 818 W C 0.998 177.451 176.519 -0.110 0.000 1.220 818 W CA 0.630 57.901 57.345 -0.123 0.000 1.332 818 W CB -0.065 29.340 29.460 -0.092 0.000 1.095 818 W HN -0.090 nan 8.180 nan 0.000 0.571 819 L N -0.040 121.137 121.223 -0.077 0.000 2.027 819 L HA -0.184 4.162 4.340 0.010 0.000 0.206 819 L C 2.405 179.159 176.870 -0.193 0.000 1.074 819 L CA 1.299 55.979 54.840 -0.266 0.000 0.745 819 L CB -1.696 40.296 42.059 -0.112 0.000 0.898 819 L HN -0.131 nan 8.230 nan 0.000 0.433 820 V N 0.452 120.308 119.914 -0.096 0.000 2.469 820 V HA -0.274 3.852 4.120 0.010 0.000 0.251 820 V C 2.396 178.450 176.094 -0.066 0.000 1.064 820 V CA 1.864 64.125 62.300 -0.064 0.000 1.066 820 V CB -0.060 31.732 31.823 -0.052 0.000 0.667 820 V HN 0.365 nan 8.190 nan 0.000 0.461 821 L N 0.370 121.508 121.223 -0.141 0.000 2.072 821 L HA 0.027 4.374 4.340 0.010 0.000 0.205 821 L C 2.455 179.229 176.870 -0.161 0.000 1.079 821 L CA 1.726 56.463 54.840 -0.173 0.000 0.752 821 L CB -0.792 41.057 42.059 -0.350 0.000 0.906 821 L HN 0.171 nan 8.230 nan 0.000 0.436 822 R N -0.041 120.268 120.500 -0.319 0.000 2.339 822 R HA 0.020 4.367 4.340 0.010 0.000 0.199 822 R C 0.691 176.951 176.300 -0.067 0.000 1.018 822 R CA 0.314 56.264 56.100 -0.249 0.000 1.036 822 R CB -0.796 29.201 30.300 -0.505 0.000 0.899 822 R HN 0.451 nan 8.270 nan 0.000 0.473 823 N N -0.429 118.268 118.700 -0.004 0.000 2.416 823 N HA -0.031 4.715 4.740 0.010 0.000 0.267 823 N C -1.449 174.173 175.510 0.186 0.000 1.294 823 N CA -0.194 52.887 53.050 0.051 0.000 0.891 823 N CB 0.397 38.886 38.487 0.003 0.000 1.238 823 N HN 0.068 nan 8.380 nan 0.000 0.508 824 W N 2.929 124.255 121.300 0.044 0.000 2.338 824 W HA 0.363 5.029 4.660 0.010 0.000 0.315 824 W C 1.118 177.730 176.519 0.155 0.000 1.005 824 W CA -0.571 56.842 57.345 0.113 0.000 1.380 824 W CB 0.665 30.221 29.460 0.159 0.000 1.235 824 W HN -0.007 nan 8.180 nan 0.000 0.409 825 Q N 2.775 122.463 119.800 -0.187 0.000 2.129 825 Q HA -0.343 4.003 4.340 0.010 0.000 0.218 825 Q C 1.624 177.271 176.000 -0.587 0.000 1.040 825 Q CA 3.038 58.607 55.803 -0.391 0.000 0.913 825 Q CB -0.933 27.533 28.738 -0.453 0.000 1.030 825 Q HN 0.821 nan 8.270 nan 0.000 0.419 826 W N -0.182 120.509 121.300 -1.015 0.000 2.317 826 W HA -0.231 4.435 4.660 0.010 0.000 0.318 826 W C 2.414 178.602 176.519 -0.551 0.000 1.227 826 W CA 1.015 57.765 57.345 -0.993 0.000 1.269 826 W CB -0.820 27.516 29.460 -1.874 0.000 1.155 826 W HN 0.392 nan 8.180 nan 0.000 0.484 827 W N 1.574 122.698 121.300 -0.293 0.000 2.332 827 W HA -0.267 4.399 4.660 0.011 0.000 0.321 827 W C 1.937 178.454 176.519 -0.002 0.000 1.219 827 W CA 2.151 59.538 57.345 0.068 0.000 1.277 827 W CB -0.667 28.977 29.460 0.307 0.000 1.161 827 W HN -0.056 nan 8.180 nan 0.000 0.476 828 K N -0.041 120.462 120.400 0.172 0.000 2.059 828 K HA -0.281 4.045 4.320 0.010 0.000 0.212 828 K C 1.867 178.418 176.600 -0.082 0.000 1.050 828 K CA 1.977 58.295 56.287 0.053 0.000 0.927 828 K CB -1.044 31.461 32.500 0.008 0.000 0.714 828 K HN 0.138 nan 8.250 nan 0.000 0.447 829 L N 0.836 121.970 121.223 -0.150 0.000 2.042 829 L HA -0.256 4.090 4.340 0.010 0.000 0.210 829 L C 2.734 179.510 176.870 -0.157 0.000 1.076 829 L CA 2.255 56.989 54.840 -0.177 0.000 0.749 829 L CB -1.319 40.583 42.059 -0.263 0.000 0.893 829 L HN 0.354 nan 8.230 nan 0.000 0.432 830 Y N -0.793 119.384 120.300 -0.205 0.000 2.114 830 Y HA -0.219 4.337 4.550 0.010 0.000 0.284 830 Y C 2.852 178.582 175.900 -0.283 0.000 1.143 830 Y CA 2.632 60.569 58.100 -0.273 0.000 1.135 830 Y CB -1.730 36.449 38.460 -0.468 0.000 0.980 830 Y HN 0.548 nan 8.280 nan 0.000 0.499 831 S N 0.504 116.001 115.700 -0.338 0.000 2.383 831 S HA -0.164 4.312 4.470 0.010 0.000 0.229 831 S C 2.158 176.701 174.600 -0.095 0.000 1.030 831 S CA 2.250 60.340 58.200 -0.184 0.000 1.002 831 S CB -1.114 62.049 63.200 -0.061 0.000 0.829 831 S HN 0.992 nan 8.310 nan 0.000 0.467 832 K N 1.560 121.905 120.400 -0.091 0.000 2.044 832 K HA 0.063 4.389 4.320 0.010 0.000 0.210 832 K C 1.936 178.498 176.600 -0.064 0.000 1.049 832 K CA 1.839 58.087 56.287 -0.066 0.000 0.927 832 K CB -1.656 30.797 32.500 -0.077 0.000 0.713 832 K HN 0.518 nan 8.250 nan 0.000 0.443 833 V N 1.325 121.191 119.914 -0.081 0.000 3.413 833 V HA 0.209 4.335 4.120 0.010 0.000 0.344 833 V C 1.239 177.294 176.094 -0.064 0.000 1.225 833 V CA 0.556 62.816 62.300 -0.067 0.000 1.324 833 V CB -1.241 30.541 31.823 -0.068 0.000 1.161 833 V HN 0.579 nan 8.190 nan 0.000 0.432 834 K N 2.614 122.979 120.400 -0.058 0.000 2.142 834 K HA 0.420 4.746 4.320 0.010 0.000 0.250 834 K C -1.072 175.512 176.600 -0.028 0.000 1.148 834 K CA -1.155 55.104 56.287 -0.048 0.000 1.040 834 K CB -1.098 31.378 32.500 -0.039 0.000 1.569 834 K HN 0.617 nan 8.250 nan 0.000 0.361 835 P HA 0.000 nan 4.420 nan 0.000 0.216 835 P CA 0.000 63.089 63.100 -0.018 0.000 0.800 835 P CB 0.000 31.689 31.700 -0.019 0.000 0.726