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 2q1f_1_B DATA FIRST_RESID 14 DATA SEQUENCE AQIVTDERXF SFEEPQLPAC ITGVQSQLGI SGAHYKDGKH SLEWTFEPNG DATA SEQUENCE RLELRKDLKF EKKDPTGKDL YLSAFIVWIY NEQPQDAAIE FEFLKDGRKC DATA SEQUENCE ASFPFGINFK GWRAAWVCYE RDXQGTPEEG XNELRIVAPD AKGRLFIDHL DATA SEQUENCE ITATKVDARQ QTADLQVPFV NAGTTNHWLV LYKHSLLKPD IELTPVSDKQ DATA SEQUENCE RQEXKLLEKR FRDXIYTKGK VTEKEAETIR KKYDLYQITY KDGQVSGVPV DATA SEQUENCE FXVRASEAYE RXIPDWDKDX LTKXGIEXRA YFDLXKRIAV AYNNSEAGSP DATA SEQUENCE IRKEXRRKFL AXYDHITDQG VAYGSCWGNI HHYGYSVRGL YPAYFLXKDV DATA SEQUENCE LREEGKLLEA ERTLRWYAIT NEVYPKPEGN GIDXDSFNTQ TTGRIASILX DATA SEQUENCE XEDTPEKLQY LKSFSRWIDY GCRPAPGLAG SFKVDGGAFH HRNNYPAYAV DATA SEQUENCE GGLDGATNXI YLFSRTSLAV SELAHRTVKD VLLAXRFYCN KLNFPLSXSG DATA SEQUENCE RHPDGKGKLV PXHYAIXAIA GTPDGKGDFD KEXASAYLRL VSSDXXXXXX DATA SEQUENCE XXXXXPKVSN AQERKIAKRL VENGFRAEPD PQGNLSLGYG CVSVQRRENW DATA SEQUENCE SAVARGHSRY LWAAEHYLGH NLYGRYLAHG SLQILTAPPG QTVTPTTSGW DATA SEQUENCE QQEGFDWNRI PGVTSIHLPL DLLKANVLNV DTFSGXEEXL YSDEAFAGGL DATA SEQUENCE SQGKXNGNFG XKLHEHDKYN GTHRARKSFH FIDGXIVCLG SDIENTNXDY DATA SEQUENCE PTETTIFQLA VTDKAAHDYW KNNAGEGKVW XDHLGTGYYV PVAARFEKNF DATA SEQUENCE PQYSRXQDTG KETKGDWVSL IIDHGKAPKA GSYEYAILPG TDRKTXTAFA DATA SEQUENCE KKPAYSVLQQ DRNAHILESP SDRITSYVLF ETPQSLLPGG LLQRTDTSCL DATA SEQUENCE VXVRKESADK VLLTVAQPDL ALYRGPSDEA FDKDGKRXER SIYSRPWIDN DATA SEQUENCE ESGEIPVTVT LKGRWKVVET PYCKVVSEDK KQTVLRFLCK DGASYEVELE DATA SEQUENCE K 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 14 A HA 0.000 nan 4.320 nan 0.000 0.244 14 A C 0.000 177.561 177.584 -0.038 0.000 1.274 14 A CA 0.000 52.016 52.037 -0.036 0.000 0.836 14 A CB 0.000 18.975 19.000 -0.041 0.000 0.831 15 Q N 0.964 120.736 119.800 -0.046 0.000 2.286 15 Q HA 0.657 4.997 4.340 0.000 0.000 0.257 15 Q C -0.313 175.620 176.000 -0.112 0.000 0.941 15 Q CA -0.319 55.446 55.803 -0.063 0.000 0.912 15 Q CB 1.175 29.873 28.738 -0.066 0.000 1.192 15 Q HN 0.856 nan 8.270 nan 0.000 0.410 16 I N 3.753 124.233 120.570 -0.149 0.000 2.441 16 I HA 0.268 4.438 4.170 0.000 0.000 0.287 16 I C -0.565 175.347 176.117 -0.342 0.000 1.049 16 I CA 0.094 61.249 61.300 -0.241 0.000 1.381 16 I CB 0.877 38.709 38.000 -0.280 0.000 1.409 16 I HN 0.680 nan 8.210 nan 0.000 0.523 17 V N 5.545 125.275 119.914 -0.307 0.000 3.480 17 V HA -0.196 3.924 4.120 0.000 0.000 0.494 17 V C -0.346 175.636 176.094 -0.187 0.000 0.682 17 V CA 1.001 63.144 62.300 -0.261 0.000 2.039 17 V CB -0.798 30.817 31.823 -0.348 0.000 2.474 17 V HN 1.012 nan 8.190 nan 0.000 0.505 18 T N 6.353 120.823 114.554 -0.140 0.000 2.772 18 T HA 0.674 5.024 4.350 0.000 0.000 0.288 18 T C -0.582 174.045 174.700 -0.121 0.000 0.994 18 T CA 0.015 62.035 62.100 -0.132 0.000 0.951 18 T CB 1.511 70.314 68.868 -0.108 0.000 0.933 18 T HN 0.921 nan 8.240 nan 0.000 0.447 19 D N 0.761 121.071 120.400 -0.150 0.000 2.661 19 D HA 0.224 4.864 4.640 0.000 0.000 0.228 19 D C 1.019 177.197 176.300 -0.203 0.000 1.210 19 D CA -0.705 53.213 54.000 -0.137 0.000 0.826 19 D CB 1.568 42.308 40.800 -0.099 0.000 1.542 19 D HN 0.532 nan 8.370 nan 0.000 0.447 20 E N 1.071 121.172 120.200 -0.165 0.000 2.265 20 E HA -0.076 4.274 4.350 0.000 0.000 0.196 20 E C 0.298 176.745 176.600 -0.254 0.000 0.996 20 E CA 0.694 56.975 56.400 -0.199 0.000 0.832 20 E CB 0.340 29.980 29.700 -0.099 0.000 0.756 20 E HN 0.207 nan 8.360 nan 0.000 0.491 24 S N 2.236 117.591 115.700 -0.576 0.000 2.632 24 S HA 0.272 4.743 4.470 0.000 0.000 0.237 24 S C 0.279 174.779 174.600 -0.168 0.000 1.037 24 S CA -0.045 57.939 58.200 -0.361 0.000 1.009 24 S CB -0.105 62.998 63.200 -0.161 0.000 0.974 24 S HN 0.572 nan 8.310 nan 0.000 0.544 25 F N 1.404 121.485 119.950 0.219 0.000 3.074 25 F HA -0.131 4.396 4.527 0.000 0.000 0.287 25 F C 0.764 176.628 175.800 0.107 0.000 0.932 25 F CA 0.676 58.786 58.000 0.183 0.000 0.995 25 F CB -2.313 36.816 39.000 0.216 0.000 0.966 25 F HN 0.262 nan 8.300 nan 0.000 0.721 26 E N 0.989 121.274 120.200 0.142 0.000 2.489 26 E HA -0.005 4.346 4.350 0.000 0.000 0.193 26 E C 0.958 177.529 176.600 -0.048 0.000 1.057 26 E CA 0.375 56.810 56.400 0.060 0.000 0.866 26 E CB 0.228 29.961 29.700 0.054 0.000 0.916 26 E HN 0.531 nan 8.360 nan 0.000 0.500 27 E N -0.035 120.164 120.200 -0.001 0.000 2.277 27 E HA 0.130 4.480 4.350 0.000 0.000 0.274 27 E C -1.787 174.781 176.600 -0.053 0.000 1.022 27 E CA -1.851 54.538 56.400 -0.018 0.000 0.853 27 E CB 0.837 30.557 29.700 0.034 0.000 1.086 27 E HN -0.100 nan 8.360 nan 0.000 0.397 28 P HA -0.188 nan 4.420 nan 0.000 0.215 28 P C 0.431 177.725 177.300 -0.010 0.000 1.153 28 P CA 1.402 64.471 63.100 -0.053 0.000 0.853 28 P CB 0.344 32.027 31.700 -0.027 0.000 0.788 29 Q N 0.593 120.403 119.800 0.015 0.000 2.230 29 Q HA 0.309 4.649 4.340 0.000 0.000 0.248 29 Q C -0.055 175.983 176.000 0.063 0.000 0.915 29 Q CA -0.787 55.037 55.803 0.034 0.000 0.900 29 Q CB 0.398 29.156 28.738 0.034 0.000 1.229 29 Q HN -0.047 nan 8.270 nan 0.000 0.439 30 L N 1.877 123.137 121.223 0.061 0.000 2.461 30 L HA 0.495 4.835 4.340 0.000 0.000 0.272 30 L C -2.108 174.823 176.870 0.101 0.000 1.197 30 L CA -1.837 53.053 54.840 0.083 0.000 0.836 30 L CB -1.157 40.923 42.059 0.035 0.000 1.105 30 L HN 0.545 nan 8.230 nan 0.000 0.477 31 P HA 0.150 nan 4.420 nan 0.000 0.267 31 P C 0.507 177.855 177.300 0.079 0.000 1.205 31 P CA 0.086 63.281 63.100 0.157 0.000 0.765 31 P CB 0.831 32.672 31.700 0.236 0.000 0.828 32 A N 2.972 125.837 122.820 0.076 0.000 2.019 32 A HA -0.201 4.119 4.320 0.000 0.000 0.219 32 A C 1.954 179.555 177.584 0.027 0.000 1.164 32 A CA 1.714 53.778 52.037 0.045 0.000 0.644 32 A CB -1.501 17.527 19.000 0.046 0.000 0.805 32 A HN 0.763 nan 8.150 nan 0.000 0.449 33 C N -1.608 117.714 119.300 0.037 0.000 2.522 33 C HA 0.463 4.923 4.460 0.000 0.000 0.271 33 C C 0.874 175.835 174.990 -0.050 0.000 1.425 33 C CA -0.863 58.162 59.018 0.012 0.000 1.751 33 C CB -1.765 26.009 27.740 0.056 0.000 1.775 33 C HN 0.393 nan 8.230 nan 0.000 0.557 34 I N 3.016 123.544 120.570 -0.070 0.000 2.312 34 I HA 0.374 4.544 4.170 0.000 0.000 0.290 34 I C 0.212 176.277 176.117 -0.086 0.000 1.008 34 I CA 0.294 61.526 61.300 -0.115 0.000 1.226 34 I CB 1.402 39.311 38.000 -0.152 0.000 1.371 34 I HN 0.352 nan 8.210 nan 0.000 0.468 35 T N 1.844 116.339 114.554 -0.098 0.000 2.907 35 T HA 0.769 5.119 4.350 0.000 0.000 0.292 35 T C -0.200 174.447 174.700 -0.089 0.000 1.043 35 T CA -0.916 61.141 62.100 -0.072 0.000 1.003 35 T CB 2.012 70.850 68.868 -0.050 0.000 1.084 35 T HN 0.638 nan 8.240 nan 0.000 0.483 36 G N 0.577 109.352 108.800 -0.042 0.000 2.470 36 G HA2 0.585 4.545 3.960 0.000 0.000 0.320 36 G HA3 0.585 4.545 3.960 0.000 0.000 0.320 36 G C -1.063 173.853 174.900 0.026 0.000 1.245 36 G CA -0.792 44.306 45.100 -0.003 0.000 0.935 36 G HN 0.844 nan 8.290 nan 0.000 0.476 37 V N 2.246 122.184 119.914 0.041 0.000 2.398 37 V HA 0.365 4.485 4.120 0.000 0.000 0.286 37 V C 0.712 176.854 176.094 0.080 0.000 1.026 37 V CA -0.491 61.832 62.300 0.039 0.000 0.868 37 V CB 1.154 32.980 31.823 0.006 0.000 0.982 37 V HN 1.042 nan 8.190 nan 0.000 0.443 38 Q N 2.624 122.459 119.800 0.059 0.000 2.434 38 Q HA -0.219 4.122 4.340 0.000 0.000 0.299 38 Q C 0.059 176.114 176.000 0.092 0.000 1.286 38 Q CA 0.882 56.720 55.803 0.058 0.000 0.872 38 Q CB -0.629 28.137 28.738 0.046 0.000 1.193 38 Q HN 1.141 nan 8.270 nan 0.000 0.466 39 S N -1.371 114.396 115.700 0.111 0.000 2.587 39 S HA 0.581 5.052 4.470 0.000 0.000 0.269 39 S C -1.150 173.521 174.600 0.118 0.000 1.154 39 S CA -0.929 57.356 58.200 0.143 0.000 0.824 39 S CB 1.772 65.189 63.200 0.362 0.000 1.118 39 S HN 0.359 nan 8.310 nan 0.000 0.462 40 Q N 1.007 120.858 119.800 0.086 0.000 2.337 40 Q HA 0.792 5.132 4.340 0.000 0.000 0.266 40 Q C -1.309 174.748 176.000 0.095 0.000 1.023 40 Q CA -1.038 54.802 55.803 0.062 0.000 0.829 40 Q CB 1.650 30.393 28.738 0.008 0.000 1.306 40 Q HN 0.687 nan 8.270 nan 0.000 0.449 41 L N 0.969 122.234 121.223 0.071 0.000 2.333 41 L HA 0.956 5.296 4.340 0.000 0.000 0.269 41 L C 0.047 176.928 176.870 0.019 0.000 1.010 41 L CA -0.913 53.959 54.840 0.054 0.000 0.818 41 L CB 2.234 44.304 42.059 0.019 0.000 1.306 41 L HN 0.948 nan 8.230 nan 0.000 0.430 42 G N 1.300 110.105 108.800 0.008 0.000 2.667 42 G HA2 0.563 4.523 3.960 0.000 0.000 0.294 42 G HA3 0.563 4.523 3.960 0.000 0.000 0.294 42 G C -1.712 173.215 174.900 0.045 0.000 1.467 42 G CA -0.627 44.488 45.100 0.025 0.000 0.852 42 G HN 0.291 nan 8.290 nan 0.000 0.521 43 I N 1.584 122.197 120.570 0.071 0.000 2.396 43 I HA 0.464 4.634 4.170 0.000 0.000 0.289 43 I C 0.758 176.997 176.117 0.204 0.000 1.056 43 I CA 0.011 61.389 61.300 0.130 0.000 1.365 43 I CB 1.642 39.698 38.000 0.093 0.000 1.407 43 I HN 0.342 nan 8.210 nan 0.000 0.509 44 S N 3.762 119.637 115.700 0.292 0.000 2.503 44 S HA 0.692 5.162 4.470 0.000 0.000 0.301 44 S C 0.736 175.502 174.600 0.276 0.000 1.087 44 S CA -0.454 57.928 58.200 0.303 0.000 1.042 44 S CB 1.453 64.927 63.200 0.456 0.000 1.043 44 S HN 0.789 nan 8.310 nan 0.000 0.489 45 G N 2.010 110.893 108.800 0.138 0.000 3.233 45 G HA2 0.418 4.378 3.960 0.000 0.000 0.234 45 G HA3 0.418 4.378 3.960 0.000 0.000 0.234 45 G C 1.022 175.885 174.900 -0.061 0.000 1.137 45 G CA 0.352 45.438 45.100 -0.023 0.000 0.763 45 G HN 0.885 nan 8.290 nan 0.000 0.549 46 A N 0.279 122.987 122.820 -0.186 0.000 1.970 46 A HA 0.217 4.537 4.320 0.000 0.000 0.216 46 A C 0.893 177.891 177.584 -0.977 0.000 1.170 46 A CA 0.601 52.297 52.037 -0.568 0.000 0.645 46 A CB -0.074 18.496 19.000 -0.717 0.000 0.816 46 A HN 0.364 nan 8.150 nan 0.000 0.447 47 H N -2.125 116.752 119.070 -0.322 0.000 2.894 47 H HA 0.532 5.089 4.556 0.000 0.000 0.367 47 H C -1.680 173.810 175.328 0.269 0.000 1.144 47 H CA -0.508 55.327 56.048 -0.355 0.000 1.180 47 H CB 1.217 30.217 29.762 -1.270 0.000 1.758 47 H HN 0.386 nan 8.280 nan 0.000 0.541 48 Y N -0.783 119.811 120.300 0.491 0.000 2.480 48 Y HA 0.351 4.901 4.550 0.000 0.000 0.329 48 Y C -0.019 175.864 175.900 -0.029 0.000 1.127 48 Y CA -1.110 57.201 58.100 0.352 0.000 1.037 48 Y CB 1.112 39.658 38.460 0.143 0.000 1.320 48 Y HN 0.392 nan 8.280 nan 0.000 0.446 49 K N 1.077 121.304 120.400 -0.287 0.000 2.348 49 K HA 0.178 4.498 4.320 0.000 0.000 0.194 49 K C -0.815 175.720 176.600 -0.109 0.000 1.052 49 K CA 1.064 56.904 56.287 -0.746 0.000 1.004 49 K CB 0.513 32.228 32.500 -1.308 0.000 0.873 49 K HN 0.912 nan 8.250 nan 0.000 0.523 50 D N -1.755 118.732 120.400 0.145 0.000 2.655 50 D HA 0.408 5.048 4.640 0.000 0.000 0.229 50 D C 0.527 176.927 176.300 0.167 0.000 1.229 50 D CA -0.036 54.085 54.000 0.201 0.000 0.807 50 D CB 1.008 41.908 40.800 0.166 0.000 1.514 50 D HN 0.137 nan 8.370 nan 0.000 0.444 51 G N 2.274 111.128 108.800 0.089 0.000 2.536 51 G HA2 -0.312 3.648 3.960 0.000 0.000 0.280 51 G HA3 -0.312 3.648 3.960 0.000 0.000 0.280 51 G C 0.262 175.036 174.900 -0.211 0.000 1.152 51 G CA 0.663 45.763 45.100 -0.001 0.000 0.970 51 G HN 0.730 nan 8.290 nan 0.000 0.549 52 K N 0.080 120.290 120.400 -0.316 0.000 2.582 52 K HA 0.257 4.577 4.320 0.000 0.000 0.204 52 K C 0.059 176.189 176.600 -0.784 0.000 1.221 52 K CA -0.082 55.636 56.287 -0.949 0.000 1.048 52 K CB 0.683 32.757 32.500 -0.710 0.000 1.011 52 K HN 0.615 nan 8.250 nan 0.000 0.597 53 H N -0.934 118.131 119.070 -0.007 0.000 2.946 53 H HA 0.466 5.022 4.556 0.000 0.000 0.365 53 H C -0.604 174.958 175.328 0.391 0.000 1.197 53 H CA -0.756 55.405 56.048 0.190 0.000 1.131 53 H CB 2.294 32.155 29.762 0.165 0.000 1.849 53 H HN 0.100 nan 8.280 nan 0.000 0.555 54 S N 0.563 116.606 115.700 0.572 0.000 2.671 54 S HA 0.429 4.900 4.470 0.000 0.000 0.277 54 S C -1.161 173.684 174.600 0.409 0.000 1.165 54 S CA -1.037 57.549 58.200 0.644 0.000 0.822 54 S CB 1.855 65.512 63.200 0.761 0.000 1.150 54 S HN 0.483 nan 8.310 nan 0.000 0.479 55 L N 1.509 122.815 121.223 0.140 0.000 2.261 55 L HA 0.485 4.826 4.340 0.000 0.000 0.289 55 L C 0.102 177.007 176.870 0.057 0.000 1.059 55 L CA -0.254 54.464 54.840 -0.204 0.000 0.816 55 L CB 0.697 42.194 42.059 -0.937 0.000 1.191 55 L HN 0.921 nan 8.230 nan 0.000 0.431 56 E N 4.855 125.081 120.200 0.043 0.000 2.129 56 E HA 0.013 4.363 4.350 0.000 0.000 0.283 56 E C -1.519 175.049 176.600 -0.054 0.000 1.080 56 E CA -0.526 55.770 56.400 -0.172 0.000 0.867 56 E CB 0.558 30.169 29.700 -0.148 0.000 1.056 56 E HN 0.560 nan 8.360 nan 0.000 0.404 57 W N 5.891 127.040 121.300 -0.251 0.000 2.322 57 W HA 0.294 4.955 4.660 0.000 0.000 0.321 57 W C -1.160 175.316 176.519 -0.071 0.000 0.991 57 W CA -0.890 56.393 57.345 -0.103 0.000 1.448 57 W CB 0.711 30.159 29.460 -0.021 0.000 1.239 57 W HN 0.249 nan 8.180 nan 0.000 0.399 58 T N 7.591 122.005 114.554 -0.234 0.000 2.738 58 T HA 0.436 4.786 4.350 0.000 0.000 0.298 58 T C -0.589 173.845 174.700 -0.444 0.000 0.962 58 T CA -0.167 61.666 62.100 -0.445 0.000 0.972 58 T CB -0.266 68.429 68.868 -0.290 0.000 0.928 58 T HN 0.253 nan 8.240 nan 0.000 0.474 59 F N 0.198 119.774 119.950 -0.622 0.000 2.522 59 F HA 0.785 5.312 4.527 0.000 0.000 0.324 59 F C 0.142 175.764 175.800 -0.296 0.000 1.077 59 F CA -1.381 56.308 58.000 -0.519 0.000 0.944 59 F CB 1.074 39.549 39.000 -0.875 0.000 1.175 59 F HN 0.169 nan 8.300 nan 0.000 0.468 60 E N 1.479 121.697 120.200 0.031 0.000 2.314 60 E HA 0.315 4.665 4.350 0.000 0.000 0.262 60 E C -2.573 174.096 176.600 0.114 0.000 1.093 60 E CA -1.988 54.424 56.400 0.019 0.000 0.908 60 E CB 0.603 30.307 29.700 0.006 0.000 1.091 60 E HN 0.348 nan 8.360 nan 0.000 0.425 61 P HA -0.044 nan 4.420 nan 0.000 0.260 61 P C -0.603 176.721 177.300 0.040 0.000 1.172 61 P CA 0.804 63.941 63.100 0.062 0.000 0.760 61 P CB -0.074 31.640 31.700 0.023 0.000 0.773 62 N N -0.389 118.321 118.700 0.016 0.000 2.782 62 N HA -0.159 4.581 4.740 0.000 0.000 0.251 62 N C 0.573 176.091 175.510 0.014 0.000 1.101 62 N CA 0.571 53.616 53.050 -0.008 0.000 0.764 62 N CB -1.592 36.891 38.487 -0.008 0.000 1.122 62 N HN 0.612 nan 8.380 nan 0.000 0.561 63 G N -0.027 108.806 108.800 0.055 0.000 2.527 63 G HA2 0.512 4.473 3.960 0.000 0.000 0.248 63 G HA3 0.512 4.473 3.960 0.000 0.000 0.248 63 G C 0.073 175.090 174.900 0.195 0.000 1.231 63 G CA -0.140 45.041 45.100 0.133 0.000 0.838 63 G HN 0.111 nan 8.290 nan 0.000 0.570 64 R N -0.417 120.169 120.500 0.144 0.000 2.711 64 R HA 0.577 4.917 4.340 0.000 0.000 0.284 64 R C -0.669 175.563 176.300 -0.112 0.000 0.968 64 R CA -0.712 55.388 56.100 -0.001 0.000 0.924 64 R CB 2.083 32.331 30.300 -0.087 0.000 1.162 64 R HN 0.440 nan 8.270 nan 0.000 0.465 65 L N 1.567 122.493 121.223 -0.495 0.000 2.305 65 L HA 0.467 4.807 4.340 0.000 0.000 0.284 65 L C -0.955 175.639 176.870 -0.459 0.000 1.013 65 L CA -0.187 54.255 54.840 -0.664 0.000 0.819 65 L CB 1.150 42.408 42.059 -1.334 0.000 1.227 65 L HN 0.614 nan 8.230 nan 0.000 0.417 66 E N 5.890 125.907 120.200 -0.306 0.000 2.165 66 E HA 0.324 4.674 4.350 0.000 0.000 0.266 66 E C -1.219 175.261 176.600 -0.199 0.000 0.889 66 E CA -0.553 55.707 56.400 -0.233 0.000 0.756 66 E CB 2.710 32.314 29.700 -0.160 0.000 1.131 66 E HN 0.496 nan 8.360 nan 0.000 0.411 67 L N 3.961 125.069 121.223 -0.191 0.000 2.277 67 L HA 0.393 4.733 4.340 0.000 0.000 0.284 67 L C -0.530 176.292 176.870 -0.080 0.000 1.028 67 L CA -0.485 54.265 54.840 -0.150 0.000 0.835 67 L CB 0.340 42.302 42.059 -0.160 0.000 1.215 67 L HN 0.382 nan 8.230 nan 0.000 0.425 68 R N 4.554 125.024 120.500 -0.049 0.000 2.522 68 R HA 0.371 4.711 4.340 0.000 0.000 0.290 68 R C -1.043 175.282 176.300 0.041 0.000 1.216 68 R CA -0.445 55.652 56.100 -0.006 0.000 1.250 68 R CB 0.580 30.873 30.300 -0.012 0.000 1.143 68 R HN 0.340 nan 8.270 nan 0.000 0.553 69 K N 0.656 121.103 120.400 0.078 0.000 2.551 69 K HA 0.105 4.425 4.320 0.000 0.000 0.269 69 K C -1.513 175.167 176.600 0.134 0.000 0.949 69 K CA -0.823 55.539 56.287 0.126 0.000 0.849 69 K CB 1.351 33.977 32.500 0.211 0.000 1.411 69 K HN 0.066 nan 8.250 nan 0.000 0.432 70 D N 3.161 123.631 120.400 0.118 0.000 2.479 70 D HA -0.015 4.626 4.640 0.000 0.000 0.257 70 D C 0.765 177.155 176.300 0.149 0.000 1.230 70 D CA 0.541 54.608 54.000 0.111 0.000 0.912 70 D CB 0.478 41.326 40.800 0.080 0.000 1.130 70 D HN 0.566 nan 8.370 nan 0.000 0.515 71 L N 3.118 124.446 121.223 0.174 0.000 2.362 71 L HA -0.101 4.239 4.340 0.000 0.000 0.219 71 L C 1.450 178.432 176.870 0.188 0.000 1.134 71 L CA 0.212 55.195 54.840 0.238 0.000 0.807 71 L CB -0.350 41.887 42.059 0.298 0.000 0.927 71 L HN 0.482 nan 8.230 nan 0.000 0.447 72 K N 0.340 120.813 120.400 0.121 0.000 3.096 72 K HA -0.264 4.056 4.320 0.000 0.000 0.266 72 K C -0.140 176.480 176.600 0.032 0.000 1.043 72 K CA 0.232 56.555 56.287 0.061 0.000 0.758 72 K CB -1.922 30.608 32.500 0.049 0.000 1.260 72 K HN 0.264 nan 8.250 nan 0.000 0.481 73 F N 0.853 120.716 119.950 -0.146 0.000 2.484 73 F HA 0.282 4.809 4.527 0.000 0.000 0.360 73 F C 0.360 176.048 175.800 -0.187 0.000 1.101 73 F CA -0.044 57.778 58.000 -0.296 0.000 1.251 73 F CB 0.624 39.260 39.000 -0.607 0.000 1.132 73 F HN 0.166 nan 8.300 nan 0.000 0.570 74 E N 5.511 125.072 120.200 -1.064 0.000 2.187 74 E HA 0.237 4.587 4.350 0.000 0.000 0.268 74 E C -0.892 174.965 176.600 -1.239 0.000 0.896 74 E CA -1.093 54.750 56.400 -0.928 0.000 0.766 74 E CB 1.751 31.201 29.700 -0.417 0.000 1.142 74 E HN 0.584 nan 8.360 nan 0.000 0.408 75 K N 2.298 122.149 120.400 -0.915 0.000 2.319 75 K HA 0.041 4.362 4.320 0.000 0.000 0.265 75 K C 0.154 176.625 176.600 -0.214 0.000 1.000 75 K CA -0.104 55.921 56.287 -0.437 0.000 0.943 75 K CB 0.442 32.844 32.500 -0.164 0.000 0.950 75 K HN 0.421 nan 8.250 nan 0.000 0.485 76 K N 0.988 121.349 120.400 -0.065 0.000 2.440 76 K HA -0.061 4.259 4.320 0.000 0.000 0.270 76 K C -0.323 176.254 176.600 -0.039 0.000 0.980 76 K CA -0.364 55.908 56.287 -0.025 0.000 0.953 76 K CB 0.340 32.856 32.500 0.027 0.000 0.925 76 K HN 0.420 nan 8.250 nan 0.000 0.497 77 D N 2.975 123.355 120.400 -0.033 0.000 2.451 77 D HA -0.008 4.632 4.640 0.000 0.000 0.254 77 D C -1.250 175.036 176.300 -0.024 0.000 1.204 77 D CA -1.693 52.284 54.000 -0.038 0.000 0.896 77 D CB 0.872 41.650 40.800 -0.037 0.000 1.136 77 D HN 0.404 nan 8.370 nan 0.000 0.499 78 P HA -0.138 nan 4.420 nan 0.000 0.221 78 P C 1.051 178.343 177.300 -0.015 0.000 1.150 78 P CA 1.043 64.133 63.100 -0.017 0.000 0.800 78 P CB -0.085 31.603 31.700 -0.020 0.000 0.787 79 T N -4.709 109.834 114.554 -0.019 0.000 3.023 79 T HA 0.216 4.566 4.350 0.000 0.000 0.266 79 T C 1.735 176.426 174.700 -0.014 0.000 1.093 79 T CA 1.075 63.165 62.100 -0.017 0.000 1.129 79 T CB -0.946 67.909 68.868 -0.022 0.000 0.899 79 T HN 0.247 nan 8.240 nan 0.000 0.491 80 G N 1.350 110.142 108.800 -0.014 0.000 2.175 80 G HA2 -0.301 3.659 3.960 0.000 0.000 0.244 80 G HA3 -0.301 3.659 3.960 0.000 0.000 0.244 80 G C 0.910 175.803 174.900 -0.013 0.000 0.982 80 G CA 0.491 45.585 45.100 -0.009 0.000 0.641 80 G HN 0.537 nan 8.290 nan 0.000 0.527 81 K N 0.146 120.533 120.400 -0.021 0.000 2.026 81 K HA -0.051 4.269 4.320 0.000 0.000 0.208 81 K C 0.901 177.480 176.600 -0.035 0.000 1.048 81 K CA 1.378 57.648 56.287 -0.029 0.000 0.929 81 K CB -0.055 32.423 32.500 -0.037 0.000 0.713 81 K HN 0.462 nan 8.250 nan 0.000 0.439 82 D N 0.312 120.687 120.400 -0.041 0.000 2.274 82 D HA 0.082 4.723 4.640 0.000 0.000 0.239 82 D C 0.632 176.940 176.300 0.014 0.000 1.104 82 D CA -0.343 53.627 54.000 -0.050 0.000 0.840 82 D CB 1.027 41.771 40.800 -0.092 0.000 1.100 82 D HN 0.063 nan 8.370 nan 0.000 0.477 83 L N 1.448 122.717 121.223 0.078 0.000 2.585 83 L HA 0.392 4.733 4.340 0.000 0.000 0.226 83 L C 0.059 177.044 176.870 0.192 0.000 1.113 83 L CA -0.499 54.410 54.840 0.115 0.000 0.876 83 L CB -0.408 41.708 42.059 0.095 0.000 1.072 83 L HN 0.216 nan 8.230 nan 0.000 0.468 84 Y N 1.830 122.106 120.300 -0.040 0.000 2.511 84 Y HA 0.354 4.904 4.550 0.000 0.000 0.332 84 Y C 0.185 176.072 175.900 -0.022 0.000 1.177 84 Y CA -0.475 57.602 58.100 -0.039 0.000 1.422 84 Y CB 0.453 38.876 38.460 -0.061 0.000 1.271 84 Y HN -0.028 nan 8.280 nan 0.000 0.550 85 L N 2.035 123.306 121.223 0.080 0.000 2.325 85 L HA 0.345 4.685 4.340 0.000 0.000 0.278 85 L C 0.184 177.116 176.870 0.103 0.000 1.023 85 L CA -0.510 54.380 54.840 0.085 0.000 0.811 85 L CB 1.851 43.950 42.059 0.066 0.000 1.249 85 L HN 0.557 nan 8.230 nan 0.000 0.431 86 S N 1.794 117.591 115.700 0.162 0.000 2.510 86 S HA 0.724 5.194 4.470 0.000 0.000 0.279 86 S C -0.252 174.566 174.600 0.363 0.000 1.284 86 S CA -0.250 58.085 58.200 0.225 0.000 1.059 86 S CB 0.125 63.459 63.200 0.223 0.000 0.901 86 S HN 0.752 nan 8.310 nan 0.000 0.491 87 A N 4.356 127.337 122.820 0.268 0.000 2.401 87 A HA 0.748 5.068 4.320 0.000 0.000 0.310 87 A C -1.088 176.608 177.584 0.187 0.000 1.075 87 A CA -0.698 51.439 52.037 0.167 0.000 0.746 87 A CB 0.899 19.902 19.000 0.005 0.000 1.277 87 A HN 0.814 nan 8.150 nan 0.000 0.425 88 F N 1.647 121.491 119.950 -0.178 0.000 2.404 88 F HA 0.750 5.277 4.527 0.000 0.000 0.339 88 F C -0.598 175.102 175.800 -0.167 0.000 1.105 88 F CA -0.828 57.099 58.000 -0.123 0.000 1.087 88 F CB 0.770 39.612 39.000 -0.264 0.000 1.143 88 F HN 0.384 nan 8.300 nan 0.000 0.491 89 I N 7.011 127.062 120.570 -0.864 0.000 2.499 89 I HA 0.512 4.682 4.170 0.000 0.000 0.288 89 I C -1.212 174.484 176.117 -0.701 0.000 1.048 89 I CA -0.906 59.941 61.300 -0.755 0.000 1.062 89 I CB 1.946 39.464 38.000 -0.804 0.000 1.238 89 I HN 0.509 nan 8.210 nan 0.000 0.426 90 V N 1.349 121.000 119.914 -0.438 0.000 3.114 90 V HA 0.607 4.727 4.120 0.000 0.000 0.308 90 V C -1.830 174.257 176.094 -0.012 0.000 1.168 90 V CA -0.897 61.338 62.300 -0.109 0.000 1.015 90 V CB 2.013 33.826 31.823 -0.016 0.000 1.050 90 V HN 0.704 nan 8.190 nan 0.000 0.433 91 W N 2.352 123.809 121.300 0.262 0.000 2.471 91 W HA 0.823 5.483 4.660 0.000 0.000 0.318 91 W C -0.776 176.169 176.519 0.709 0.000 1.034 91 W CA -0.522 57.063 57.345 0.400 0.000 1.224 91 W CB 1.958 31.526 29.460 0.181 0.000 1.335 91 W HN 0.398 nan 8.180 nan 0.000 0.452 92 I N 3.905 125.013 120.570 0.898 0.000 2.441 92 I HA 0.266 4.437 4.170 0.000 0.000 0.295 92 I C -0.910 175.694 176.117 0.811 0.000 0.994 92 I CA -1.549 60.246 61.300 0.825 0.000 1.144 92 I CB 1.133 39.505 38.000 0.621 0.000 1.314 92 I HN 0.349 nan 8.210 nan 0.000 0.445 93 Y N 5.928 126.380 120.300 0.253 0.000 2.377 93 Y HA 0.429 4.979 4.550 0.000 0.000 0.339 93 Y C -0.320 175.643 175.900 0.104 0.000 1.011 93 Y CA -0.470 57.498 58.100 -0.220 0.000 1.093 93 Y CB 1.557 39.238 38.460 -1.299 0.000 1.201 93 Y HN 0.639 nan 8.280 nan 0.000 0.455 94 N N 4.176 122.757 118.700 -0.199 0.000 2.346 94 N HA 0.184 4.924 4.740 0.000 0.000 0.289 94 N C -0.098 175.256 175.510 -0.260 0.000 1.027 94 N CA -0.384 52.562 53.050 -0.172 0.000 0.864 94 N CB 1.388 39.556 38.487 -0.530 0.000 1.370 94 N HN 0.840 nan 8.380 nan 0.000 0.481 95 E N 0.793 121.017 120.200 0.039 0.000 2.170 95 E HA -0.019 4.331 4.350 0.000 0.000 0.191 95 E C -0.033 176.557 176.600 -0.017 0.000 0.981 95 E CA 0.707 57.150 56.400 0.073 0.000 0.830 95 E CB 0.451 30.288 29.700 0.227 0.000 0.775 95 E HN 0.460 nan 8.360 nan 0.000 0.470 96 Q N 1.073 120.839 119.800 -0.057 0.000 2.347 96 Q HA 0.258 4.598 4.340 0.000 0.000 0.265 96 Q C -2.706 173.218 176.000 -0.127 0.000 1.024 96 Q CA -2.278 53.480 55.803 -0.074 0.000 0.731 96 Q CB 1.890 30.592 28.738 -0.060 0.000 1.245 96 Q HN -0.053 nan 8.270 nan 0.000 0.472 97 P HA 0.079 nan 4.420 nan 0.000 0.268 97 P C -1.058 176.173 177.300 -0.115 0.000 1.204 97 P CA 0.234 63.235 63.100 -0.165 0.000 0.768 97 P CB 0.638 32.275 31.700 -0.104 0.000 0.842 98 Q N 1.080 120.806 119.800 -0.122 0.000 2.356 98 Q HA 0.208 4.548 4.340 0.000 0.000 0.270 98 Q C -0.647 175.326 176.000 -0.046 0.000 1.058 98 Q CA -0.679 55.085 55.803 -0.066 0.000 0.802 98 Q CB 1.705 30.417 28.738 -0.044 0.000 1.303 98 Q HN 0.312 nan 8.270 nan 0.000 0.444 99 D N 1.944 122.330 120.400 -0.024 0.000 2.745 99 D HA 0.301 4.941 4.640 0.000 0.000 0.229 99 D C -1.062 175.239 176.300 0.001 0.000 1.088 99 D CA 0.334 54.329 54.000 -0.008 0.000 1.054 99 D CB -0.303 40.495 40.800 -0.003 0.000 1.132 99 D HN 0.583 nan 8.370 nan 0.000 0.464 100 A N 0.093 122.914 122.820 0.003 0.000 2.529 100 A HA 0.894 5.215 4.320 0.000 0.000 0.296 100 A C -1.497 176.107 177.584 0.033 0.000 1.205 100 A CA -0.316 51.731 52.037 0.016 0.000 0.671 100 A CB 1.276 20.284 19.000 0.013 0.000 1.301 100 A HN 0.326 nan 8.150 nan 0.000 0.450 101 A N 0.042 122.890 122.820 0.046 0.000 2.486 101 A HA 0.661 4.981 4.320 0.000 0.000 0.300 101 A C -0.890 176.745 177.584 0.086 0.000 1.048 101 A CA -0.421 51.672 52.037 0.093 0.000 0.696 101 A CB 0.740 19.801 19.000 0.102 0.000 1.278 101 A HN 0.691 nan 8.150 nan 0.000 0.405 102 I N 1.076 121.747 120.570 0.169 0.000 2.581 102 I HA 0.319 4.490 4.170 0.000 0.000 0.288 102 I C 0.356 176.506 176.117 0.056 0.000 1.047 102 I CA 0.070 61.421 61.300 0.085 0.000 1.374 102 I CB 1.425 39.521 38.000 0.160 0.000 1.423 102 I HN 0.819 nan 8.210 nan 0.000 0.549 103 E N 4.210 124.337 120.200 -0.120 0.000 2.158 103 E HA 0.407 4.757 4.350 0.000 0.000 0.271 103 E C -1.495 174.875 176.600 -0.384 0.000 0.911 103 E CA -0.348 55.959 56.400 -0.154 0.000 0.767 103 E CB 0.875 30.499 29.700 -0.127 0.000 1.120 103 E HN 0.194 nan 8.360 nan 0.000 0.405 104 F N 2.851 122.510 119.950 -0.485 0.000 2.405 104 F HA 0.342 4.869 4.527 0.000 0.000 0.355 104 F C 0.515 176.017 175.800 -0.496 0.000 1.121 104 F CA -0.307 57.294 58.000 -0.665 0.000 1.112 104 F CB 1.212 39.489 39.000 -1.205 0.000 1.126 104 F HN 0.322 nan 8.300 nan 0.000 0.481 105 E N 3.763 123.721 120.200 -0.404 0.000 2.222 105 E HA 0.435 4.785 4.350 0.000 0.000 0.267 105 E C -1.491 174.837 176.600 -0.454 0.000 0.884 105 E CA -0.816 55.426 56.400 -0.263 0.000 0.764 105 E CB 2.244 31.817 29.700 -0.212 0.000 1.169 105 E HN 0.324 nan 8.360 nan 0.000 0.413 106 F N 2.463 122.359 119.950 -0.090 0.000 2.477 106 F HA 0.401 4.928 4.527 0.000 0.000 0.335 106 F C -0.735 175.044 175.800 -0.034 0.000 1.130 106 F CA -0.789 57.181 58.000 -0.050 0.000 0.948 106 F CB 0.923 39.927 39.000 0.006 0.000 1.154 106 F HN 0.184 nan 8.300 nan 0.000 0.439 107 L N 3.110 124.390 121.223 0.095 0.000 2.381 107 L HA 0.525 4.865 4.340 0.000 0.000 0.268 107 L C -0.483 176.421 176.870 0.055 0.000 0.997 107 L CA -0.849 54.019 54.840 0.046 0.000 0.818 107 L CB 2.018 44.072 42.059 -0.009 0.000 1.310 107 L HN 0.420 nan 8.230 nan 0.000 0.416 108 K N 2.092 122.518 120.400 0.043 0.000 2.316 108 K HA 0.345 4.665 4.320 0.000 0.000 0.267 108 K C -0.523 176.092 176.600 0.024 0.000 1.025 108 K CA -0.225 56.086 56.287 0.040 0.000 0.896 108 K CB 0.605 33.129 32.500 0.040 0.000 1.124 108 K HN 0.721 nan 8.250 nan 0.000 0.451 109 D N 2.385 122.798 120.400 0.022 0.000 4.565 109 D HA -0.287 4.354 4.640 0.000 0.000 0.225 109 D C 0.958 177.259 176.300 0.003 0.000 0.678 109 D CA 2.416 56.423 54.000 0.012 0.000 1.701 109 D CB -1.049 39.758 40.800 0.012 0.000 1.028 109 D HN 0.702 nan 8.370 nan 0.000 0.400 110 G N 0.344 109.145 108.800 0.002 0.000 2.853 110 G HA2 0.197 4.157 3.960 0.000 0.000 0.202 110 G HA3 0.197 4.157 3.960 0.000 0.000 0.202 110 G C 0.184 175.079 174.900 -0.008 0.000 1.118 110 G CA 0.080 45.177 45.100 -0.006 0.000 0.831 110 G HN 0.329 nan 8.290 nan 0.000 0.613 111 R N 1.386 121.885 120.500 -0.001 0.000 2.441 111 R HA 0.447 4.787 4.340 0.000 0.000 0.284 111 R C 0.101 176.402 176.300 0.003 0.000 1.070 111 R CA -0.522 55.577 56.100 -0.002 0.000 1.047 111 R CB 0.630 30.931 30.300 0.002 0.000 1.016 111 R HN 0.410 nan 8.270 nan 0.000 0.477 112 K N 0.801 121.201 120.400 -0.002 0.000 2.270 112 K HA 0.180 4.500 4.320 0.000 0.000 0.276 112 K C -0.453 176.159 176.600 0.021 0.000 1.023 112 K CA -0.606 55.687 56.287 0.009 0.000 0.955 112 K CB 1.106 33.602 32.500 -0.006 0.000 0.975 112 K HN 0.576 nan 8.250 nan 0.000 0.471 113 C N 1.907 121.231 119.300 0.041 0.000 2.735 113 C HA 0.410 4.870 4.460 0.000 0.000 0.444 113 C C 0.550 175.558 174.990 0.031 0.000 1.331 113 C CA 0.283 59.318 59.018 0.028 0.000 2.225 113 C CB 0.175 27.925 27.740 0.018 0.000 2.917 113 C HN 0.929 nan 8.230 nan 0.000 0.567 114 A N 0.758 123.622 122.820 0.074 0.000 2.414 114 A HA 0.774 5.094 4.320 0.000 0.000 0.306 114 A C -0.506 177.177 177.584 0.165 0.000 1.054 114 A CA 0.022 52.105 52.037 0.077 0.000 0.724 114 A CB 1.141 20.150 19.000 0.014 0.000 1.267 114 A HN 0.584 nan 8.150 nan 0.000 0.418 115 S N 0.189 115.962 115.700 0.122 0.000 2.556 115 S HA 0.890 5.360 4.470 0.000 0.000 0.271 115 S C -0.895 173.796 174.600 0.152 0.000 1.135 115 S CA -0.632 57.640 58.200 0.120 0.000 0.858 115 S CB 1.390 64.603 63.200 0.021 0.000 1.114 115 S HN 1.913 nan 8.310 nan 0.000 0.468 116 F N -0.812 119.178 119.950 0.067 0.000 2.615 116 F HA 0.858 5.385 4.527 0.000 0.000 0.312 116 F C -3.359 172.521 175.800 0.133 0.000 1.119 116 F CA -2.254 55.717 58.000 -0.049 0.000 0.979 116 F CB 1.448 40.442 39.000 -0.009 0.000 1.266 116 F HN 0.460 nan 8.300 nan 0.000 0.444 117 P HA 0.336 nan 4.420 nan 0.000 0.281 117 P C -1.521 176.183 177.300 0.674 0.000 1.249 117 P CA -0.019 63.248 63.100 0.279 0.000 0.810 117 P CB 1.658 33.445 31.700 0.144 0.000 1.008 118 F N 1.156 121.355 119.950 0.415 0.000 2.671 118 F HA 0.507 5.035 4.527 0.000 0.000 0.332 118 F C 0.150 176.160 175.800 0.351 0.000 1.189 118 F CA -0.319 57.978 58.000 0.494 0.000 0.988 118 F CB 1.200 40.612 39.000 0.687 0.000 1.258 118 F HN 0.409 nan 8.300 nan 0.000 0.471 119 G N 5.374 114.099 108.800 -0.125 0.000 2.432 119 G HA2 0.351 4.311 3.960 0.000 0.000 0.239 119 G HA3 0.351 4.311 3.960 0.000 0.000 0.239 119 G C 0.277 175.168 174.900 -0.015 0.000 1.291 119 G CA -0.333 44.727 45.100 -0.066 0.000 0.863 119 G HN 0.916 nan 8.290 nan 0.000 0.560 120 I N -0.716 119.884 120.570 0.050 0.000 3.569 120 I HA 0.308 4.478 4.170 0.000 0.000 0.334 120 I C 0.334 176.257 176.117 -0.322 0.000 1.570 120 I CA -0.744 60.472 61.300 -0.139 0.000 1.082 120 I CB 0.569 38.537 38.000 -0.054 0.000 1.323 120 I HN 0.237 nan 8.210 nan 0.000 0.489 121 N N 3.134 121.784 118.700 -0.083 0.000 3.331 121 N HA 0.298 5.039 4.740 0.000 0.000 0.303 121 N C -0.941 174.591 175.510 0.037 0.000 1.326 121 N CA -0.304 52.711 53.050 -0.057 0.000 1.207 121 N CB -0.110 38.379 38.487 0.002 0.000 1.477 121 N HN 0.539 nan 8.380 nan 0.000 0.541 122 F N -1.541 118.381 119.950 -0.046 0.000 2.686 122 F HA 0.568 5.096 4.527 0.000 0.000 0.311 122 F C -0.870 174.869 175.800 -0.102 0.000 1.128 122 F CA -1.353 56.605 58.000 -0.069 0.000 0.946 122 F CB 1.172 40.129 39.000 -0.071 0.000 1.336 122 F HN -0.198 nan 8.300 nan 0.000 0.457 123 K N 1.873 122.360 120.400 0.145 0.000 2.413 123 K HA 0.678 4.998 4.320 0.000 0.000 0.257 123 K C -0.087 176.461 176.600 -0.087 0.000 0.946 123 K CA 0.068 56.331 56.287 -0.039 0.000 0.823 123 K CB 1.297 33.768 32.500 -0.047 0.000 1.109 123 K HN 1.523 nan 8.250 nan 0.000 0.427 124 G N 3.339 111.849 108.800 -0.484 0.000 2.384 124 G HA2 -0.181 3.779 3.960 0.000 0.000 0.204 124 G HA3 -0.181 3.779 3.960 0.000 0.000 0.204 124 G C -1.725 172.798 174.900 -0.628 0.000 1.237 124 G CA -0.860 43.793 45.100 -0.744 0.000 1.060 124 G HN 0.574 nan 8.290 nan 0.000 0.514 125 W N 1.406 122.656 121.300 -0.084 0.000 2.316 125 W HA 0.757 5.417 4.660 0.000 0.000 0.311 125 W C 0.712 177.328 176.519 0.162 0.000 1.217 125 W CA -0.449 57.034 57.345 0.229 0.000 1.199 125 W CB 1.177 30.809 29.460 0.288 0.000 1.202 125 W HN 0.400 nan 8.180 nan 0.000 0.528 126 R N 2.091 122.826 120.500 0.390 0.000 2.744 126 R HA 0.768 5.108 4.340 0.000 0.000 0.279 126 R C -0.574 175.728 176.300 0.003 0.000 0.977 126 R CA -1.183 54.923 56.100 0.010 0.000 0.906 126 R CB 1.460 31.346 30.300 -0.689 0.000 1.197 126 R HN 0.545 nan 8.270 nan 0.000 0.463 127 A N 0.737 123.239 122.820 -0.530 0.000 2.288 127 A HA 0.911 5.232 4.320 0.000 0.000 0.328 127 A C -1.005 176.453 177.584 -0.210 0.000 1.123 127 A CA -0.424 51.085 52.037 -0.879 0.000 0.861 127 A CB 1.516 19.469 19.000 -1.744 0.000 1.272 127 A HN 0.714 nan 8.150 nan 0.000 0.490 128 A N -0.066 122.673 122.820 -0.136 0.000 2.442 128 A HA 0.557 4.877 4.320 0.000 0.000 0.284 128 A C -2.017 175.608 177.584 0.067 0.000 1.058 128 A CA -0.280 51.762 52.037 0.008 0.000 0.738 128 A CB 0.453 19.518 19.000 0.107 0.000 1.242 128 A HN 0.726 nan 8.150 nan 0.000 0.421 129 W N 2.435 123.554 121.300 -0.302 0.000 2.294 129 W HA 0.572 5.232 4.660 0.000 0.000 0.314 129 W C -0.628 175.710 176.519 -0.302 0.000 1.044 129 W CA -0.930 56.255 57.345 -0.267 0.000 1.284 129 W CB 1.642 30.979 29.460 -0.206 0.000 1.231 129 W HN 0.403 nan 8.180 nan 0.000 0.419 130 V N 3.951 123.770 119.914 -0.158 0.000 2.444 130 V HA 0.271 4.392 4.120 0.000 0.000 0.294 130 V C -0.076 175.880 176.094 -0.229 0.000 1.022 130 V CA -1.064 61.051 62.300 -0.307 0.000 0.850 130 V CB 1.324 32.697 31.823 -0.750 0.000 0.992 130 V HN 0.458 nan 8.190 nan 0.000 0.426 131 C N 4.514 123.734 119.300 -0.133 0.000 2.576 131 C HA 0.249 4.709 4.460 0.000 0.000 0.401 131 C C 1.659 176.607 174.990 -0.069 0.000 1.314 131 C CA -0.272 58.723 59.018 -0.039 0.000 1.855 131 C CB -0.705 27.042 27.740 0.012 0.000 2.537 131 C HN 0.927 nan 8.230 nan 0.000 0.578 132 Y N 1.139 121.388 120.300 -0.085 0.000 2.151 132 Y HA -0.212 4.339 4.550 0.000 0.000 0.284 132 Y C 2.257 178.069 175.900 -0.146 0.000 1.166 132 Y CA 2.085 60.054 58.100 -0.219 0.000 1.163 132 Y CB -0.062 38.142 38.460 -0.427 0.000 0.974 132 Y HN 0.726 nan 8.280 nan 0.000 0.511 133 E N -0.969 119.308 120.200 0.128 0.000 2.122 133 E HA -0.085 4.266 4.350 0.000 0.000 0.190 133 E C 2.223 178.854 176.600 0.052 0.000 0.977 133 E CA 0.431 56.885 56.400 0.091 0.000 0.820 133 E CB 0.038 29.825 29.700 0.145 0.000 0.770 133 E HN 0.297 nan 8.360 nan 0.000 0.462 134 R N 0.575 121.101 120.500 0.044 0.000 2.087 134 R HA -0.007 4.333 4.340 0.000 0.000 0.216 134 R C 0.206 176.526 176.300 0.033 0.000 1.114 134 R CA 0.621 56.739 56.100 0.031 0.000 1.002 134 R CB 0.396 30.708 30.300 0.021 0.000 0.903 134 R HN 0.034 nan 8.270 nan 0.000 0.445 138 G N 0.857 109.652 108.800 -0.008 0.000 2.499 138 G HA2 -0.124 3.836 3.960 0.000 0.000 0.232 138 G HA3 -0.124 3.836 3.960 0.000 0.000 0.232 138 G C -1.034 173.863 174.900 -0.004 0.000 1.251 138 G CA -0.264 44.834 45.100 -0.003 0.000 0.917 138 G HN 0.903 nan 8.290 nan 0.000 0.580 139 T N 3.307 117.857 114.554 -0.006 0.000 2.937 139 T HA 0.652 5.002 4.350 0.000 0.000 0.297 139 T C -2.682 171.994 174.700 -0.041 0.000 0.991 139 T CA -0.350 61.743 62.100 -0.012 0.000 0.990 139 T CB 2.692 71.562 68.868 0.005 0.000 0.991 139 T HN 0.673 nan 8.240 nan 0.000 0.440 140 P HA 0.404 nan 4.420 nan 0.000 0.275 140 P C -0.749 176.454 177.300 -0.161 0.000 1.228 140 P CA -0.401 62.531 63.100 -0.280 0.000 0.786 140 P CB 1.202 32.508 31.700 -0.657 0.000 0.927 141 E N 0.404 120.530 120.200 -0.123 0.000 2.272 141 E HA 0.210 4.560 4.350 0.000 0.000 0.269 141 E C -0.842 175.898 176.600 0.233 0.000 0.877 141 E CA -0.830 55.624 56.400 0.090 0.000 0.755 141 E CB 1.789 31.520 29.700 0.052 0.000 1.192 141 E HN 0.402 nan 8.360 nan 0.000 0.422 142 E N 1.631 122.008 120.200 0.296 0.000 2.406 142 E HA 0.310 4.660 4.350 0.000 0.000 0.258 142 E C 0.083 176.754 176.600 0.119 0.000 1.043 142 E CA 0.998 57.523 56.400 0.209 0.000 0.929 142 E CB 0.128 29.853 29.700 0.042 0.000 0.969 142 E HN 0.715 nan 8.360 nan 0.000 0.462 146 E N 1.258 121.492 120.200 0.057 0.000 2.321 146 E HA 0.405 4.755 4.350 0.000 0.000 0.278 146 E C -2.115 174.435 176.600 -0.085 0.000 0.902 146 E CA -0.804 55.589 56.400 -0.012 0.000 0.758 146 E CB 2.343 32.022 29.700 -0.036 0.000 1.213 146 E HN 0.183 nan 8.360 nan 0.000 0.426 147 L N 4.127 125.244 121.223 -0.177 0.000 2.319 147 L HA 0.548 4.888 4.340 0.000 0.000 0.281 147 L C -1.245 175.389 176.870 -0.395 0.000 1.005 147 L CA -0.217 54.377 54.840 -0.410 0.000 0.828 147 L CB 1.189 43.036 42.059 -0.353 0.000 1.227 147 L HN 0.498 nan 8.230 nan 0.000 0.415 148 R N 5.375 125.597 120.500 -0.463 0.000 2.460 148 R HA 0.643 4.984 4.340 0.000 0.000 0.303 148 R C -1.014 174.957 176.300 -0.548 0.000 0.968 148 R CA -0.584 55.266 56.100 -0.416 0.000 0.889 148 R CB 1.601 31.721 30.300 -0.300 0.000 1.123 148 R HN 0.655 nan 8.270 nan 0.000 0.455 149 I N 3.821 124.023 120.570 -0.614 0.000 2.428 149 I HA 0.196 4.366 4.170 0.000 0.000 0.279 149 I C -0.463 175.334 176.117 -0.532 0.000 1.040 149 I CA -0.778 60.047 61.300 -0.793 0.000 1.171 149 I CB 1.656 39.016 38.000 -1.067 0.000 1.312 149 I HN 0.211 nan 8.210 nan 0.000 0.470 150 V N 5.628 125.321 119.914 -0.367 0.000 2.427 150 V HA 0.375 4.495 4.120 0.000 0.000 0.268 150 V C 0.971 176.982 176.094 -0.137 0.000 1.046 150 V CA -0.417 61.769 62.300 -0.191 0.000 0.970 150 V CB 0.990 32.715 31.823 -0.164 0.000 1.001 150 V HN 0.785 nan 8.190 nan 0.000 0.476 151 A N 9.069 131.830 122.820 -0.100 0.000 2.366 151 A HA 0.654 4.975 4.320 0.000 0.000 0.249 151 A C -1.750 175.713 177.584 -0.202 0.000 1.084 151 A CA -1.094 50.738 52.037 -0.342 0.000 0.794 151 A CB -0.035 18.469 19.000 -0.828 0.000 1.034 151 A HN 0.685 nan 8.150 nan 0.000 0.491 152 P HA 0.085 nan 4.420 nan 0.000 0.286 152 P C -0.407 176.875 177.300 -0.030 0.000 1.293 152 P CA -0.200 62.861 63.100 -0.066 0.000 0.770 152 P CB 0.420 32.103 31.700 -0.030 0.000 1.206 153 D N -0.926 119.468 120.400 -0.010 0.000 2.841 153 D HA 0.356 4.996 4.640 0.000 0.000 0.244 153 D C -0.474 175.834 176.300 0.013 0.000 1.228 153 D CA 0.062 54.062 54.000 0.000 0.000 0.872 153 D CB -1.204 39.594 40.800 -0.004 0.000 1.082 153 D HN 0.405 nan 8.370 nan 0.000 0.457 154 A N 0.475 123.318 122.820 0.038 0.000 2.606 154 A HA 0.514 4.834 4.320 0.000 0.000 0.293 154 A C -0.511 177.135 177.584 0.103 0.000 1.082 154 A CA -1.059 51.005 52.037 0.045 0.000 0.685 154 A CB 1.162 20.179 19.000 0.028 0.000 1.284 154 A HN 0.185 nan 8.150 nan 0.000 0.408 155 K N 0.464 120.869 120.400 0.007 0.000 2.138 155 K HA 0.749 5.069 4.320 0.000 0.000 0.251 155 K C 0.346 176.763 176.600 -0.305 0.000 1.015 155 K CA 0.196 56.410 56.287 -0.121 0.000 0.917 155 K CB 0.970 33.372 32.500 -0.163 0.000 1.021 155 K HN 1.890 nan 8.250 nan 0.000 0.485 156 G N -0.101 108.163 108.800 -0.893 0.000 2.324 156 G HA2 0.224 4.185 3.960 0.000 0.000 0.293 156 G HA3 0.224 4.185 3.960 0.000 0.000 0.293 156 G C -1.851 172.064 174.900 -1.642 0.000 1.297 156 G CA -1.029 43.481 45.100 -0.982 0.000 0.853 156 G HN 0.630 nan 8.290 nan 0.000 0.535 157 R N -0.620 119.350 120.500 -0.884 0.000 2.673 157 R HA 0.770 5.110 4.340 0.000 0.000 0.281 157 R C -1.517 174.647 176.300 -0.227 0.000 0.991 157 R CA -0.753 54.963 56.100 -0.640 0.000 0.896 157 R CB 1.604 31.647 30.300 -0.428 0.000 1.201 157 R HN 0.521 nan 8.270 nan 0.000 0.457 158 L N 3.663 124.818 121.223 -0.113 0.000 2.409 158 L HA 0.563 4.903 4.340 0.000 0.000 0.262 158 L C -1.230 175.663 176.870 0.037 0.000 0.992 158 L CA -0.826 54.100 54.840 0.144 0.000 0.817 158 L CB 2.315 44.610 42.059 0.393 0.000 1.350 158 L HN 0.529 nan 8.230 nan 0.000 0.411 159 F N 2.574 122.692 119.950 0.280 0.000 2.436 159 F HA 0.586 5.113 4.527 0.000 0.000 0.340 159 F C 0.036 176.091 175.800 0.425 0.000 1.113 159 F CA -0.480 57.690 58.000 0.284 0.000 1.022 159 F CB 1.488 40.577 39.000 0.148 0.000 1.128 159 F HN 0.107 nan 8.300 nan 0.000 0.466 160 I N 2.825 123.755 120.570 0.600 0.000 2.433 160 I HA 0.448 4.618 4.170 0.000 0.000 0.292 160 I C -0.919 175.707 176.117 0.848 0.000 1.001 160 I CA -0.434 61.271 61.300 0.674 0.000 1.119 160 I CB 1.836 40.111 38.000 0.459 0.000 1.289 160 I HN 0.511 nan 8.210 nan 0.000 0.438 161 D N 2.313 123.277 120.400 0.940 0.000 2.596 161 D HA 0.287 4.927 4.640 0.000 0.000 0.262 161 D C -0.468 176.213 176.300 0.634 0.000 1.210 161 D CA -0.445 54.042 54.000 0.812 0.000 0.873 161 D CB 1.126 42.325 40.800 0.664 0.000 1.408 161 D HN 0.600 nan 8.370 nan 0.000 0.441 162 H N -0.297 118.959 119.070 0.310 0.000 2.750 162 H HA -0.195 4.361 4.556 0.000 0.000 0.327 162 H C -1.012 174.449 175.328 0.221 0.000 1.199 162 H CA 0.392 56.590 56.048 0.250 0.000 1.149 162 H CB -0.832 29.140 29.762 0.350 0.000 1.543 162 H HN 0.244 nan 8.280 nan 0.000 0.427 163 L N 3.052 124.425 121.223 0.251 0.000 2.255 163 L HA 0.455 4.795 4.340 0.000 0.000 0.289 163 L C -0.349 176.591 176.870 0.117 0.000 1.046 163 L CA -0.671 54.284 54.840 0.193 0.000 0.816 163 L CB 0.366 42.641 42.059 0.359 0.000 1.197 163 L HN 0.306 nan 8.230 nan 0.000 0.427 164 I N 4.362 124.915 120.570 -0.028 0.000 2.330 164 I HA 0.207 4.377 4.170 0.000 0.000 0.289 164 I C 1.419 177.595 176.117 0.098 0.000 1.001 164 I CA -0.339 60.965 61.300 0.007 0.000 1.193 164 I CB 1.866 39.823 38.000 -0.072 0.000 1.345 164 I HN 0.693 nan 8.210 nan 0.000 0.461 165 T N 2.975 117.733 114.554 0.341 0.000 2.595 165 T HA 0.014 4.364 4.350 0.000 0.000 0.264 165 T C 0.733 175.830 174.700 0.661 0.000 1.058 165 T CA 0.855 63.335 62.100 0.633 0.000 1.166 165 T CB 0.033 69.206 68.868 0.508 0.000 0.863 165 T HN 0.673 nan 8.240 nan 0.000 0.415 166 A N -0.273 122.779 122.820 0.387 0.000 2.488 166 A HA 0.672 4.992 4.320 0.000 0.000 0.295 166 A C -0.461 177.217 177.584 0.156 0.000 1.045 166 A CA -0.388 51.858 52.037 0.348 0.000 0.703 166 A CB 1.930 21.084 19.000 0.257 0.000 1.271 166 A HN 0.499 nan 8.150 nan 0.000 0.400 167 T N 1.425 116.048 114.554 0.114 0.000 3.012 167 T HA 0.419 4.769 4.350 0.000 0.000 0.330 167 T C -1.304 173.410 174.700 0.023 0.000 1.321 167 T CA -0.665 61.450 62.100 0.025 0.000 1.067 167 T CB 0.907 69.754 68.868 -0.034 0.000 1.235 167 T HN 0.559 nan 8.240 nan 0.000 0.479 168 K N 2.891 123.302 120.400 0.018 0.000 2.412 168 K HA 0.458 4.779 4.320 0.000 0.000 0.281 168 K C -0.540 176.106 176.600 0.077 0.000 1.027 168 K CA -0.150 56.179 56.287 0.071 0.000 0.989 168 K CB 0.900 33.450 32.500 0.083 0.000 0.935 168 K HN 0.416 nan 8.250 nan 0.000 0.475 169 V N 1.749 121.662 119.914 -0.002 0.000 2.971 169 V HA 0.019 4.139 4.120 0.000 0.000 0.309 169 V C -0.383 175.308 176.094 -0.672 0.000 1.130 169 V CA -1.154 61.010 62.300 -0.227 0.000 0.964 169 V CB 2.253 34.003 31.823 -0.122 0.000 1.029 169 V HN 0.687 nan 8.190 nan 0.000 0.427 170 D N 2.573 122.322 120.400 -1.085 0.000 2.455 170 D HA 0.071 4.712 4.640 0.000 0.000 0.265 170 D C 1.053 177.090 176.300 -0.438 0.000 1.284 170 D CA 0.788 54.168 54.000 -1.033 0.000 0.944 170 D CB 1.492 41.924 40.800 -0.614 0.000 1.121 170 D HN 0.733 nan 8.370 nan 0.000 0.525 171 A N 5.096 127.720 122.820 -0.327 0.000 2.119 171 A HA -0.124 4.196 4.320 0.000 0.000 0.217 171 A C 2.060 179.567 177.584 -0.129 0.000 1.153 171 A CA 0.710 52.655 52.037 -0.153 0.000 0.692 171 A CB -0.035 18.918 19.000 -0.079 0.000 0.799 171 A HN 0.632 nan 8.150 nan 0.000 0.458 172 R N -0.596 119.806 120.500 -0.163 0.000 2.189 172 R HA -0.029 4.311 4.340 0.000 0.000 0.218 172 R C 1.389 177.591 176.300 -0.163 0.000 1.074 172 R CA 1.120 57.132 56.100 -0.147 0.000 0.991 172 R CB 0.016 30.222 30.300 -0.156 0.000 0.883 172 R HN 0.534 nan 8.270 nan 0.000 0.457 173 Q N 0.508 120.196 119.800 -0.187 0.000 2.317 173 Q HA 0.039 4.379 4.340 0.000 0.000 0.220 173 Q C 0.041 175.960 176.000 -0.135 0.000 0.873 173 Q CA 0.193 55.883 55.803 -0.187 0.000 0.936 173 Q CB 0.454 29.029 28.738 -0.272 0.000 1.105 173 Q HN 0.369 nan 8.270 nan 0.000 0.520 174 Q N 1.654 121.386 119.800 -0.114 0.000 2.311 174 Q HA 0.190 4.530 4.340 0.000 0.000 0.272 174 Q C -0.082 175.808 176.000 -0.185 0.000 1.012 174 Q CA 0.400 56.119 55.803 -0.140 0.000 0.891 174 Q CB 0.686 29.394 28.738 -0.049 0.000 1.201 174 Q HN -0.131 nan 8.270 nan 0.000 0.391 175 T N -0.041 114.363 114.554 -0.249 0.000 2.885 175 T HA 0.662 5.012 4.350 0.000 0.000 0.285 175 T C -0.820 173.705 174.700 -0.291 0.000 1.019 175 T CA -0.328 61.622 62.100 -0.249 0.000 1.010 175 T CB 1.322 70.032 68.868 -0.263 0.000 1.022 175 T HN 0.695 nan 8.240 nan 0.000 0.466 176 A N 3.375 126.032 122.820 -0.272 0.000 2.316 176 A HA 0.741 5.062 4.320 0.000 0.000 0.284 176 A C -0.090 177.312 177.584 -0.304 0.000 1.115 176 A CA -0.421 51.408 52.037 -0.346 0.000 0.812 176 A CB 0.358 19.168 19.000 -0.318 0.000 1.064 176 A HN 1.013 nan 8.150 nan 0.000 0.489 177 D N -0.021 120.128 120.400 -0.419 0.000 3.009 177 D HA 0.250 4.890 4.640 0.000 0.000 0.318 177 D C 0.284 176.261 176.300 -0.539 0.000 1.273 177 D CA -0.631 53.181 54.000 -0.314 0.000 1.001 177 D CB -0.114 40.554 40.800 -0.219 0.000 1.411 177 D HN 0.145 nan 8.370 nan 0.000 0.577 178 L N -0.642 120.355 121.223 -0.376 0.000 2.201 178 L HA -0.000 4.340 4.340 0.000 0.000 0.212 178 L C 1.983 178.683 176.870 -0.283 0.000 1.105 178 L CA 1.957 56.624 54.840 -0.288 0.000 0.775 178 L CB -0.875 41.065 42.059 -0.198 0.000 0.913 178 L HN 0.367 nan 8.230 nan 0.000 0.440 179 Q N -1.309 118.272 119.800 -0.366 0.000 2.250 179 Q HA 0.123 4.464 4.340 0.000 0.000 0.200 179 Q C 0.444 176.244 176.000 -0.332 0.000 0.941 179 Q CA 0.887 56.409 55.803 -0.467 0.000 0.872 179 Q CB 0.249 28.481 28.738 -0.843 0.000 0.965 179 Q HN 0.361 nan 8.270 nan 0.000 0.480 180 V N -2.552 117.137 119.914 -0.374 0.000 2.384 180 V HA 0.360 4.480 4.120 0.000 0.000 0.257 180 V C -2.359 173.267 176.094 -0.779 0.000 0.969 180 V CA -1.417 60.557 62.300 -0.543 0.000 0.910 180 V CB 1.067 32.527 31.823 -0.605 0.000 1.150 180 V HN -0.015 nan 8.190 nan 0.000 0.481 181 P HA -0.076 nan 4.420 nan 0.000 0.226 181 P C 1.387 178.518 177.300 -0.281 0.000 1.153 181 P CA 1.018 63.757 63.100 -0.602 0.000 0.777 181 P CB 0.025 31.461 31.700 -0.440 0.000 0.794 182 F N -1.016 118.869 119.950 -0.110 0.000 2.512 182 F HA 0.144 4.671 4.527 0.000 0.000 0.296 182 F C 0.859 176.617 175.800 -0.070 0.000 1.110 182 F CA -0.483 57.487 58.000 -0.050 0.000 1.446 182 F CB -1.722 37.269 39.000 -0.016 0.000 1.092 182 F HN -0.403 nan 8.300 nan 0.000 0.554 183 V N 2.835 122.386 119.914 -0.605 0.000 2.694 183 V HA -0.094 4.027 4.120 0.000 0.000 0.306 183 V C 0.778 176.759 176.094 -0.188 0.000 1.054 183 V CA 0.141 62.207 62.300 -0.391 0.000 1.161 183 V CB -0.182 31.324 31.823 -0.530 0.000 0.916 183 V HN 0.645 nan 8.190 nan 0.000 0.490 184 N N 2.934 121.569 118.700 -0.108 0.000 2.686 184 N HA -0.248 4.492 4.740 0.000 0.000 0.261 184 N C 1.082 176.557 175.510 -0.058 0.000 1.001 184 N CA 0.819 53.822 53.050 -0.078 0.000 0.764 184 N CB -0.566 37.859 38.487 -0.103 0.000 0.898 184 N HN 0.913 nan 8.380 nan 0.000 0.544 185 A N -0.137 122.670 122.820 -0.021 0.000 1.978 185 A HA -0.008 4.312 4.320 0.000 0.000 0.220 185 A C 2.223 179.797 177.584 -0.016 0.000 1.170 185 A CA 1.991 54.027 52.037 -0.002 0.000 0.636 185 A CB -0.573 18.447 19.000 0.033 0.000 0.810 185 A HN 0.611 nan 8.150 nan 0.000 0.448 186 G N -1.464 107.323 108.800 -0.021 0.000 2.464 186 G HA2 0.091 4.051 3.960 0.000 0.000 0.217 186 G HA3 0.091 4.051 3.960 0.000 0.000 0.217 186 G C 0.979 175.855 174.900 -0.040 0.000 1.138 186 G CA 1.023 46.108 45.100 -0.025 0.000 0.793 186 G HN 0.478 nan 8.290 nan 0.000 0.539 187 T N 0.734 115.257 114.554 -0.053 0.000 2.940 187 T HA 0.310 4.660 4.350 0.000 0.000 0.309 187 T C 1.445 176.102 174.700 -0.071 0.000 1.056 187 T CA 1.036 63.098 62.100 -0.063 0.000 1.137 187 T CB 0.718 69.541 68.868 -0.075 0.000 0.976 187 T HN 0.221 nan 8.240 nan 0.000 0.547 188 T N 1.134 115.651 114.554 -0.061 0.000 3.145 188 T HA 0.226 4.576 4.350 0.000 0.000 0.281 188 T C 0.459 175.132 174.700 -0.046 0.000 1.003 188 T CA -0.681 61.385 62.100 -0.057 0.000 0.901 188 T CB -0.188 68.661 68.868 -0.032 0.000 1.112 188 T HN 0.515 nan 8.240 nan 0.000 0.535 189 N N 3.148 121.813 118.700 -0.059 0.000 2.411 189 N HA -0.045 4.695 4.740 0.000 0.000 0.265 189 N C 1.149 176.595 175.510 -0.107 0.000 1.266 189 N CA 0.180 53.190 53.050 -0.068 0.000 0.889 189 N CB 0.640 39.095 38.487 -0.054 0.000 1.069 189 N HN 0.688 nan 8.380 nan 0.000 0.476 190 H N 1.845 120.831 119.070 -0.140 0.000 2.489 190 H HA -0.046 4.510 4.556 0.000 0.000 0.295 190 H C 1.144 176.345 175.328 -0.210 0.000 1.082 190 H CA 1.344 57.262 56.048 -0.217 0.000 1.295 190 H CB -0.391 29.171 29.762 -0.334 0.000 1.380 190 H HN 0.671 nan 8.280 nan 0.000 0.548 191 W N 0.642 121.659 121.300 -0.473 0.000 2.436 191 W HA 0.127 4.787 4.660 0.000 0.000 0.284 191 W C 1.292 177.750 176.519 -0.101 0.000 1.225 191 W CA 0.375 57.591 57.345 -0.215 0.000 1.271 191 W CB 0.247 29.540 29.460 -0.278 0.000 1.114 191 W HN 0.185 nan 8.180 nan 0.000 0.559 192 L N 0.281 121.527 121.223 0.038 0.000 2.640 192 L HA 0.110 4.450 4.340 0.000 0.000 0.230 192 L C 1.270 178.038 176.870 -0.169 0.000 1.123 192 L CA -0.041 54.755 54.840 -0.074 0.000 0.900 192 L CB -0.408 41.604 42.059 -0.077 0.000 1.146 192 L HN -0.162 nan 8.230 nan 0.000 0.484 193 V N -3.204 116.594 119.914 -0.194 0.000 3.337 193 V HA 0.118 4.238 4.120 0.000 0.000 0.343 193 V C 1.767 177.633 176.094 -0.381 0.000 1.302 193 V CA -0.040 62.067 62.300 -0.323 0.000 1.268 193 V CB -0.753 30.780 31.823 -0.483 0.000 1.185 193 V HN 0.304 nan 8.190 nan 0.000 0.447 194 L N -0.642 120.323 121.223 -0.430 0.000 2.012 194 L HA -0.156 4.184 4.340 0.000 0.000 0.210 194 L C 2.492 178.857 176.870 -0.842 0.000 1.073 194 L CA 2.569 56.948 54.840 -0.768 0.000 0.748 194 L CB -0.845 40.520 42.059 -1.157 0.000 0.891 194 L HN 0.562 nan 8.230 nan 0.000 0.431 195 Y N 1.299 121.229 120.300 -0.617 0.000 2.153 195 Y HA -0.262 4.288 4.550 0.000 0.000 0.289 195 Y C 2.739 178.525 175.900 -0.190 0.000 1.127 195 Y CA 1.830 59.770 58.100 -0.267 0.000 1.131 195 Y CB -0.219 38.212 38.460 -0.049 0.000 0.995 195 Y HN -0.071 nan 8.280 nan 0.000 0.505 196 K N -0.527 119.656 120.400 -0.361 0.000 2.044 196 K HA -0.223 4.098 4.320 0.000 0.000 0.210 196 K C 1.890 178.300 176.600 -0.317 0.000 1.049 196 K CA 2.190 58.229 56.287 -0.414 0.000 0.927 196 K CB -0.430 31.843 32.500 -0.379 0.000 0.713 196 K HN 0.425 nan 8.250 nan 0.000 0.443 197 H N -0.824 118.091 119.070 -0.258 0.000 2.548 197 H HA 0.085 4.641 4.556 0.000 0.000 0.268 197 H C 1.911 177.125 175.328 -0.190 0.000 0.975 197 H CA 1.164 57.086 56.048 -0.211 0.000 1.195 197 H CB -0.121 29.515 29.762 -0.209 0.000 1.397 197 H HN 0.351 nan 8.280 nan 0.000 0.572 198 S N 0.148 115.765 115.700 -0.137 0.000 2.481 198 S HA -0.019 4.451 4.470 0.000 0.000 0.231 198 S C 1.916 176.542 174.600 0.043 0.000 0.996 198 S CA 0.319 58.497 58.200 -0.037 0.000 0.942 198 S CB -0.443 62.744 63.200 -0.021 0.000 0.768 198 S HN 0.298 nan 8.310 nan 0.000 0.520 199 L N 0.618 121.801 121.223 -0.067 0.000 2.492 199 L HA 0.288 4.628 4.340 0.000 0.000 0.223 199 L C 0.636 177.512 176.870 0.010 0.000 1.132 199 L CA -0.023 54.787 54.840 -0.050 0.000 0.850 199 L CB -0.443 41.515 42.059 -0.169 0.000 0.966 199 L HN 0.269 nan 8.230 nan 0.000 0.454 200 L N 0.831 122.081 121.223 0.046 0.000 2.485 200 L HA -0.004 4.336 4.340 0.000 0.000 0.275 200 L C 0.130 177.060 176.870 0.100 0.000 1.207 200 L CA 0.670 55.551 54.840 0.067 0.000 0.855 200 L CB 0.191 42.296 42.059 0.077 0.000 1.114 200 L HN 0.086 nan 8.230 nan 0.000 0.485 201 K N 3.572 123.940 120.400 -0.053 0.000 2.267 201 K HA 0.498 4.818 4.320 0.000 0.000 0.246 201 K C -2.371 173.884 176.600 -0.575 0.000 0.954 201 K CA -1.679 54.440 56.287 -0.280 0.000 0.824 201 K CB 1.536 33.922 32.500 -0.190 0.000 1.167 201 K HN 0.325 nan 8.250 nan 0.000 0.431 202 P HA 0.017 nan 4.420 nan 0.000 0.272 202 P C -0.743 176.309 177.300 -0.413 0.000 1.230 202 P CA 0.040 62.545 63.100 -0.991 0.000 0.788 202 P CB 0.790 31.847 31.700 -1.071 0.000 0.949 203 D N 0.173 120.423 120.400 -0.251 0.000 2.457 203 D HA 0.044 4.684 4.640 0.000 0.000 0.254 203 D C 0.708 176.945 176.300 -0.106 0.000 1.097 203 D CA 0.111 54.022 54.000 -0.150 0.000 0.870 203 D CB -0.396 40.339 40.800 -0.107 0.000 1.253 203 D HN 0.270 nan 8.370 nan 0.000 0.500 204 I N 2.288 122.805 120.570 -0.087 0.000 2.668 204 I HA -0.023 4.148 4.170 0.000 0.000 0.285 204 I C 0.747 176.827 176.117 -0.060 0.000 1.168 204 I CA 0.216 61.489 61.300 -0.045 0.000 1.424 204 I CB 0.454 38.454 38.000 -0.001 0.000 1.377 204 I HN -0.138 nan 8.210 nan 0.000 0.560 205 E N 5.417 125.593 120.200 -0.040 0.000 2.398 205 E HA 0.148 4.498 4.350 0.000 0.000 0.263 205 E C -0.368 176.215 176.600 -0.027 0.000 1.046 205 E CA -0.553 55.823 56.400 -0.040 0.000 0.908 205 E CB 1.107 30.790 29.700 -0.027 0.000 0.963 205 E HN 0.412 nan 8.360 nan 0.000 0.431 206 L N 3.036 124.240 121.223 -0.032 0.000 2.410 206 L HA 0.119 4.459 4.340 0.000 0.000 0.273 206 L C -0.123 176.747 176.870 -0.001 0.000 1.152 206 L CA 0.335 55.166 54.840 -0.015 0.000 0.855 206 L CB 0.343 42.389 42.059 -0.022 0.000 1.129 206 L HN 0.602 nan 8.230 nan 0.000 0.463 207 T N 2.692 117.254 114.554 0.013 0.000 2.906 207 T HA 0.656 5.006 4.350 0.000 0.000 0.295 207 T C -2.637 172.077 174.700 0.023 0.000 1.061 207 T CA -1.740 60.370 62.100 0.017 0.000 1.000 207 T CB 1.612 70.493 68.868 0.021 0.000 1.103 207 T HN 0.377 nan 8.240 nan 0.000 0.486 208 P HA 0.309 nan 4.420 nan 0.000 0.273 208 P C -0.654 176.663 177.300 0.028 0.000 1.250 208 P CA -0.490 62.623 63.100 0.023 0.000 0.793 208 P CB 0.448 32.158 31.700 0.018 0.000 1.011 209 V N 1.151 121.083 119.914 0.029 0.000 2.383 209 V HA 0.187 4.307 4.120 0.000 0.000 0.275 209 V C 1.064 177.173 176.094 0.025 0.000 1.036 209 V CA -0.215 62.104 62.300 0.031 0.000 0.889 209 V CB 0.566 32.410 31.823 0.034 0.000 0.985 209 V HN 0.742 nan 8.190 nan 0.000 0.459 210 S N 2.660 118.375 115.700 0.025 0.000 2.652 210 S HA 0.252 4.722 4.470 0.000 0.000 0.270 210 S C 0.711 175.322 174.600 0.019 0.000 1.243 210 S CA -0.659 57.553 58.200 0.020 0.000 0.999 210 S CB 1.166 64.378 63.200 0.020 0.000 0.973 210 S HN 0.650 nan 8.310 nan 0.000 0.544 211 D N 1.155 121.564 120.400 0.015 0.000 2.123 211 D HA -0.086 4.555 4.640 0.000 0.000 0.196 211 D C 1.628 177.935 176.300 0.013 0.000 0.992 211 D CA 1.445 55.453 54.000 0.013 0.000 0.833 211 D CB -0.268 40.539 40.800 0.011 0.000 0.954 211 D HN 0.540 nan 8.370 nan 0.000 0.455 212 K N 0.550 120.959 120.400 0.013 0.000 2.057 212 K HA -0.069 4.251 4.320 0.000 0.000 0.207 212 K C 2.250 178.859 176.600 0.014 0.000 1.049 212 K CA 0.830 57.125 56.287 0.013 0.000 0.931 212 K CB -0.104 32.405 32.500 0.014 0.000 0.714 212 K HN 0.173 nan 8.250 nan 0.000 0.440 213 Q N -0.349 119.463 119.800 0.020 0.000 2.167 213 Q HA -0.073 4.267 4.340 0.000 0.000 0.202 213 Q C 2.131 178.143 176.000 0.020 0.000 0.970 213 Q CA 1.069 56.887 55.803 0.025 0.000 0.855 213 Q CB 0.005 28.764 28.738 0.035 0.000 0.911 213 Q HN 0.197 nan 8.270 nan 0.000 0.438 214 R N 0.602 121.112 120.500 0.018 0.000 2.092 214 R HA -0.127 4.213 4.340 0.000 0.000 0.231 214 R C 2.031 178.336 176.300 0.009 0.000 1.119 214 R CA 1.256 57.365 56.100 0.015 0.000 0.970 214 R CB 0.151 30.460 30.300 0.016 0.000 0.864 214 R HN 0.282 nan 8.270 nan 0.000 0.440 215 Q N -0.052 119.752 119.800 0.007 0.000 2.167 215 Q HA -0.092 4.249 4.340 0.000 0.000 0.202 215 Q C 0.200 176.196 176.000 -0.007 0.000 0.970 215 Q CA 0.957 56.761 55.803 0.002 0.000 0.855 215 Q CB 0.152 28.892 28.738 0.003 0.000 0.911 215 Q HN 0.426 nan 8.270 nan 0.000 0.438 219 L N 1.858 123.070 121.223 -0.018 0.000 2.109 219 L HA 0.154 4.494 4.340 0.000 0.000 0.207 219 L C 1.490 178.326 176.870 -0.057 0.000 1.086 219 L CA 1.615 56.436 54.840 -0.032 0.000 0.760 219 L CB -0.249 41.777 42.059 -0.055 0.000 0.910 219 L HN 0.287 nan 8.230 nan 0.000 0.437 220 L N -0.732 120.426 121.223 -0.109 0.000 2.083 220 L HA -0.222 4.118 4.340 0.000 0.000 0.209 220 L C 2.521 179.373 176.870 -0.029 0.000 1.083 220 L CA 1.679 56.414 54.840 -0.175 0.000 0.752 220 L CB -0.706 41.158 42.059 -0.323 0.000 0.899 220 L HN 0.404 nan 8.230 nan 0.000 0.433 221 E N 0.598 120.836 120.200 0.063 0.000 2.051 221 E HA -0.262 4.088 4.350 0.000 0.000 0.192 221 E C 2.294 179.081 176.600 0.313 0.000 0.991 221 E CA 1.265 57.825 56.400 0.267 0.000 0.799 221 E CB 0.107 29.947 29.700 0.233 0.000 0.748 221 E HN 0.257 nan 8.360 nan 0.000 0.449 222 K N 0.411 120.915 120.400 0.174 0.000 2.026 222 K HA -0.175 4.145 4.320 0.000 0.000 0.208 222 K C 2.233 178.929 176.600 0.161 0.000 1.048 222 K CA 1.227 57.609 56.287 0.158 0.000 0.929 222 K CB -0.003 32.554 32.500 0.096 0.000 0.713 222 K HN 0.008 nan 8.250 nan 0.000 0.439 223 R N -0.500 120.070 120.500 0.118 0.000 2.091 223 R HA -0.166 4.174 4.340 0.000 0.000 0.238 223 R C 2.302 178.717 176.300 0.193 0.000 1.136 223 R CA 1.828 58.010 56.100 0.137 0.000 0.959 223 R CB -0.413 29.879 30.300 -0.015 0.000 0.856 223 R HN 0.232 nan 8.270 nan 0.000 0.437 224 F N 1.455 121.403 119.950 -0.003 0.000 2.163 224 F HA -0.091 4.436 4.527 0.000 0.000 0.297 224 F C 2.535 178.334 175.800 -0.002 0.000 1.094 224 F CA 1.291 59.239 58.000 -0.087 0.000 1.290 224 F CB -0.166 38.642 39.000 -0.320 0.000 1.017 224 F HN -0.185 nan 8.300 nan 0.000 0.483 225 R N 0.462 121.059 120.500 0.162 0.000 2.073 225 R HA -0.128 4.213 4.340 0.000 0.000 0.234 225 R C 0.382 176.777 176.300 0.159 0.000 1.134 225 R CA 1.520 57.779 56.100 0.266 0.000 0.952 225 R CB -0.630 29.925 30.300 0.426 0.000 0.850 225 R HN 0.206 nan 8.270 nan 0.000 0.433 229 Y N 2.041 122.309 120.300 -0.054 0.000 2.519 229 Y HA 0.762 5.312 4.550 0.000 0.000 0.336 229 Y C -1.661 174.242 175.900 0.005 0.000 1.089 229 Y CA -0.300 57.799 58.100 -0.002 0.000 1.025 229 Y CB 2.224 40.701 38.460 0.029 0.000 1.318 229 Y HN 0.058 nan 8.280 nan 0.000 0.452 230 T N 5.751 119.780 114.554 -0.875 0.000 2.886 230 T HA 0.283 4.634 4.350 0.000 0.000 0.292 230 T C -1.167 172.904 174.700 -1.049 0.000 1.012 230 T CA -1.060 60.553 62.100 -0.812 0.000 0.982 230 T CB 1.610 70.280 68.868 -0.330 0.000 1.018 230 T HN 0.628 nan 8.240 nan 0.000 0.451 231 K N 1.865 121.828 120.400 -0.730 0.000 2.504 231 K HA 0.286 4.607 4.320 0.000 0.000 0.278 231 K C 0.371 176.871 176.600 -0.167 0.000 1.025 231 K CA 0.282 56.394 56.287 -0.292 0.000 1.093 231 K CB -0.053 32.406 32.500 -0.070 0.000 0.873 231 K HN 0.861 nan 8.250 nan 0.000 0.483 232 G N 3.439 112.205 108.800 -0.058 0.000 3.135 232 G HA2 0.413 4.373 3.960 0.000 0.000 0.278 232 G HA3 0.413 4.373 3.960 0.000 0.000 0.278 232 G C -1.374 173.535 174.900 0.016 0.000 1.302 232 G CA -0.678 44.408 45.100 -0.023 0.000 0.880 232 G HN 0.498 nan 8.290 nan 0.000 0.574 233 K N -0.509 119.901 120.400 0.015 0.000 2.207 233 K HA 0.546 4.866 4.320 0.000 0.000 0.255 233 K C -1.263 175.353 176.600 0.027 0.000 0.941 233 K CA -0.757 55.540 56.287 0.018 0.000 0.825 233 K CB 2.836 35.341 32.500 0.008 0.000 1.119 233 K HN 0.251 nan 8.250 nan 0.000 0.430 234 V N 3.809 123.738 119.914 0.025 0.000 2.334 234 V HA 0.131 4.251 4.120 0.000 0.000 0.267 234 V C -0.286 175.821 176.094 0.021 0.000 1.040 234 V CA -0.182 62.136 62.300 0.029 0.000 0.866 234 V CB 0.438 32.279 31.823 0.029 0.000 1.019 234 V HN 0.886 nan 8.190 nan 0.000 0.468 235 T N 2.339 116.907 114.554 0.023 0.000 2.868 235 T HA 0.282 4.633 4.350 0.000 0.000 0.292 235 T C 1.017 175.729 174.700 0.019 0.000 1.028 235 T CA -0.332 61.779 62.100 0.019 0.000 1.059 235 T CB 1.175 70.054 68.868 0.019 0.000 0.991 235 T HN 0.722 nan 8.240 nan 0.000 0.531 236 E N 0.210 120.419 120.200 0.016 0.000 2.160 236 E HA -0.172 4.178 4.350 0.000 0.000 0.195 236 E C 2.085 178.696 176.600 0.019 0.000 0.991 236 E CA 0.841 57.251 56.400 0.016 0.000 0.810 236 E CB -0.008 29.700 29.700 0.013 0.000 0.742 236 E HN 0.616 nan 8.360 nan 0.000 0.466 237 K N 0.974 121.386 120.400 0.020 0.000 2.057 237 K HA -0.212 4.108 4.320 0.000 0.000 0.206 237 K C 2.116 178.732 176.600 0.027 0.000 1.050 237 K CA 1.381 57.681 56.287 0.022 0.000 0.935 237 K CB 0.058 32.570 32.500 0.020 0.000 0.715 237 K HN -0.059 nan 8.250 nan 0.000 0.439 238 E N 0.634 120.852 120.200 0.030 0.000 2.085 238 E HA -0.163 4.187 4.350 0.000 0.000 0.194 238 E C 1.588 178.211 176.600 0.039 0.000 0.994 238 E CA 1.669 58.092 56.400 0.037 0.000 0.801 238 E CB -0.201 29.523 29.700 0.040 0.000 0.743 238 E HN 0.339 nan 8.360 nan 0.000 0.453 239 A N 0.703 123.543 122.820 0.033 0.000 1.930 239 A HA -0.148 4.172 4.320 0.000 0.000 0.217 239 A C 2.121 179.725 177.584 0.033 0.000 1.175 239 A CA 1.498 53.554 52.037 0.031 0.000 0.627 239 A CB -0.525 18.490 19.000 0.024 0.000 0.815 239 A HN 0.225 nan 8.150 nan 0.000 0.443 240 E N -0.201 120.018 120.200 0.031 0.000 2.077 240 E HA -0.122 4.228 4.350 0.000 0.000 0.193 240 E C 2.169 178.791 176.600 0.037 0.000 0.989 240 E CA 1.747 58.166 56.400 0.031 0.000 0.800 240 E CB -0.739 28.976 29.700 0.025 0.000 0.746 240 E HN 0.609 nan 8.360 nan 0.000 0.452 241 T N 1.723 116.299 114.554 0.037 0.000 2.746 241 T HA -0.106 4.244 4.350 0.000 0.000 0.267 241 T C 2.145 176.878 174.700 0.055 0.000 1.039 241 T CA 0.924 63.049 62.100 0.041 0.000 1.142 241 T CB -0.216 68.677 68.868 0.041 0.000 0.866 241 T HN 0.104 nan 8.240 nan 0.000 0.444 242 I N 0.608 121.213 120.570 0.059 0.000 2.179 242 I HA -0.208 3.962 4.170 0.000 0.000 0.242 242 I C 2.818 178.997 176.117 0.103 0.000 1.088 242 I CA 1.415 62.759 61.300 0.074 0.000 1.357 242 I CB -0.238 37.795 38.000 0.054 0.000 1.051 242 I HN 0.124 nan 8.210 nan 0.000 0.409 243 R N 0.454 121.006 120.500 0.086 0.000 2.081 243 R HA -0.198 4.142 4.340 0.000 0.000 0.235 243 R C 2.368 178.745 176.300 0.128 0.000 1.131 243 R CA 1.397 57.569 56.100 0.120 0.000 0.960 243 R CB -0.285 30.063 30.300 0.080 0.000 0.856 243 R HN 0.257 nan 8.270 nan 0.000 0.436 244 K N 0.708 121.152 120.400 0.073 0.000 2.057 244 K HA -0.138 4.182 4.320 0.000 0.000 0.207 244 K C 1.802 178.410 176.600 0.013 0.000 1.049 244 K CA 1.206 57.514 56.287 0.035 0.000 0.931 244 K CB 0.157 32.668 32.500 0.018 0.000 0.714 244 K HN -0.038 nan 8.250 nan 0.000 0.440 245 K N -0.057 120.366 120.400 0.039 0.000 2.057 245 K HA -0.182 4.138 4.320 0.000 0.000 0.207 245 K C 2.109 178.733 176.600 0.041 0.000 1.049 245 K CA 1.259 57.555 56.287 0.015 0.000 0.931 245 K CB -0.424 32.123 32.500 0.078 0.000 0.714 245 K HN 0.299 nan 8.250 nan 0.000 0.440 246 Y N 2.422 122.740 120.300 0.030 0.000 2.263 246 Y HA -0.150 4.400 4.550 0.000 0.000 0.292 246 Y C 1.569 177.504 175.900 0.059 0.000 1.130 246 Y CA 1.391 59.548 58.100 0.095 0.000 1.179 246 Y CB -0.083 38.410 38.460 0.054 0.000 0.998 246 Y HN 0.048 nan 8.280 nan 0.000 0.532 247 D N 0.460 120.817 120.400 -0.071 0.000 2.178 247 D HA -0.172 4.468 4.640 0.000 0.000 0.201 247 D C 2.122 178.290 176.300 -0.219 0.000 0.980 247 D CA 1.423 55.326 54.000 -0.160 0.000 0.842 247 D CB -0.317 40.464 40.800 -0.032 0.000 0.948 247 D HN 0.429 nan 8.370 nan 0.000 0.472 248 L N -0.482 120.586 121.223 -0.257 0.000 2.275 248 L HA -0.134 4.206 4.340 0.000 0.000 0.215 248 L C 1.842 178.499 176.870 -0.356 0.000 1.119 248 L CA 0.716 55.366 54.840 -0.317 0.000 0.790 248 L CB -0.344 41.474 42.059 -0.401 0.000 0.919 248 L HN 0.104 nan 8.230 nan 0.000 0.443 249 Y N -0.416 119.764 120.300 -0.201 0.000 2.519 249 Y HA -0.039 4.511 4.550 0.000 0.000 0.287 249 Y C 0.937 176.675 175.900 -0.270 0.000 1.128 249 Y CA -0.237 57.745 58.100 -0.195 0.000 1.282 249 Y CB -0.016 38.329 38.460 -0.191 0.000 1.027 249 Y HN 0.172 nan 8.280 nan 0.000 0.551 250 Q N 0.306 119.992 119.800 -0.190 0.000 2.451 250 Q HA -0.235 4.106 4.340 0.000 0.000 0.305 250 Q C -0.603 175.263 176.000 -0.223 0.000 1.345 250 Q CA 0.402 56.097 55.803 -0.179 0.000 0.854 250 Q CB -2.221 26.460 28.738 -0.094 0.000 1.162 250 Q HN 0.531 nan 8.270 nan 0.000 0.440 251 I N 0.707 121.080 120.570 -0.329 0.000 2.517 251 I HA 0.083 4.253 4.170 0.000 0.000 0.285 251 I C 0.819 176.818 176.117 -0.197 0.000 1.106 251 I CA 0.800 61.887 61.300 -0.355 0.000 1.402 251 I CB 0.889 38.705 38.000 -0.307 0.000 1.399 251 I HN 0.097 nan 8.210 nan 0.000 0.535 252 T N 5.179 119.583 114.554 -0.250 0.000 2.864 252 T HA 0.578 4.928 4.350 0.000 0.000 0.299 252 T C -1.366 173.175 174.700 -0.266 0.000 1.166 252 T CA -0.469 61.568 62.100 -0.106 0.000 1.007 252 T CB 0.965 69.818 68.868 -0.026 0.000 1.219 252 T HN 0.237 nan 8.240 nan 0.000 0.506 253 Y N 1.446 121.753 120.300 0.012 0.000 2.409 253 Y HA 0.663 5.213 4.550 0.000 0.000 0.343 253 Y C 0.379 176.282 175.900 0.005 0.000 0.973 253 Y CA -0.925 57.186 58.100 0.018 0.000 1.064 253 Y CB 1.814 40.293 38.460 0.032 0.000 1.207 253 Y HN 0.205 nan 8.280 nan 0.000 0.452 254 K N 2.800 123.269 120.400 0.116 0.000 2.613 254 K HA 0.185 4.505 4.320 0.000 0.000 0.248 254 K C -1.224 175.407 176.600 0.053 0.000 0.959 254 K CA -0.493 55.826 56.287 0.053 0.000 0.855 254 K CB 1.541 34.030 32.500 -0.019 0.000 1.143 254 K HN 0.765 nan 8.250 nan 0.000 0.437 255 D N 2.197 122.634 120.400 0.062 0.000 2.708 255 D HA -0.214 4.426 4.640 0.000 0.000 0.236 255 D C 0.868 177.215 176.300 0.079 0.000 1.146 255 D CA 1.873 55.907 54.000 0.057 0.000 0.662 255 D CB -1.038 39.784 40.800 0.038 0.000 1.059 255 D HN 1.063 nan 8.370 nan 0.000 0.428 256 G N -1.387 107.481 108.800 0.114 0.000 2.268 256 G HA2 -0.330 3.630 3.960 0.000 0.000 0.240 256 G HA3 -0.330 3.630 3.960 0.000 0.000 0.240 256 G C 0.191 175.211 174.900 0.199 0.000 1.010 256 G CA 0.275 45.461 45.100 0.143 0.000 0.618 256 G HN 0.409 nan 8.290 nan 0.000 0.516 257 Q N 0.614 120.507 119.800 0.154 0.000 2.293 257 Q HA 0.552 4.893 4.340 0.000 0.000 0.251 257 Q C 0.266 176.309 176.000 0.072 0.000 0.930 257 Q CA -0.230 55.657 55.803 0.140 0.000 0.893 257 Q CB 2.145 30.932 28.738 0.081 0.000 1.215 257 Q HN 0.386 nan 8.270 nan 0.000 0.425 258 V N 1.701 121.634 119.914 0.031 0.000 2.427 258 V HA 0.586 4.706 4.120 0.000 0.000 0.286 258 V C 0.272 176.305 176.094 -0.101 0.000 1.034 258 V CA -0.477 61.700 62.300 -0.204 0.000 0.893 258 V CB 1.273 32.995 31.823 -0.167 0.000 0.982 258 V HN 0.931 nan 8.190 nan 0.000 0.452 259 S N 2.504 118.084 115.700 -0.201 0.000 2.651 259 S HA 1.030 5.500 4.470 0.000 0.000 0.279 259 S C -0.363 174.084 174.600 -0.256 0.000 1.148 259 S CA -0.060 58.051 58.200 -0.148 0.000 0.837 259 S CB 2.331 65.439 63.200 -0.152 0.000 1.138 259 S HN 1.688 nan 8.310 nan 0.000 0.478 260 G N -0.321 108.324 108.800 -0.259 0.000 2.321 260 G HA2 0.425 4.385 3.960 0.000 0.000 0.296 260 G HA3 0.425 4.385 3.960 0.000 0.000 0.296 260 G C -1.458 173.415 174.900 -0.044 0.000 1.287 260 G CA -0.277 44.625 45.100 -0.330 0.000 0.846 260 G HN 1.254 nan 8.290 nan 0.000 0.508 261 V N 3.210 123.140 119.914 0.027 0.000 2.493 261 V HA 0.228 4.348 4.120 0.000 0.000 0.292 261 V C -1.396 174.800 176.094 0.170 0.000 1.016 261 V CA -0.297 62.105 62.300 0.170 0.000 1.097 261 V CB 0.728 32.656 31.823 0.175 0.000 0.947 261 V HN 0.552 nan 8.190 nan 0.000 0.479 262 P HA 0.101 nan 4.420 nan 0.000 0.268 262 P C -0.594 176.532 177.300 -0.290 0.000 1.204 262 P CA 0.274 63.211 63.100 -0.273 0.000 0.768 262 P CB 1.291 32.809 31.700 -0.303 0.000 0.842 263 V N 4.996 124.549 119.914 -0.602 0.000 2.448 263 V HA 0.552 4.672 4.120 0.000 0.000 0.295 263 V C -1.022 174.620 176.094 -0.754 0.000 1.025 263 V CA -0.575 61.431 62.300 -0.490 0.000 0.859 263 V CB 0.408 31.895 31.823 -0.561 0.000 0.988 263 V HN 0.288 nan 8.190 nan 0.000 0.431 267 R N 1.673 122.215 120.500 0.070 0.000 2.328 267 R HA 0.333 4.673 4.340 0.000 0.000 0.207 267 R C 1.970 178.381 176.300 0.184 0.000 1.056 267 R CA 1.264 57.414 56.100 0.083 0.000 1.016 267 R CB -0.694 29.538 30.300 -0.114 0.000 0.872 267 R HN 0.689 nan 8.270 nan 0.000 0.471 268 A N 0.140 123.080 122.820 0.200 0.000 2.125 268 A HA -0.161 4.160 4.320 0.000 0.000 0.219 268 A C 1.942 179.684 177.584 0.264 0.000 1.156 268 A CA 1.590 53.815 52.037 0.313 0.000 0.671 268 A CB -0.591 18.625 19.000 0.361 0.000 0.794 268 A HN 0.415 nan 8.150 nan 0.000 0.459 269 S N -0.183 115.676 115.700 0.266 0.000 2.474 269 S HA -0.123 4.348 4.470 0.000 0.000 0.235 269 S C 1.315 176.206 174.600 0.485 0.000 0.997 269 S CA 1.088 59.519 58.200 0.384 0.000 0.949 269 S CB -0.388 63.046 63.200 0.391 0.000 0.766 269 S HN 0.684 nan 8.310 nan 0.000 0.517 270 E N 1.339 121.803 120.200 0.440 0.000 2.409 270 E HA 0.035 4.386 4.350 0.000 0.000 0.198 270 E C 2.152 178.762 176.600 0.017 0.000 1.024 270 E CA 0.652 57.233 56.400 0.302 0.000 0.861 270 E CB -0.325 29.575 29.700 0.333 0.000 0.788 270 E HN 0.773 nan 8.360 nan 0.000 0.521 271 A N 0.522 123.235 122.820 -0.178 0.000 1.930 271 A HA -0.163 4.157 4.320 0.000 0.000 0.217 271 A C 1.439 178.781 177.584 -0.405 0.000 1.175 271 A CA 1.042 52.717 52.037 -0.603 0.000 0.627 271 A CB -0.572 17.845 19.000 -0.972 0.000 0.815 271 A HN 0.353 nan 8.150 nan 0.000 0.443 272 Y N -0.582 119.742 120.300 0.040 0.000 2.466 272 Y HA 0.198 4.748 4.550 0.000 0.000 0.272 272 Y C 1.943 177.763 175.900 -0.133 0.000 1.169 272 Y CA 0.276 58.397 58.100 0.035 0.000 1.285 272 Y CB -0.227 38.337 38.460 0.174 0.000 1.078 272 Y HN 0.430 nan 8.280 nan 0.000 0.523 273 E N 1.018 120.975 120.200 -0.405 0.000 2.070 273 E HA -0.164 4.187 4.350 0.000 0.000 0.197 273 E C 0.995 177.273 176.600 -0.537 0.000 1.004 273 E CA 0.878 56.567 56.400 -1.186 0.000 0.805 273 E CB 0.288 29.299 29.700 -1.148 0.000 0.744 273 E HN 0.239 nan 8.360 nan 0.000 0.451 277 P HA -0.014 nan 4.420 nan 0.000 0.218 277 P C -0.019 177.336 177.300 0.091 0.000 1.148 277 P CA 1.119 64.256 63.100 0.061 0.000 0.822 277 P CB 0.138 31.855 31.700 0.030 0.000 0.784 278 D N -1.365 119.094 120.400 0.098 0.000 3.123 278 D HA 0.062 4.702 4.640 0.000 0.000 0.305 278 D C -0.549 175.832 176.300 0.136 0.000 1.373 278 D CA -0.595 53.462 54.000 0.094 0.000 0.889 278 D CB -0.412 40.412 40.800 0.040 0.000 1.070 278 D HN 0.095 nan 8.370 nan 0.000 0.494 279 W N 2.006 123.317 121.300 0.018 0.000 2.295 279 W HA 0.041 4.702 4.660 0.000 0.000 0.335 279 W C 0.057 176.600 176.519 0.040 0.000 1.351 279 W CA 0.196 57.565 57.345 0.040 0.000 1.273 279 W CB 0.488 29.986 29.460 0.063 0.000 1.214 279 W HN -0.026 nan 8.180 nan 0.000 0.563 280 D N 5.512 125.501 120.400 -0.686 0.000 2.492 280 D HA 0.084 4.724 4.640 0.000 0.000 0.248 280 D C 1.093 176.659 176.300 -1.224 0.000 1.101 280 D CA -0.463 53.102 54.000 -0.724 0.000 0.840 280 D CB 1.447 42.039 40.800 -0.347 0.000 1.209 280 D HN 0.587 nan 8.370 nan 0.000 0.524 281 K N 2.126 121.769 120.400 -1.261 0.000 2.211 281 K HA -0.084 4.236 4.320 0.000 0.000 0.204 281 K C -0.154 176.219 176.600 -0.378 0.000 1.047 281 K CA 0.723 56.443 56.287 -0.945 0.000 0.935 281 K CB 0.205 32.447 32.500 -0.429 0.000 0.728 281 K HN 0.291 nan 8.250 nan 0.000 0.452 285 T N 0.530 115.110 114.554 0.044 0.000 2.821 285 T HA -0.012 4.338 4.350 0.000 0.000 0.267 285 T C 1.077 175.799 174.700 0.036 0.000 1.046 285 T CA 0.923 63.058 62.100 0.058 0.000 1.139 285 T CB -0.018 68.886 68.868 0.059 0.000 0.871 285 T HN 0.012 nan 8.240 nan 0.000 0.454 289 I N 0.441 121.093 120.570 0.138 0.000 4.082 289 I HA 0.302 4.472 4.170 0.000 0.000 0.337 289 I C 1.093 177.325 176.117 0.191 0.000 1.352 289 I CA 0.049 61.467 61.300 0.195 0.000 1.097 289 I CB 0.664 38.776 38.000 0.188 0.000 1.048 289 I HN 0.120 nan 8.210 nan 0.000 0.393 293 A N 0.507 123.420 122.820 0.154 0.000 1.940 293 A HA -0.200 4.120 4.320 0.000 0.000 0.219 293 A C 1.784 179.467 177.584 0.166 0.000 1.176 293 A CA 1.703 53.841 52.037 0.167 0.000 0.631 293 A CB -0.714 18.402 19.000 0.194 0.000 0.814 293 A HN 0.466 nan 8.150 nan 0.000 0.446 294 Y N -0.919 119.368 120.300 -0.021 0.000 2.089 294 Y HA -0.204 4.346 4.550 0.000 0.000 0.282 294 Y C 2.024 177.759 175.900 -0.275 0.000 1.139 294 Y CA 2.306 60.227 58.100 -0.299 0.000 1.123 294 Y CB -0.357 37.732 38.460 -0.618 0.000 0.980 294 Y HN 0.308 nan 8.280 nan 0.000 0.493 295 F N 0.114 120.159 119.950 0.159 0.000 2.293 295 F HA -0.182 4.345 4.527 0.000 0.000 0.300 295 F C 1.990 177.827 175.800 0.062 0.000 1.086 295 F CA 1.132 59.184 58.000 0.087 0.000 1.375 295 F CB -0.339 38.663 39.000 0.004 0.000 1.045 295 F HN 0.089 nan 8.300 nan 0.000 0.516 296 D N 0.345 120.866 120.400 0.203 0.000 2.117 296 D HA -0.092 4.548 4.640 0.000 0.000 0.198 296 D C 1.464 177.836 176.300 0.120 0.000 0.982 296 D CA 0.632 54.718 54.000 0.143 0.000 0.828 296 D CB -0.202 40.663 40.800 0.109 0.000 0.967 296 D HN 0.092 nan 8.370 nan 0.000 0.464 300 R N 1.575 122.173 120.500 0.163 0.000 2.103 300 R HA 0.066 4.406 4.340 0.000 0.000 0.242 300 R C 1.866 178.245 176.300 0.132 0.000 1.142 300 R CA 2.327 58.507 56.100 0.133 0.000 0.960 300 R CB -0.368 29.998 30.300 0.110 0.000 0.858 300 R HN 0.418 nan 8.270 nan 0.000 0.439 301 I N -0.056 120.604 120.570 0.151 0.000 2.353 301 I HA -0.161 4.009 4.170 0.000 0.000 0.248 301 I C 2.356 178.561 176.117 0.146 0.000 1.119 301 I CA 1.064 62.453 61.300 0.148 0.000 1.417 301 I CB -0.372 37.723 38.000 0.158 0.000 1.078 301 I HN 0.301 nan 8.210 nan 0.000 0.421 302 A N 0.518 123.432 122.820 0.156 0.000 1.902 302 A HA -0.152 4.168 4.320 0.000 0.000 0.217 302 A C 2.434 180.022 177.584 0.006 0.000 1.181 302 A CA 1.734 53.755 52.037 -0.028 0.000 0.623 302 A CB -0.924 18.059 19.000 -0.029 0.000 0.818 302 A HN 0.238 nan 8.150 nan 0.000 0.443 303 V N -0.238 119.718 119.914 0.071 0.000 2.358 303 V HA -0.228 3.892 4.120 0.000 0.000 0.246 303 V C 3.046 179.209 176.094 0.115 0.000 1.047 303 V CA 1.877 64.236 62.300 0.098 0.000 1.035 303 V CB -1.186 30.750 31.823 0.187 0.000 0.658 303 V HN 0.615 nan 8.190 nan 0.000 0.452 304 A N -0.888 121.998 122.820 0.111 0.000 1.933 304 A HA -0.274 4.046 4.320 0.000 0.000 0.218 304 A C 2.154 179.784 177.584 0.077 0.000 1.175 304 A CA 2.071 54.163 52.037 0.092 0.000 0.628 304 A CB -0.767 18.282 19.000 0.082 0.000 0.814 304 A HN 0.686 nan 8.150 nan 0.000 0.444 305 Y N 1.232 121.504 120.300 -0.047 0.000 2.145 305 Y HA -0.192 4.358 4.550 0.000 0.000 0.286 305 Y C 2.152 177.997 175.900 -0.091 0.000 1.145 305 Y CA 2.122 60.172 58.100 -0.083 0.000 1.148 305 Y CB -0.245 38.128 38.460 -0.144 0.000 0.981 305 Y HN 0.349 nan 8.280 nan 0.000 0.507 306 N N 0.429 119.095 118.700 -0.057 0.000 2.459 306 N HA -0.133 4.607 4.740 0.000 0.000 0.181 306 N C 0.384 175.867 175.510 -0.045 0.000 1.046 306 N CA 1.100 54.048 53.050 -0.170 0.000 0.904 306 N CB -0.367 37.894 38.487 -0.377 0.000 0.964 306 N HN 0.603 nan 8.380 nan 0.000 0.444 307 N N -0.139 118.576 118.700 0.025 0.000 2.276 307 N HA 0.090 4.830 4.740 0.000 0.000 0.212 307 N C -0.698 174.802 175.510 -0.017 0.000 1.127 307 N CA -0.169 52.919 53.050 0.064 0.000 0.834 307 N CB 0.530 39.085 38.487 0.113 0.000 1.014 307 N HN -0.067 nan 8.380 nan 0.000 0.491 308 S N 0.193 115.831 115.700 -0.103 0.000 2.532 308 S HA 0.166 4.636 4.470 0.000 0.000 0.301 308 S C -0.373 174.137 174.600 -0.151 0.000 1.083 308 S CA -0.780 57.350 58.200 -0.117 0.000 1.025 308 S CB 2.498 65.620 63.200 -0.131 0.000 1.056 308 S HN 0.151 nan 8.310 nan 0.000 0.494 309 E N 1.602 121.742 120.200 -0.100 0.000 2.360 309 E HA 0.324 4.674 4.350 0.000 0.000 0.269 309 E C -0.054 176.479 176.600 -0.112 0.000 1.022 309 E CA -0.453 55.893 56.400 -0.091 0.000 0.887 309 E CB 0.635 30.302 29.700 -0.055 0.000 0.990 309 E HN 0.736 nan 8.360 nan 0.000 0.426 310 A N 2.977 125.731 122.820 -0.110 0.000 2.545 310 A HA 0.355 4.675 4.320 0.000 0.000 0.253 310 A C 1.115 178.660 177.584 -0.065 0.000 1.074 310 A CA 0.780 52.756 52.037 -0.103 0.000 0.760 310 A CB -0.338 18.613 19.000 -0.081 0.000 1.005 310 A HN 0.916 nan 8.150 nan 0.000 0.506 311 G N 1.750 110.517 108.800 -0.055 0.000 2.175 311 G HA2 -0.164 3.796 3.960 0.000 0.000 0.244 311 G HA3 -0.164 3.796 3.960 0.000 0.000 0.244 311 G C 0.524 175.407 174.900 -0.028 0.000 0.982 311 G CA 0.637 45.718 45.100 -0.032 0.000 0.641 311 G HN 2.091 nan 8.290 nan 0.000 0.527 312 S N 0.532 116.208 115.700 -0.039 0.000 2.601 312 S HA 0.649 5.119 4.470 0.000 0.000 0.271 312 S C -0.421 174.168 174.600 -0.020 0.000 1.305 312 S CA -0.486 57.696 58.200 -0.030 0.000 1.022 312 S CB 2.287 65.464 63.200 -0.038 0.000 0.940 312 S HN 0.099 nan 8.310 nan 0.000 0.525 313 P HA -0.084 nan 4.420 nan 0.000 0.218 313 P C 1.490 178.790 177.300 0.000 0.000 1.149 313 P CA 0.746 63.844 63.100 -0.003 0.000 0.817 313 P CB 0.016 31.716 31.700 -0.001 0.000 0.785 314 I N -0.586 119.981 120.570 -0.005 0.000 2.353 314 I HA -0.160 4.010 4.170 0.000 0.000 0.248 314 I C 2.847 178.968 176.117 0.006 0.000 1.119 314 I CA 1.002 62.302 61.300 -0.001 0.000 1.417 314 I CB -0.082 37.915 38.000 -0.005 0.000 1.078 314 I HN -0.225 nan 8.210 nan 0.000 0.421 315 R N 0.690 121.179 120.500 -0.019 0.000 2.081 315 R HA -0.243 4.098 4.340 0.000 0.000 0.235 315 R C 2.290 178.644 176.300 0.089 0.000 1.131 315 R CA 1.635 57.718 56.100 -0.028 0.000 0.960 315 R CB -0.117 30.087 30.300 -0.159 0.000 0.856 315 R HN 0.072 nan 8.270 nan 0.000 0.436 316 K N 1.027 121.457 120.400 0.050 0.000 2.097 316 K HA -0.104 4.217 4.320 0.000 0.000 0.206 316 K C 0.649 177.278 176.600 0.048 0.000 1.049 316 K CA 1.142 57.464 56.287 0.059 0.000 0.933 316 K CB -0.119 32.397 32.500 0.027 0.000 0.717 316 K HN 0.244 nan 8.250 nan 0.000 0.442 320 R N 1.948 122.460 120.500 0.019 0.000 2.073 320 R HA -0.021 4.319 4.340 0.000 0.000 0.234 320 R C 1.421 177.722 176.300 0.001 0.000 1.134 320 R CA 1.710 57.818 56.100 0.013 0.000 0.952 320 R CB -0.044 30.256 30.300 0.001 0.000 0.850 320 R HN 0.201 nan 8.270 nan 0.000 0.433 321 K N -0.621 119.720 120.400 -0.098 0.000 2.057 321 K HA -0.162 4.158 4.320 0.000 0.000 0.207 321 K C 2.058 178.617 176.600 -0.067 0.000 1.049 321 K CA 1.476 57.586 56.287 -0.295 0.000 0.931 321 K CB -0.352 31.823 32.500 -0.543 0.000 0.714 321 K HN 0.118 nan 8.250 nan 0.000 0.440 322 F N 1.994 121.881 119.950 -0.104 0.000 2.102 322 F HA -0.174 4.353 4.527 0.000 0.000 0.298 322 F C 1.866 177.687 175.800 0.035 0.000 1.105 322 F CA 1.313 59.286 58.000 -0.044 0.000 1.239 322 F CB -0.147 38.789 39.000 -0.108 0.000 0.991 322 F HN -0.118 nan 8.300 nan 0.000 0.474 323 L N -0.031 121.310 121.223 0.198 0.000 2.093 323 L HA -0.058 4.282 4.340 0.000 0.000 0.208 323 L C 1.954 178.945 176.870 0.201 0.000 1.085 323 L CA 0.393 55.336 54.840 0.171 0.000 0.755 323 L CB -1.317 40.822 42.059 0.133 0.000 0.904 323 L HN 0.194 nan 8.230 nan 0.000 0.435 327 D N 0.511 120.982 120.400 0.118 0.000 2.104 327 D HA -0.197 4.444 4.640 0.000 0.000 0.194 327 D C 1.922 178.217 176.300 -0.009 0.000 0.994 327 D CA 2.090 56.136 54.000 0.077 0.000 0.830 327 D CB -0.487 40.456 40.800 0.239 0.000 0.959 327 D HN 0.644 nan 8.370 nan 0.000 0.452 328 H N -0.012 119.010 119.070 -0.080 0.000 2.326 328 H HA -0.076 4.480 4.556 0.000 0.000 0.301 328 H C 2.132 177.329 175.328 -0.218 0.000 1.081 328 H CA 0.665 56.633 56.048 -0.132 0.000 1.334 328 H CB 0.037 29.738 29.762 -0.102 0.000 1.385 328 H HN 0.017 nan 8.280 nan 0.000 0.504 329 I N 1.220 121.568 120.570 -0.369 0.000 2.394 329 I HA -0.174 3.996 4.170 0.000 0.000 0.251 329 I C 1.994 177.896 176.117 -0.359 0.000 1.136 329 I CA 1.099 62.057 61.300 -0.570 0.000 1.425 329 I CB -0.911 36.726 38.000 -0.606 0.000 1.079 329 I HN 0.300 nan 8.210 nan 0.000 0.425 330 T N -0.180 114.186 114.554 -0.312 0.000 2.777 330 T HA -0.192 4.158 4.350 0.000 0.000 0.266 330 T C 1.579 176.206 174.700 -0.123 0.000 1.040 330 T CA 1.671 63.636 62.100 -0.225 0.000 1.141 330 T CB -0.284 68.351 68.868 -0.389 0.000 0.868 330 T HN 0.309 nan 8.240 nan 0.000 0.444 331 D N 0.566 120.888 120.400 -0.131 0.000 2.178 331 D HA -0.096 4.544 4.640 0.000 0.000 0.201 331 D C 2.293 178.615 176.300 0.036 0.000 0.980 331 D CA 0.754 54.734 54.000 -0.033 0.000 0.842 331 D CB 0.010 40.826 40.800 0.027 0.000 0.948 331 D HN 0.142 nan 8.370 nan 0.000 0.472 332 Q N -0.897 118.806 119.800 -0.163 0.000 2.297 332 Q HA 0.070 4.410 4.340 0.000 0.000 0.204 332 Q C 1.477 177.451 176.000 -0.044 0.000 0.962 332 Q CA 1.359 57.026 55.803 -0.228 0.000 0.879 332 Q CB 0.751 29.088 28.738 -0.668 0.000 0.947 332 Q HN 0.472 nan 8.270 nan 0.000 0.462 333 G N -0.721 108.107 108.800 0.046 0.000 2.273 333 G HA2 -0.173 3.787 3.960 0.000 0.000 0.162 333 G HA3 -0.173 3.787 3.960 0.000 0.000 0.162 333 G C -0.075 175.074 174.900 0.416 0.000 1.006 333 G CA -0.128 45.127 45.100 0.259 0.000 0.704 333 G HN 0.133 nan 8.290 nan 0.000 0.487 334 V N 1.767 121.828 119.914 0.245 0.000 2.326 334 V HA 0.655 4.775 4.120 0.000 0.000 0.249 334 V C 0.700 177.037 176.094 0.405 0.000 1.114 334 V CA 0.998 63.552 62.300 0.422 0.000 1.028 334 V CB -0.065 31.873 31.823 0.192 0.000 1.170 334 V HN 1.301 nan 8.190 nan 0.000 0.494 335 A N 4.081 127.185 122.820 0.472 0.000 2.586 335 A HA 0.632 4.952 4.320 0.000 0.000 0.290 335 A C -1.221 176.293 177.584 -0.117 0.000 1.086 335 A CA -0.741 51.429 52.037 0.221 0.000 0.665 335 A CB 0.687 19.746 19.000 0.098 0.000 1.279 335 A HN 0.486 nan 8.150 nan 0.000 0.423 336 Y N 0.980 121.099 120.300 -0.301 0.000 2.717 336 Y HA 0.332 4.882 4.550 0.000 0.000 0.330 336 Y C 1.456 176.676 175.900 -1.134 0.000 1.217 336 Y CA 2.042 59.708 58.100 -0.723 0.000 1.506 336 Y CB 0.444 38.722 38.460 -0.303 0.000 1.268 336 Y HN 2.115 nan 8.280 nan 0.000 0.561 337 G N 3.365 110.481 108.800 -2.807 0.000 2.160 337 G HA2 -0.252 3.708 3.960 0.000 0.000 0.244 337 G HA3 -0.252 3.708 3.960 0.000 0.000 0.244 337 G C -0.188 174.077 174.900 -1.058 0.000 1.022 337 G CA 0.315 44.230 45.100 -1.977 0.000 0.741 337 G HN 0.893 nan 8.290 nan 0.000 0.508 338 S N -1.630 113.477 115.700 -0.989 0.000 2.594 338 S HA 0.577 5.048 4.470 0.000 0.000 0.296 338 S C 0.520 174.891 174.600 -0.381 0.000 1.124 338 S CA 0.094 58.041 58.200 -0.421 0.000 1.011 338 S CB 1.227 64.329 63.200 -0.163 0.000 1.016 338 S HN 0.685 nan 8.310 nan 0.000 0.485 339 C N 4.410 123.421 119.300 -0.482 0.000 3.525 339 C HA 0.354 4.814 4.460 0.000 0.000 0.289 339 C C 0.085 174.636 174.990 -0.732 0.000 1.496 339 C CA -0.679 57.880 59.018 -0.765 0.000 1.804 339 C CB -1.242 26.231 27.740 -0.445 0.000 2.708 339 C HN 1.022 nan 8.230 nan 0.000 0.642 340 W N 0.365 121.555 121.300 -0.184 0.000 4.233 340 W HA -0.237 4.423 4.660 0.000 0.000 0.328 340 W C 1.128 177.317 176.519 -0.551 0.000 1.212 340 W CA 1.110 58.286 57.345 -0.283 0.000 0.752 340 W CB -2.250 27.218 29.460 0.014 0.000 2.277 340 W HN 0.723 nan 8.180 nan 0.000 1.465 341 G N 0.434 108.958 108.800 -0.461 0.000 2.377 341 G HA2 -0.393 3.567 3.960 0.000 0.000 0.250 341 G HA3 -0.393 3.567 3.960 0.000 0.000 0.250 341 G C 0.050 174.388 174.900 -0.936 0.000 1.039 341 G CA 1.170 45.841 45.100 -0.715 0.000 0.625 341 G HN 0.724 nan 8.290 nan 0.000 0.526 342 N N -1.133 117.023 118.700 -0.906 0.000 2.542 342 N HA 0.590 5.330 4.740 0.000 0.000 0.288 342 N C -0.119 175.228 175.510 -0.271 0.000 1.115 342 N CA -0.571 52.077 53.050 -0.670 0.000 0.924 342 N CB 1.069 38.878 38.487 -1.130 0.000 1.526 342 N HN 0.136 nan 8.380 nan 0.000 0.515 343 I N 2.574 123.044 120.570 -0.168 0.000 4.225 343 I HA 0.157 4.327 4.170 0.000 0.000 0.327 343 I C -0.094 176.045 176.117 0.036 0.000 1.422 343 I CA -0.453 60.783 61.300 -0.106 0.000 1.150 343 I CB -0.123 37.621 38.000 -0.426 0.000 1.192 343 I HN 0.695 nan 8.210 nan 0.000 0.440 344 H N -0.541 118.485 119.070 -0.074 0.000 3.004 344 H HA 0.124 4.681 4.556 0.000 0.000 0.316 344 H C 0.124 175.236 175.328 -0.359 0.000 1.014 344 H CA 0.488 56.418 56.048 -0.196 0.000 1.454 344 H CB 0.005 29.701 29.762 -0.110 0.000 1.472 344 H HN 0.350 nan 8.280 nan 0.000 0.571 345 H N 0.853 119.096 119.070 -1.377 0.000 2.903 345 H HA -0.264 4.292 4.556 0.000 0.000 0.285 345 H C 0.118 175.007 175.328 -0.731 0.000 1.231 345 H CA 1.070 56.170 56.048 -1.580 0.000 1.135 345 H CB -2.395 26.827 29.762 -0.900 0.000 1.328 345 H HN 0.869 nan 8.280 nan 0.000 0.388 346 Y N -2.251 117.803 120.300 -0.411 0.000 2.439 346 Y HA 0.119 4.670 4.550 0.000 0.000 0.292 346 Y C 2.149 178.106 175.900 0.094 0.000 1.130 346 Y CA 0.714 58.808 58.100 -0.009 0.000 1.254 346 Y CB -0.577 37.975 38.460 0.153 0.000 1.000 346 Y HN 0.196 nan 8.280 nan 0.000 0.554 347 G N 0.834 109.345 108.800 -0.481 0.000 2.574 347 G HA2 -0.433 3.527 3.960 0.000 0.000 0.220 347 G HA3 -0.433 3.527 3.960 0.000 0.000 0.220 347 G C 1.552 176.490 174.900 0.063 0.000 1.173 347 G CA 1.508 46.526 45.100 -0.137 0.000 0.772 347 G HN 0.612 nan 8.290 nan 0.000 0.585 348 Y N 1.692 121.995 120.300 0.005 0.000 2.242 348 Y HA -0.045 4.505 4.550 0.000 0.000 0.291 348 Y C 2.997 178.933 175.900 0.061 0.000 1.137 348 Y CA 1.713 59.846 58.100 0.055 0.000 1.181 348 Y CB -0.127 38.365 38.460 0.053 0.000 0.989 348 Y HN 0.215 nan 8.280 nan 0.000 0.527 349 S N -1.117 114.595 115.700 0.020 0.000 2.453 349 S HA -0.054 4.416 4.470 0.000 0.000 0.231 349 S C 1.506 176.065 174.600 -0.068 0.000 1.005 349 S CA 1.135 59.328 58.200 -0.011 0.000 0.949 349 S CB -0.082 63.189 63.200 0.119 0.000 0.774 349 S HN 0.271 nan 8.310 nan 0.000 0.510 350 V N 0.857 120.692 119.914 -0.132 0.000 3.483 350 V HA 0.235 4.355 4.120 0.000 0.000 0.301 350 V C 1.818 177.748 176.094 -0.273 0.000 1.389 350 V CA 0.086 62.156 62.300 -0.382 0.000 1.101 350 V CB -0.005 31.697 31.823 -0.202 0.000 0.971 350 V HN 0.185 nan 8.190 nan 0.000 0.434 351 R N 1.490 121.930 120.500 -0.101 0.000 2.105 351 R HA -0.118 4.222 4.340 0.000 0.000 0.239 351 R C 2.219 178.554 176.300 0.059 0.000 1.135 351 R CA 1.899 58.024 56.100 0.040 0.000 0.967 351 R CB -0.615 29.687 30.300 0.002 0.000 0.861 351 R HN 0.499 nan 8.270 nan 0.000 0.442 352 G N 0.211 109.012 108.800 0.003 0.000 2.448 352 G HA2 -0.216 3.745 3.960 0.000 0.000 0.218 352 G HA3 -0.216 3.745 3.960 0.000 0.000 0.218 352 G C 1.237 176.175 174.900 0.062 0.000 1.135 352 G CA 0.546 45.708 45.100 0.104 0.000 0.784 352 G HN 0.306 nan 8.290 nan 0.000 0.543 353 L N 0.113 121.163 121.223 -0.288 0.000 1.978 353 L HA -0.176 4.164 4.340 0.000 0.000 0.218 353 L C 2.661 179.300 176.870 -0.385 0.000 1.075 353 L CA 1.928 56.419 54.840 -0.582 0.000 0.767 353 L CB -0.800 40.465 42.059 -1.324 0.000 0.890 353 L HN 0.381 nan 8.230 nan 0.000 0.434 354 Y N -0.428 119.861 120.300 -0.019 0.000 2.114 354 Y HA -0.103 4.447 4.550 0.000 0.000 0.284 354 Y C -0.144 175.927 175.900 0.286 0.000 1.143 354 Y CA 1.482 59.662 58.100 0.134 0.000 1.135 354 Y CB -2.265 36.278 38.460 0.139 0.000 0.980 354 Y HN 0.303 nan 8.280 nan 0.000 0.499 355 P HA -0.108 nan 4.420 nan 0.000 0.219 355 P C 1.325 178.850 177.300 0.376 0.000 1.150 355 P CA 1.975 65.288 63.100 0.354 0.000 0.814 355 P CB -0.111 31.726 31.700 0.228 0.000 0.787 356 A N -1.254 121.799 122.820 0.388 0.000 1.902 356 A HA -0.218 4.102 4.320 0.000 0.000 0.217 356 A C 2.000 179.973 177.584 0.649 0.000 1.181 356 A CA 1.452 53.791 52.037 0.504 0.000 0.623 356 A CB -1.801 17.559 19.000 0.599 0.000 0.818 356 A HN 0.091 nan 8.150 nan 0.000 0.443 357 Y N -1.817 118.727 120.300 0.405 0.000 2.286 357 Y HA -0.028 4.522 4.550 0.000 0.000 0.293 357 Y C 2.081 178.125 175.900 0.240 0.000 1.124 357 Y CA 0.284 58.608 58.100 0.374 0.000 1.178 357 Y CB -1.023 37.657 38.460 0.366 0.000 1.010 357 Y HN 0.443 nan 8.280 nan 0.000 0.536 358 F N 0.051 120.204 119.950 0.338 0.000 2.113 358 F HA -0.053 4.474 4.527 0.000 0.000 0.297 358 F C 1.078 176.935 175.800 0.096 0.000 1.103 358 F CA 0.661 58.802 58.000 0.235 0.000 1.248 358 F CB -0.494 38.720 39.000 0.356 0.000 0.999 358 F HN -0.194 nan 8.300 nan 0.000 0.475 362 D N 1.598 121.874 120.400 -0.206 0.000 2.144 362 D HA -0.130 4.510 4.640 0.000 0.000 0.199 362 D C 1.744 177.957 176.300 -0.146 0.000 0.984 362 D CA 1.632 55.546 54.000 -0.143 0.000 0.834 362 D CB 0.070 40.807 40.800 -0.106 0.000 0.955 362 D HN 0.185 nan 8.370 nan 0.000 0.465 363 V N 0.555 120.344 119.914 -0.210 0.000 2.427 363 V HA -0.181 3.940 4.120 0.000 0.000 0.248 363 V C 2.153 178.123 176.094 -0.208 0.000 1.051 363 V CA 1.120 63.285 62.300 -0.225 0.000 1.048 363 V CB -0.278 31.315 31.823 -0.383 0.000 0.666 363 V HN 0.000 nan 8.190 nan 0.000 0.456 364 L N 0.591 121.668 121.223 -0.244 0.000 2.083 364 L HA -0.070 4.271 4.340 0.000 0.000 0.209 364 L C 2.712 179.490 176.870 -0.153 0.000 1.083 364 L CA 2.349 57.045 54.840 -0.239 0.000 0.752 364 L CB -1.354 40.533 42.059 -0.287 0.000 0.899 364 L HN 0.413 nan 8.230 nan 0.000 0.433 365 R N -0.181 120.246 120.500 -0.121 0.000 2.075 365 R HA -0.159 4.181 4.340 0.000 0.000 0.232 365 R C 2.104 178.367 176.300 -0.062 0.000 1.126 365 R CA 1.428 57.482 56.100 -0.076 0.000 0.963 365 R CB -0.053 30.208 30.300 -0.065 0.000 0.858 365 R HN 0.404 nan 8.270 nan 0.000 0.435 366 E N -0.046 120.112 120.200 -0.071 0.000 2.118 366 E HA -0.216 4.135 4.350 0.000 0.000 0.195 366 E C 1.488 178.060 176.600 -0.046 0.000 0.992 366 E CA 1.343 57.711 56.400 -0.053 0.000 0.804 366 E CB 0.057 29.724 29.700 -0.055 0.000 0.741 366 E HN 0.253 nan 8.360 nan 0.000 0.458 367 E N -0.876 119.288 120.200 -0.061 0.000 2.489 367 E HA 0.057 4.407 4.350 0.000 0.000 0.193 367 E C 0.638 177.223 176.600 -0.026 0.000 1.057 367 E CA 0.545 56.919 56.400 -0.044 0.000 0.866 367 E CB 0.482 30.147 29.700 -0.059 0.000 0.916 367 E HN 0.311 nan 8.360 nan 0.000 0.500 368 G N 1.103 109.884 108.800 -0.030 0.000 2.176 368 G HA2 -0.357 3.604 3.960 0.000 0.000 0.252 368 G HA3 -0.357 3.604 3.960 0.000 0.000 0.252 368 G C 0.724 175.625 174.900 0.001 0.000 1.024 368 G CA 0.686 45.780 45.100 -0.011 0.000 0.755 368 G HN 0.334 nan 8.290 nan 0.000 0.507 369 K N -1.085 119.299 120.400 -0.026 0.000 2.413 369 K HA 0.375 4.695 4.320 0.000 0.000 0.204 369 K C 2.024 178.610 176.600 -0.022 0.000 1.041 369 K CA -0.072 56.214 56.287 -0.003 0.000 1.082 369 K CB 0.351 32.832 32.500 -0.032 0.000 0.871 369 K HN 0.239 nan 8.250 nan 0.000 0.535 370 L N 1.426 122.627 121.223 -0.038 0.000 2.027 370 L HA -0.079 4.262 4.340 0.000 0.000 0.206 370 L C 1.801 178.697 176.870 0.043 0.000 1.074 370 L CA 1.553 56.381 54.840 -0.020 0.000 0.745 370 L CB -0.342 41.698 42.059 -0.032 0.000 0.898 370 L HN 0.221 nan 8.230 nan 0.000 0.433 371 L N -0.558 120.690 121.223 0.041 0.000 2.042 371 L HA -0.254 4.086 4.340 0.000 0.000 0.210 371 L C 2.544 179.463 176.870 0.081 0.000 1.076 371 L CA 1.970 56.840 54.840 0.051 0.000 0.749 371 L CB -0.434 41.643 42.059 0.030 0.000 0.893 371 L HN 0.513 nan 8.230 nan 0.000 0.432 372 E N -0.304 119.958 120.200 0.104 0.000 2.033 372 E HA -0.315 4.035 4.350 0.000 0.000 0.199 372 E C 2.101 178.851 176.600 0.250 0.000 1.011 372 E CA 1.454 57.950 56.400 0.160 0.000 0.815 372 E CB -0.247 29.572 29.700 0.197 0.000 0.755 372 E HN 0.642 nan 8.360 nan 0.000 0.451 373 A N 1.376 124.367 122.820 0.285 0.000 1.892 373 A HA -0.294 4.026 4.320 0.000 0.000 0.218 373 A C 2.120 179.934 177.584 0.384 0.000 1.188 373 A CA 1.965 54.237 52.037 0.391 0.000 0.631 373 A CB -0.816 18.292 19.000 0.180 0.000 0.822 373 A HN 0.536 nan 8.150 nan 0.000 0.447 374 E N -0.183 120.165 120.200 0.248 0.000 2.049 374 E HA -0.274 4.076 4.350 0.000 0.000 0.198 374 E C 2.263 178.999 176.600 0.226 0.000 1.007 374 E CA 1.567 58.091 56.400 0.207 0.000 0.809 374 E CB -0.181 29.589 29.700 0.118 0.000 0.749 374 E HN 0.638 nan 8.360 nan 0.000 0.450 375 R N -0.268 120.357 120.500 0.208 0.000 2.096 375 R HA -0.105 4.235 4.340 0.000 0.000 0.235 375 R C 2.796 179.366 176.300 0.449 0.000 1.127 375 R CA 1.809 58.054 56.100 0.243 0.000 0.968 375 R CB -0.562 29.762 30.300 0.040 0.000 0.861 375 R HN 0.388 nan 8.270 nan 0.000 0.440 376 T N -0.290 114.516 114.554 0.419 0.000 2.777 376 T HA -0.055 4.295 4.350 0.000 0.000 0.266 376 T C 1.993 177.011 174.700 0.530 0.000 1.040 376 T CA 0.847 63.231 62.100 0.473 0.000 1.141 376 T CB -0.202 68.977 68.868 0.518 0.000 0.868 376 T HN 0.107 nan 8.240 nan 0.000 0.444 377 L N 0.126 121.628 121.223 0.466 0.000 2.046 377 L HA -0.001 4.339 4.340 0.000 0.000 0.208 377 L C 3.381 180.504 176.870 0.422 0.000 1.077 377 L CA 1.520 56.642 54.840 0.470 0.000 0.747 377 L CB -0.574 41.753 42.059 0.447 0.000 0.896 377 L HN 0.242 nan 8.230 nan 0.000 0.432 378 R N -0.625 120.055 120.500 0.300 0.000 2.105 378 R HA -0.228 4.112 4.340 0.000 0.000 0.239 378 R C 2.172 178.596 176.300 0.206 0.000 1.135 378 R CA 1.785 57.996 56.100 0.185 0.000 0.967 378 R CB -0.422 29.961 30.300 0.138 0.000 0.861 378 R HN 0.566 nan 8.270 nan 0.000 0.442 379 W N 0.690 122.021 121.300 0.050 0.000 2.354 379 W HA -0.228 4.432 4.660 0.000 0.000 0.315 379 W C 1.163 177.530 176.519 -0.254 0.000 1.206 379 W CA 1.401 58.591 57.345 -0.259 0.000 1.290 379 W CB -0.458 28.654 29.460 -0.581 0.000 1.152 379 W HN 0.097 nan 8.180 nan 0.000 0.489 380 Y N 0.456 120.851 120.300 0.158 0.000 2.516 380 Y HA 0.056 4.606 4.550 0.000 0.000 0.291 380 Y C 2.568 178.654 175.900 0.311 0.000 1.131 380 Y CA 1.151 59.335 58.100 0.140 0.000 1.281 380 Y CB -0.645 37.978 38.460 0.272 0.000 1.013 380 Y HN -0.022 nan 8.280 nan 0.000 0.554 381 A N 0.067 123.105 122.820 0.363 0.000 2.218 381 A HA 0.176 4.496 4.320 0.000 0.000 0.209 381 A C 0.973 178.547 177.584 -0.016 0.000 1.168 381 A CA 0.021 52.143 52.037 0.142 0.000 0.804 381 A CB -0.968 18.016 19.000 -0.026 0.000 0.834 381 A HN 0.487 nan 8.150 nan 0.000 0.482 382 I N 0.063 120.588 120.570 -0.076 0.000 6.822 382 I HA -0.297 3.873 4.170 0.000 0.000 0.126 382 I C 1.062 177.065 176.117 -0.192 0.000 1.756 382 I CA 0.471 61.664 61.300 -0.177 0.000 2.250 382 I CB -2.669 35.230 38.000 -0.167 0.000 3.407 382 I HN 0.197 nan 8.210 nan 0.000 0.229 383 T N -0.391 114.074 114.554 -0.149 0.000 2.833 383 T HA -0.154 4.196 4.350 0.000 0.000 0.269 383 T C 1.482 176.048 174.700 -0.224 0.000 1.054 383 T CA 2.003 63.994 62.100 -0.181 0.000 1.135 383 T CB -0.242 68.524 68.868 -0.170 0.000 0.869 383 T HN 0.562 nan 8.240 nan 0.000 0.466 384 N N 1.171 119.767 118.700 -0.174 0.000 2.443 384 N HA -0.043 4.697 4.740 0.000 0.000 0.184 384 N C 1.587 176.921 175.510 -0.293 0.000 1.037 384 N CA 0.519 53.413 53.050 -0.260 0.000 0.896 384 N CB -0.205 38.274 38.487 -0.012 0.000 0.959 384 N HN 0.525 nan 8.380 nan 0.000 0.442 385 E N -0.397 119.597 120.200 -0.343 0.000 2.401 385 E HA -0.077 4.273 4.350 0.000 0.000 0.199 385 E C 1.151 177.425 176.600 -0.544 0.000 1.023 385 E CA 0.205 56.335 56.400 -0.449 0.000 0.859 385 E CB 0.128 29.539 29.700 -0.483 0.000 0.780 385 E HN 0.129 nan 8.360 nan 0.000 0.523 386 V N -0.100 119.471 119.914 -0.571 0.000 3.406 386 V HA -0.128 3.992 4.120 0.000 0.000 0.263 386 V C 1.258 177.214 176.094 -0.231 0.000 1.172 386 V CA 0.843 62.792 62.300 -0.584 0.000 1.140 386 V CB -0.273 31.255 31.823 -0.492 0.000 0.784 386 V HN 0.371 nan 8.190 nan 0.000 0.467 387 Y N 0.889 121.070 120.300 -0.198 0.000 2.133 387 Y HA -0.031 4.519 4.550 0.000 0.000 0.287 387 Y C -0.772 175.039 175.900 -0.148 0.000 1.134 387 Y CA 0.001 58.002 58.100 -0.164 0.000 1.133 387 Y CB -1.154 37.203 38.460 -0.171 0.000 0.987 387 Y HN 0.330 nan 8.280 nan 0.000 0.502 388 P HA -0.072 nan 4.420 nan 0.000 0.266 388 P C -0.630 176.630 177.300 -0.067 0.000 1.193 388 P CA 0.392 63.458 63.100 -0.057 0.000 0.770 388 P CB 0.437 32.074 31.700 -0.105 0.000 0.836 389 K N 4.114 124.461 120.400 -0.088 0.000 2.383 389 K HA 0.189 4.510 4.320 0.000 0.000 0.286 389 K C -2.082 174.413 176.600 -0.176 0.000 1.051 389 K CA -1.548 54.660 56.287 -0.132 0.000 0.974 389 K CB -0.411 32.011 32.500 -0.130 0.000 0.968 389 K HN 0.317 nan 8.250 nan 0.000 0.475 390 P HA -0.018 nan 4.420 nan 0.000 0.264 390 P C -0.498 176.637 177.300 -0.274 0.000 1.193 390 P CA 0.175 63.124 63.100 -0.251 0.000 0.763 390 P CB 0.769 32.262 31.700 -0.345 0.000 0.810 391 E N 0.940 121.043 120.200 -0.161 0.000 2.216 391 E HA 0.103 4.453 4.350 0.000 0.000 0.192 391 E C 1.116 177.657 176.600 -0.098 0.000 0.988 391 E CA 0.550 56.878 56.400 -0.121 0.000 0.834 391 E CB 0.115 29.767 29.700 -0.079 0.000 0.772 391 E HN 0.646 nan 8.360 nan 0.000 0.479 392 G N -0.204 108.547 108.800 -0.083 0.000 2.706 392 G HA2 0.265 4.225 3.960 0.000 0.000 0.307 392 G HA3 0.265 4.225 3.960 0.000 0.000 0.307 392 G C -1.437 173.494 174.900 0.052 0.000 1.307 392 G CA -0.958 44.134 45.100 -0.013 0.000 0.790 392 G HN -0.019 nan 8.290 nan 0.000 0.503 393 N N -0.147 118.599 118.700 0.076 0.000 2.530 393 N HA 0.482 5.222 4.740 0.000 0.000 0.277 393 N C 0.301 175.810 175.510 -0.002 0.000 1.168 393 N CA 0.738 53.836 53.050 0.081 0.000 0.979 393 N CB 1.183 39.692 38.487 0.037 0.000 1.141 393 N HN 1.303 nan 8.380 nan 0.000 0.459 394 G N 0.609 109.399 108.800 -0.017 0.000 2.721 394 G HA2 -0.107 3.853 3.960 0.000 0.000 0.686 394 G HA3 -0.107 3.853 3.960 0.000 0.000 0.686 394 G C -0.677 174.137 174.900 -0.144 0.000 1.236 394 G CA -0.548 44.499 45.100 -0.088 0.000 0.786 394 G HN 0.681 nan 8.290 nan 0.000 0.616 395 I N -1.857 118.569 120.570 -0.239 0.000 3.145 395 I HA 0.755 4.925 4.170 0.000 0.000 0.313 395 I C 0.181 176.137 176.117 -0.270 0.000 1.122 395 I CA -1.418 59.704 61.300 -0.297 0.000 0.987 395 I CB 1.962 39.661 38.000 -0.503 0.000 1.236 395 I HN 0.580 nan 8.210 nan 0.000 0.453 399 S N -0.351 115.260 115.700 -0.147 0.000 2.348 399 S HA -0.031 4.439 4.470 0.000 0.000 0.221 399 S C 1.652 176.201 174.600 -0.086 0.000 1.033 399 S CA 1.002 59.114 58.200 -0.148 0.000 1.010 399 S CB -0.424 62.635 63.200 -0.235 0.000 0.891 399 S HN 0.316 nan 8.310 nan 0.000 0.442 400 F N 1.958 121.852 119.950 -0.094 0.000 2.161 400 F HA -0.165 4.362 4.527 0.000 0.000 0.300 400 F C 2.431 178.233 175.800 0.003 0.000 1.089 400 F CA 1.044 58.996 58.000 -0.079 0.000 1.282 400 F CB -0.318 38.626 39.000 -0.094 0.000 1.010 400 F HN 0.219 nan 8.300 nan 0.000 0.485 401 N N -0.366 118.441 118.700 0.178 0.000 2.331 401 N HA -0.133 4.607 4.740 0.000 0.000 0.180 401 N C 1.451 177.041 175.510 0.133 0.000 1.019 401 N CA 1.927 55.060 53.050 0.139 0.000 0.881 401 N CB -0.030 38.513 38.487 0.092 0.000 0.972 401 N HN 0.311 nan 8.380 nan 0.000 0.435 402 T N -5.076 109.543 114.554 0.108 0.000 3.010 402 T HA 0.188 4.538 4.350 0.000 0.000 0.253 402 T C 1.397 176.142 174.700 0.075 0.000 0.939 402 T CA -0.260 61.900 62.100 0.100 0.000 0.910 402 T CB -0.113 68.810 68.868 0.091 0.000 1.226 402 T HN -0.000 nan 8.240 nan 0.000 0.508 403 Q N 1.506 121.357 119.800 0.085 0.000 2.392 403 Q HA 0.118 4.458 4.340 0.000 0.000 0.203 403 Q C 2.223 178.335 176.000 0.187 0.000 0.917 403 Q CA 1.142 56.995 55.803 0.083 0.000 0.939 403 Q CB 0.217 29.004 28.738 0.082 0.000 1.063 403 Q HN 0.787 nan 8.270 nan 0.000 0.516 404 T N -2.793 111.921 114.554 0.266 0.000 2.809 404 T HA -0.067 4.284 4.350 0.000 0.000 0.260 404 T C 2.005 176.864 174.700 0.265 0.000 1.039 404 T CA 1.462 63.806 62.100 0.406 0.000 1.141 404 T CB -0.565 68.544 68.868 0.401 0.000 0.869 404 T HN -0.025 nan 8.240 nan 0.000 0.437 405 T N 1.606 116.259 114.554 0.164 0.000 2.652 405 T HA 0.021 4.371 4.350 0.000 0.000 0.267 405 T C 2.258 176.917 174.700 -0.068 0.000 1.039 405 T CA 1.651 63.835 62.100 0.139 0.000 1.153 405 T CB -1.164 67.809 68.868 0.176 0.000 0.863 405 T HN 0.619 nan 8.240 nan 0.000 0.428 406 G N 1.063 109.645 108.800 -0.364 0.000 2.418 406 G HA2 -0.201 3.759 3.960 0.000 0.000 0.217 406 G HA3 -0.201 3.759 3.960 0.000 0.000 0.217 406 G C 1.734 176.332 174.900 -0.502 0.000 1.158 406 G CA 0.424 44.892 45.100 -1.054 0.000 0.771 406 G HN 0.413 nan 8.290 nan 0.000 0.545 407 R N -0.666 119.691 120.500 -0.238 0.000 2.075 407 R HA 0.032 4.372 4.340 0.000 0.000 0.232 407 R C 2.435 178.617 176.300 -0.197 0.000 1.126 407 R CA 1.051 57.092 56.100 -0.098 0.000 0.963 407 R CB -0.378 29.974 30.300 0.086 0.000 0.858 407 R HN 0.388 nan 8.270 nan 0.000 0.435 408 I N 0.763 121.135 120.570 -0.329 0.000 2.353 408 I HA -0.132 4.038 4.170 0.000 0.000 0.248 408 I C 2.096 177.787 176.117 -0.710 0.000 1.119 408 I CA 1.009 61.880 61.300 -0.715 0.000 1.417 408 I CB -0.216 37.282 38.000 -0.837 0.000 1.078 408 I HN 0.102 nan 8.210 nan 0.000 0.421 409 A N -0.200 122.255 122.820 -0.608 0.000 1.902 409 A HA -0.236 4.084 4.320 0.000 0.000 0.217 409 A C 2.525 180.085 177.584 -0.040 0.000 1.181 409 A CA 2.208 54.027 52.037 -0.364 0.000 0.623 409 A CB -1.306 17.750 19.000 0.094 0.000 0.818 409 A HN 0.582 nan 8.150 nan 0.000 0.443 410 S N 0.050 115.738 115.700 -0.020 0.000 2.399 410 S HA -0.123 4.347 4.470 0.000 0.000 0.231 410 S C 1.823 176.376 174.600 -0.079 0.000 1.022 410 S CA 1.534 59.759 58.200 0.041 0.000 0.983 410 S CB -0.716 62.508 63.200 0.039 0.000 0.803 410 S HN 0.492 nan 8.310 nan 0.000 0.480 411 I N 1.080 121.531 120.570 -0.197 0.000 2.406 411 I HA 0.078 4.248 4.170 0.000 0.000 0.249 411 I C 1.216 177.267 176.117 -0.110 0.000 1.122 411 I CA 0.355 61.524 61.300 -0.219 0.000 1.431 411 I CB -0.312 37.543 38.000 -0.242 0.000 1.087 411 I HN 0.222 nan 8.210 nan 0.000 0.424 416 D N 1.739 122.158 120.400 0.031 0.000 2.745 416 D HA 0.098 4.738 4.640 0.000 0.000 0.229 416 D C -0.293 176.032 176.300 0.041 0.000 1.088 416 D CA 0.415 54.436 54.000 0.035 0.000 1.054 416 D CB -0.642 40.173 40.800 0.026 0.000 1.132 416 D HN 0.364 nan 8.370 nan 0.000 0.464 417 T N -2.755 111.831 114.554 0.054 0.000 2.944 417 T HA 0.368 4.719 4.350 0.000 0.000 0.284 417 T C -1.600 173.142 174.700 0.070 0.000 1.010 417 T CA -1.761 60.373 62.100 0.058 0.000 1.025 417 T CB 2.256 71.161 68.868 0.063 0.000 1.079 417 T HN -0.186 nan 8.240 nan 0.000 0.516 418 P HA -0.104 nan 4.420 nan 0.000 0.218 418 P C 0.988 178.340 177.300 0.086 0.000 1.146 418 P CA 1.094 64.231 63.100 0.063 0.000 0.813 418 P CB 0.175 31.900 31.700 0.043 0.000 0.778 419 E N 0.143 120.407 120.200 0.106 0.000 2.110 419 E HA -0.150 4.200 4.350 0.000 0.000 0.193 419 E C 2.143 178.908 176.600 0.273 0.000 0.988 419 E CA 1.097 57.596 56.400 0.164 0.000 0.804 419 E CB -0.536 29.275 29.700 0.184 0.000 0.745 419 E HN 0.266 nan 8.360 nan 0.000 0.458 420 K N 0.245 120.777 120.400 0.220 0.000 2.097 420 K HA -0.063 4.258 4.320 0.000 0.000 0.205 420 K C 2.065 178.792 176.600 0.211 0.000 1.050 420 K CA 0.668 57.087 56.287 0.221 0.000 0.938 420 K CB -0.094 32.478 32.500 0.120 0.000 0.718 420 K HN 0.156 nan 8.250 nan 0.000 0.442 421 L N 0.998 122.315 121.223 0.156 0.000 2.046 421 L HA -0.223 4.117 4.340 0.000 0.000 0.208 421 L C 2.733 179.700 176.870 0.162 0.000 1.077 421 L CA 1.427 56.350 54.840 0.139 0.000 0.747 421 L CB -0.246 41.871 42.059 0.097 0.000 0.896 421 L HN 0.406 nan 8.230 nan 0.000 0.432 422 Q N -1.163 118.725 119.800 0.146 0.000 2.084 422 Q HA -0.265 4.075 4.340 0.000 0.000 0.202 422 Q C 2.117 178.224 176.000 0.178 0.000 0.978 422 Q CA 1.982 57.854 55.803 0.114 0.000 0.844 422 Q CB -0.213 28.548 28.738 0.038 0.000 0.898 422 Q HN 0.520 nan 8.270 nan 0.000 0.426 423 Y N -0.416 120.007 120.300 0.205 0.000 2.145 423 Y HA -0.267 4.283 4.550 0.000 0.000 0.286 423 Y C 2.075 178.086 175.900 0.186 0.000 1.145 423 Y CA 0.792 58.991 58.100 0.166 0.000 1.148 423 Y CB 0.037 38.545 38.460 0.080 0.000 0.981 423 Y HN 0.183 nan 8.280 nan 0.000 0.507 424 L N 0.539 121.973 121.223 0.352 0.000 2.012 424 L HA -0.253 4.087 4.340 0.000 0.000 0.210 424 L C 2.140 179.225 176.870 0.358 0.000 1.073 424 L CA 1.796 56.857 54.840 0.368 0.000 0.748 424 L CB -0.870 41.363 42.059 0.290 0.000 0.891 424 L HN 0.114 nan 8.230 nan 0.000 0.431 425 K N -1.206 119.345 120.400 0.253 0.000 2.063 425 K HA -0.143 4.178 4.320 0.000 0.000 0.208 425 K C 2.110 178.811 176.600 0.169 0.000 1.048 425 K CA 1.657 58.054 56.287 0.183 0.000 0.928 425 K CB -0.189 32.391 32.500 0.133 0.000 0.713 425 K HN 0.258 nan 8.250 nan 0.000 0.442 426 S N 0.650 116.469 115.700 0.198 0.000 2.383 426 S HA -0.116 4.355 4.470 0.000 0.000 0.227 426 S C 1.603 176.318 174.600 0.191 0.000 1.026 426 S CA 0.926 59.234 58.200 0.179 0.000 0.981 426 S CB -0.278 63.048 63.200 0.211 0.000 0.818 426 S HN 0.279 nan 8.310 nan 0.000 0.472 427 F N 2.054 122.070 119.950 0.110 0.000 2.113 427 F HA -0.111 4.416 4.527 0.000 0.000 0.297 427 F C 2.732 178.535 175.800 0.006 0.000 1.103 427 F CA 1.459 59.539 58.000 0.132 0.000 1.248 427 F CB -0.535 38.574 39.000 0.182 0.000 0.999 427 F HN 0.197 nan 8.300 nan 0.000 0.475 428 S N 0.268 115.962 115.700 -0.009 0.000 2.370 428 S HA -0.227 4.243 4.470 0.000 0.000 0.226 428 S C 2.402 176.919 174.600 -0.138 0.000 1.033 428 S CA 1.217 59.195 58.200 -0.371 0.000 1.011 428 S CB -0.513 62.477 63.200 -0.350 0.000 0.852 428 S HN 0.407 nan 8.310 nan 0.000 0.457 429 R N -0.864 119.647 120.500 0.018 0.000 2.096 429 R HA -0.143 4.197 4.340 0.000 0.000 0.235 429 R C 2.106 178.498 176.300 0.153 0.000 1.127 429 R CA 1.759 57.929 56.100 0.117 0.000 0.968 429 R CB -0.638 29.744 30.300 0.136 0.000 0.861 429 R HN 0.692 nan 8.270 nan 0.000 0.440 430 W N 1.177 122.391 121.300 -0.143 0.000 2.379 430 W HA -0.151 4.510 4.660 0.000 0.000 0.307 430 W C 1.669 178.058 176.519 -0.217 0.000 1.200 430 W CA 0.874 58.088 57.345 -0.218 0.000 1.297 430 W CB -0.324 28.916 29.460 -0.366 0.000 1.140 430 W HN -0.062 nan 8.180 nan 0.000 0.507 431 I N 0.833 121.130 120.570 -0.455 0.000 2.226 431 I HA -0.265 3.905 4.170 0.000 0.000 0.245 431 I C 2.266 178.271 176.117 -0.187 0.000 1.100 431 I CA 2.032 63.063 61.300 -0.449 0.000 1.374 431 I CB -1.661 36.148 38.000 -0.318 0.000 1.057 431 I HN 0.098 nan 8.210 nan 0.000 0.413 432 D N 0.776 121.091 120.400 -0.141 0.000 2.108 432 D HA -0.263 4.377 4.640 0.000 0.000 0.190 432 D C 2.229 178.450 176.300 -0.131 0.000 0.995 432 D CA 1.869 55.793 54.000 -0.127 0.000 0.834 432 D CB -0.248 40.479 40.800 -0.123 0.000 0.967 432 D HN 0.315 nan 8.370 nan 0.000 0.446 433 Y N 0.533 120.775 120.300 -0.096 0.000 2.352 433 Y HA -0.007 4.544 4.550 0.000 0.000 0.292 433 Y C 2.523 178.364 175.900 -0.099 0.000 1.136 433 Y CA 1.199 59.251 58.100 -0.081 0.000 1.227 433 Y CB -0.488 37.929 38.460 -0.071 0.000 0.991 433 Y HN 0.087 nan 8.280 nan 0.000 0.545 434 G N -1.463 107.312 108.800 -0.041 0.000 2.432 434 G HA2 -0.237 3.724 3.960 0.000 0.000 0.219 434 G HA3 -0.237 3.724 3.960 0.000 0.000 0.219 434 G C 1.524 176.550 174.900 0.209 0.000 1.135 434 G CA 1.249 46.291 45.100 -0.098 0.000 0.767 434 G HN 0.458 nan 8.290 nan 0.000 0.550 435 C N 0.285 119.721 119.300 0.227 0.000 2.495 435 C HA 0.282 4.742 4.460 0.000 0.000 0.275 435 C C 1.602 176.701 174.990 0.183 0.000 1.392 435 C CA -0.810 58.369 59.018 0.268 0.000 1.766 435 C CB -0.731 27.024 27.740 0.025 0.000 1.933 435 C HN 0.305 nan 8.230 nan 0.000 0.519 436 R N 1.448 121.976 120.500 0.046 0.000 2.694 436 R HA 0.172 4.513 4.340 0.000 0.000 0.268 436 R C -2.532 173.771 176.300 0.004 0.000 1.061 436 R CA -1.023 55.069 56.100 -0.013 0.000 1.133 436 R CB -0.277 29.972 30.300 -0.084 0.000 1.020 436 R HN 0.064 nan 8.270 nan 0.000 0.475 437 P HA -0.092 nan 4.420 nan 0.000 0.255 437 P C -0.991 176.240 177.300 -0.115 0.000 1.173 437 P CA 0.593 63.644 63.100 -0.081 0.000 0.780 437 P CB 0.404 32.050 31.700 -0.090 0.000 0.758 438 A N 6.908 129.625 122.820 -0.171 0.000 2.340 438 A HA 0.561 4.882 4.320 0.000 0.000 0.268 438 A C -2.041 175.395 177.584 -0.245 0.000 1.100 438 A CA -1.529 50.400 52.037 -0.179 0.000 0.803 438 A CB -0.309 18.579 19.000 -0.187 0.000 1.043 438 A HN 0.348 nan 8.150 nan 0.000 0.488 439 P HA 0.367 nan 4.420 nan 0.000 0.274 439 P C 0.978 178.221 177.300 -0.096 0.000 1.237 439 P CA 1.100 64.137 63.100 -0.105 0.000 0.793 439 P CB 0.728 32.409 31.700 -0.033 0.000 0.977 440 G N 1.471 110.278 108.800 0.012 0.000 2.672 440 G HA2 -0.317 3.643 3.960 0.000 0.000 0.324 440 G HA3 -0.317 3.643 3.960 0.000 0.000 0.324 440 G C 0.343 175.272 174.900 0.050 0.000 1.286 440 G CA 0.436 45.601 45.100 0.108 0.000 1.004 440 G HN 0.499 nan 8.290 nan 0.000 0.548 441 L N 2.363 123.657 121.223 0.118 0.000 2.628 441 L HA 0.640 4.980 4.340 0.000 0.000 0.229 441 L C 2.178 179.146 176.870 0.164 0.000 1.137 441 L CA 0.967 55.934 54.840 0.212 0.000 0.909 441 L CB -0.750 41.499 42.059 0.315 0.000 1.137 441 L HN 0.912 nan 8.230 nan 0.000 0.470 442 A N -1.121 121.708 122.820 0.016 0.000 2.445 442 A HA 0.691 5.012 4.320 0.000 0.000 0.270 442 A C 1.236 178.795 177.584 -0.041 0.000 1.495 442 A CA 0.221 52.262 52.037 0.007 0.000 0.840 442 A CB -0.828 18.161 19.000 -0.018 0.000 1.472 442 A HN 0.395 nan 8.150 nan 0.000 0.541 443 G N -1.525 107.238 108.800 -0.061 0.000 2.581 443 G HA2 -0.152 3.808 3.960 0.000 0.000 0.289 443 G HA3 -0.152 3.808 3.960 0.000 0.000 0.289 443 G C 0.923 175.739 174.900 -0.140 0.000 1.303 443 G CA 0.664 45.695 45.100 -0.116 0.000 0.931 443 G HN 1.297 nan 8.290 nan 0.000 0.555 444 S N -1.323 114.201 115.700 -0.294 0.000 2.811 444 S HA 0.503 4.973 4.470 0.000 0.000 0.237 444 S C 0.248 174.510 174.600 -0.564 0.000 1.038 444 S CA 0.771 58.624 58.200 -0.578 0.000 0.881 444 S CB 0.167 62.697 63.200 -1.117 0.000 0.815 444 S HN 0.429 nan 8.310 nan 0.000 0.582 445 F N 2.064 122.003 119.950 -0.018 0.000 2.522 445 F HA 0.621 5.148 4.527 0.000 0.000 0.324 445 F C 0.267 175.961 175.800 -0.177 0.000 1.077 445 F CA -1.153 56.805 58.000 -0.070 0.000 0.944 445 F CB 0.915 39.862 39.000 -0.088 0.000 1.175 445 F HN -0.294 nan 8.300 nan 0.000 0.468 446 K N 0.666 121.061 120.400 -0.008 0.000 2.295 446 K HA 0.460 4.780 4.320 0.000 0.000 0.239 446 K C 0.943 177.463 176.600 -0.133 0.000 0.991 446 K CA -0.609 55.523 56.287 -0.259 0.000 0.845 446 K CB 2.030 34.249 32.500 -0.469 0.000 1.197 446 K HN 0.485 nan 8.250 nan 0.000 0.441 447 V N -1.563 118.250 119.914 -0.168 0.000 2.469 447 V HA -0.214 3.906 4.120 0.000 0.000 0.251 447 V C 1.209 177.284 176.094 -0.031 0.000 1.064 447 V CA 2.112 64.370 62.300 -0.071 0.000 1.066 447 V CB -0.764 31.034 31.823 -0.041 0.000 0.667 447 V HN 0.796 nan 8.190 nan 0.000 0.461 448 D N 0.098 120.507 120.400 0.014 0.000 2.349 448 D HA 0.288 4.928 4.640 0.000 0.000 0.214 448 D C 1.585 177.908 176.300 0.039 0.000 1.063 448 D CA 0.677 54.694 54.000 0.028 0.000 0.847 448 D CB 0.290 41.136 40.800 0.077 0.000 0.933 448 D HN 0.880 nan 8.370 nan 0.000 0.513 449 G N -0.677 108.149 108.800 0.043 0.000 2.179 449 G HA2 -0.121 3.840 3.960 0.000 0.000 0.220 449 G HA3 -0.121 3.840 3.960 0.000 0.000 0.220 449 G C 0.627 175.627 174.900 0.167 0.000 0.990 449 G CA -0.159 44.980 45.100 0.064 0.000 0.646 449 G HN 0.737 nan 8.290 nan 0.000 0.517 450 G N -0.088 108.836 108.800 0.207 0.000 2.527 450 G HA2 0.678 4.638 3.960 0.000 0.000 0.248 450 G HA3 0.678 4.638 3.960 0.000 0.000 0.248 450 G C 0.117 175.245 174.900 0.379 0.000 1.231 450 G CA 0.613 45.915 45.100 0.336 0.000 0.838 450 G HN 1.637 nan 8.290 nan 0.000 0.570 451 A N 1.058 124.157 122.820 0.466 0.000 2.357 451 A HA 0.688 5.008 4.320 0.000 0.000 0.295 451 A C -1.336 176.527 177.584 0.465 0.000 1.121 451 A CA -0.561 51.753 52.037 0.461 0.000 0.742 451 A CB 0.874 20.127 19.000 0.422 0.000 1.181 451 A HN 0.465 nan 8.150 nan 0.000 0.454 452 F N 1.389 121.391 119.950 0.086 0.000 2.436 452 F HA 0.667 5.194 4.527 0.000 0.000 0.340 452 F C 0.265 176.170 175.800 0.175 0.000 1.113 452 F CA -0.009 58.063 58.000 0.120 0.000 1.022 452 F CB 1.942 40.980 39.000 0.064 0.000 1.128 452 F HN 0.747 nan 8.300 nan 0.000 0.466 453 H N 0.876 120.047 119.070 0.168 0.000 3.038 453 H HA 0.294 4.850 4.556 0.000 0.000 0.362 453 H C -0.426 175.048 175.328 0.244 0.000 1.167 453 H CA -0.905 55.177 56.048 0.057 0.000 1.197 453 H CB 0.808 30.416 29.762 -0.256 0.000 1.840 453 H HN 0.738 nan 8.280 nan 0.000 0.540 454 H N 3.949 122.873 119.070 -0.244 0.000 2.820 454 H HA -0.189 4.368 4.556 0.000 0.000 0.295 454 H C 0.049 175.603 175.328 0.377 0.000 1.187 454 H CA 0.375 56.509 56.048 0.144 0.000 1.144 454 H CB -0.412 29.515 29.762 0.276 0.000 1.354 454 H HN 0.589 nan 8.280 nan 0.000 0.395 455 R N -1.741 118.984 120.500 0.374 0.000 3.776 455 R HA -0.138 4.202 4.340 0.000 0.000 0.312 455 R C -0.288 176.118 176.300 0.177 0.000 1.181 455 R CA 1.108 57.414 56.100 0.344 0.000 0.836 455 R CB -2.114 28.306 30.300 0.200 0.000 1.324 455 R HN 0.630 nan 8.270 nan 0.000 0.501 456 N N 0.010 118.580 118.700 -0.217 0.000 2.934 456 N HA 0.136 4.876 4.740 0.000 0.000 0.253 456 N C -1.245 173.388 175.510 -1.462 0.000 1.466 456 N CA -0.781 51.622 53.050 -1.079 0.000 0.858 456 N CB 1.144 38.811 38.487 -1.367 0.000 1.459 456 N HN 0.080 nan 8.380 nan 0.000 0.532 457 N N 0.732 118.570 118.700 -1.436 0.000 2.438 457 N HA 0.062 4.803 4.740 0.000 0.000 0.267 457 N C -1.385 173.919 175.510 -0.343 0.000 1.222 457 N CA 0.518 53.150 53.050 -0.698 0.000 0.930 457 N CB -0.017 38.265 38.487 -0.342 0.000 1.083 457 N HN 0.402 nan 8.380 nan 0.000 0.476 458 Y N 5.383 125.573 120.300 -0.183 0.000 2.705 458 Y HA 0.324 4.874 4.550 0.000 0.000 0.355 458 Y C -1.904 173.966 175.900 -0.049 0.000 1.039 458 Y CA -2.201 55.874 58.100 -0.041 0.000 1.233 458 Y CB 1.566 40.128 38.460 0.169 0.000 1.103 458 Y HN 0.668 nan 8.280 nan 0.000 0.624 459 P HA -0.280 nan 4.420 nan 0.000 0.216 459 P C 1.453 178.675 177.300 -0.130 0.000 1.157 459 P CA 2.445 65.369 63.100 -0.293 0.000 0.880 459 P CB 0.310 31.334 31.700 -1.127 0.000 0.791 460 A N -1.994 120.821 122.820 -0.008 0.000 1.940 460 A HA -0.232 4.088 4.320 0.000 0.000 0.219 460 A C 2.069 179.661 177.584 0.014 0.000 1.176 460 A CA 1.622 53.792 52.037 0.221 0.000 0.631 460 A CB -1.801 17.375 19.000 0.293 0.000 0.814 460 A HN 0.224 nan 8.150 nan 0.000 0.446 461 Y N -0.946 119.343 120.300 -0.018 0.000 2.347 461 Y HA 0.133 4.683 4.550 0.000 0.000 0.294 461 Y C 2.835 178.707 175.900 -0.047 0.000 1.117 461 Y CA 0.505 58.505 58.100 -0.166 0.000 1.184 461 Y CB -0.127 38.074 38.460 -0.432 0.000 1.047 461 Y HN 0.329 nan 8.280 nan 0.000 0.546 462 A N -0.276 122.670 122.820 0.210 0.000 1.908 462 A HA -0.186 4.134 4.320 0.000 0.000 0.218 462 A C 2.338 180.039 177.584 0.196 0.000 1.181 462 A CA 1.875 54.039 52.037 0.211 0.000 0.627 462 A CB -1.252 17.891 19.000 0.239 0.000 0.818 462 A HN 0.246 nan 8.150 nan 0.000 0.445 463 V N -0.198 119.862 119.914 0.242 0.000 2.317 463 V HA -0.279 3.841 4.120 0.000 0.000 0.251 463 V C 2.725 178.985 176.094 0.275 0.000 1.065 463 V CA 2.316 64.813 62.300 0.328 0.000 1.049 463 V CB -1.197 30.856 31.823 0.384 0.000 0.651 463 V HN 0.653 nan 8.190 nan 0.000 0.450 464 G N -0.939 107.972 108.800 0.186 0.000 2.394 464 G HA2 -0.096 3.864 3.960 0.000 0.000 0.215 464 G HA3 -0.096 3.864 3.960 0.000 0.000 0.215 464 G C 1.598 176.577 174.900 0.132 0.000 1.165 464 G CA 0.787 45.980 45.100 0.154 0.000 0.784 464 G HN 0.604 nan 8.290 nan 0.000 0.535 465 G N 0.849 109.718 108.800 0.115 0.000 2.408 465 G HA2 -0.103 3.857 3.960 0.000 0.000 0.217 465 G HA3 -0.103 3.857 3.960 0.000 0.000 0.217 465 G C 1.797 176.719 174.900 0.036 0.000 1.150 465 G CA 0.605 45.785 45.100 0.133 0.000 0.776 465 G HN 0.410 nan 8.290 nan 0.000 0.542 466 L N 0.400 121.580 121.223 -0.072 0.000 2.083 466 L HA -0.072 4.268 4.340 0.000 0.000 0.209 466 L C 2.531 179.115 176.870 -0.476 0.000 1.083 466 L CA 1.024 55.617 54.840 -0.412 0.000 0.752 466 L CB -0.359 41.283 42.059 -0.696 0.000 0.899 466 L HN 0.089 nan 8.230 nan 0.000 0.433 467 D N 0.201 120.495 120.400 -0.177 0.000 2.154 467 D HA -0.211 4.429 4.640 0.000 0.000 0.190 467 D C 2.000 178.330 176.300 0.050 0.000 1.003 467 D CA 1.873 55.934 54.000 0.103 0.000 0.849 467 D CB -0.282 40.652 40.800 0.223 0.000 0.942 467 D HN 0.425 nan 8.370 nan 0.000 0.446 468 G N 0.602 109.440 108.800 0.064 0.000 2.434 468 G HA2 -0.117 3.844 3.960 0.000 0.000 0.214 468 G HA3 -0.117 3.844 3.960 0.000 0.000 0.214 468 G C 1.752 176.661 174.900 0.014 0.000 1.202 468 G CA 1.592 46.772 45.100 0.134 0.000 0.788 468 G HN 0.415 nan 8.290 nan 0.000 0.539 469 A N 0.872 123.511 122.820 -0.301 0.000 1.865 469 A HA -0.117 4.203 4.320 0.000 0.000 0.217 469 A C 2.687 180.079 177.584 -0.319 0.000 1.191 469 A CA 3.297 54.989 52.037 -0.576 0.000 0.623 469 A CB -1.400 16.995 19.000 -1.009 0.000 0.826 469 A HN 0.595 nan 8.150 nan 0.000 0.444 470 T N -1.276 113.096 114.554 -0.305 0.000 2.684 470 T HA -0.125 4.225 4.350 0.000 0.000 0.267 470 T C 1.176 175.850 174.700 -0.042 0.000 1.036 470 T CA 1.019 62.990 62.100 -0.214 0.000 1.148 470 T CB -0.777 67.964 68.868 -0.211 0.000 0.863 470 T HN 0.363 nan 8.240 nan 0.000 0.436 474 Y N 2.347 122.630 120.300 -0.028 0.000 2.128 474 Y HA -0.258 4.292 4.550 0.000 0.000 0.284 474 Y C 2.349 178.276 175.900 0.044 0.000 1.154 474 Y CA 2.281 60.381 58.100 -0.000 0.000 1.149 474 Y CB 0.026 38.478 38.460 -0.013 0.000 0.976 474 Y HN 0.175 nan 8.280 nan 0.000 0.505 475 L N -0.457 120.709 121.223 -0.096 0.000 2.043 475 L HA -0.245 4.095 4.340 0.000 0.000 0.212 475 L C 1.726 178.398 176.870 -0.330 0.000 1.075 475 L CA 1.964 56.654 54.840 -0.250 0.000 0.752 475 L CB -0.695 41.343 42.059 -0.035 0.000 0.891 475 L HN 0.292 nan 8.230 nan 0.000 0.432 476 F N -0.984 118.903 119.950 -0.106 0.000 2.776 476 F HA 0.150 4.677 4.527 0.000 0.000 0.300 476 F C 1.650 177.408 175.800 -0.071 0.000 1.116 476 F CA 0.168 58.134 58.000 -0.057 0.000 1.375 476 F CB -0.579 38.438 39.000 0.028 0.000 1.109 476 F HN 0.071 nan 8.300 nan 0.000 0.585 477 S N 0.818 116.530 115.700 0.019 0.000 2.573 477 S HA 0.130 4.601 4.470 0.000 0.000 0.277 477 S C 0.716 175.308 174.600 -0.013 0.000 1.346 477 S CA -0.639 57.577 58.200 0.027 0.000 1.034 477 S CB 0.324 63.544 63.200 0.034 0.000 0.879 477 S HN 0.445 nan 8.310 nan 0.000 0.528 478 R N 0.115 120.629 120.500 0.023 0.000 3.264 478 R HA -0.124 4.216 4.340 0.000 0.000 0.251 478 R C -0.609 175.687 176.300 -0.006 0.000 0.971 478 R CA 1.011 57.110 56.100 -0.001 0.000 0.658 478 R CB -2.575 27.708 30.300 -0.028 0.000 1.095 478 R HN 0.837 nan 8.270 nan 0.000 0.443 479 T N -2.038 112.529 114.554 0.022 0.000 2.885 479 T HA 0.141 4.491 4.350 0.000 0.000 0.322 479 T C 0.973 175.708 174.700 0.058 0.000 1.387 479 T CA -0.180 61.937 62.100 0.028 0.000 1.041 479 T CB 1.636 70.514 68.868 0.017 0.000 1.287 479 T HN 0.177 nan 8.240 nan 0.000 0.491 480 S N 0.992 116.725 115.700 0.055 0.000 2.465 480 S HA -0.014 4.456 4.470 0.000 0.000 0.241 480 S C 1.341 176.000 174.600 0.099 0.000 1.000 480 S CA 0.953 59.192 58.200 0.065 0.000 0.964 480 S CB -0.515 62.717 63.200 0.054 0.000 0.763 480 S HN 0.600 nan 8.310 nan 0.000 0.512 481 L N 1.057 122.370 121.223 0.150 0.000 2.667 481 L HA 0.448 4.788 4.340 0.000 0.000 0.232 481 L C 1.157 178.185 176.870 0.264 0.000 1.138 481 L CA -0.239 54.747 54.840 0.244 0.000 0.921 481 L CB -0.386 41.916 42.059 0.405 0.000 1.180 481 L HN 0.297 nan 8.230 nan 0.000 0.487 482 A N 0.883 123.811 122.820 0.180 0.000 2.483 482 A HA 0.344 4.664 4.320 0.000 0.000 0.238 482 A C 0.521 178.150 177.584 0.074 0.000 1.070 482 A CA -0.264 51.863 52.037 0.150 0.000 0.770 482 A CB 0.201 19.268 19.000 0.111 0.000 1.008 482 A HN 0.117 nan 8.150 nan 0.000 0.497 483 V N 1.461 121.398 119.914 0.039 0.000 3.051 483 V HA 0.496 4.616 4.120 0.000 0.000 0.306 483 V C 0.805 176.899 176.094 0.000 0.000 1.083 483 V CA -0.295 61.991 62.300 -0.024 0.000 1.104 483 V CB 0.353 32.132 31.823 -0.073 0.000 1.027 483 V HN 1.363 nan 8.190 nan 0.000 0.483 484 S N 1.168 116.839 115.700 -0.047 0.000 2.569 484 S HA 0.035 4.505 4.470 0.000 0.000 0.274 484 S C 0.983 175.573 174.600 -0.017 0.000 1.353 484 S CA 0.607 58.778 58.200 -0.048 0.000 1.023 484 S CB 0.510 63.643 63.200 -0.111 0.000 0.876 484 S HN 0.980 nan 8.310 nan 0.000 0.540 485 E N -0.096 120.090 120.200 -0.022 0.000 2.085 485 E HA -0.188 4.162 4.350 0.000 0.000 0.194 485 E C 1.784 178.369 176.600 -0.025 0.000 0.994 485 E CA 1.253 57.638 56.400 -0.025 0.000 0.801 485 E CB -0.179 29.494 29.700 -0.045 0.000 0.743 485 E HN 0.705 nan 8.360 nan 0.000 0.453 486 L N 0.940 122.132 121.223 -0.052 0.000 2.012 486 L HA -0.152 4.188 4.340 0.000 0.000 0.210 486 L C 2.311 179.143 176.870 -0.064 0.000 1.073 486 L CA 2.338 57.140 54.840 -0.064 0.000 0.748 486 L CB -0.828 41.177 42.059 -0.090 0.000 0.891 486 L HN 0.115 nan 8.230 nan 0.000 0.431 487 A N -1.581 121.192 122.820 -0.078 0.000 1.877 487 A HA -0.299 4.022 4.320 0.000 0.000 0.216 487 A C 2.322 179.868 177.584 -0.064 0.000 1.186 487 A CA 1.869 53.856 52.037 -0.083 0.000 0.620 487 A CB -1.128 17.806 19.000 -0.111 0.000 0.822 487 A HN 0.732 nan 8.150 nan 0.000 0.443 488 H N -1.002 117.995 119.070 -0.122 0.000 2.321 488 H HA -0.107 4.449 4.556 0.000 0.000 0.300 488 H C 2.397 177.643 175.328 -0.136 0.000 1.087 488 H CA 1.680 57.656 56.048 -0.121 0.000 1.319 488 H CB 0.001 29.715 29.762 -0.080 0.000 1.379 488 H HN 0.448 nan 8.280 nan 0.000 0.501 489 R N -0.259 120.282 120.500 0.070 0.000 2.092 489 R HA -0.109 4.231 4.340 0.000 0.000 0.231 489 R C 1.967 178.229 176.300 -0.062 0.000 1.119 489 R CA 1.786 57.878 56.100 -0.013 0.000 0.970 489 R CB -0.139 30.135 30.300 -0.043 0.000 0.864 489 R HN 0.311 nan 8.270 nan 0.000 0.440 490 T N 0.339 114.841 114.554 -0.085 0.000 2.652 490 T HA -0.160 4.190 4.350 0.000 0.000 0.267 490 T C 1.745 176.305 174.700 -0.234 0.000 1.039 490 T CA 1.528 63.556 62.100 -0.121 0.000 1.153 490 T CB -0.407 68.412 68.868 -0.083 0.000 0.863 490 T HN 0.192 nan 8.240 nan 0.000 0.428 491 V N 1.674 121.371 119.914 -0.361 0.000 2.343 491 V HA -0.171 3.950 4.120 0.000 0.000 0.247 491 V C 2.458 178.320 176.094 -0.387 0.000 1.051 491 V CA 2.416 64.359 62.300 -0.595 0.000 1.036 491 V CB -0.569 30.816 31.823 -0.729 0.000 0.654 491 V HN 0.494 nan 8.190 nan 0.000 0.451 492 K N -0.288 119.981 120.400 -0.218 0.000 2.044 492 K HA -0.272 4.048 4.320 0.000 0.000 0.210 492 K C 1.807 178.331 176.600 -0.126 0.000 1.049 492 K CA 2.519 58.726 56.287 -0.133 0.000 0.927 492 K CB -0.446 32.040 32.500 -0.023 0.000 0.713 492 K HN 0.537 nan 8.250 nan 0.000 0.443 493 D N 0.175 120.506 120.400 -0.115 0.000 2.178 493 D HA -0.113 4.527 4.640 0.000 0.000 0.202 493 D C 1.956 178.202 176.300 -0.091 0.000 0.974 493 D CA 0.901 54.848 54.000 -0.087 0.000 0.841 493 D CB -0.112 40.643 40.800 -0.075 0.000 0.953 493 D HN 0.068 nan 8.370 nan 0.000 0.478 494 V N 0.788 120.616 119.914 -0.143 0.000 2.295 494 V HA -0.216 3.905 4.120 0.000 0.000 0.246 494 V C 2.533 178.556 176.094 -0.119 0.000 1.049 494 V CA 1.223 63.453 62.300 -0.117 0.000 1.024 494 V CB -0.403 31.285 31.823 -0.225 0.000 0.648 494 V HN 0.210 nan 8.190 nan 0.000 0.447 495 L N -1.188 119.916 121.223 -0.198 0.000 2.093 495 L HA -0.147 4.193 4.340 0.000 0.000 0.208 495 L C 2.373 179.266 176.870 0.039 0.000 1.085 495 L CA 0.851 55.569 54.840 -0.204 0.000 0.755 495 L CB -0.519 41.210 42.059 -0.550 0.000 0.904 495 L HN 0.281 nan 8.230 nan 0.000 0.435 496 L N -0.101 121.135 121.223 0.021 0.000 2.083 496 L HA -0.032 4.308 4.340 0.000 0.000 0.209 496 L C 1.740 178.633 176.870 0.038 0.000 1.083 496 L CA 1.177 56.062 54.840 0.075 0.000 0.752 496 L CB -1.139 40.935 42.059 0.026 0.000 0.899 496 L HN 0.160 nan 8.230 nan 0.000 0.433 500 F N 1.450 121.294 119.950 -0.176 0.000 2.179 500 F HA 0.015 4.542 4.527 0.000 0.000 0.292 500 F C 2.067 177.838 175.800 -0.049 0.000 1.089 500 F CA 1.928 59.861 58.000 -0.112 0.000 1.295 500 F CB -0.078 38.872 39.000 -0.084 0.000 1.041 500 F HN 0.181 nan 8.300 nan 0.000 0.487 501 Y N -1.500 118.936 120.300 0.226 0.000 2.457 501 Y HA 0.181 4.731 4.550 0.000 0.000 0.292 501 Y C 1.030 176.973 175.900 0.071 0.000 1.125 501 Y CA -0.983 57.193 58.100 0.126 0.000 1.254 501 Y CB -1.383 37.148 38.460 0.118 0.000 1.012 501 Y HN -0.156 nan 8.280 nan 0.000 0.555 502 C N 2.505 121.933 119.300 0.213 0.000 2.534 502 C HA 0.403 4.864 4.460 0.000 0.000 0.385 502 C C -0.089 174.921 174.990 0.034 0.000 1.264 502 C CA -0.353 58.781 59.018 0.194 0.000 2.342 502 C CB 0.305 28.150 27.740 0.174 0.000 2.564 502 C HN 0.626 nan 8.230 nan 0.000 0.603 503 N N 0.541 119.254 118.700 0.022 0.000 2.697 503 N HA 0.158 4.898 4.740 0.000 0.000 0.271 503 N C -0.005 175.487 175.510 -0.030 0.000 1.149 503 N CA -0.366 52.662 53.050 -0.037 0.000 0.939 503 N CB 0.894 39.356 38.487 -0.041 0.000 1.534 503 N HN 0.696 nan 8.380 nan 0.000 0.556 504 K N 2.303 122.671 120.400 -0.054 0.000 2.021 504 K HA 0.111 4.431 4.320 0.000 0.000 0.205 504 K C 0.573 177.119 176.600 -0.089 0.000 1.047 504 K CA 1.104 57.339 56.287 -0.087 0.000 0.943 504 K CB 0.230 32.671 32.500 -0.098 0.000 0.725 504 K HN 0.423 nan 8.250 nan 0.000 0.439 505 L N 0.585 121.759 121.223 -0.082 0.000 2.575 505 L HA 0.161 4.501 4.340 0.000 0.000 0.228 505 L C -0.047 176.779 176.870 -0.074 0.000 1.075 505 L CA 0.277 55.068 54.840 -0.083 0.000 0.867 505 L CB -0.132 41.862 42.059 -0.108 0.000 1.097 505 L HN 0.019 nan 8.230 nan 0.000 0.485 506 N N -0.519 118.136 118.700 -0.075 0.000 2.525 506 N HA 0.230 4.970 4.740 0.000 0.000 0.271 506 N C -0.655 174.890 175.510 0.059 0.000 1.194 506 N CA -0.153 52.825 53.050 -0.121 0.000 0.964 506 N CB 0.344 38.777 38.487 -0.089 0.000 1.126 506 N HN -0.071 nan 8.380 nan 0.000 0.452 507 F N 1.871 121.854 119.950 0.054 0.000 2.529 507 F HA 0.183 4.710 4.527 0.000 0.000 0.365 507 F C -1.274 174.517 175.800 -0.014 0.000 1.102 507 F CA -1.869 56.171 58.000 0.067 0.000 1.271 507 F CB 0.225 39.260 39.000 0.058 0.000 1.120 507 F HN 0.247 nan 8.300 nan 0.000 0.579 508 P HA -0.056 nan 4.420 nan 0.000 0.269 508 P C 0.577 177.849 177.300 -0.047 0.000 1.215 508 P CA -0.280 62.833 63.100 0.021 0.000 0.780 508 P CB 1.009 32.717 31.700 0.012 0.000 0.898 509 L N 2.218 123.336 121.223 -0.175 0.000 2.012 509 L HA -0.145 4.195 4.340 0.000 0.000 0.210 509 L C 1.409 178.231 176.870 -0.079 0.000 1.073 509 L CA 1.913 56.607 54.840 -0.243 0.000 0.748 509 L CB -1.199 40.593 42.059 -0.446 0.000 0.891 509 L HN 0.558 nan 8.230 nan 0.000 0.431 513 G N 3.011 111.716 108.800 -0.158 0.000 2.620 513 G HA2 -0.405 3.556 3.960 0.000 0.000 0.315 513 G HA3 -0.405 3.556 3.960 0.000 0.000 0.315 513 G C 0.562 175.355 174.900 -0.178 0.000 1.179 513 G CA 0.915 45.831 45.100 -0.307 0.000 0.971 513 G HN 0.481 nan 8.290 nan 0.000 0.544 514 R N 1.108 121.492 120.500 -0.193 0.000 2.334 514 R HA 0.102 4.442 4.340 0.000 0.000 0.216 514 R C 0.129 176.181 176.300 -0.414 0.000 0.905 514 R CA 0.514 56.388 56.100 -0.377 0.000 1.064 514 R CB 0.015 29.965 30.300 -0.583 0.000 1.046 514 R HN 0.674 nan 8.270 nan 0.000 0.508 515 H N 1.200 120.313 119.070 0.072 0.000 2.317 515 H HA 0.239 4.795 4.556 0.000 0.000 0.231 515 H C -2.285 173.132 175.328 0.149 0.000 1.442 515 H CA -2.176 53.943 56.048 0.118 0.000 1.336 515 H CB 1.403 31.232 29.762 0.112 0.000 1.533 515 H HN 0.131 nan 8.280 nan 0.000 0.522 516 P HA 0.052 nan 4.420 nan 0.000 0.225 516 P C 0.110 177.659 177.300 0.414 0.000 1.768 516 P CA -0.060 63.200 63.100 0.267 0.000 0.943 516 P CB -0.225 31.689 31.700 0.358 0.000 1.936 517 D N -1.051 119.554 120.400 0.342 0.000 2.379 517 D HA 0.117 4.757 4.640 0.000 0.000 0.208 517 D C 1.443 177.977 176.300 0.390 0.000 1.065 517 D CA 0.055 54.309 54.000 0.424 0.000 0.848 517 D CB -0.644 40.342 40.800 0.309 0.000 0.949 517 D HN 0.226 nan 8.370 nan 0.000 0.509 518 G N 0.742 109.617 108.800 0.125 0.000 2.160 518 G HA2 -0.379 3.581 3.960 0.000 0.000 0.251 518 G HA3 -0.379 3.581 3.960 0.000 0.000 0.251 518 G C 0.902 175.836 174.900 0.055 0.000 1.008 518 G CA 0.713 45.828 45.100 0.026 0.000 0.724 518 G HN 0.447 nan 8.290 nan 0.000 0.514 519 K N -0.257 120.165 120.400 0.036 0.000 2.262 519 K HA 0.240 4.560 4.320 0.000 0.000 0.200 519 K C 1.846 178.348 176.600 -0.162 0.000 1.058 519 K CA 0.302 56.574 56.287 -0.025 0.000 0.974 519 K CB 0.144 32.651 32.500 0.012 0.000 0.910 519 K HN 0.413 nan 8.250 nan 0.000 0.484 520 G N 2.456 111.127 108.800 -0.215 0.000 2.224 520 G HA2 -0.045 3.915 3.960 0.000 0.000 0.239 520 G HA3 -0.045 3.915 3.960 0.000 0.000 0.239 520 G C -0.627 173.542 174.900 -1.220 0.000 1.240 520 G CA 0.329 45.073 45.100 -0.594 0.000 0.896 520 G HN 0.122 nan 8.290 nan 0.000 0.496 521 K N 0.633 120.441 120.400 -0.986 0.000 2.443 521 K HA 0.469 4.789 4.320 0.000 0.000 0.251 521 K C -0.158 176.271 176.600 -0.285 0.000 0.972 521 K CA -0.968 54.940 56.287 -0.632 0.000 0.833 521 K CB 1.951 34.286 32.500 -0.275 0.000 1.317 521 K HN 0.444 nan 8.250 nan 0.000 0.441 522 L N -1.218 120.010 121.223 0.009 0.000 2.453 522 L HA 0.432 4.772 4.340 0.000 0.000 0.261 522 L C -0.295 176.636 176.870 0.102 0.000 1.179 522 L CA -0.405 54.572 54.840 0.229 0.000 0.813 522 L CB 0.282 42.514 42.059 0.288 0.000 1.110 522 L HN 0.207 nan 8.230 nan 0.000 0.466 523 V N 2.084 122.058 119.914 0.101 0.000 2.333 523 V HA 0.390 4.510 4.120 0.000 0.000 0.274 523 V C -1.840 174.256 176.094 0.003 0.000 1.028 523 V CA -1.319 60.904 62.300 -0.129 0.000 0.851 523 V CB 0.450 31.931 31.823 -0.571 0.000 1.000 523 V HN 0.775 nan 8.190 nan 0.000 0.456 527 Y N 1.495 121.853 120.300 0.096 0.000 2.243 527 Y HA 0.062 4.612 4.550 0.000 0.000 0.293 527 Y C 2.691 178.529 175.900 -0.103 0.000 1.124 527 Y CA 1.180 59.312 58.100 0.053 0.000 1.159 527 Y CB -0.204 38.356 38.460 0.166 0.000 1.008 527 Y HN 0.306 nan 8.280 nan 0.000 0.527 528 A N 0.381 123.082 122.820 -0.198 0.000 1.898 528 A HA -0.066 4.254 4.320 0.000 0.000 0.216 528 A C 1.390 178.763 177.584 -0.353 0.000 1.181 528 A CA 0.707 52.379 52.037 -0.609 0.000 0.620 528 A CB -0.816 17.454 19.000 -1.216 0.000 0.819 528 A HN 0.198 nan 8.150 nan 0.000 0.442 532 I N -1.150 119.413 120.570 -0.012 0.000 3.564 532 I HA 0.489 4.659 4.170 0.000 0.000 0.294 532 I C 1.666 177.883 176.117 0.166 0.000 1.289 532 I CA 1.000 62.326 61.300 0.043 0.000 1.325 532 I CB 0.259 38.241 38.000 -0.030 0.000 1.039 532 I HN 0.211 nan 8.210 nan 0.000 0.474 533 A N 1.545 124.484 122.820 0.197 0.000 2.067 533 A HA 0.488 4.809 4.320 0.000 0.000 0.217 533 A C 1.491 179.198 177.584 0.206 0.000 1.156 533 A CA 0.766 52.981 52.037 0.297 0.000 0.683 533 A CB -0.849 18.292 19.000 0.236 0.000 0.808 533 A HN 0.800 nan 8.150 nan 0.000 0.455 534 G N -1.730 107.145 108.800 0.125 0.000 2.757 534 G HA2 -0.040 3.921 3.960 0.000 0.000 0.638 534 G HA3 -0.040 3.921 3.960 0.000 0.000 0.638 534 G C -0.154 174.743 174.900 -0.005 0.000 1.344 534 G CA -0.520 44.608 45.100 0.047 0.000 0.855 534 G HN 0.799 nan 8.290 nan 0.000 0.537 535 T N 2.324 116.835 114.554 -0.073 0.000 2.940 535 T HA 0.369 4.719 4.350 0.000 0.000 0.309 535 T C -0.913 173.521 174.700 -0.443 0.000 1.056 535 T CA 0.243 62.233 62.100 -0.184 0.000 1.137 535 T CB 1.070 69.885 68.868 -0.089 0.000 0.976 535 T HN 0.421 nan 8.240 nan 0.000 0.547 536 P HA -0.155 nan 4.420 nan 0.000 0.217 536 P C 1.188 178.310 177.300 -0.297 0.000 1.148 536 P CA 1.085 63.728 63.100 -0.763 0.000 0.828 536 P CB 0.023 31.487 31.700 -0.392 0.000 0.783 537 D N -2.102 118.186 120.400 -0.186 0.000 2.317 537 D HA 0.024 4.664 4.640 0.000 0.000 0.211 537 D C 1.545 177.806 176.300 -0.065 0.000 0.966 537 D CA 1.089 55.034 54.000 -0.093 0.000 0.876 537 D CB -1.039 39.722 40.800 -0.064 0.000 0.927 537 D HN 0.248 nan 8.370 nan 0.000 0.519 538 G N 0.411 109.163 108.800 -0.080 0.000 2.176 538 G HA2 -0.366 3.594 3.960 0.000 0.000 0.253 538 G HA3 -0.366 3.594 3.960 0.000 0.000 0.253 538 G C 1.086 175.969 174.900 -0.028 0.000 0.979 538 G CA 0.413 45.490 45.100 -0.038 0.000 0.641 538 G HN 0.454 nan 8.290 nan 0.000 0.530 539 K N 0.395 120.778 120.400 -0.028 0.000 2.365 539 K HA 0.268 4.588 4.320 0.000 0.000 0.197 539 K C 1.475 178.075 176.600 -0.001 0.000 1.042 539 K CA 0.633 56.913 56.287 -0.012 0.000 0.987 539 K CB 0.287 32.782 32.500 -0.008 0.000 0.779 539 K HN 0.432 nan 8.250 nan 0.000 0.484 540 G N 0.624 109.422 108.800 -0.003 0.000 2.415 540 G HA2 0.088 4.048 3.960 0.000 0.000 0.327 540 G HA3 0.088 4.048 3.960 0.000 0.000 0.327 540 G C -0.292 174.602 174.900 -0.010 0.000 1.182 540 G CA -0.593 44.524 45.100 0.027 0.000 0.924 540 G HN -0.096 nan 8.290 nan 0.000 0.470 541 D N 1.000 121.376 120.400 -0.040 0.000 2.117 541 D HA -0.048 4.592 4.640 0.000 0.000 0.198 541 D C 0.164 176.203 176.300 -0.435 0.000 0.982 541 D CA 1.333 55.169 54.000 -0.272 0.000 0.828 541 D CB 0.132 40.691 40.800 -0.401 0.000 0.967 541 D HN 0.326 nan 8.370 nan 0.000 0.464 542 F N 0.383 120.396 119.950 0.105 0.000 2.538 542 F HA 0.248 4.775 4.527 0.000 0.000 0.325 542 F C 0.550 176.372 175.800 0.037 0.000 1.066 542 F CA -1.244 56.793 58.000 0.061 0.000 0.946 542 F CB 1.465 40.540 39.000 0.126 0.000 1.199 542 F HN -0.368 nan 8.300 nan 0.000 0.473 543 D N 2.168 122.656 120.400 0.147 0.000 2.396 543 D HA 0.119 4.759 4.640 0.000 0.000 0.225 543 D C 0.685 177.007 176.300 0.037 0.000 1.121 543 D CA -0.219 53.830 54.000 0.081 0.000 0.853 543 D CB 1.134 41.965 40.800 0.050 0.000 1.043 543 D HN 0.711 nan 8.370 nan 0.000 0.500 544 K N 2.682 123.170 120.400 0.145 0.000 2.057 544 K HA -0.138 4.183 4.320 0.000 0.000 0.207 544 K C 0.549 177.220 176.600 0.118 0.000 1.049 544 K CA 0.528 56.951 56.287 0.228 0.000 0.931 544 K CB 0.006 32.688 32.500 0.302 0.000 0.714 544 K HN 0.202 nan 8.250 nan 0.000 0.440 548 S N 1.138 116.866 115.700 0.046 0.000 2.406 548 S HA 0.213 4.683 4.470 0.000 0.000 0.228 548 S C 1.974 176.591 174.600 0.027 0.000 1.020 548 S CA 1.558 59.803 58.200 0.074 0.000 0.965 548 S CB -0.452 62.807 63.200 0.100 0.000 0.798 548 S HN 1.523 nan 8.310 nan 0.000 0.488 549 A N 1.115 123.962 122.820 0.044 0.000 1.902 549 A HA -0.034 4.286 4.320 0.000 0.000 0.217 549 A C 2.049 179.570 177.584 -0.104 0.000 1.181 549 A CA 1.536 53.564 52.037 -0.015 0.000 0.623 549 A CB -1.232 17.826 19.000 0.096 0.000 0.818 549 A HN 0.650 nan 8.150 nan 0.000 0.443 550 Y N 0.485 120.732 120.300 -0.088 0.000 2.145 550 Y HA -0.121 4.429 4.550 0.000 0.000 0.286 550 Y C 1.836 177.668 175.900 -0.114 0.000 1.145 550 Y CA 1.902 59.941 58.100 -0.103 0.000 1.148 550 Y CB -0.351 38.105 38.460 -0.007 0.000 0.981 550 Y HN 0.187 nan 8.280 nan 0.000 0.507 551 L N 0.150 121.280 121.223 -0.156 0.000 2.362 551 L HA -0.123 4.217 4.340 0.000 0.000 0.219 551 L C 2.667 179.401 176.870 -0.228 0.000 1.134 551 L CA 1.075 55.784 54.840 -0.219 0.000 0.807 551 L CB -0.447 41.602 42.059 -0.017 0.000 0.927 551 L HN 0.176 nan 8.230 nan 0.000 0.447 552 R N 0.469 120.846 120.500 -0.206 0.000 2.093 552 R HA -0.064 4.276 4.340 0.000 0.000 0.224 552 R C 2.198 178.349 176.300 -0.247 0.000 1.101 552 R CA 0.924 56.910 56.100 -0.190 0.000 0.979 552 R CB -0.015 30.190 30.300 -0.157 0.000 0.877 552 R HN 0.325 nan 8.270 nan 0.000 0.441 553 L N 0.648 121.667 121.223 -0.340 0.000 2.291 553 L HA -0.063 4.278 4.340 0.000 0.000 0.214 553 L C 1.769 178.437 176.870 -0.336 0.000 1.120 553 L CA 0.611 55.241 54.840 -0.350 0.000 0.799 553 L CB 0.191 41.989 42.059 -0.434 0.000 0.925 553 L HN 0.148 nan 8.230 nan 0.000 0.446 554 V N -4.633 115.028 119.914 -0.422 0.000 3.427 554 V HA 0.213 4.333 4.120 0.000 0.000 0.305 554 V C 1.010 176.966 176.094 -0.229 0.000 1.412 554 V CA -0.328 61.767 62.300 -0.341 0.000 1.086 554 V CB -0.341 31.206 31.823 -0.460 0.000 0.964 554 V HN 0.305 nan 8.190 nan 0.000 0.439 555 S N 1.551 117.128 115.700 -0.205 0.000 2.546 555 S HA 0.127 4.597 4.470 0.000 0.000 0.290 555 S C 1.386 175.921 174.600 -0.108 0.000 1.290 555 S CA 0.406 58.522 58.200 -0.139 0.000 1.069 555 S CB 1.124 64.250 63.200 -0.123 0.000 0.846 555 S HN 0.894 nan 8.310 nan 0.000 0.495 556 S N 2.720 118.370 115.700 -0.084 0.000 2.357 556 S HA -0.024 4.447 4.470 0.000 0.000 0.221 556 S C 0.501 175.066 174.600 -0.058 0.000 1.031 556 S CA 0.410 58.570 58.200 -0.066 0.000 0.982 556 S CB -1.426 61.743 63.200 -0.052 0.000 0.853 556 S HN 1.156 nan 8.310 nan 0.000 0.458 570 K N 1.202 121.585 120.400 -0.029 0.000 2.240 570 K HA 0.596 4.916 4.320 0.000 0.000 0.271 570 K C -0.513 176.075 176.600 -0.020 0.000 1.018 570 K CA -0.511 55.763 56.287 -0.021 0.000 0.874 570 K CB 1.012 33.497 32.500 -0.024 0.000 1.098 570 K HN 0.407 nan 8.250 nan 0.000 0.458 571 V N 0.396 120.307 119.914 -0.004 0.000 3.114 571 V HA 0.385 4.505 4.120 0.000 0.000 0.308 571 V C 0.642 176.738 176.094 0.003 0.000 1.168 571 V CA -0.496 61.807 62.300 0.004 0.000 1.015 571 V CB 1.427 33.272 31.823 0.037 0.000 1.050 571 V HN 0.843 nan 8.190 nan 0.000 0.433 572 S N 1.329 117.031 115.700 0.002 0.000 2.398 572 S HA 0.055 4.525 4.470 0.000 0.000 0.220 572 S C 0.899 175.499 174.600 -0.001 0.000 1.046 572 S CA 0.908 59.107 58.200 -0.001 0.000 0.953 572 S CB -0.594 62.605 63.200 -0.002 0.000 0.856 572 S HN 1.020 nan 8.310 nan 0.000 0.506 573 N N 1.717 120.418 118.700 0.002 0.000 2.447 573 N HA 0.383 5.123 4.740 0.000 0.000 0.263 573 N C 0.920 176.422 175.510 -0.013 0.000 1.226 573 N CA 0.588 53.636 53.050 -0.004 0.000 0.906 573 N CB 1.028 39.514 38.487 -0.001 0.000 1.060 573 N HN 0.381 nan 8.380 nan 0.000 0.468 574 A N 3.958 126.763 122.820 -0.026 0.000 1.877 574 A HA -0.224 4.096 4.320 0.000 0.000 0.216 574 A C 1.896 179.452 177.584 -0.047 0.000 1.186 574 A CA 1.539 53.551 52.037 -0.041 0.000 0.620 574 A CB -0.651 18.311 19.000 -0.063 0.000 0.822 574 A HN 0.891 nan 8.150 nan 0.000 0.443 575 Q N -0.273 119.495 119.800 -0.054 0.000 2.224 575 Q HA -0.175 4.165 4.340 0.000 0.000 0.203 575 Q C 1.738 177.698 176.000 -0.067 0.000 0.970 575 Q CA 1.529 57.295 55.803 -0.061 0.000 0.865 575 Q CB -0.481 28.220 28.738 -0.062 0.000 0.922 575 Q HN 0.863 nan 8.270 nan 0.000 0.445 576 E N 1.487 121.656 120.200 -0.051 0.000 2.107 576 E HA -0.161 4.189 4.350 0.000 0.000 0.191 576 E C 2.237 178.823 176.600 -0.022 0.000 0.982 576 E CA 0.508 56.877 56.400 -0.052 0.000 0.809 576 E CB 0.086 29.786 29.700 0.000 0.000 0.756 576 E HN 0.304 nan 8.360 nan 0.000 0.459 577 R N 0.714 121.212 120.500 -0.003 0.000 2.096 577 R HA -0.131 4.210 4.340 0.000 0.000 0.235 577 R C 2.238 178.537 176.300 -0.002 0.000 1.127 577 R CA 1.497 57.603 56.100 0.011 0.000 0.968 577 R CB 0.073 30.375 30.300 0.002 0.000 0.861 577 R HN 0.011 nan 8.270 nan 0.000 0.440 578 K N 0.242 120.629 120.400 -0.022 0.000 1.991 578 K HA -0.149 4.171 4.320 0.000 0.000 0.212 578 K C 2.079 178.665 176.600 -0.024 0.000 1.049 578 K CA 1.993 58.267 56.287 -0.021 0.000 0.932 578 K CB -0.206 32.275 32.500 -0.031 0.000 0.717 578 K HN 0.204 nan 8.250 nan 0.000 0.441 579 I N 0.872 121.403 120.570 -0.066 0.000 2.163 579 I HA -0.298 3.872 4.170 0.000 0.000 0.243 579 I C 2.512 178.583 176.117 -0.077 0.000 1.085 579 I CA 1.271 62.509 61.300 -0.103 0.000 1.347 579 I CB -0.474 37.393 38.000 -0.222 0.000 1.044 579 I HN 0.176 nan 8.210 nan 0.000 0.408 580 A N 0.724 123.517 122.820 -0.044 0.000 1.908 580 A HA -0.273 4.047 4.320 0.000 0.000 0.218 580 A C 2.412 180.033 177.584 0.063 0.000 1.181 580 A CA 2.007 54.090 52.037 0.077 0.000 0.627 580 A CB -0.575 18.545 19.000 0.201 0.000 0.818 580 A HN 0.375 nan 8.150 nan 0.000 0.445 581 K N -0.499 119.923 120.400 0.038 0.000 2.032 581 K HA -0.202 4.119 4.320 0.000 0.000 0.209 581 K C 2.352 178.975 176.600 0.039 0.000 1.048 581 K CA 1.669 57.977 56.287 0.034 0.000 0.927 581 K CB -0.194 32.320 32.500 0.023 0.000 0.712 581 K HN 0.459 nan 8.250 nan 0.000 0.441 582 R N 0.638 121.163 120.500 0.042 0.000 2.081 582 R HA -0.097 4.243 4.340 0.000 0.000 0.235 582 R C 2.280 178.611 176.300 0.052 0.000 1.131 582 R CA 1.376 57.518 56.100 0.069 0.000 0.960 582 R CB -0.231 30.134 30.300 0.108 0.000 0.856 582 R HN 0.204 nan 8.270 nan 0.000 0.436 583 L N -0.002 121.239 121.223 0.030 0.000 2.056 583 L HA -0.142 4.198 4.340 0.000 0.000 0.207 583 L C 2.409 179.357 176.870 0.130 0.000 1.078 583 L CA 0.874 55.729 54.840 0.026 0.000 0.749 583 L CB -0.364 41.668 42.059 -0.045 0.000 0.901 583 L HN 0.097 nan 8.230 nan 0.000 0.433 584 V N -0.126 119.838 119.914 0.083 0.000 2.358 584 V HA -0.253 3.867 4.120 0.000 0.000 0.246 584 V C 2.328 178.438 176.094 0.027 0.000 1.047 584 V CA 1.724 64.061 62.300 0.063 0.000 1.035 584 V CB -0.430 31.420 31.823 0.045 0.000 0.658 584 V HN 0.448 nan 8.190 nan 0.000 0.452 585 E N 0.255 120.468 120.200 0.022 0.000 2.204 585 E HA -0.178 4.172 4.350 0.000 0.000 0.194 585 E C 1.368 177.953 176.600 -0.026 0.000 0.989 585 E CA 1.181 57.584 56.400 0.004 0.000 0.824 585 E CB -0.177 29.536 29.700 0.022 0.000 0.756 585 E HN 0.627 nan 8.360 nan 0.000 0.477 586 N N -0.615 118.057 118.700 -0.047 0.000 2.370 586 N HA 0.072 4.812 4.740 0.000 0.000 0.198 586 N C 0.444 175.760 175.510 -0.324 0.000 1.156 586 N CA 0.595 53.546 53.050 -0.165 0.000 0.839 586 N CB 1.086 39.381 38.487 -0.321 0.000 0.989 586 N HN 0.209 nan 8.380 nan 0.000 0.468 587 G N -0.393 108.287 108.800 -0.200 0.000 2.143 587 G HA2 -0.293 3.667 3.960 0.000 0.000 0.249 587 G HA3 -0.293 3.667 3.960 0.000 0.000 0.249 587 G C -0.104 174.620 174.900 -0.293 0.000 0.981 587 G CA -0.412 44.543 45.100 -0.242 0.000 0.665 587 G HN 0.274 nan 8.290 nan 0.000 0.528 588 F N 0.531 120.410 119.950 -0.119 0.000 2.443 588 F HA 0.675 5.202 4.527 0.000 0.000 0.353 588 F C 1.271 177.041 175.800 -0.051 0.000 1.101 588 F CA -0.053 57.895 58.000 -0.087 0.000 1.226 588 F CB 0.754 39.694 39.000 -0.100 0.000 1.140 588 F HN 0.041 nan 8.300 nan 0.000 0.557 589 R N 0.904 121.488 120.500 0.140 0.000 2.919 589 R HA 0.766 5.107 4.340 0.000 0.000 0.260 589 R C -0.800 175.538 176.300 0.063 0.000 1.067 589 R CA -1.216 54.924 56.100 0.067 0.000 1.003 589 R CB 1.601 31.911 30.300 0.016 0.000 1.192 589 R HN 0.719 nan 8.270 nan 0.000 0.488 590 A N 1.046 123.874 122.820 0.014 0.000 2.462 590 A HA 0.104 4.424 4.320 0.000 0.000 0.243 590 A C -0.209 177.366 177.584 -0.015 0.000 1.076 590 A CA -0.057 51.970 52.037 -0.017 0.000 0.773 590 A CB 0.098 19.065 19.000 -0.056 0.000 1.010 590 A HN 0.694 nan 8.150 nan 0.000 0.493 591 E N 1.903 122.089 120.200 -0.023 0.000 2.467 591 E HA 0.097 4.447 4.350 0.000 0.000 0.264 591 E C -1.935 174.638 176.600 -0.045 0.000 1.020 591 E CA -0.838 55.547 56.400 -0.025 0.000 0.945 591 E CB 0.213 29.891 29.700 -0.037 0.000 0.942 591 E HN 0.504 nan 8.360 nan 0.000 0.449 592 P HA 0.062 nan 4.420 nan 0.000 0.277 592 P C -0.888 176.364 177.300 -0.079 0.000 1.240 592 P CA -0.407 62.659 63.100 -0.057 0.000 0.798 592 P CB 0.524 32.196 31.700 -0.046 0.000 0.979 593 D N 2.936 123.271 120.400 -0.108 0.000 2.531 593 D HA 0.023 4.663 4.640 0.000 0.000 0.239 593 D C -1.760 174.444 176.300 -0.159 0.000 1.144 593 D CA -0.320 53.589 54.000 -0.153 0.000 0.869 593 D CB -0.576 40.112 40.800 -0.186 0.000 1.160 593 D HN 0.280 nan 8.370 nan 0.000 0.484 594 P HA -0.049 nan 4.420 nan 0.000 0.264 594 P C -0.309 176.916 177.300 -0.126 0.000 1.183 594 P CA 0.032 63.085 63.100 -0.078 0.000 0.763 594 P CB 0.709 32.391 31.700 -0.030 0.000 0.807 595 Q N 1.361 121.183 119.800 0.037 0.000 2.306 595 Q HA 0.666 5.006 4.340 0.000 0.000 0.265 595 Q C 0.829 176.947 176.000 0.197 0.000 1.022 595 Q CA -0.250 55.560 55.803 0.012 0.000 0.853 595 Q CB 2.360 31.076 28.738 -0.037 0.000 1.327 595 Q HN 0.844 nan 8.270 nan 0.000 0.449 596 G N 2.210 111.108 108.800 0.164 0.000 2.358 596 G HA2 -0.176 3.785 3.960 0.000 0.000 0.198 596 G HA3 -0.176 3.785 3.960 0.000 0.000 0.198 596 G C -1.121 173.922 174.900 0.238 0.000 1.220 596 G CA -0.470 44.726 45.100 0.160 0.000 1.187 596 G HN 0.580 nan 8.290 nan 0.000 0.544 597 N N -0.501 118.216 118.700 0.029 0.000 2.249 597 N HA 0.704 5.444 4.740 0.000 0.000 0.296 597 N C -0.962 174.349 175.510 -0.331 0.000 1.051 597 N CA -0.706 52.298 53.050 -0.075 0.000 0.815 597 N CB 1.808 40.265 38.487 -0.050 0.000 1.487 597 N HN 0.697 nan 8.380 nan 0.000 0.475 598 L N 2.324 123.362 121.223 -0.308 0.000 2.346 598 L HA 0.653 4.993 4.340 0.000 0.000 0.276 598 L C -0.914 175.882 176.870 -0.123 0.000 1.006 598 L CA -0.543 54.102 54.840 -0.326 0.000 0.817 598 L CB 1.507 43.380 42.059 -0.310 0.000 1.272 598 L HN 0.824 nan 8.230 nan 0.000 0.421 599 S N 4.810 120.461 115.700 -0.082 0.000 2.733 599 S HA 0.445 4.915 4.470 0.000 0.000 0.307 599 S C -0.972 173.639 174.600 0.018 0.000 1.127 599 S CA -0.777 57.423 58.200 -0.000 0.000 1.097 599 S CB 1.313 64.518 63.200 0.009 0.000 1.003 599 S HN 0.425 nan 8.310 nan 0.000 0.477 600 L N 4.857 126.121 121.223 0.068 0.000 2.312 600 L HA 0.477 4.817 4.340 0.000 0.000 0.287 600 L C 1.481 178.401 176.870 0.084 0.000 1.091 600 L CA 0.313 55.213 54.840 0.100 0.000 0.846 600 L CB 0.363 42.496 42.059 0.124 0.000 1.219 600 L HN 1.018 nan 8.230 nan 0.000 0.439 601 G N 2.956 111.770 108.800 0.025 0.000 2.421 601 G HA2 -0.255 3.705 3.960 0.000 0.000 0.216 601 G HA3 -0.255 3.705 3.960 0.000 0.000 0.216 601 G C 0.414 175.241 174.900 -0.121 0.000 1.171 601 G CA 0.251 45.289 45.100 -0.103 0.000 0.775 601 G HN 0.493 nan 8.290 nan 0.000 0.543 602 Y N 1.022 121.358 120.300 0.061 0.000 2.573 602 Y HA 0.417 4.967 4.550 0.000 0.000 0.346 602 Y C 1.400 177.532 175.900 0.386 0.000 1.198 602 Y CA 0.482 58.691 58.100 0.183 0.000 1.627 602 Y CB 0.378 38.808 38.460 -0.050 0.000 1.457 602 Y HN 0.268 nan 8.280 nan 0.000 0.483 603 G N -0.002 109.000 108.800 0.337 0.000 2.551 603 G HA2 -0.257 3.704 3.960 0.000 0.000 0.186 603 G HA3 -0.257 3.704 3.960 0.000 0.000 0.186 603 G C 0.269 175.185 174.900 0.027 0.000 1.002 603 G CA -0.465 44.682 45.100 0.078 0.000 0.723 603 G HN 0.707 nan 8.290 nan 0.000 0.481 604 C N 0.096 119.455 119.300 0.099 0.000 4.209 604 C HA -0.017 4.443 4.460 0.000 0.000 0.305 604 C C 0.480 175.627 174.990 0.262 0.000 1.339 604 C CA 0.491 59.618 59.018 0.181 0.000 2.062 604 C CB -2.387 25.461 27.740 0.180 0.000 1.307 604 C HN 1.223 nan 8.230 nan 0.000 0.706 605 V N 2.501 122.522 119.914 0.179 0.000 2.709 605 V HA 0.779 4.899 4.120 0.000 0.000 0.308 605 V C 0.064 176.215 176.094 0.094 0.000 1.062 605 V CA 0.002 62.339 62.300 0.062 0.000 0.901 605 V CB 2.237 34.020 31.823 -0.066 0.000 1.003 605 V HN 0.607 nan 8.190 nan 0.000 0.425 606 S N 2.978 118.673 115.700 -0.009 0.000 2.521 606 S HA 0.854 5.324 4.470 0.000 0.000 0.295 606 S C -1.192 173.276 174.600 -0.220 0.000 1.098 606 S CA -0.425 57.759 58.200 -0.027 0.000 0.999 606 S CB 1.664 64.989 63.200 0.208 0.000 1.034 606 S HN 0.502 nan 8.310 nan 0.000 0.483 607 V N 4.380 124.162 119.914 -0.221 0.000 2.577 607 V HA 0.517 4.637 4.120 0.000 0.000 0.303 607 V C -0.532 175.451 176.094 -0.186 0.000 1.042 607 V CA -0.735 61.475 62.300 -0.150 0.000 0.872 607 V CB 1.715 33.637 31.823 0.165 0.000 0.998 607 V HN 0.849 nan 8.190 nan 0.000 0.423 608 Q N 3.985 123.610 119.800 -0.292 0.000 2.282 608 Q HA 0.644 4.984 4.340 0.000 0.000 0.260 608 Q C -0.762 175.207 176.000 -0.052 0.000 0.964 608 Q CA -0.327 55.401 55.803 -0.126 0.000 0.880 608 Q CB 1.609 30.313 28.738 -0.057 0.000 1.286 608 Q HN 0.682 nan 8.270 nan 0.000 0.445 609 R N 3.146 123.542 120.500 -0.174 0.000 2.483 609 R HA 0.567 4.908 4.340 0.000 0.000 0.303 609 R C -0.977 174.920 176.300 -0.671 0.000 0.987 609 R CA -0.848 54.925 56.100 -0.544 0.000 0.881 609 R CB 1.344 31.215 30.300 -0.715 0.000 1.177 609 R HN 0.511 nan 8.270 nan 0.000 0.451 610 R N 2.039 121.729 120.500 -1.350 0.000 2.795 610 R HA 0.311 4.651 4.340 0.000 0.000 0.275 610 R C 0.262 175.877 176.300 -1.142 0.000 0.981 610 R CA -0.973 54.530 56.100 -0.996 0.000 0.917 610 R CB 1.657 31.591 30.300 -0.610 0.000 1.202 610 R HN 0.757 nan 8.270 nan 0.000 0.469 611 E N 1.022 120.902 120.200 -0.534 0.000 3.229 611 E HA -0.344 4.006 4.350 0.000 0.000 0.354 611 E C 0.635 177.023 176.600 -0.353 0.000 1.487 611 E CA 2.267 58.467 56.400 -0.333 0.000 1.617 611 E CB -0.833 28.772 29.700 -0.158 0.000 1.768 611 E HN 0.850 nan 8.360 nan 0.000 0.497 612 N N 0.784 119.338 118.700 -0.243 0.000 2.254 612 N HA 0.058 4.798 4.740 0.000 0.000 0.190 612 N C 0.469 175.903 175.510 -0.127 0.000 1.107 612 N CA 0.743 53.694 53.050 -0.165 0.000 0.869 612 N CB -0.422 38.028 38.487 -0.062 0.000 0.983 612 N HN 0.521 nan 8.380 nan 0.000 0.487 613 W N 1.614 122.855 121.300 -0.098 0.000 2.213 613 W HA 0.673 5.334 4.660 0.000 0.000 0.356 613 W C -0.535 175.911 176.519 -0.121 0.000 1.273 613 W CA -0.896 56.392 57.345 -0.096 0.000 1.391 613 W CB -0.069 29.346 29.460 -0.074 0.000 1.187 613 W HN -0.005 nan 8.180 nan 0.000 0.649 614 S N 0.145 116.060 115.700 0.357 0.000 2.564 614 S HA 0.764 5.234 4.470 0.000 0.000 0.274 614 S C -1.286 173.508 174.600 0.324 0.000 1.124 614 S CA -0.963 57.371 58.200 0.222 0.000 0.869 614 S CB 1.657 64.842 63.200 -0.025 0.000 1.105 614 S HN 1.034 nan 8.310 nan 0.000 0.472 615 A N 1.393 124.374 122.820 0.268 0.000 2.310 615 A HA 0.745 5.066 4.320 0.000 0.000 0.304 615 A C -0.597 177.000 177.584 0.023 0.000 1.231 615 A CA -0.828 51.305 52.037 0.159 0.000 0.799 615 A CB 1.014 20.158 19.000 0.239 0.000 1.162 615 A HN 1.682 nan 8.150 nan 0.000 0.486 616 V N 3.090 122.993 119.914 -0.018 0.000 2.384 616 V HA 0.794 4.914 4.120 0.000 0.000 0.287 616 V C 0.125 176.120 176.094 -0.166 0.000 1.020 616 V CA -0.011 62.242 62.300 -0.078 0.000 0.850 616 V CB 1.006 32.813 31.823 -0.026 0.000 0.987 616 V HN 1.410 nan 8.190 nan 0.000 0.436 617 A N 6.973 129.633 122.820 -0.266 0.000 2.305 617 A HA 0.897 5.217 4.320 0.000 0.000 0.322 617 A C -0.175 177.169 177.584 -0.401 0.000 1.187 617 A CA -0.854 50.906 52.037 -0.461 0.000 0.825 617 A CB 0.968 19.534 19.000 -0.723 0.000 1.164 617 A HN 1.008 nan 8.150 nan 0.000 0.498 618 R N 1.783 122.135 120.500 -0.246 0.000 2.574 618 R HA 0.590 4.930 4.340 0.000 0.000 0.288 618 R C -0.012 176.382 176.300 0.156 0.000 1.004 618 R CA 0.005 56.068 56.100 -0.063 0.000 0.895 618 R CB 1.858 32.145 30.300 -0.021 0.000 1.191 618 R HN 0.967 nan 8.270 nan 0.000 0.444 619 G N 1.728 110.742 108.800 0.357 0.000 3.251 619 G HA2 0.534 4.494 3.960 0.000 0.000 0.248 619 G HA3 0.534 4.494 3.960 0.000 0.000 0.248 619 G C -1.339 173.809 174.900 0.414 0.000 1.320 619 G CA -0.386 44.998 45.100 0.473 0.000 0.982 619 G HN 0.739 nan 8.290 nan 0.000 0.575 620 H N -1.941 117.265 119.070 0.228 0.000 3.017 620 H HA 0.754 5.310 4.556 0.000 0.000 0.346 620 H C -0.708 174.716 175.328 0.160 0.000 1.286 620 H CA -0.229 55.921 56.048 0.171 0.000 1.120 620 H CB 1.278 31.156 29.762 0.194 0.000 1.860 620 H HN 0.850 nan 8.280 nan 0.000 0.542 621 S N 0.490 116.294 115.700 0.172 0.000 2.900 621 S HA 0.335 4.805 4.470 0.000 0.000 0.320 621 S C 0.896 175.563 174.600 0.112 0.000 1.130 621 S CA -0.631 57.608 58.200 0.066 0.000 0.863 621 S CB 1.893 65.142 63.200 0.081 0.000 1.295 621 S HN 0.883 nan 8.310 nan 0.000 0.596 622 R N -0.286 120.127 120.500 -0.145 0.000 2.323 622 R HA 0.149 4.490 4.340 0.000 0.000 0.198 622 R C 0.342 176.490 176.300 -0.254 0.000 0.988 622 R CA 0.833 56.834 56.100 -0.165 0.000 1.041 622 R CB -0.659 29.409 30.300 -0.387 0.000 0.926 622 R HN 0.733 nan 8.270 nan 0.000 0.476 623 Y N 0.300 120.691 120.300 0.152 0.000 2.535 623 Y HA 0.368 4.919 4.550 0.000 0.000 0.264 623 Y C 0.543 176.568 175.900 0.209 0.000 1.087 623 Y CA -0.678 57.544 58.100 0.202 0.000 1.285 623 Y CB 0.800 39.301 38.460 0.068 0.000 1.200 623 Y HN -0.131 nan 8.280 nan 0.000 0.514 624 L N 1.847 123.251 121.223 0.300 0.000 2.356 624 L HA 0.284 4.624 4.340 0.000 0.000 0.277 624 L C -0.498 176.497 176.870 0.208 0.000 0.996 624 L CA -1.099 53.817 54.840 0.127 0.000 0.822 624 L CB 1.017 43.105 42.059 0.049 0.000 1.256 624 L HN 0.184 nan 8.230 nan 0.000 0.413 625 W N 1.745 123.186 121.300 0.236 0.000 2.150 625 W HA 0.464 5.124 4.660 0.000 0.000 0.341 625 W C 0.407 176.972 176.519 0.077 0.000 1.276 625 W CA -0.315 57.161 57.345 0.220 0.000 1.238 625 W CB 0.451 30.010 29.460 0.166 0.000 1.128 625 W HN 0.657 nan 8.180 nan 0.000 0.581 626 A N 2.964 125.948 122.820 0.272 0.000 1.840 626 A HA 0.375 4.695 4.320 0.000 0.000 0.214 626 A C 0.801 178.549 177.584 0.273 0.000 1.198 626 A CA 1.677 53.691 52.037 -0.038 0.000 0.608 626 A CB -0.882 17.833 19.000 -0.474 0.000 0.839 626 A HN 0.960 nan 8.150 nan 0.000 0.443 627 A N -0.845 122.158 122.820 0.306 0.000 2.520 627 A HA 0.576 4.896 4.320 0.000 0.000 0.298 627 A C -0.749 176.569 177.584 -0.443 0.000 1.051 627 A CA -0.374 51.686 52.037 0.038 0.000 0.690 627 A CB 0.811 19.699 19.000 -0.187 0.000 1.281 627 A HN 0.347 nan 8.150 nan 0.000 0.402 628 E N 1.914 121.716 120.200 -0.663 0.000 2.194 628 E HA 0.373 4.724 4.350 0.000 0.000 0.284 628 E C -1.015 175.194 176.600 -0.651 0.000 1.035 628 E CA -0.350 55.589 56.400 -0.767 0.000 0.836 628 E CB 0.376 29.662 29.700 -0.691 0.000 1.070 628 E HN 0.685 nan 8.360 nan 0.000 0.401 629 H N 4.300 123.305 119.070 -0.108 0.000 2.589 629 H HA 0.249 4.805 4.556 0.000 0.000 0.335 629 H C -0.963 174.508 175.328 0.239 0.000 1.019 629 H CA -0.526 55.512 56.048 -0.016 0.000 1.213 629 H CB 0.577 30.298 29.762 -0.069 0.000 1.472 629 H HN 0.506 nan 8.280 nan 0.000 0.508 630 Y N 0.778 121.121 120.300 0.071 0.000 2.621 630 Y HA 0.260 4.811 4.550 0.000 0.000 0.334 630 Y C 0.553 176.493 175.900 0.067 0.000 1.074 630 Y CA -1.433 56.722 58.100 0.092 0.000 1.149 630 Y CB 1.155 39.715 38.460 0.166 0.000 1.302 630 Y HN 0.437 nan 8.280 nan 0.000 0.501 631 L N 1.499 122.827 121.223 0.176 0.000 2.534 631 L HA 0.209 4.549 4.340 0.000 0.000 0.271 631 L C 1.110 177.993 176.870 0.021 0.000 1.178 631 L CA 0.942 55.817 54.840 0.058 0.000 0.907 631 L CB -0.268 41.802 42.059 0.018 0.000 1.164 631 L HN 0.990 nan 8.230 nan 0.000 0.482 632 G N 2.437 111.171 108.800 -0.110 0.000 2.179 632 G HA2 -0.288 3.673 3.960 0.000 0.000 0.257 632 G HA3 -0.288 3.673 3.960 0.000 0.000 0.257 632 G C -0.099 174.464 174.900 -0.562 0.000 1.010 632 G CA 0.082 45.007 45.100 -0.291 0.000 0.736 632 G HN 0.807 nan 8.290 nan 0.000 0.513 633 H N -1.671 117.415 119.070 0.028 0.000 3.017 633 H HA 0.478 5.034 4.556 0.000 0.000 0.340 633 H C 0.232 175.518 175.328 -0.069 0.000 1.014 633 H CA -0.338 55.711 56.048 0.001 0.000 1.341 633 H CB 1.330 31.095 29.762 0.004 0.000 1.739 633 H HN 0.238 nan 8.280 nan 0.000 0.506 634 N N 2.790 121.485 118.700 -0.008 0.000 2.648 634 N HA -0.174 4.566 4.740 0.000 0.000 0.265 634 N C -0.182 175.239 175.510 -0.147 0.000 1.100 634 N CA 0.379 53.365 53.050 -0.106 0.000 0.715 634 N CB -0.635 37.786 38.487 -0.110 0.000 0.881 634 N HN 0.733 nan 8.380 nan 0.000 0.548 635 L N -0.408 120.543 121.223 -0.453 0.000 2.109 635 L HA -0.092 4.248 4.340 0.000 0.000 0.207 635 L C 0.963 177.288 176.870 -0.909 0.000 1.086 635 L CA 1.180 55.549 54.840 -0.785 0.000 0.760 635 L CB -0.339 40.960 42.059 -1.267 0.000 0.910 635 L HN 0.413 nan 8.230 nan 0.000 0.437 636 Y N -1.015 118.970 120.300 -0.525 0.000 2.612 636 Y HA 0.308 4.858 4.550 0.000 0.000 0.250 636 Y C 1.806 177.464 175.900 -0.403 0.000 1.175 636 Y CA -0.349 57.405 58.100 -0.577 0.000 1.205 636 Y CB 0.262 38.226 38.460 -0.826 0.000 1.201 636 Y HN -0.018 nan 8.280 nan 0.000 0.532 637 G N 0.361 109.086 108.800 -0.124 0.000 3.379 637 G HA2 -0.010 3.950 3.960 0.000 0.000 0.253 637 G HA3 -0.010 3.950 3.960 0.000 0.000 0.253 637 G C 1.431 176.379 174.900 0.081 0.000 1.262 637 G CA -0.279 44.860 45.100 0.066 0.000 0.959 637 G HN 0.302 nan 8.290 nan 0.000 0.524 638 R N -0.607 119.786 120.500 -0.178 0.000 2.139 638 R HA -0.161 4.179 4.340 0.000 0.000 0.243 638 R C 0.842 176.967 176.300 -0.293 0.000 1.145 638 R CA 1.328 57.221 56.100 -0.345 0.000 0.976 638 R CB -0.061 29.736 30.300 -0.838 0.000 0.866 638 R HN 0.481 nan 8.270 nan 0.000 0.449 639 Y N -0.249 119.983 120.300 -0.112 0.000 2.468 639 Y HA 0.151 4.701 4.550 0.000 0.000 0.268 639 Y C 1.481 177.445 175.900 0.106 0.000 1.177 639 Y CA -0.361 57.614 58.100 -0.208 0.000 1.265 639 Y CB -0.110 38.238 38.460 -0.187 0.000 1.103 639 Y HN -0.003 nan 8.280 nan 0.000 0.522 640 L N -0.391 120.989 121.223 0.262 0.000 2.189 640 L HA -0.200 4.140 4.340 0.000 0.000 0.214 640 L C 1.840 178.866 176.870 0.260 0.000 1.097 640 L CA 1.582 56.575 54.840 0.254 0.000 0.764 640 L CB -0.216 41.951 42.059 0.179 0.000 0.900 640 L HN 0.269 nan 8.230 nan 0.000 0.436 641 A N -2.918 120.099 122.820 0.330 0.000 2.606 641 A HA 0.137 4.457 4.320 0.000 0.000 0.290 641 A C 0.598 178.553 177.584 0.617 0.000 1.174 641 A CA -0.401 51.873 52.037 0.394 0.000 0.958 641 A CB -0.423 18.764 19.000 0.312 0.000 1.194 641 A HN 0.321 nan 8.150 nan 0.000 0.526 642 H N 0.734 120.051 119.070 0.412 0.000 2.989 642 H HA 0.235 4.792 4.556 0.000 0.000 0.284 642 H C 1.230 176.778 175.328 0.367 0.000 1.440 642 H CA 0.387 56.688 56.048 0.421 0.000 1.209 642 H CB -0.161 29.832 29.762 0.386 0.000 1.453 642 H HN 0.691 nan 8.280 nan 0.000 0.550 643 G N 2.273 111.351 108.800 0.464 0.000 2.324 643 G HA2 -0.299 3.661 3.960 0.000 0.000 0.292 643 G HA3 -0.299 3.661 3.960 0.000 0.000 0.292 643 G C 0.355 175.551 174.900 0.493 0.000 1.079 643 G CA 0.363 45.758 45.100 0.492 0.000 1.026 643 G HN 0.536 nan 8.290 nan 0.000 0.506 644 S N -0.299 115.607 115.700 0.343 0.000 2.593 644 S HA 0.720 5.191 4.470 0.000 0.000 0.269 644 S C 0.244 174.901 174.600 0.095 0.000 1.334 644 S CA -0.630 57.720 58.200 0.251 0.000 1.015 644 S CB 2.416 65.736 63.200 0.200 0.000 0.912 644 S HN 1.337 nan 8.310 nan 0.000 0.541 645 L N 1.998 123.264 121.223 0.071 0.000 2.573 645 L HA 0.393 4.733 4.340 0.000 0.000 0.260 645 L C -0.925 175.970 176.870 0.041 0.000 0.997 645 L CA -0.050 54.727 54.840 -0.105 0.000 0.890 645 L CB 1.300 43.179 42.059 -0.299 0.000 1.179 645 L HN 1.060 nan 8.230 nan 0.000 0.439 646 Q N 4.027 123.841 119.800 0.024 0.000 2.271 646 Q HA 0.535 4.876 4.340 0.000 0.000 0.258 646 Q C -0.637 175.403 176.000 0.067 0.000 0.936 646 Q CA -0.799 55.045 55.803 0.069 0.000 0.909 646 Q CB 1.829 30.585 28.738 0.029 0.000 1.253 646 Q HN 0.669 nan 8.270 nan 0.000 0.440 647 I N 2.079 122.707 120.570 0.097 0.000 2.307 647 I HA 0.349 4.519 4.170 0.000 0.000 0.289 647 I C -1.167 174.993 176.117 0.071 0.000 1.021 647 I CA -0.370 60.973 61.300 0.072 0.000 1.224 647 I CB 0.635 38.644 38.000 0.015 0.000 1.376 647 I HN 0.403 nan 8.210 nan 0.000 0.470 648 L N 6.472 127.746 121.223 0.084 0.000 2.260 648 L HA 0.658 4.998 4.340 0.000 0.000 0.289 648 L C 0.424 177.352 176.870 0.096 0.000 1.057 648 L CA -0.037 54.845 54.840 0.071 0.000 0.811 648 L CB 1.168 43.258 42.059 0.051 0.000 1.184 648 L HN 0.814 nan 8.230 nan 0.000 0.429 649 T N 2.060 116.650 114.554 0.060 0.000 2.816 649 T HA 0.890 5.241 4.350 0.000 0.000 0.299 649 T C -1.716 172.995 174.700 0.019 0.000 1.230 649 T CA -0.278 61.860 62.100 0.064 0.000 1.007 649 T CB 2.032 70.912 68.868 0.020 0.000 1.289 649 T HN 0.722 nan 8.240 nan 0.000 0.508 650 A N 2.176 125.007 122.820 0.017 0.000 2.599 650 A HA 0.757 5.077 4.320 0.000 0.000 0.294 650 A C -3.180 174.398 177.584 -0.009 0.000 1.055 650 A CA -1.259 50.774 52.037 -0.008 0.000 0.683 650 A CB 0.928 19.923 19.000 -0.009 0.000 1.278 650 A HN 0.586 nan 8.150 nan 0.000 0.412 651 P HA 0.294 nan 4.420 nan 0.000 0.263 651 P C -2.482 174.810 177.300 -0.013 0.000 1.195 651 P CA -0.300 62.786 63.100 -0.022 0.000 0.762 651 P CB -0.324 31.359 31.700 -0.029 0.000 0.799 652 P HA -0.054 nan 4.420 nan 0.000 0.259 652 P C 1.128 178.417 177.300 -0.019 0.000 1.163 652 P CA 1.738 64.833 63.100 -0.008 0.000 0.760 652 P CB -0.059 31.640 31.700 -0.002 0.000 0.762 653 G N 2.163 110.947 108.800 -0.027 0.000 2.284 653 G HA2 -0.192 3.768 3.960 0.000 0.000 0.216 653 G HA3 -0.192 3.768 3.960 0.000 0.000 0.216 653 G C 0.072 174.951 174.900 -0.034 0.000 1.009 653 G CA -0.430 44.652 45.100 -0.031 0.000 0.625 653 G HN 0.553 nan 8.290 nan 0.000 0.501 654 Q N 1.375 121.156 119.800 -0.031 0.000 2.214 654 Q HA 0.541 4.881 4.340 0.000 0.000 0.251 654 Q C 0.447 176.424 176.000 -0.038 0.000 0.936 654 Q CA 0.128 55.911 55.803 -0.033 0.000 0.894 654 Q CB 1.433 30.154 28.738 -0.027 0.000 1.252 654 Q HN 0.450 nan 8.270 nan 0.000 0.448 655 T N -1.842 112.686 114.554 -0.043 0.000 2.851 655 T HA 0.273 4.624 4.350 0.000 0.000 0.298 655 T C 0.166 174.842 174.700 -0.040 0.000 0.977 655 T CA -0.800 61.270 62.100 -0.051 0.000 1.126 655 T CB 0.427 69.258 68.868 -0.062 0.000 0.916 655 T HN 0.253 nan 8.240 nan 0.000 0.529 656 V N 5.184 125.074 119.914 -0.040 0.000 2.521 656 V HA 0.348 4.468 4.120 0.000 0.000 0.286 656 V C 0.768 176.848 176.094 -0.022 0.000 1.034 656 V CA -0.116 62.170 62.300 -0.024 0.000 1.045 656 V CB 0.064 31.876 31.823 -0.019 0.000 0.974 656 V HN 1.187 nan 8.190 nan 0.000 0.480 657 T N 5.460 120.010 114.554 -0.006 0.000 2.903 657 T HA 0.384 4.735 4.350 0.000 0.000 0.299 657 T C -2.151 172.570 174.700 0.035 0.000 1.093 657 T CA -1.455 60.647 62.100 0.004 0.000 1.002 657 T CB 2.081 70.950 68.868 0.003 0.000 1.127 657 T HN 0.262 nan 8.240 nan 0.000 0.488 658 P HA -0.140 nan 4.420 nan 0.000 0.216 658 P C 1.613 179.012 177.300 0.166 0.000 1.153 658 P CA 1.392 64.573 63.100 0.134 0.000 0.858 658 P CB -0.259 31.557 31.700 0.194 0.000 0.789 659 T N -0.986 113.636 114.554 0.114 0.000 2.699 659 T HA -0.152 4.198 4.350 0.000 0.000 0.268 659 T C 1.617 176.337 174.700 0.034 0.000 1.036 659 T CA 2.268 64.403 62.100 0.059 0.000 1.147 659 T CB -1.392 67.493 68.868 0.028 0.000 0.862 659 T HN 0.269 nan 8.240 nan 0.000 0.446 660 T N 1.454 116.024 114.554 0.027 0.000 2.985 660 T HA 0.008 4.358 4.350 0.000 0.000 0.266 660 T C 2.125 176.827 174.700 0.004 0.000 1.076 660 T CA 0.794 62.898 62.100 0.006 0.000 1.135 660 T CB -0.192 68.674 68.868 -0.003 0.000 0.890 660 T HN 0.291 nan 8.240 nan 0.000 0.480 661 S N 0.488 116.211 115.700 0.039 0.000 2.603 661 S HA 0.367 4.837 4.470 0.000 0.000 0.220 661 S C 1.623 176.272 174.600 0.081 0.000 0.967 661 S CA 0.355 58.585 58.200 0.051 0.000 0.920 661 S CB -0.207 63.038 63.200 0.076 0.000 0.773 661 S HN 0.802 nan 8.310 nan 0.000 0.529 662 G N 0.883 109.728 108.800 0.075 0.000 2.171 662 G HA2 -0.253 3.707 3.960 0.000 0.000 0.238 662 G HA3 -0.253 3.707 3.960 0.000 0.000 0.238 662 G C -0.456 174.523 174.900 0.131 0.000 1.039 662 G CA -0.153 44.989 45.100 0.071 0.000 0.759 662 G HN 0.513 nan 8.290 nan 0.000 0.501 663 W N 1.093 122.374 121.300 -0.032 0.000 2.739 663 W HA 0.692 5.352 4.660 0.000 0.000 0.331 663 W C 0.018 176.522 176.519 -0.025 0.000 1.049 663 W CA -0.597 56.752 57.345 0.006 0.000 1.234 663 W CB 1.207 30.658 29.460 -0.015 0.000 1.404 663 W HN 0.507 nan 8.180 nan 0.000 0.477 664 Q N 3.108 122.462 119.800 -0.744 0.000 2.544 664 Q HA 0.320 4.660 4.340 0.000 0.000 0.291 664 Q C -0.080 175.047 176.000 -1.455 0.000 1.068 664 Q CA -0.817 54.515 55.803 -0.785 0.000 0.785 664 Q CB 2.405 30.944 28.738 -0.332 0.000 1.481 664 Q HN 0.666 nan 8.270 nan 0.000 0.430 665 Q N 0.070 119.342 119.800 -0.880 0.000 2.062 665 Q HA -0.040 4.300 4.340 0.000 0.000 0.196 665 Q C -0.238 175.655 176.000 -0.178 0.000 0.967 665 Q CA 0.846 56.332 55.803 -0.528 0.000 0.832 665 Q CB 0.395 29.158 28.738 0.041 0.000 0.899 665 Q HN 0.677 nan 8.270 nan 0.000 0.442 666 E N -0.028 120.148 120.200 -0.040 0.000 2.406 666 E HA 0.093 4.443 4.350 0.000 0.000 0.258 666 E C 0.552 177.253 176.600 0.168 0.000 1.043 666 E CA 0.862 57.299 56.400 0.060 0.000 0.929 666 E CB 0.475 30.207 29.700 0.054 0.000 0.969 666 E HN 0.528 nan 8.360 nan 0.000 0.462 667 G N 3.139 111.964 108.800 0.043 0.000 2.195 667 G HA2 -0.314 3.646 3.960 0.000 0.000 0.246 667 G HA3 -0.314 3.646 3.960 0.000 0.000 0.246 667 G C -0.142 174.324 174.900 -0.722 0.000 0.984 667 G CA -0.058 45.000 45.100 -0.070 0.000 0.633 667 G HN 0.545 nan 8.290 nan 0.000 0.525 668 F N 2.938 122.280 119.950 -1.014 0.000 2.541 668 F HA 0.494 5.022 4.527 0.000 0.000 0.378 668 F C 0.451 175.538 175.800 -1.189 0.000 1.068 668 F CA -1.074 55.955 58.000 -1.618 0.000 1.199 668 F CB 0.777 38.930 39.000 -1.411 0.000 1.091 668 F HN 0.053 nan 8.300 nan 0.000 0.555 669 D N 6.276 125.758 120.400 -1.531 0.000 2.344 669 D HA -0.052 4.588 4.640 0.000 0.000 0.253 669 D C 0.450 176.035 176.300 -1.192 0.000 1.255 669 D CA 0.002 53.391 54.000 -1.018 0.000 0.894 669 D CB 0.174 40.591 40.800 -0.638 0.000 1.067 669 D HN 0.669 nan 8.370 nan 0.000 0.492 670 W N 2.850 123.757 121.300 -0.654 0.000 2.525 670 W HA -0.041 4.619 4.660 0.000 0.000 0.259 670 W C 1.954 178.361 176.519 -0.186 0.000 1.253 670 W CA -0.283 56.856 57.345 -0.343 0.000 1.262 670 W CB -0.052 29.355 29.460 -0.089 0.000 1.122 670 W HN 0.412 nan 8.180 nan 0.000 0.607 671 N N 0.589 119.249 118.700 -0.067 0.000 2.244 671 N HA -0.065 4.675 4.740 0.000 0.000 0.183 671 N C 0.646 176.167 175.510 0.018 0.000 1.016 671 N CA 0.970 54.046 53.050 0.043 0.000 0.866 671 N CB -0.284 38.018 38.487 -0.308 0.000 0.980 671 N HN 0.220 nan 8.380 nan 0.000 0.430 672 R N 1.291 121.700 120.500 -0.152 0.000 4.048 672 R HA 0.265 4.605 4.340 0.000 0.000 0.290 672 R C -0.327 175.930 176.300 -0.073 0.000 1.519 672 R CA -0.316 55.701 56.100 -0.139 0.000 1.446 672 R CB 0.244 30.415 30.300 -0.215 0.000 1.455 672 R HN 0.027 nan 8.270 nan 0.000 0.706 673 I N 2.578 123.211 120.570 0.106 0.000 2.668 673 I HA 0.047 4.218 4.170 0.000 0.000 0.285 673 I C -1.923 174.338 176.117 0.239 0.000 1.168 673 I CA -2.724 58.753 61.300 0.296 0.000 1.424 673 I CB 0.006 38.221 38.000 0.358 0.000 1.377 673 I HN -0.054 nan 8.210 nan 0.000 0.560 674 P HA 0.040 nan 4.420 nan 0.000 0.260 674 P C 0.953 178.398 177.300 0.241 0.000 1.172 674 P CA 1.007 64.252 63.100 0.242 0.000 0.760 674 P CB 0.426 32.293 31.700 0.279 0.000 0.773 675 G N 1.521 110.466 108.800 0.242 0.000 2.268 675 G HA2 -0.241 3.719 3.960 0.000 0.000 0.240 675 G HA3 -0.241 3.719 3.960 0.000 0.000 0.240 675 G C 0.230 175.313 174.900 0.306 0.000 1.010 675 G CA 0.114 45.423 45.100 0.348 0.000 0.618 675 G HN 0.711 nan 8.290 nan 0.000 0.516 676 V N -0.334 119.724 119.914 0.241 0.000 2.881 676 V HA 0.768 4.888 4.120 0.000 0.000 0.303 676 V C 0.364 176.549 176.094 0.152 0.000 1.070 676 V CA 0.382 62.830 62.300 0.246 0.000 1.074 676 V CB 1.465 33.445 31.823 0.262 0.000 1.012 676 V HN 0.426 nan 8.190 nan 0.000 0.482 677 T N 4.294 118.975 114.554 0.213 0.000 2.756 677 T HA 0.682 5.032 4.350 0.000 0.000 0.290 677 T C -0.060 174.769 174.700 0.216 0.000 0.985 677 T CA 0.071 62.296 62.100 0.208 0.000 0.955 677 T CB 0.671 69.698 68.868 0.264 0.000 0.930 677 T HN 1.366 nan 8.240 nan 0.000 0.451 678 S N 2.570 118.235 115.700 -0.059 0.000 2.565 678 S HA 0.658 5.128 4.470 0.000 0.000 0.269 678 S C -0.959 173.383 174.600 -0.430 0.000 1.153 678 S CA -1.101 56.778 58.200 -0.536 0.000 0.835 678 S CB 0.830 63.218 63.200 -1.353 0.000 1.122 678 S HN 0.554 nan 8.310 nan 0.000 0.462 679 I N 2.940 123.216 120.570 -0.489 0.000 2.352 679 I HA 0.222 4.392 4.170 0.000 0.000 0.290 679 I C 0.599 176.691 176.117 -0.042 0.000 1.036 679 I CA -0.466 60.742 61.300 -0.152 0.000 1.336 679 I CB 0.522 38.478 38.000 -0.073 0.000 1.407 679 I HN 0.713 nan 8.210 nan 0.000 0.497 680 H N 7.295 126.335 119.070 -0.049 0.000 3.015 680 H HA 0.218 4.775 4.556 0.000 0.000 0.268 680 H C -1.031 174.232 175.328 -0.109 0.000 1.113 680 H CA -0.336 55.682 56.048 -0.049 0.000 1.479 680 H CB 0.634 30.367 29.762 -0.049 0.000 1.493 680 H HN 0.294 nan 8.280 nan 0.000 0.486 681 L N 7.933 128.936 121.223 -0.367 0.000 2.334 681 L HA 0.397 4.737 4.340 0.000 0.000 0.270 681 L C -1.970 174.639 176.870 -0.434 0.000 1.018 681 L CA -2.465 52.090 54.840 -0.475 0.000 0.811 681 L CB 1.310 43.163 42.059 -0.343 0.000 1.271 681 L HN 0.594 nan 8.230 nan 0.000 0.443 682 P HA 0.101 nan 4.420 nan 0.000 0.271 682 P C 0.610 177.793 177.300 -0.196 0.000 1.218 682 P CA -0.467 62.499 63.100 -0.223 0.000 0.780 682 P CB 0.582 32.190 31.700 -0.153 0.000 0.901 683 L N 2.462 123.586 121.223 -0.164 0.000 2.187 683 L HA -0.178 4.162 4.340 0.000 0.000 0.213 683 L C 1.790 178.672 176.870 0.021 0.000 1.100 683 L CA 1.918 56.669 54.840 -0.148 0.000 0.765 683 L CB -1.387 40.484 42.059 -0.314 0.000 0.904 683 L HN 0.490 nan 8.230 nan 0.000 0.437 684 D N -1.581 118.813 120.400 -0.010 0.000 2.269 684 D HA -0.190 4.451 4.640 0.000 0.000 0.208 684 D C 2.114 178.396 176.300 -0.030 0.000 0.963 684 D CA 0.865 54.870 54.000 0.010 0.000 0.864 684 D CB -0.316 40.485 40.800 0.003 0.000 0.936 684 D HN 0.345 nan 8.370 nan 0.000 0.505 685 L N -0.591 120.585 121.223 -0.078 0.000 2.416 685 L HA 0.098 4.438 4.340 0.000 0.000 0.216 685 L C 2.158 178.926 176.870 -0.171 0.000 1.098 685 L CA 0.020 54.798 54.840 -0.103 0.000 0.840 685 L CB 0.054 42.029 42.059 -0.141 0.000 0.981 685 L HN 0.018 nan 8.230 nan 0.000 0.462 686 L N 0.457 121.571 121.223 -0.182 0.000 2.270 686 L HA 0.017 4.357 4.340 0.000 0.000 0.210 686 L C 1.328 178.027 176.870 -0.285 0.000 1.104 686 L CA 0.951 55.632 54.840 -0.265 0.000 0.804 686 L CB -0.325 41.610 42.059 -0.206 0.000 0.937 686 L HN -0.001 nan 8.230 nan 0.000 0.450 687 K N 1.113 121.430 120.400 -0.138 0.000 2.550 687 K HA 0.107 4.428 4.320 0.000 0.000 0.280 687 K C -0.042 176.320 176.600 -0.397 0.000 0.987 687 K CA 0.408 56.509 56.287 -0.311 0.000 1.048 687 K CB 0.402 32.783 32.500 -0.198 0.000 0.879 687 K HN 0.296 nan 8.250 nan 0.000 0.491 688 A N 4.511 127.027 122.820 -0.507 0.000 2.404 688 A HA 0.046 4.366 4.320 0.000 0.000 0.273 688 A C 0.018 177.487 177.584 -0.191 0.000 1.144 688 A CA -0.420 51.343 52.037 -0.457 0.000 0.806 688 A CB 0.090 18.645 19.000 -0.741 0.000 1.080 688 A HN 0.847 nan 8.150 nan 0.000 0.509 689 N N 3.486 122.185 118.700 -0.003 0.000 2.739 689 N HA 0.147 4.887 4.740 0.000 0.000 0.266 689 N C -0.555 174.946 175.510 -0.015 0.000 1.168 689 N CA 0.048 53.103 53.050 0.009 0.000 1.055 689 N CB 0.294 38.818 38.487 0.062 0.000 1.393 689 N HN 0.339 nan 8.380 nan 0.000 0.514 690 V N 4.801 124.690 119.914 -0.041 0.000 2.521 690 V HA 0.220 4.340 4.120 0.000 0.000 0.286 690 V C 0.666 176.741 176.094 -0.032 0.000 1.034 690 V CA -0.038 62.245 62.300 -0.028 0.000 1.045 690 V CB 0.596 32.408 31.823 -0.018 0.000 0.974 690 V HN 0.366 nan 8.190 nan 0.000 0.480 691 L N 3.915 125.118 121.223 -0.033 0.000 2.327 691 L HA 0.551 4.891 4.340 0.000 0.000 0.258 691 L C 0.183 177.034 176.870 -0.031 0.000 1.024 691 L CA -0.608 54.212 54.840 -0.035 0.000 0.825 691 L CB 1.996 44.031 42.059 -0.040 0.000 1.386 691 L HN 0.552 nan 8.230 nan 0.000 0.417 692 N N 0.535 119.219 118.700 -0.026 0.000 2.558 692 N HA 0.148 4.888 4.740 0.000 0.000 0.233 692 N C 0.329 175.837 175.510 -0.003 0.000 1.038 692 N CA -0.155 52.884 53.050 -0.018 0.000 0.934 692 N CB 1.502 39.976 38.487 -0.022 0.000 1.175 692 N HN 0.407 nan 8.380 nan 0.000 0.512 693 V N 2.490 122.409 119.914 0.008 0.000 2.379 693 V HA -0.138 3.982 4.120 0.000 0.000 0.245 693 V C 0.399 176.519 176.094 0.044 0.000 1.044 693 V CA 1.726 64.036 62.300 0.017 0.000 1.036 693 V CB -0.383 31.447 31.823 0.012 0.000 0.664 693 V HN 0.822 nan 8.190 nan 0.000 0.453 694 D N -3.777 116.667 120.400 0.073 0.000 2.677 694 D HA 0.144 4.784 4.640 0.000 0.000 0.298 694 D C 0.656 177.010 176.300 0.089 0.000 1.250 694 D CA 0.319 54.386 54.000 0.111 0.000 0.888 694 D CB 0.736 41.657 40.800 0.202 0.000 1.397 694 D HN 0.035 nan 8.370 nan 0.000 0.461 695 T N -2.881 111.707 114.554 0.057 0.000 3.072 695 T HA 0.014 4.364 4.350 0.000 0.000 0.266 695 T C 1.031 175.614 174.700 -0.194 0.000 1.127 695 T CA 0.569 62.604 62.100 -0.108 0.000 1.107 695 T CB -0.653 68.079 68.868 -0.227 0.000 0.910 695 T HN 0.311 nan 8.240 nan 0.000 0.513 696 F N 2.711 122.662 119.950 0.002 0.000 2.797 696 F HA 0.339 4.866 4.527 0.000 0.000 0.302 696 F C 1.365 177.159 175.800 -0.010 0.000 1.130 696 F CA -0.412 57.591 58.000 0.004 0.000 1.387 696 F CB 0.119 39.153 39.000 0.058 0.000 1.107 696 F HN 0.308 nan 8.300 nan 0.000 0.577 697 S N -1.850 113.926 115.700 0.127 0.000 2.720 697 S HA 0.855 5.325 4.470 0.000 0.000 0.287 697 S C -0.228 174.361 174.600 -0.019 0.000 1.168 697 S CA -0.601 57.638 58.200 0.066 0.000 0.832 697 S CB 1.327 64.646 63.200 0.197 0.000 1.166 697 S HN 0.034 nan 8.310 nan 0.000 0.493 704 Y N 0.827 121.329 120.300 0.337 0.000 2.387 704 Y HA 0.802 5.352 4.550 0.000 0.000 0.330 704 Y C 0.745 176.878 175.900 0.388 0.000 1.133 704 Y CA -0.826 57.516 58.100 0.402 0.000 1.152 704 Y CB 1.237 39.914 38.460 0.363 0.000 1.215 704 Y HN 0.588 nan 8.280 nan 0.000 0.466 705 S N 0.213 116.209 115.700 0.494 0.000 2.625 705 S HA 0.113 4.583 4.470 0.000 0.000 0.262 705 S C 0.301 175.023 174.600 0.204 0.000 1.223 705 S CA 0.108 58.472 58.200 0.273 0.000 0.993 705 S CB 0.526 63.816 63.200 0.149 0.000 1.051 705 S HN 0.869 nan 8.310 nan 0.000 0.562 706 D N -1.398 119.095 120.400 0.156 0.000 2.431 706 D HA 0.163 4.804 4.640 0.000 0.000 0.213 706 D C -0.371 175.962 176.300 0.056 0.000 1.130 706 D CA -0.183 53.889 54.000 0.121 0.000 0.834 706 D CB -0.132 40.758 40.800 0.151 0.000 0.985 706 D HN 0.485 nan 8.370 nan 0.000 0.504 707 E N 0.389 120.611 120.200 0.036 0.000 2.191 707 E HA 0.508 4.858 4.350 0.000 0.000 0.278 707 E C 0.143 176.706 176.600 -0.061 0.000 0.972 707 E CA -0.572 55.828 56.400 -0.001 0.000 0.804 707 E CB 2.137 31.852 29.700 0.024 0.000 1.110 707 E HN 0.121 nan 8.360 nan 0.000 0.394 708 A N 3.194 125.981 122.820 -0.054 0.000 2.132 708 A HA 0.033 4.353 4.320 0.000 0.000 0.213 708 A C 0.634 178.245 177.584 0.045 0.000 1.154 708 A CA 0.022 52.022 52.037 -0.062 0.000 0.753 708 A CB -0.036 18.936 19.000 -0.046 0.000 0.826 708 A HN 0.504 nan 8.150 nan 0.000 0.469 709 F N 1.361 121.277 119.950 -0.058 0.000 2.462 709 F HA 0.526 5.053 4.527 0.000 0.000 0.354 709 F C 0.233 175.980 175.800 -0.090 0.000 1.192 709 F CA -0.086 57.876 58.000 -0.064 0.000 1.173 709 F CB 0.022 39.007 39.000 -0.025 0.000 1.402 709 F HN 0.180 nan 8.300 nan 0.000 0.595 710 A N 3.961 126.614 122.820 -0.277 0.000 2.480 710 A HA 0.760 5.081 4.320 0.000 0.000 0.289 710 A C -0.433 176.896 177.584 -0.425 0.000 1.044 710 A CA 0.072 51.936 52.037 -0.288 0.000 0.761 710 A CB 0.642 19.595 19.000 -0.078 0.000 1.289 710 A HN 1.164 nan 8.150 nan 0.000 0.401 711 G N -0.021 108.317 108.800 -0.771 0.000 2.327 711 G HA2 0.688 4.648 3.960 0.000 0.000 0.291 711 G HA3 0.688 4.648 3.960 0.000 0.000 0.291 711 G C -0.334 174.129 174.900 -0.728 0.000 1.290 711 G CA 0.355 45.099 45.100 -0.593 0.000 0.857 711 G HN 1.905 nan 8.290 nan 0.000 0.520 712 G N -1.391 107.298 108.800 -0.185 0.000 2.680 712 G HA2 0.864 4.824 3.960 0.000 0.000 0.290 712 G HA3 0.864 4.824 3.960 0.000 0.000 0.290 712 G C -1.147 173.746 174.900 -0.012 0.000 1.355 712 G CA 0.006 45.126 45.100 0.033 0.000 0.903 712 G HN 1.777 nan 8.290 nan 0.000 0.474 713 L N -1.179 120.069 121.223 0.042 0.000 2.341 713 L HA 0.936 5.276 4.340 0.000 0.000 0.267 713 L C -0.315 176.584 176.870 0.049 0.000 1.009 713 L CA -0.862 53.980 54.840 0.004 0.000 0.819 713 L CB 2.478 44.524 42.059 -0.021 0.000 1.323 713 L HN 0.416 nan 8.230 nan 0.000 0.425 714 S N 1.436 117.131 115.700 -0.009 0.000 2.707 714 S HA 0.373 4.843 4.470 0.000 0.000 0.312 714 S C -0.927 173.661 174.600 -0.020 0.000 1.116 714 S CA -0.501 57.692 58.200 -0.012 0.000 1.078 714 S CB 0.655 63.812 63.200 -0.071 0.000 0.997 714 S HN 0.842 nan 8.310 nan 0.000 0.477 715 Q N 3.187 122.998 119.800 0.018 0.000 2.294 715 Q HA 0.443 4.784 4.340 0.000 0.000 0.257 715 Q C 0.938 176.944 176.000 0.010 0.000 0.955 715 Q CA 0.376 56.190 55.803 0.019 0.000 0.936 715 Q CB 0.491 29.258 28.738 0.048 0.000 1.188 715 Q HN 1.095 nan 8.270 nan 0.000 0.420 716 G N 4.603 113.402 108.800 -0.002 0.000 2.379 716 G HA2 -0.327 3.633 3.960 0.000 0.000 0.297 716 G HA3 -0.327 3.633 3.960 0.000 0.000 0.297 716 G C -0.215 174.672 174.900 -0.022 0.000 1.004 716 G CA 0.676 45.773 45.100 -0.004 0.000 0.921 716 G HN 0.775 nan 8.290 nan 0.000 0.511 720 G N -0.212 108.757 108.800 0.281 0.000 2.317 720 G HA2 0.400 4.360 3.960 0.000 0.000 0.293 720 G HA3 0.400 4.360 3.960 0.000 0.000 0.293 720 G C -2.143 173.031 174.900 0.457 0.000 1.287 720 G CA -0.542 44.742 45.100 0.306 0.000 0.850 720 G HN 0.902 nan 8.290 nan 0.000 0.515 721 N N -1.663 117.251 118.700 0.358 0.000 2.647 721 N HA 0.838 5.578 4.740 0.000 0.000 0.266 721 N C -1.704 173.989 175.510 0.305 0.000 1.373 721 N CA -0.995 52.187 53.050 0.219 0.000 0.807 721 N CB 2.210 40.746 38.487 0.082 0.000 1.513 721 N HN 0.721 nan 8.380 nan 0.000 0.505 722 F N -1.155 118.795 119.950 0.001 0.000 2.578 722 F HA 0.830 5.357 4.527 0.000 0.000 0.311 722 F C -0.138 175.636 175.800 -0.042 0.000 1.094 722 F CA -0.063 57.997 58.000 0.100 0.000 0.923 722 F CB 2.005 41.233 39.000 0.380 0.000 1.230 722 F HN 0.886 nan 8.300 nan 0.000 0.450 726 L N 2.985 124.169 121.223 -0.066 0.000 2.380 726 L HA 0.384 4.725 4.340 0.000 0.000 0.273 726 L C -0.793 176.059 176.870 -0.029 0.000 1.138 726 L CA 0.622 55.409 54.840 -0.089 0.000 0.832 726 L CB 0.180 42.181 42.059 -0.098 0.000 1.124 726 L HN 0.644 nan 8.230 nan 0.000 0.454 727 H N 3.156 122.156 119.070 -0.118 0.000 3.275 727 H HA 0.298 4.854 4.556 0.000 0.000 0.326 727 H C -0.893 174.497 175.328 0.103 0.000 1.096 727 H CA -0.560 55.470 56.048 -0.031 0.000 1.579 727 H CB 0.618 30.363 29.762 -0.028 0.000 1.834 727 H HN 0.807 nan 8.280 nan 0.000 0.510 728 E N 3.150 123.387 120.200 0.061 0.000 2.413 728 E HA -0.009 4.341 4.350 0.000 0.000 0.263 728 E C -0.122 176.471 176.600 -0.011 0.000 1.015 728 E CA -0.303 56.226 56.400 0.216 0.000 0.916 728 E CB 0.521 30.507 29.700 0.478 0.000 0.947 728 E HN 0.586 nan 8.360 nan 0.000 0.440 729 H N 3.249 122.361 119.070 0.069 0.000 2.871 729 H HA -0.064 4.492 4.556 0.000 0.000 0.355 729 H C 0.154 175.464 175.328 -0.030 0.000 1.092 729 H CA 0.309 56.343 56.048 -0.024 0.000 1.420 729 H CB 1.009 30.786 29.762 0.025 0.000 1.400 729 H HN 0.635 nan 8.280 nan 0.000 0.604 730 D N 3.429 123.706 120.400 -0.205 0.000 2.309 730 D HA -0.122 4.519 4.640 0.000 0.000 0.212 730 D C 1.898 178.229 176.300 0.051 0.000 0.968 730 D CA 0.725 54.700 54.000 -0.042 0.000 0.882 730 D CB 0.074 40.819 40.800 -0.092 0.000 0.918 730 D HN 0.557 nan 8.370 nan 0.000 0.503 731 K N -0.824 119.676 120.400 0.166 0.000 2.103 731 K HA -0.167 4.153 4.320 0.000 0.000 0.207 731 K C 0.594 176.883 176.600 -0.519 0.000 1.048 731 K CA 1.132 57.264 56.287 -0.259 0.000 0.930 731 K CB 0.211 32.379 32.500 -0.554 0.000 0.716 731 K HN 0.132 nan 8.250 nan 0.000 0.444 732 Y N -0.583 119.778 120.300 0.102 0.000 2.698 732 Y HA 0.205 4.756 4.550 0.000 0.000 0.185 732 Y C 0.172 176.132 175.900 0.100 0.000 1.078 732 Y CA -0.642 57.502 58.100 0.072 0.000 1.571 732 Y CB -0.181 38.307 38.460 0.047 0.000 1.086 732 Y HN -0.206 nan 8.280 nan 0.000 0.487 733 N N 0.647 119.543 118.700 0.327 0.000 2.807 733 N HA 0.241 4.981 4.740 0.000 0.000 0.259 733 N C 0.747 176.400 175.510 0.239 0.000 1.149 733 N CA 0.099 53.296 53.050 0.245 0.000 1.042 733 N CB 0.566 39.188 38.487 0.225 0.000 1.367 733 N HN 0.685 nan 8.380 nan 0.000 0.516 734 G N -0.124 108.775 108.800 0.165 0.000 2.534 734 G HA2 -0.217 3.743 3.960 0.000 0.000 0.217 734 G HA3 -0.217 3.743 3.960 0.000 0.000 0.217 734 G C 1.499 176.505 174.900 0.178 0.000 1.128 734 G CA 0.764 45.921 45.100 0.095 0.000 0.784 734 G HN 0.531 nan 8.290 nan 0.000 0.542 735 T N -2.973 111.702 114.554 0.202 0.000 3.088 735 T HA 0.024 4.375 4.350 0.000 0.000 0.259 735 T C 1.007 175.847 174.700 0.233 0.000 1.122 735 T CA -0.106 62.116 62.100 0.203 0.000 1.095 735 T CB -0.329 68.626 68.868 0.145 0.000 0.930 735 T HN 0.364 nan 8.240 nan 0.000 0.508 736 H N 3.154 122.327 119.070 0.171 0.000 3.015 736 H HA 0.277 4.833 4.556 0.000 0.000 0.268 736 H C 0.163 175.605 175.328 0.190 0.000 1.113 736 H CA -0.339 55.804 56.048 0.158 0.000 1.479 736 H CB 0.252 30.120 29.762 0.176 0.000 1.493 736 H HN 0.508 nan 8.280 nan 0.000 0.486 737 R N 3.429 123.790 120.500 -0.233 0.000 2.808 737 R HA 0.807 5.148 4.340 0.000 0.000 0.272 737 R C -1.985 174.118 176.300 -0.329 0.000 0.995 737 R CA -1.197 54.766 56.100 -0.228 0.000 0.917 737 R CB 1.918 32.165 30.300 -0.088 0.000 1.217 737 R HN 0.440 nan 8.270 nan 0.000 0.471 738 A N 1.799 124.461 122.820 -0.264 0.000 2.589 738 A HA 0.613 4.933 4.320 0.000 0.000 0.296 738 A C -1.434 176.016 177.584 -0.225 0.000 1.062 738 A CA -0.982 50.926 52.037 -0.216 0.000 0.686 738 A CB 1.910 20.820 19.000 -0.150 0.000 1.282 738 A HN 0.694 nan 8.150 nan 0.000 0.404 739 R N 1.024 121.346 120.500 -0.296 0.000 2.246 739 R HA 0.545 4.886 4.340 0.000 0.000 0.332 739 R C -0.816 175.320 176.300 -0.273 0.000 0.974 739 R CA 0.030 55.819 56.100 -0.519 0.000 0.837 739 R CB 1.337 31.005 30.300 -1.054 0.000 1.145 739 R HN 0.645 nan 8.270 nan 0.000 0.467 740 K N 0.983 121.324 120.400 -0.098 0.000 2.316 740 K HA 0.588 4.908 4.320 0.000 0.000 0.251 740 K C -0.866 175.721 176.600 -0.021 0.000 0.934 740 K CA -0.821 55.463 56.287 -0.005 0.000 0.802 740 K CB 2.274 34.820 32.500 0.077 0.000 1.171 740 K HN 0.635 nan 8.250 nan 0.000 0.426 741 S N 1.287 116.897 115.700 -0.150 0.000 2.546 741 S HA 0.671 5.141 4.470 0.000 0.000 0.274 741 S C -1.115 173.126 174.600 -0.598 0.000 1.121 741 S CA -0.914 57.138 58.200 -0.246 0.000 0.887 741 S CB 0.666 63.828 63.200 -0.063 0.000 1.094 741 S HN 0.399 nan 8.310 nan 0.000 0.474 742 F N 1.289 121.061 119.950 -0.297 0.000 2.532 742 F HA 0.529 5.056 4.527 0.000 0.000 0.321 742 F C 0.443 175.634 175.800 -1.014 0.000 1.089 742 F CA -0.717 56.950 58.000 -0.555 0.000 0.926 742 F CB 1.963 40.646 39.000 -0.529 0.000 1.168 742 F HN 0.597 nan 8.300 nan 0.000 0.459 743 H N 3.697 122.560 119.070 -0.344 0.000 2.860 743 H HA 0.262 4.818 4.556 0.000 0.000 0.312 743 H C -1.411 173.744 175.328 -0.289 0.000 0.995 743 H CA -0.695 55.181 56.048 -0.286 0.000 1.311 743 H CB 1.098 30.779 29.762 -0.136 0.000 1.478 743 H HN 0.468 nan 8.280 nan 0.000 0.508 744 F N 4.639 124.714 119.950 0.209 0.000 2.334 744 F HA 0.271 4.798 4.527 0.000 0.000 0.365 744 F C 0.833 176.730 175.800 0.162 0.000 1.124 744 F CA -0.952 57.154 58.000 0.176 0.000 1.166 744 F CB 0.229 39.325 39.000 0.161 0.000 1.355 744 F HN 0.379 nan 8.300 nan 0.000 0.532 745 I N -0.572 120.167 120.570 0.282 0.000 2.389 745 I HA 0.601 4.771 4.170 0.000 0.000 0.288 745 I C 0.086 176.337 176.117 0.223 0.000 0.999 745 I CA -0.636 60.798 61.300 0.222 0.000 1.129 745 I CB 1.278 39.380 38.000 0.169 0.000 1.288 745 I HN 0.486 nan 8.210 nan 0.000 0.444 746 D N 4.128 124.647 120.400 0.199 0.000 3.945 746 D HA -0.240 4.400 4.640 0.000 0.000 0.166 746 D C 0.763 177.226 176.300 0.272 0.000 0.775 746 D CA 2.998 57.111 54.000 0.188 0.000 0.954 746 D CB -0.932 39.960 40.800 0.153 0.000 0.433 746 D HN 0.993 nan 8.370 nan 0.000 0.385 750 V N 5.886 125.768 119.914 -0.053 0.000 2.407 750 V HA 0.550 4.670 4.120 0.000 0.000 0.278 750 V C -0.375 175.703 176.094 -0.027 0.000 1.037 750 V CA -0.070 62.150 62.300 -0.135 0.000 0.900 750 V CB 1.051 32.600 31.823 -0.455 0.000 0.983 750 V HN 0.918 nan 8.190 nan 0.000 0.459 751 C N 7.876 127.089 119.300 -0.146 0.000 2.281 751 C HA 0.697 5.157 4.460 0.000 0.000 0.325 751 C C -0.257 174.731 174.990 -0.004 0.000 1.282 751 C CA -0.966 57.986 59.018 -0.110 0.000 1.640 751 C CB 0.007 27.499 27.740 -0.412 0.000 2.288 751 C HN 0.701 nan 8.230 nan 0.000 0.507 752 L N 3.021 124.240 121.223 -0.007 0.000 2.362 752 L HA 0.903 5.243 4.340 0.000 0.000 0.271 752 L C 0.450 177.068 176.870 -0.421 0.000 1.002 752 L CA 0.313 55.066 54.840 -0.145 0.000 0.818 752 L CB 1.787 43.864 42.059 0.029 0.000 1.298 752 L HN 0.912 nan 8.230 nan 0.000 0.420 753 G N 0.538 108.761 108.800 -0.961 0.000 2.719 753 G HA2 0.701 4.661 3.960 0.000 0.000 0.298 753 G HA3 0.701 4.661 3.960 0.000 0.000 0.298 753 G C -1.541 173.109 174.900 -0.417 0.000 1.411 753 G CA -0.161 44.407 45.100 -0.888 0.000 0.991 753 G HN 0.704 nan 8.290 nan 0.000 0.509 754 S N 0.145 115.767 115.700 -0.130 0.000 2.625 754 S HA 0.624 5.094 4.470 0.000 0.000 0.271 754 S C -0.524 174.007 174.600 -0.116 0.000 1.161 754 S CA -0.209 57.932 58.200 -0.099 0.000 0.820 754 S CB 2.039 65.209 63.200 -0.050 0.000 1.137 754 S HN 0.859 nan 8.310 nan 0.000 0.470 755 D N 0.103 120.438 120.400 -0.110 0.000 2.772 755 D HA -0.134 4.506 4.640 0.000 0.000 0.233 755 D C -0.539 175.676 176.300 -0.142 0.000 1.143 755 D CA 0.868 54.791 54.000 -0.129 0.000 0.700 755 D CB -1.426 39.270 40.800 -0.173 0.000 1.076 755 D HN 0.659 nan 8.370 nan 0.000 0.430 756 I N 1.293 121.782 120.570 -0.134 0.000 2.452 756 I HA 0.072 4.242 4.170 0.000 0.000 0.287 756 I C 0.805 176.852 176.117 -0.117 0.000 1.079 756 I CA 0.635 61.836 61.300 -0.166 0.000 1.387 756 I CB 0.517 38.350 38.000 -0.280 0.000 1.404 756 I HN 0.033 nan 8.210 nan 0.000 0.522 757 E N 6.713 126.859 120.200 -0.090 0.000 2.363 757 E HA 0.546 4.896 4.350 0.000 0.000 0.281 757 E C -1.667 174.972 176.600 0.065 0.000 0.953 757 E CA -1.094 55.298 56.400 -0.014 0.000 0.778 757 E CB 1.789 31.470 29.700 -0.032 0.000 1.220 757 E HN 0.670 nan 8.360 nan 0.000 0.431 758 N N 0.176 118.945 118.700 0.115 0.000 3.106 758 N HA 0.230 4.971 4.740 0.000 0.000 0.253 758 N C -0.481 175.094 175.510 0.109 0.000 1.506 758 N CA -0.607 52.536 53.050 0.154 0.000 0.876 758 N CB 1.720 40.360 38.487 0.255 0.000 1.452 758 N HN 0.540 nan 8.380 nan 0.000 0.542 759 T N -3.322 111.297 114.554 0.109 0.000 3.129 759 T HA 0.184 4.534 4.350 0.000 0.000 0.267 759 T C 0.250 174.998 174.700 0.081 0.000 1.018 759 T CA -0.257 61.891 62.100 0.080 0.000 0.903 759 T CB -0.752 68.157 68.868 0.069 0.000 1.067 759 T HN 0.536 nan 8.240 nan 0.000 0.549 763 Y N 1.389 121.712 120.300 0.038 0.000 2.457 763 Y HA 0.463 5.013 4.550 0.000 0.000 0.343 763 Y C -2.281 173.645 175.900 0.043 0.000 0.994 763 Y CA -1.973 56.153 58.100 0.045 0.000 1.031 763 Y CB 2.420 40.916 38.460 0.059 0.000 1.246 763 Y HN -0.283 nan 8.280 nan 0.000 0.449 764 P HA 0.136 nan 4.420 nan 0.000 0.274 764 P C -0.643 176.728 177.300 0.117 0.000 1.231 764 P CA -0.268 62.898 63.100 0.110 0.000 0.790 764 P CB 1.172 32.903 31.700 0.051 0.000 0.951 765 T N 2.145 116.772 114.554 0.123 0.000 2.837 765 T HA 0.369 4.719 4.350 0.000 0.000 0.285 765 T C -0.203 174.625 174.700 0.214 0.000 0.984 765 T CA -0.363 61.823 62.100 0.144 0.000 1.049 765 T CB 0.633 69.606 68.868 0.175 0.000 0.947 765 T HN 0.366 nan 8.240 nan 0.000 0.472 766 E N 1.227 121.524 120.200 0.162 0.000 2.292 766 E HA 0.467 4.817 4.350 0.000 0.000 0.272 766 E C -0.603 176.050 176.600 0.088 0.000 0.881 766 E CA -0.960 55.489 56.400 0.082 0.000 0.754 766 E CB 1.942 31.616 29.700 -0.042 0.000 1.201 766 E HN 0.623 nan 8.360 nan 0.000 0.425 767 T N -0.433 114.138 114.554 0.028 0.000 2.824 767 T HA 0.432 4.782 4.350 0.000 0.000 0.280 767 T C -0.067 174.510 174.700 -0.206 0.000 0.995 767 T CA -0.685 61.369 62.100 -0.077 0.000 1.009 767 T CB 1.350 70.078 68.868 -0.233 0.000 0.955 767 T HN 0.444 nan 8.240 nan 0.000 0.452 768 T N 2.692 117.148 114.554 -0.165 0.000 2.756 768 T HA 0.449 4.800 4.350 0.000 0.000 0.290 768 T C 1.349 175.897 174.700 -0.254 0.000 0.985 768 T CA -0.907 61.057 62.100 -0.227 0.000 0.955 768 T CB 0.244 69.028 68.868 -0.139 0.000 0.930 768 T HN 0.611 nan 8.240 nan 0.000 0.451 769 I N 2.530 122.794 120.570 -0.510 0.000 2.163 769 I HA 0.126 4.296 4.170 0.000 0.000 0.240 769 I C 0.530 176.517 176.117 -0.218 0.000 1.081 769 I CA 1.025 61.943 61.300 -0.636 0.000 1.353 769 I CB -0.065 37.366 38.000 -0.949 0.000 1.054 769 I HN 0.777 nan 8.210 nan 0.000 0.407 770 F N -0.829 118.913 119.950 -0.347 0.000 2.641 770 F HA 0.620 5.147 4.527 0.000 0.000 0.308 770 F C -0.846 174.900 175.800 -0.090 0.000 1.105 770 F CA -1.082 56.815 58.000 -0.172 0.000 0.964 770 F CB 1.090 39.919 39.000 -0.285 0.000 1.294 770 F HN -0.211 nan 8.300 nan 0.000 0.442 771 Q N 3.693 123.693 119.800 0.333 0.000 2.290 771 Q HA 0.700 5.040 4.340 0.000 0.000 0.269 771 Q C -2.188 174.184 176.000 0.619 0.000 1.016 771 Q CA -0.639 55.382 55.803 0.364 0.000 0.754 771 Q CB 2.113 30.970 28.738 0.197 0.000 1.247 771 Q HN 0.952 nan 8.270 nan 0.000 0.451 772 L N 2.009 123.597 121.223 0.608 0.000 2.401 772 L HA 0.769 5.109 4.340 0.000 0.000 0.266 772 L C -0.421 176.489 176.870 0.067 0.000 0.991 772 L CA -1.001 54.092 54.840 0.421 0.000 0.818 772 L CB 2.048 44.340 42.059 0.388 0.000 1.321 772 L HN 0.660 nan 8.230 nan 0.000 0.413 773 A N 2.414 124.952 122.820 -0.471 0.000 2.388 773 A HA 0.603 4.923 4.320 0.000 0.000 0.257 773 A C -0.335 176.994 177.584 -0.425 0.000 1.095 773 A CA -0.279 51.126 52.037 -1.053 0.000 0.791 773 A CB 0.645 18.912 19.000 -1.221 0.000 1.029 773 A HN 0.417 nan 8.150 nan 0.000 0.489 774 V N 3.434 123.024 119.914 -0.541 0.000 2.313 774 V HA 0.343 4.464 4.120 0.000 0.000 0.278 774 V C 1.072 176.915 176.094 -0.417 0.000 1.017 774 V CA 0.421 62.422 62.300 -0.498 0.000 0.823 774 V CB 0.478 31.885 31.823 -0.693 0.000 1.010 774 V HN 1.209 nan 8.190 nan 0.000 0.443 775 T N 0.364 114.787 114.554 -0.218 0.000 3.205 775 T HA 0.116 4.466 4.350 0.000 0.000 0.238 775 T C 0.554 175.255 174.700 0.002 0.000 0.974 775 T CA 0.178 62.213 62.100 -0.109 0.000 1.246 775 T CB 0.018 68.819 68.868 -0.113 0.000 1.007 775 T HN 0.608 nan 8.240 nan 0.000 0.414 776 D N 1.050 121.455 120.400 0.009 0.000 2.377 776 D HA 0.166 4.806 4.640 0.000 0.000 0.245 776 D C 0.895 177.249 176.300 0.091 0.000 1.196 776 D CA -0.577 53.439 54.000 0.027 0.000 0.962 776 D CB 1.749 42.557 40.800 0.012 0.000 1.127 776 D HN 0.234 nan 8.370 nan 0.000 0.471 777 K N -0.168 120.251 120.400 0.031 0.000 2.097 777 K HA -0.119 4.201 4.320 0.000 0.000 0.206 777 K C 2.049 178.697 176.600 0.081 0.000 1.049 777 K CA 1.186 57.489 56.287 0.026 0.000 0.933 777 K CB -0.310 32.174 32.500 -0.026 0.000 0.717 777 K HN 0.529 nan 8.250 nan 0.000 0.442 778 A N 0.919 123.773 122.820 0.057 0.000 1.972 778 A HA -0.133 4.187 4.320 0.000 0.000 0.219 778 A C 2.237 179.866 177.584 0.074 0.000 1.169 778 A CA 1.852 53.924 52.037 0.059 0.000 0.635 778 A CB -0.611 18.409 19.000 0.034 0.000 0.810 778 A HN 0.430 nan 8.150 nan 0.000 0.446 779 A N -1.026 121.823 122.820 0.048 0.000 1.930 779 A HA -0.101 4.220 4.320 0.000 0.000 0.217 779 A C 1.927 179.527 177.584 0.027 0.000 1.175 779 A CA 1.784 53.786 52.037 -0.059 0.000 0.627 779 A CB -0.781 18.090 19.000 -0.215 0.000 0.815 779 A HN 0.649 nan 8.150 nan 0.000 0.443 780 H N -0.029 119.049 119.070 0.013 0.000 2.353 780 H HA -0.079 4.478 4.556 0.000 0.000 0.300 780 H C 1.499 176.926 175.328 0.165 0.000 1.090 780 H CA 1.854 57.943 56.048 0.067 0.000 1.327 780 H CB -0.052 29.680 29.762 -0.051 0.000 1.383 780 H HN 0.425 nan 8.280 nan 0.000 0.508 781 D N -0.716 119.819 120.400 0.226 0.000 2.219 781 D HA -0.163 4.477 4.640 0.000 0.000 0.205 781 D C 1.733 178.107 176.300 0.124 0.000 0.970 781 D CA 0.704 54.797 54.000 0.155 0.000 0.851 781 D CB -0.398 40.462 40.800 0.100 0.000 0.943 781 D HN 0.433 nan 8.370 nan 0.000 0.488 782 Y N -0.897 119.380 120.300 -0.038 0.000 2.293 782 Y HA -0.145 4.405 4.550 0.000 0.000 0.291 782 Y C 1.280 177.037 175.900 -0.239 0.000 1.137 782 Y CA 1.268 59.243 58.100 -0.207 0.000 1.202 782 Y CB -0.164 38.079 38.460 -0.362 0.000 0.990 782 Y HN -0.013 nan 8.280 nan 0.000 0.537 783 W N -0.020 121.399 121.300 0.198 0.000 3.290 783 W HA 0.144 4.805 4.660 0.000 0.000 0.287 783 W C 2.080 178.675 176.519 0.127 0.000 1.288 783 W CA -0.133 57.323 57.345 0.184 0.000 1.725 783 W CB 0.114 29.784 29.460 0.349 0.000 1.103 783 W HN -0.144 nan 8.180 nan 0.000 0.670 784 K N 2.183 122.739 120.400 0.259 0.000 2.089 784 K HA -0.259 4.062 4.320 0.000 0.000 0.210 784 K C 1.100 177.781 176.600 0.134 0.000 1.048 784 K CA 2.207 58.608 56.287 0.190 0.000 0.926 784 K CB -0.166 32.402 32.500 0.114 0.000 0.714 784 K HN 0.247 nan 8.250 nan 0.000 0.448 785 N N -1.868 116.873 118.700 0.068 0.000 2.162 785 N HA -0.032 4.708 4.740 0.000 0.000 0.232 785 N C -1.150 174.340 175.510 -0.034 0.000 1.361 785 N CA -0.338 52.729 53.050 0.028 0.000 0.786 785 N CB -0.886 37.601 38.487 0.000 0.000 1.290 785 N HN 0.027 nan 8.380 nan 0.000 0.505 786 N N 1.330 119.999 118.700 -0.051 0.000 2.416 786 N HA 0.150 4.890 4.740 0.000 0.000 0.271 786 N C 0.976 176.410 175.510 -0.127 0.000 1.245 786 N CA 0.494 53.444 53.050 -0.166 0.000 0.940 786 N CB 1.217 39.463 38.487 -0.401 0.000 1.175 786 N HN 0.376 nan 8.380 nan 0.000 0.483 787 A N 3.911 126.592 122.820 -0.233 0.000 1.877 787 A HA -0.072 4.248 4.320 0.000 0.000 0.216 787 A C 1.871 179.030 177.584 -0.708 0.000 1.186 787 A CA 1.884 53.729 52.037 -0.320 0.000 0.620 787 A CB -0.725 18.119 19.000 -0.260 0.000 0.822 787 A HN 0.691 nan 8.150 nan 0.000 0.443 788 G N -1.642 106.460 108.800 -1.163 0.000 2.437 788 G HA2 0.222 4.182 3.960 0.000 0.000 0.212 788 G HA3 0.222 4.182 3.960 0.000 0.000 0.212 788 G C 1.121 175.710 174.900 -0.518 0.000 1.174 788 G CA 0.724 45.439 45.100 -0.641 0.000 0.811 788 G HN 0.522 nan 8.290 nan 0.000 0.537 789 E N -1.534 118.266 120.200 -0.667 0.000 4.087 789 E HA 0.512 4.862 4.350 0.000 0.000 0.195 789 E C 0.238 176.639 176.600 -0.331 0.000 0.963 789 E CA -0.101 56.075 56.400 -0.374 0.000 1.167 789 E CB 1.290 30.856 29.700 -0.223 0.000 1.838 789 E HN 0.444 nan 8.360 nan 0.000 0.390 790 G N 0.545 109.241 108.800 -0.174 0.000 2.479 790 G HA2 -0.146 3.814 3.960 0.000 0.000 0.686 790 G HA3 -0.146 3.814 3.960 0.000 0.000 0.686 790 G C -0.505 174.384 174.900 -0.018 0.000 1.295 790 G CA -0.206 44.838 45.100 -0.093 0.000 0.922 790 G HN 0.250 nan 8.290 nan 0.000 0.582 791 K N -1.008 119.435 120.400 0.073 0.000 2.458 791 K HA 0.363 4.683 4.320 0.000 0.000 0.194 791 K C 0.607 177.363 176.600 0.260 0.000 1.024 791 K CA 0.734 57.110 56.287 0.149 0.000 1.108 791 K CB 0.765 33.373 32.500 0.180 0.000 0.846 791 K HN 0.772 nan 8.250 nan 0.000 0.518 792 V N 0.388 120.409 119.914 0.179 0.000 2.525 792 V HA 0.433 4.553 4.120 0.000 0.000 0.299 792 V C -1.735 174.422 176.094 0.104 0.000 1.034 792 V CA -0.787 61.665 62.300 0.253 0.000 0.863 792 V CB 0.724 32.682 31.823 0.224 0.000 0.999 792 V HN 0.178 nan 8.190 nan 0.000 0.423 796 H N -0.429 118.242 119.070 -0.665 0.000 2.555 796 H HA 0.205 4.761 4.556 0.000 0.000 0.269 796 H C 0.872 175.905 175.328 -0.492 0.000 0.988 796 H CA 0.385 55.804 56.048 -1.049 0.000 1.178 796 H CB -0.026 29.338 29.762 -0.664 0.000 1.373 796 H HN 0.312 nan 8.280 nan 0.000 0.588 797 L N 0.144 120.994 121.223 -0.622 0.000 2.667 797 L HA 0.316 4.657 4.340 0.000 0.000 0.232 797 L C 1.423 178.129 176.870 -0.273 0.000 1.138 797 L CA 0.322 54.919 54.840 -0.404 0.000 0.921 797 L CB 0.398 42.225 42.059 -0.387 0.000 1.180 797 L HN 0.478 nan 8.230 nan 0.000 0.487 798 G N 0.473 109.107 108.800 -0.277 0.000 2.159 798 G HA2 -0.298 3.662 3.960 0.000 0.000 0.256 798 G HA3 -0.298 3.662 3.960 0.000 0.000 0.256 798 G C 0.408 175.182 174.900 -0.210 0.000 0.977 798 G CA 0.505 45.487 45.100 -0.198 0.000 0.652 798 G HN 0.364 nan 8.290 nan 0.000 0.531 799 T N -0.048 114.348 114.554 -0.263 0.000 2.799 799 T HA 0.661 5.011 4.350 0.000 0.000 0.286 799 T C 0.778 175.205 174.700 -0.455 0.000 0.973 799 T CA 0.772 62.637 62.100 -0.392 0.000 1.035 799 T CB 1.244 69.829 68.868 -0.471 0.000 0.932 799 T HN 1.292 nan 8.240 nan 0.000 0.469 800 G N 2.851 111.374 108.800 -0.462 0.000 2.412 800 G HA2 0.605 4.565 3.960 0.000 0.000 0.318 800 G HA3 0.605 4.565 3.960 0.000 0.000 0.318 800 G C -1.682 172.949 174.900 -0.449 0.000 1.146 800 G CA -0.618 44.309 45.100 -0.289 0.000 0.882 800 G HN 0.736 nan 8.290 nan 0.000 0.501 801 Y N -0.118 120.319 120.300 0.229 0.000 2.327 801 Y HA 0.265 4.815 4.550 0.000 0.000 0.325 801 Y C -0.772 175.386 175.900 0.430 0.000 0.999 801 Y CA -0.970 57.331 58.100 0.336 0.000 1.195 801 Y CB 1.924 40.625 38.460 0.401 0.000 1.132 801 Y HN 0.636 nan 8.280 nan 0.000 0.455 802 Y N 3.880 124.422 120.300 0.404 0.000 2.425 802 Y HA 0.599 5.149 4.550 0.000 0.000 0.347 802 Y C -1.022 175.183 175.900 0.508 0.000 0.976 802 Y CA -0.693 57.673 58.100 0.444 0.000 1.190 802 Y CB 0.620 39.377 38.460 0.495 0.000 1.136 802 Y HN 0.384 nan 8.280 nan 0.000 0.517 803 V N 10.114 130.051 119.914 0.037 0.000 2.289 803 V HA 0.219 4.339 4.120 0.000 0.000 0.272 803 V C -1.812 174.203 176.094 -0.131 0.000 1.026 803 V CA -1.224 61.094 62.300 0.030 0.000 0.807 803 V CB 1.097 33.046 31.823 0.210 0.000 1.044 803 V HN 0.748 nan 8.190 nan 0.000 0.443 804 P HA -0.011 nan 4.420 nan 0.000 0.224 804 P C 0.642 177.942 177.300 0.000 0.000 1.157 804 P CA 0.810 63.817 63.100 -0.155 0.000 0.799 804 P CB 0.303 31.919 31.700 -0.139 0.000 0.809 805 V N -2.326 117.611 119.914 0.039 0.000 2.953 805 V HA 0.663 4.783 4.120 0.000 0.000 0.304 805 V C 0.430 176.552 176.094 0.047 0.000 1.073 805 V CA -1.427 60.910 62.300 0.062 0.000 1.064 805 V CB -0.034 31.850 31.823 0.102 0.000 1.047 805 V HN 0.120 nan 8.190 nan 0.000 0.478 806 A N 2.273 125.114 122.820 0.035 0.000 2.524 806 A HA 0.670 4.990 4.320 0.000 0.000 0.250 806 A C 0.426 177.998 177.584 -0.020 0.000 1.078 806 A CA 0.417 52.467 52.037 0.022 0.000 0.761 806 A CB -0.629 18.379 19.000 0.013 0.000 1.012 806 A HN 2.248 nan 8.150 nan 0.000 0.500 807 A N 3.081 125.893 122.820 -0.013 0.000 2.515 807 A HA 0.754 5.075 4.320 0.000 0.000 0.298 807 A C -0.151 177.390 177.584 -0.071 0.000 1.059 807 A CA -0.705 51.273 52.037 -0.099 0.000 0.698 807 A CB 1.191 20.090 19.000 -0.170 0.000 1.289 807 A HN 0.882 nan 8.150 nan 0.000 0.404 808 R N 1.266 121.675 120.500 -0.152 0.000 2.460 808 R HA 0.565 4.906 4.340 0.000 0.000 0.303 808 R C -1.876 174.322 176.300 -0.171 0.000 0.968 808 R CA -0.434 55.600 56.100 -0.110 0.000 0.889 808 R CB 1.077 31.296 30.300 -0.134 0.000 1.123 808 R HN 0.684 nan 8.270 nan 0.000 0.455 809 F N 2.781 122.597 119.950 -0.224 0.000 2.436 809 F HA 0.368 4.895 4.527 0.000 0.000 0.340 809 F C -0.763 174.898 175.800 -0.231 0.000 1.113 809 F CA -0.465 57.357 58.000 -0.296 0.000 1.022 809 F CB 1.484 40.420 39.000 -0.106 0.000 1.128 809 F HN 0.489 nan 8.300 nan 0.000 0.466 810 E N 5.048 124.583 120.200 -1.107 0.000 2.210 810 E HA 0.226 4.576 4.350 0.000 0.000 0.266 810 E C -1.196 174.682 176.600 -1.203 0.000 0.883 810 E CA -0.973 54.894 56.400 -0.889 0.000 0.761 810 E CB 1.845 31.212 29.700 -0.555 0.000 1.156 810 E HN 0.440 nan 8.360 nan 0.000 0.412 811 K N 3.650 123.536 120.400 -0.857 0.000 2.423 811 K HA 0.266 4.586 4.320 0.000 0.000 0.234 811 K C -1.109 175.053 176.600 -0.730 0.000 1.051 811 K CA -0.313 55.461 56.287 -0.854 0.000 1.021 811 K CB 0.094 32.215 32.500 -0.631 0.000 1.474 811 K HN 0.473 nan 8.250 nan 0.000 0.474 812 N N 3.777 122.164 118.700 -0.522 0.000 2.645 812 N HA 0.176 4.916 4.740 0.000 0.000 0.233 812 N C -1.548 173.995 175.510 0.054 0.000 1.058 812 N CA -0.412 52.501 53.050 -0.229 0.000 0.942 812 N CB 0.371 38.783 38.487 -0.125 0.000 1.210 812 N HN 0.206 nan 8.380 nan 0.000 0.512 813 F N 2.765 122.684 119.950 -0.052 0.000 2.311 813 F HA 0.429 4.956 4.527 0.000 0.000 0.371 813 F C -1.540 174.248 175.800 -0.020 0.000 1.083 813 F CA -2.959 55.024 58.000 -0.027 0.000 1.113 813 F CB -0.012 38.996 39.000 0.014 0.000 1.349 813 F HN 0.269 nan 8.300 nan 0.000 0.470 814 P HA 0.431 nan 4.420 nan 0.000 0.301 814 P C -1.483 175.777 177.300 -0.067 0.000 1.309 814 P CA -0.689 62.414 63.100 0.005 0.000 0.782 814 P CB 1.540 33.107 31.700 -0.222 0.000 1.282 815 Q N -0.815 118.917 119.800 -0.113 0.000 2.356 815 Q HA 0.423 4.763 4.340 0.000 0.000 0.270 815 Q C -1.606 174.221 176.000 -0.288 0.000 1.058 815 Q CA -0.635 55.092 55.803 -0.127 0.000 0.802 815 Q CB 1.302 30.016 28.738 -0.040 0.000 1.303 815 Q HN 0.361 nan 8.270 nan 0.000 0.444 816 Y N 0.895 121.163 120.300 -0.053 0.000 2.387 816 Y HA 0.614 5.164 4.550 0.000 0.000 0.336 816 Y C 0.386 176.215 175.900 -0.119 0.000 1.067 816 Y CA -0.073 57.994 58.100 -0.056 0.000 1.114 816 Y CB 2.352 40.792 38.460 -0.033 0.000 1.208 816 Y HN 0.649 nan 8.280 nan 0.000 0.458 817 S N 1.757 117.494 115.700 0.062 0.000 2.843 817 S HA 0.714 5.184 4.470 0.000 0.000 0.301 817 S C -1.212 173.417 174.600 0.049 0.000 1.206 817 S CA -0.862 57.325 58.200 -0.023 0.000 0.875 817 S CB 1.277 64.392 63.200 -0.141 0.000 1.248 817 S HN 0.685 nan 8.310 nan 0.000 0.555 821 D N 0.169 120.616 120.400 0.079 0.000 2.725 821 D HA 0.094 4.734 4.640 0.000 0.000 0.269 821 D C 1.730 178.004 176.300 -0.043 0.000 1.018 821 D CA 1.568 55.560 54.000 -0.013 0.000 0.956 821 D CB -0.718 40.105 40.800 0.040 0.000 1.141 821 D HN 0.156 nan 8.370 nan 0.000 0.478 822 T N -1.589 112.984 114.554 0.031 0.000 3.054 822 T HA 0.281 4.631 4.350 0.000 0.000 0.259 822 T C 1.565 176.297 174.700 0.054 0.000 1.092 822 T CA 1.636 63.752 62.100 0.027 0.000 1.121 822 T CB -0.621 68.276 68.868 0.048 0.000 0.912 822 T HN 0.521 nan 8.240 nan 0.000 0.489 823 G N 1.452 110.323 108.800 0.119 0.000 2.184 823 G HA2 -0.244 3.716 3.960 0.000 0.000 0.264 823 G HA3 -0.244 3.716 3.960 0.000 0.000 0.264 823 G C 0.112 175.104 174.900 0.153 0.000 0.975 823 G CA 0.433 45.648 45.100 0.191 0.000 0.642 823 G HN 0.586 nan 8.290 nan 0.000 0.536 824 K N 0.758 121.232 120.400 0.123 0.000 2.355 824 K HA 0.317 4.637 4.320 0.000 0.000 0.270 824 K C 0.714 177.382 176.600 0.113 0.000 1.003 824 K CA -0.175 56.172 56.287 0.100 0.000 0.957 824 K CB 0.567 33.118 32.500 0.085 0.000 0.939 824 K HN 0.412 nan 8.250 nan 0.000 0.482 825 E N 1.764 122.021 120.200 0.095 0.000 2.417 825 E HA -0.027 4.323 4.350 0.000 0.000 0.261 825 E C -0.780 175.898 176.600 0.131 0.000 1.000 825 E CA 0.034 56.500 56.400 0.109 0.000 0.919 825 E CB 0.531 30.287 29.700 0.093 0.000 0.955 825 E HN 0.570 nan 8.360 nan 0.000 0.455 826 T N 1.790 116.431 114.554 0.144 0.000 2.906 826 T HA 0.599 4.949 4.350 0.000 0.000 0.295 826 T C -0.789 173.969 174.700 0.097 0.000 1.061 826 T CA -1.133 61.040 62.100 0.120 0.000 1.000 826 T CB 1.637 70.573 68.868 0.113 0.000 1.103 826 T HN 0.507 nan 8.240 nan 0.000 0.486 827 K N 0.339 120.759 120.400 0.033 0.000 2.482 827 K HA 0.880 5.201 4.320 0.000 0.000 0.257 827 K C -0.644 175.950 176.600 -0.010 0.000 0.969 827 K CA -1.279 54.947 56.287 -0.101 0.000 0.842 827 K CB 2.158 34.467 32.500 -0.320 0.000 1.359 827 K HN 1.108 nan 8.250 nan 0.000 0.441 828 G N 0.716 109.538 108.800 0.036 0.000 2.547 828 G HA2 0.265 4.226 3.960 0.000 0.000 0.291 828 G HA3 0.265 4.226 3.960 0.000 0.000 0.291 828 G C -1.972 173.001 174.900 0.122 0.000 1.471 828 G CA -0.766 44.384 45.100 0.085 0.000 0.798 828 G HN 0.495 nan 8.290 nan 0.000 0.504 829 D N 0.315 120.636 120.400 -0.132 0.000 2.325 829 D HA 0.448 5.088 4.640 0.000 0.000 0.251 829 D C -0.840 175.329 176.300 -0.219 0.000 1.196 829 D CA 0.601 54.518 54.000 -0.139 0.000 0.866 829 D CB 0.744 41.181 40.800 -0.606 0.000 1.101 829 D HN 0.284 nan 8.370 nan 0.000 0.476 830 W N 1.511 122.882 121.300 0.118 0.000 2.844 830 W HA 0.540 5.201 4.660 0.000 0.000 0.340 830 W C -0.700 175.791 176.519 -0.045 0.000 1.093 830 W CA -0.883 56.474 57.345 0.019 0.000 1.212 830 W CB 1.479 30.894 29.460 -0.076 0.000 1.422 830 W HN -0.050 nan 8.180 nan 0.000 0.515 831 V N 2.768 122.749 119.914 0.112 0.000 2.540 831 V HA 0.682 4.802 4.120 0.000 0.000 0.302 831 V C -0.575 175.440 176.094 -0.131 0.000 1.035 831 V CA -0.703 61.460 62.300 -0.228 0.000 0.873 831 V CB 1.817 33.354 31.823 -0.478 0.000 0.992 831 V HN 0.554 nan 8.190 nan 0.000 0.428 832 S N 5.448 120.838 115.700 -0.517 0.000 2.541 832 S HA 0.678 5.148 4.470 0.000 0.000 0.280 832 S C -1.077 172.958 174.600 -0.942 0.000 1.112 832 S CA -0.562 57.279 58.200 -0.598 0.000 0.925 832 S CB 1.937 64.867 63.200 -0.449 0.000 1.067 832 S HN 0.585 nan 8.310 nan 0.000 0.479 833 L N 4.258 124.704 121.223 -1.295 0.000 2.372 833 L HA 0.666 5.006 4.340 0.000 0.000 0.274 833 L C -1.323 175.032 176.870 -0.858 0.000 0.988 833 L CA -0.781 53.349 54.840 -1.184 0.000 0.833 833 L CB 0.898 41.893 42.059 -1.773 0.000 1.236 833 L HN 0.815 nan 8.230 nan 0.000 0.410 834 I N 1.641 121.854 120.570 -0.595 0.000 2.785 834 I HA 0.549 4.719 4.170 0.000 0.000 0.302 834 I C -0.882 175.003 176.117 -0.388 0.000 1.069 834 I CA -0.907 60.119 61.300 -0.457 0.000 1.045 834 I CB 2.432 40.218 38.000 -0.357 0.000 1.236 834 I HN 0.372 nan 8.210 nan 0.000 0.429 835 I N 2.966 123.312 120.570 -0.373 0.000 2.297 835 I HA 0.206 4.376 4.170 0.000 0.000 0.291 835 I C -0.620 175.236 176.117 -0.434 0.000 1.033 835 I CA 0.068 61.152 61.300 -0.360 0.000 1.253 835 I CB 0.774 38.572 38.000 -0.337 0.000 1.396 835 I HN 0.575 nan 8.210 nan 0.000 0.476 836 D N 5.889 126.098 120.400 -0.320 0.000 2.393 836 D HA 0.182 4.822 4.640 0.000 0.000 0.232 836 D C -0.064 176.092 176.300 -0.240 0.000 1.192 836 D CA -0.128 53.724 54.000 -0.247 0.000 0.882 836 D CB 0.335 41.046 40.800 -0.147 0.000 1.038 836 D HN 0.391 nan 8.370 nan 0.000 0.499 837 H N 1.137 120.212 119.070 0.008 0.000 2.603 837 H HA 0.473 5.030 4.556 0.000 0.000 0.370 837 H C 1.357 176.698 175.328 0.022 0.000 1.225 837 H CA -0.369 55.699 56.048 0.033 0.000 1.410 837 H CB 0.857 30.658 29.762 0.065 0.000 1.495 837 H HN 0.445 nan 8.280 nan 0.000 0.602 838 G N 0.176 109.069 108.800 0.154 0.000 2.516 838 G HA2 0.152 4.112 3.960 0.000 0.000 0.276 838 G HA3 0.152 4.112 3.960 0.000 0.000 0.276 838 G C -0.582 174.369 174.900 0.085 0.000 1.390 838 G CA -0.806 44.344 45.100 0.084 0.000 1.050 838 G HN 0.506 nan 8.290 nan 0.000 0.519 839 K N -0.034 120.398 120.400 0.054 0.000 2.276 839 K HA 0.451 4.772 4.320 0.000 0.000 0.283 839 K C 0.434 177.067 176.600 0.055 0.000 1.044 839 K CA 0.545 56.863 56.287 0.052 0.000 0.944 839 K CB 1.260 33.770 32.500 0.017 0.000 1.012 839 K HN 0.940 nan 8.250 nan 0.000 0.472 840 A N 3.282 126.144 122.820 0.071 0.000 2.416 840 A HA -0.100 4.220 4.320 0.000 0.000 0.293 840 A C -2.093 175.528 177.584 0.062 0.000 1.452 840 A CA -0.433 51.646 52.037 0.069 0.000 0.738 840 A CB -1.763 17.268 19.000 0.051 0.000 1.123 840 A HN 0.500 nan 8.150 nan 0.000 0.389 841 P HA 0.207 nan 4.420 nan 0.000 0.272 841 P C 0.644 177.962 177.300 0.031 0.000 1.223 841 P CA -0.022 63.111 63.100 0.055 0.000 0.784 841 P CB 0.817 32.548 31.700 0.052 0.000 0.923 842 K N 1.204 121.616 120.400 0.020 0.000 2.214 842 K HA 0.274 4.594 4.320 0.000 0.000 0.201 842 K C 0.920 177.512 176.600 -0.013 0.000 1.049 842 K CA 0.773 57.063 56.287 0.005 0.000 0.978 842 K CB 0.336 32.840 32.500 0.007 0.000 0.842 842 K HN 0.486 nan 8.250 nan 0.000 0.474 843 A N 1.379 124.193 122.820 -0.011 0.000 3.165 843 A HA 0.353 4.673 4.320 0.000 0.000 0.212 843 A C 0.074 177.648 177.584 -0.016 0.000 0.935 843 A CA -0.495 51.526 52.037 -0.027 0.000 1.100 843 A CB 0.201 19.187 19.000 -0.024 0.000 1.260 843 A HN 0.196 nan 8.150 nan 0.000 0.532 844 G N 0.834 109.620 108.800 -0.024 0.000 2.614 844 G HA2 0.470 4.430 3.960 0.000 0.000 0.239 844 G HA3 0.470 4.430 3.960 0.000 0.000 0.239 844 G C 0.288 175.202 174.900 0.024 0.000 1.240 844 G CA 0.781 45.893 45.100 0.020 0.000 0.842 844 G HN 1.506 nan 8.290 nan 0.000 0.584 845 S N -0.424 115.377 115.700 0.167 0.000 2.638 845 S HA 0.797 5.268 4.470 0.000 0.000 0.274 845 S C -1.086 173.710 174.600 0.326 0.000 1.157 845 S CA -0.874 57.402 58.200 0.127 0.000 0.826 845 S CB 1.869 65.073 63.200 0.008 0.000 1.139 845 S HN 1.645 nan 8.310 nan 0.000 0.474 846 Y N -1.356 119.054 120.300 0.183 0.000 2.609 846 Y HA 0.838 5.388 4.550 0.000 0.000 0.336 846 Y C -1.167 174.837 175.900 0.173 0.000 1.129 846 Y CA -0.820 57.400 58.100 0.201 0.000 1.040 846 Y CB 1.421 40.050 38.460 0.281 0.000 1.310 846 Y HN 0.928 nan 8.280 nan 0.000 0.460 847 E N 2.728 123.166 120.200 0.397 0.000 2.313 847 E HA 0.400 4.750 4.350 0.000 0.000 0.280 847 E C -2.295 174.570 176.600 0.441 0.000 0.898 847 E CA -0.635 55.956 56.400 0.317 0.000 0.803 847 E CB 1.897 31.720 29.700 0.204 0.000 1.286 847 E HN 0.784 nan 8.360 nan 0.000 0.401 848 Y N 0.965 121.458 120.300 0.322 0.000 2.609 848 Y HA 0.833 5.383 4.550 0.000 0.000 0.336 848 Y C -1.821 174.288 175.900 0.348 0.000 1.129 848 Y CA -0.965 57.316 58.100 0.302 0.000 1.040 848 Y CB 1.133 39.736 38.460 0.239 0.000 1.310 848 Y HN 0.395 nan 8.280 nan 0.000 0.460 849 A N 2.927 126.039 122.820 0.487 0.000 2.386 849 A HA 0.829 5.150 4.320 0.000 0.000 0.311 849 A C -1.566 176.194 177.584 0.293 0.000 1.068 849 A CA -0.892 51.319 52.037 0.290 0.000 0.743 849 A CB 1.038 20.268 19.000 0.383 0.000 1.258 849 A HN 0.744 nan 8.150 nan 0.000 0.429 850 I N 1.781 122.421 120.570 0.116 0.000 2.378 850 I HA 0.356 4.526 4.170 0.000 0.000 0.291 850 I C -1.101 174.877 176.117 -0.231 0.000 0.992 850 I CA -0.357 60.921 61.300 -0.036 0.000 1.154 850 I CB 1.700 39.725 38.000 0.041 0.000 1.315 850 I HN 0.463 nan 8.210 nan 0.000 0.448 851 L N 8.863 129.861 121.223 -0.374 0.000 2.366 851 L HA 0.452 4.792 4.340 0.000 0.000 0.266 851 L C -2.442 174.107 176.870 -0.535 0.000 1.010 851 L CA -1.424 53.172 54.840 -0.405 0.000 0.879 851 L CB 1.165 43.011 42.059 -0.355 0.000 1.228 851 L HN 0.300 nan 8.230 nan 0.000 0.439 852 P HA 0.243 nan 4.420 nan 0.000 0.278 852 P C 0.534 177.401 177.300 -0.722 0.000 1.238 852 P CA -0.121 62.397 63.100 -0.969 0.000 0.794 852 P CB 1.075 31.741 31.700 -1.725 0.000 0.955 853 G N 0.292 108.846 108.800 -0.411 0.000 2.350 853 G HA2 -0.186 3.774 3.960 0.000 0.000 0.298 853 G HA3 -0.186 3.774 3.960 0.000 0.000 0.298 853 G C 0.207 175.066 174.900 -0.069 0.000 1.037 853 G CA 0.500 45.523 45.100 -0.128 0.000 1.074 853 G HN 0.783 nan 8.290 nan 0.000 0.511 854 T N -0.885 113.598 114.554 -0.118 0.000 2.804 854 T HA 0.683 5.033 4.350 0.000 0.000 0.272 854 T C -0.156 174.516 174.700 -0.046 0.000 0.986 854 T CA 0.346 62.403 62.100 -0.073 0.000 0.999 854 T CB 1.201 70.002 68.868 -0.112 0.000 1.307 854 T HN 0.604 nan 8.240 nan 0.000 0.586 855 D N -0.919 119.468 120.400 -0.022 0.000 2.493 855 D HA 0.424 5.065 4.640 0.000 0.000 0.239 855 D C 0.849 177.152 176.300 0.006 0.000 1.049 855 D CA -0.909 53.087 54.000 -0.006 0.000 1.008 855 D CB 1.043 41.845 40.800 0.004 0.000 1.398 855 D HN 0.447 nan 8.370 nan 0.000 0.513 856 R N 0.136 120.645 120.500 0.014 0.000 2.091 856 R HA -0.113 4.227 4.340 0.000 0.000 0.238 856 R C 1.475 177.793 176.300 0.030 0.000 1.136 856 R CA 1.553 57.666 56.100 0.023 0.000 0.959 856 R CB -0.026 30.283 30.300 0.015 0.000 0.856 856 R HN 0.436 nan 8.270 nan 0.000 0.437 857 K N -0.402 120.014 120.400 0.027 0.000 2.057 857 K HA -0.047 4.273 4.320 0.000 0.000 0.207 857 K C 0.778 177.407 176.600 0.049 0.000 1.049 857 K CA 1.495 57.801 56.287 0.032 0.000 0.931 857 K CB -0.195 32.320 32.500 0.025 0.000 0.714 857 K HN 0.232 nan 8.250 nan 0.000 0.440 861 A N 0.692 123.567 122.820 0.091 0.000 1.969 861 A HA 0.241 4.562 4.320 0.000 0.000 0.218 861 A C 1.758 179.379 177.584 0.061 0.000 1.169 861 A CA 1.301 53.377 52.037 0.064 0.000 0.635 861 A CB -0.799 18.237 19.000 0.060 0.000 0.810 861 A HN 0.436 nan 8.150 nan 0.000 0.445 862 F N 0.672 120.602 119.950 -0.033 0.000 2.206 862 F HA 0.020 4.547 4.527 0.000 0.000 0.298 862 F C 2.471 178.163 175.800 -0.180 0.000 1.090 862 F CA 1.016 58.956 58.000 -0.100 0.000 1.323 862 F CB -0.110 38.849 39.000 -0.069 0.000 1.028 862 F HN 0.251 nan 8.300 nan 0.000 0.492 863 A N 0.146 123.049 122.820 0.139 0.000 1.930 863 A HA -0.157 4.163 4.320 0.000 0.000 0.217 863 A C 2.248 179.845 177.584 0.022 0.000 1.175 863 A CA 1.562 53.689 52.037 0.151 0.000 0.627 863 A CB -0.513 18.640 19.000 0.255 0.000 0.815 863 A HN 0.373 nan 8.150 nan 0.000 0.443 864 K N -0.779 119.614 120.400 -0.012 0.000 2.062 864 K HA -0.030 4.290 4.320 0.000 0.000 0.205 864 K C -0.188 176.344 176.600 -0.113 0.000 1.051 864 K CA 1.045 57.309 56.287 -0.038 0.000 0.941 864 K CB -0.021 32.468 32.500 -0.019 0.000 0.719 864 K HN 0.178 nan 8.250 nan 0.000 0.440 865 K N 0.923 121.210 120.400 -0.189 0.000 2.626 865 K HA 0.250 4.570 4.320 0.000 0.000 0.223 865 K C -2.823 173.462 176.600 -0.525 0.000 0.992 865 K CA -1.767 54.359 56.287 -0.269 0.000 1.024 865 K CB 1.769 34.164 32.500 -0.174 0.000 1.225 865 K HN -0.136 nan 8.250 nan 0.000 0.498 866 P HA -0.002 nan 4.420 nan 0.000 0.268 866 P C 0.074 176.843 177.300 -0.885 0.000 1.204 866 P CA -0.059 62.252 63.100 -1.314 0.000 0.768 866 P CB 1.189 32.189 31.700 -1.166 0.000 0.842 867 A N 2.858 125.166 122.820 -0.854 0.000 2.206 867 A HA 0.031 4.351 4.320 0.000 0.000 0.211 867 A C 0.392 177.981 177.584 0.008 0.000 1.158 867 A CA 0.894 52.821 52.037 -0.184 0.000 0.761 867 A CB -1.091 18.006 19.000 0.161 0.000 0.801 867 A HN 0.663 nan 8.150 nan 0.000 0.473 868 Y N -3.648 116.567 120.300 -0.142 0.000 2.602 868 Y HA 0.791 5.341 4.550 0.000 0.000 0.342 868 Y C -0.362 175.489 175.900 -0.081 0.000 1.029 868 Y CA -1.606 56.457 58.100 -0.061 0.000 1.080 868 Y CB 0.899 39.366 38.460 0.012 0.000 1.284 868 Y HN -0.151 nan 8.280 nan 0.000 0.485 869 S N 1.397 117.109 115.700 0.020 0.000 2.571 869 S HA 0.571 5.041 4.470 0.000 0.000 0.284 869 S C -1.353 173.279 174.600 0.054 0.000 1.128 869 S CA -0.807 57.363 58.200 -0.051 0.000 0.970 869 S CB 0.979 64.136 63.200 -0.072 0.000 1.039 869 S HN 1.054 nan 8.310 nan 0.000 0.485 870 V N 5.491 125.443 119.914 0.063 0.000 2.470 870 V HA 0.397 4.517 4.120 0.000 0.000 0.276 870 V C 1.050 177.136 176.094 -0.014 0.000 1.040 870 V CA -0.106 62.215 62.300 0.035 0.000 1.008 870 V CB 0.170 32.022 31.823 0.047 0.000 0.990 870 V HN 0.927 nan 8.190 nan 0.000 0.477 871 L N 2.949 124.147 121.223 -0.041 0.000 2.145 871 L HA 0.199 4.539 4.340 0.000 0.000 0.201 871 L C 1.170 178.030 176.870 -0.016 0.000 1.075 871 L CA 1.023 55.843 54.840 -0.033 0.000 0.773 871 L CB -0.036 41.992 42.059 -0.052 0.000 0.936 871 L HN 1.023 nan 8.230 nan 0.000 0.451 872 Q N -0.792 118.996 119.800 -0.020 0.000 2.482 872 Q HA 0.367 4.708 4.340 0.000 0.000 0.286 872 Q C -1.057 174.921 176.000 -0.037 0.000 1.007 872 Q CA -0.745 55.053 55.803 -0.009 0.000 0.801 872 Q CB 2.136 30.889 28.738 0.025 0.000 1.455 872 Q HN 0.012 nan 8.270 nan 0.000 0.398 873 Q N 1.483 121.241 119.800 -0.071 0.000 3.761 873 Q HA 0.266 4.606 4.340 0.000 0.000 0.206 873 Q C -2.028 173.887 176.000 -0.140 0.000 0.900 873 Q CA 0.056 55.725 55.803 -0.224 0.000 0.737 873 Q CB 0.720 29.290 28.738 -0.280 0.000 1.454 873 Q HN 0.831 nan 8.270 nan 0.000 0.448 874 D N -1.094 119.315 120.400 0.015 0.000 2.812 874 D HA 0.180 4.820 4.640 0.000 0.000 0.318 874 D C 0.809 177.150 176.300 0.068 0.000 1.234 874 D CA -0.766 53.248 54.000 0.024 0.000 0.989 874 D CB 0.430 41.232 40.800 0.004 0.000 1.442 874 D HN 0.280 nan 8.370 nan 0.000 0.537 875 R N -0.217 120.263 120.500 -0.034 0.000 2.159 875 R HA -0.133 4.207 4.340 0.000 0.000 0.237 875 R C 0.662 176.932 176.300 -0.049 0.000 1.131 875 R CA 1.291 57.314 56.100 -0.128 0.000 0.982 875 R CB -0.717 29.504 30.300 -0.133 0.000 0.868 875 R HN 0.224 nan 8.270 nan 0.000 0.453 876 N N 0.828 119.554 118.700 0.044 0.000 2.135 876 N HA 0.065 4.805 4.740 0.000 0.000 0.186 876 N C 0.205 175.837 175.510 0.203 0.000 1.027 876 N CA 1.519 54.619 53.050 0.083 0.000 0.849 876 N CB 0.209 38.726 38.487 0.050 0.000 1.002 876 N HN 0.446 nan 8.380 nan 0.000 0.425 877 A N -1.161 121.827 122.820 0.280 0.000 2.604 877 A HA 0.506 4.826 4.320 0.000 0.000 0.295 877 A C -1.694 176.176 177.584 0.477 0.000 1.067 877 A CA -0.615 51.615 52.037 0.322 0.000 0.683 877 A CB 0.723 19.826 19.000 0.173 0.000 1.281 877 A HN 0.314 nan 8.150 nan 0.000 0.407 878 H N 1.236 120.421 119.070 0.191 0.000 2.718 878 H HA 0.494 5.051 4.556 0.000 0.000 0.295 878 H C -0.989 174.369 175.328 0.051 0.000 1.051 878 H CA -0.231 55.905 56.048 0.147 0.000 1.260 878 H CB 0.852 30.769 29.762 0.258 0.000 1.403 878 H HN 0.473 nan 8.280 nan 0.000 0.488 879 I N 4.258 124.855 120.570 0.045 0.000 2.493 879 I HA 0.366 4.536 4.170 0.000 0.000 0.298 879 I C -0.696 175.296 176.117 -0.208 0.000 0.998 879 I CA -0.743 60.484 61.300 -0.122 0.000 1.137 879 I CB 2.382 40.317 38.000 -0.108 0.000 1.310 879 I HN 0.343 nan 8.210 nan 0.000 0.445 880 L N 5.848 126.882 121.223 -0.316 0.000 2.513 880 L HA 0.496 4.836 4.340 0.000 0.000 0.261 880 L C -1.425 175.320 176.870 -0.208 0.000 0.945 880 L CA -0.153 54.533 54.840 -0.258 0.000 0.848 880 L CB 2.275 44.062 42.059 -0.454 0.000 1.334 880 L HN 0.800 nan 8.230 nan 0.000 0.407 881 E N 1.909 122.054 120.200 -0.091 0.000 2.343 881 E HA 0.619 4.969 4.350 0.000 0.000 0.270 881 E C -1.549 175.065 176.600 0.024 0.000 0.895 881 E CA -0.908 55.461 56.400 -0.052 0.000 0.767 881 E CB 2.165 31.832 29.700 -0.055 0.000 1.248 881 E HN 0.343 nan 8.360 nan 0.000 0.440 882 S N 2.592 118.314 115.700 0.036 0.000 2.718 882 S HA 0.356 4.826 4.470 0.000 0.000 0.294 882 S C -2.118 172.507 174.600 0.042 0.000 1.157 882 S CA -1.648 56.590 58.200 0.063 0.000 1.121 882 S CB 1.112 64.373 63.200 0.101 0.000 1.015 882 S HN 0.456 nan 8.310 nan 0.000 0.479 883 P HA -0.100 nan 4.420 nan 0.000 0.217 883 P C 1.630 178.947 177.300 0.029 0.000 1.150 883 P CA 1.101 64.213 63.100 0.020 0.000 0.832 883 P CB 0.040 31.741 31.700 0.002 0.000 0.787 884 S N -1.159 114.561 115.700 0.033 0.000 2.387 884 S HA -0.114 4.356 4.470 0.000 0.000 0.226 884 S C 1.636 176.268 174.600 0.054 0.000 1.026 884 S CA 1.213 59.438 58.200 0.041 0.000 0.972 884 S CB -1.132 62.094 63.200 0.044 0.000 0.814 884 S HN 0.075 nan 8.310 nan 0.000 0.477 885 D N 1.076 121.515 120.400 0.066 0.000 2.349 885 D HA 0.108 4.748 4.640 0.000 0.000 0.215 885 D C 0.073 176.411 176.300 0.063 0.000 1.016 885 D CA 0.132 54.175 54.000 0.072 0.000 0.870 885 D CB 0.061 40.916 40.800 0.092 0.000 0.917 885 D HN 0.214 nan 8.370 nan 0.000 0.524 886 R N 0.062 120.595 120.500 0.054 0.000 3.531 886 R HA -0.176 4.164 4.340 0.000 0.000 0.280 886 R C -0.326 176.004 176.300 0.051 0.000 1.130 886 R CA 0.450 56.580 56.100 0.050 0.000 0.757 886 R CB -2.757 27.573 30.300 0.051 0.000 1.218 886 R HN 0.328 nan 8.270 nan 0.000 0.454 887 I N 0.307 120.907 120.570 0.050 0.000 2.474 887 I HA 0.313 4.483 4.170 0.000 0.000 0.294 887 I C 0.361 176.488 176.117 0.018 0.000 1.005 887 I CA -0.643 60.685 61.300 0.048 0.000 1.113 887 I CB 2.393 40.432 38.000 0.065 0.000 1.289 887 I HN -0.129 nan 8.210 nan 0.000 0.436 888 T N 3.133 117.691 114.554 0.007 0.000 2.809 888 T HA 0.285 4.635 4.350 0.000 0.000 0.284 888 T C -0.426 174.181 174.700 -0.154 0.000 0.992 888 T CA -0.578 61.459 62.100 -0.105 0.000 0.957 888 T CB 1.494 70.306 68.868 -0.093 0.000 0.942 888 T HN 0.500 nan 8.240 nan 0.000 0.439 889 S N 2.736 118.281 115.700 -0.258 0.000 2.437 889 S HA 0.595 5.065 4.470 0.000 0.000 0.305 889 S C -1.401 173.037 174.600 -0.270 0.000 1.109 889 S CA -0.634 57.495 58.200 -0.117 0.000 1.099 889 S CB 0.139 63.362 63.200 0.038 0.000 1.004 889 S HN 0.564 nan 8.310 nan 0.000 0.475 890 Y N 3.372 123.707 120.300 0.059 0.000 2.345 890 Y HA 0.467 5.017 4.550 0.000 0.000 0.331 890 Y C -0.212 175.696 175.900 0.013 0.000 0.959 890 Y CA -0.872 57.248 58.100 0.033 0.000 1.204 890 Y CB 1.535 39.993 38.460 -0.003 0.000 1.135 890 Y HN 0.326 nan 8.280 nan 0.000 0.477 891 V N 6.184 126.170 119.914 0.120 0.000 2.293 891 V HA 0.309 4.429 4.120 0.000 0.000 0.275 891 V C -0.375 175.565 176.094 -0.256 0.000 1.021 891 V CA -0.683 61.555 62.300 -0.103 0.000 0.815 891 V CB 0.671 32.367 31.823 -0.211 0.000 1.025 891 V HN 0.592 nan 8.190 nan 0.000 0.448 892 L N 5.081 126.189 121.223 -0.191 0.000 2.283 892 L HA 0.449 4.789 4.340 0.000 0.000 0.281 892 L C 0.688 177.298 176.870 -0.432 0.000 1.033 892 L CA -0.185 54.546 54.840 -0.181 0.000 0.848 892 L CB 0.630 42.667 42.059 -0.036 0.000 1.226 892 L HN 0.458 nan 8.230 nan 0.000 0.429 893 F N 0.451 120.145 119.950 -0.426 0.000 2.259 893 F HA 0.007 4.534 4.527 0.000 0.000 0.298 893 F C 1.244 176.696 175.800 -0.581 0.000 1.088 893 F CA 0.694 58.188 58.000 -0.842 0.000 1.358 893 F CB 0.291 38.940 39.000 -0.586 0.000 1.040 893 F HN 0.461 nan 8.300 nan 0.000 0.505 894 E N -1.567 118.556 120.200 -0.129 0.000 2.392 894 E HA 0.292 4.642 4.350 0.000 0.000 0.269 894 E C -0.548 176.020 176.600 -0.052 0.000 0.924 894 E CA -0.704 55.642 56.400 -0.089 0.000 0.784 894 E CB 1.467 31.134 29.700 -0.056 0.000 1.292 894 E HN -0.275 nan 8.360 nan 0.000 0.447 895 T N 3.830 118.363 114.554 -0.035 0.000 2.831 895 T HA 0.158 4.508 4.350 0.000 0.000 0.291 895 T C -2.231 172.461 174.700 -0.013 0.000 0.981 895 T CA -0.557 61.531 62.100 -0.019 0.000 1.174 895 T CB 0.097 68.957 68.868 -0.013 0.000 0.929 895 T HN 0.152 nan 8.240 nan 0.000 0.532 896 P HA 0.301 nan 4.420 nan 0.000 0.258 896 P C -1.104 176.198 177.300 0.004 0.000 1.647 896 P CA -0.872 62.230 63.100 0.004 0.000 1.099 896 P CB 0.387 32.094 31.700 0.012 0.000 1.604 897 Q N 1.093 120.895 119.800 0.003 0.000 2.349 897 Q HA 0.508 4.848 4.340 0.000 0.000 0.254 897 Q C 0.618 176.623 176.000 0.009 0.000 0.980 897 Q CA -0.108 55.698 55.803 0.005 0.000 0.924 897 Q CB 1.341 30.080 28.738 0.001 0.000 1.209 897 Q HN 0.288 nan 8.270 nan 0.000 0.445 898 S N 2.223 117.931 115.700 0.013 0.000 3.894 898 S HA 0.360 4.830 4.470 0.000 0.000 0.189 898 S C -0.755 173.856 174.600 0.019 0.000 1.096 898 S CA -0.525 57.684 58.200 0.014 0.000 1.481 898 S CB -0.032 63.176 63.200 0.013 0.000 1.321 898 S HN 0.585 nan 8.310 nan 0.000 0.828 899 L N 3.858 125.095 121.223 0.023 0.000 2.597 899 L HA 0.344 4.684 4.340 0.000 0.000 0.271 899 L C -0.894 176.002 176.870 0.043 0.000 1.157 899 L CA 0.020 54.877 54.840 0.030 0.000 0.928 899 L CB -0.515 41.562 42.059 0.031 0.000 1.216 899 L HN 0.437 nan 8.230 nan 0.000 0.481 900 L N 8.456 129.708 121.223 0.049 0.000 2.453 900 L HA 0.327 4.667 4.340 0.000 0.000 0.272 900 L C -1.755 175.186 176.870 0.118 0.000 1.182 900 L CA -1.376 53.517 54.840 0.089 0.000 0.858 900 L CB -0.219 41.886 42.059 0.076 0.000 1.120 900 L HN 0.563 nan 8.230 nan 0.000 0.474 901 P HA 0.463 nan 4.420 nan 0.000 0.274 901 P C 0.430 177.838 177.300 0.181 0.000 1.246 901 P CA 0.119 63.290 63.100 0.118 0.000 0.795 901 P CB 1.013 32.757 31.700 0.074 0.000 1.006 902 G N -0.612 108.264 108.800 0.127 0.000 2.699 902 G HA2 0.090 4.050 3.960 0.000 0.000 0.198 902 G HA3 0.090 4.050 3.960 0.000 0.000 0.198 902 G C 0.777 175.754 174.900 0.128 0.000 1.033 902 G CA 0.427 45.615 45.100 0.146 0.000 0.728 902 G HN 1.031 nan 8.290 nan 0.000 0.484 903 G N -0.341 108.533 108.800 0.124 0.000 2.279 903 G HA2 -0.166 3.794 3.960 0.000 0.000 0.223 903 G HA3 -0.166 3.794 3.960 0.000 0.000 0.223 903 G C 1.120 176.093 174.900 0.121 0.000 1.015 903 G CA 1.011 46.175 45.100 0.107 0.000 0.621 903 G HN 1.486 nan 8.290 nan 0.000 0.506 904 L N -0.116 121.182 121.223 0.125 0.000 2.453 904 L HA 0.612 4.952 4.340 0.000 0.000 0.190 904 L C 1.155 178.050 176.870 0.041 0.000 1.093 904 L CA 0.047 54.949 54.840 0.103 0.000 0.834 904 L CB 0.181 42.278 42.059 0.063 0.000 1.090 904 L HN 0.241 nan 8.230 nan 0.000 0.489 905 L N 1.126 122.344 121.223 -0.008 0.000 2.369 905 L HA 0.045 4.385 4.340 0.000 0.000 0.279 905 L C 0.540 177.363 176.870 -0.078 0.000 1.108 905 L CA 0.289 55.039 54.840 -0.150 0.000 0.852 905 L CB 1.146 42.887 42.059 -0.531 0.000 1.169 905 L HN 0.497 nan 8.230 nan 0.000 0.452 906 Q N 3.929 123.700 119.800 -0.048 0.000 2.263 906 Q HA 0.206 4.547 4.340 0.000 0.000 0.196 906 Q C 0.173 176.159 176.000 -0.022 0.000 0.965 906 Q CA 0.457 56.256 55.803 -0.007 0.000 0.851 906 Q CB 0.774 29.525 28.738 0.022 0.000 0.948 906 Q HN 0.614 nan 8.270 nan 0.000 0.516 907 R N -0.475 120.003 120.500 -0.037 0.000 2.836 907 R HA 0.548 4.888 4.340 0.000 0.000 0.269 907 R C -1.207 175.062 176.300 -0.052 0.000 1.010 907 R CA -0.338 55.743 56.100 -0.033 0.000 0.930 907 R CB 2.461 32.755 30.300 -0.009 0.000 1.218 907 R HN -0.093 nan 8.270 nan 0.000 0.473 908 T N -0.165 114.365 114.554 -0.040 0.000 2.912 908 T HA 0.073 4.423 4.350 0.000 0.000 0.299 908 T C -0.018 174.672 174.700 -0.017 0.000 1.052 908 T CA -0.534 61.542 62.100 -0.040 0.000 0.996 908 T CB 1.916 70.748 68.868 -0.061 0.000 1.070 908 T HN 0.624 nan 8.240 nan 0.000 0.465 909 D N 1.455 121.852 120.400 -0.007 0.000 2.097 909 D HA 0.000 4.640 4.640 0.000 0.000 0.197 909 D C 0.729 177.030 176.300 0.001 0.000 0.984 909 D CA 1.343 55.344 54.000 0.002 0.000 0.826 909 D CB 0.455 41.261 40.800 0.011 0.000 0.973 909 D HN 0.484 nan 8.370 nan 0.000 0.460 910 T N -1.663 112.893 114.554 0.002 0.000 2.853 910 T HA 0.382 4.732 4.350 0.000 0.000 0.311 910 T C -1.228 173.484 174.700 0.020 0.000 1.307 910 T CA -0.447 61.658 62.100 0.009 0.000 1.019 910 T CB 1.119 69.996 68.868 0.015 0.000 1.264 910 T HN 0.092 nan 8.240 nan 0.000 0.497 911 S N 1.836 117.552 115.700 0.027 0.000 2.702 911 S HA 0.366 4.836 4.470 0.000 0.000 0.314 911 S C 0.641 175.373 174.600 0.221 0.000 1.244 911 S CA 0.048 58.280 58.200 0.054 0.000 1.058 911 S CB -1.764 61.417 63.200 -0.031 0.000 0.783 911 S HN 1.450 nan 8.310 nan 0.000 0.503 912 C N 2.048 121.480 119.300 0.219 0.000 3.272 912 C HA 0.778 5.238 4.460 0.000 0.000 0.363 912 C C -1.652 173.387 174.990 0.082 0.000 1.514 912 C CA -1.181 57.917 59.018 0.134 0.000 1.185 912 C CB -0.061 27.681 27.740 0.002 0.000 1.716 912 C HN 0.712 nan 8.230 nan 0.000 0.440 913 L N 1.629 122.828 121.223 -0.041 0.000 2.341 913 L HA 0.892 5.232 4.340 0.000 0.000 0.278 913 L C 0.205 177.046 176.870 -0.049 0.000 1.005 913 L CA -0.219 54.594 54.840 -0.045 0.000 0.818 913 L CB 1.477 43.468 42.059 -0.113 0.000 1.259 913 L HN 0.855 nan 8.230 nan 0.000 0.418 917 R N 3.330 123.853 120.500 0.038 0.000 2.437 917 R HA 0.568 4.908 4.340 0.000 0.000 0.310 917 R C -0.664 175.654 176.300 0.029 0.000 0.955 917 R CA -0.820 55.305 56.100 0.041 0.000 0.851 917 R CB 1.700 32.027 30.300 0.046 0.000 1.161 917 R HN 0.717 nan 8.270 nan 0.000 0.446 918 K N 3.298 123.723 120.400 0.041 0.000 2.268 918 K HA 0.029 4.349 4.320 0.000 0.000 0.276 918 K C 0.391 177.025 176.600 0.056 0.000 1.080 918 K CA -0.148 56.168 56.287 0.049 0.000 0.910 918 K CB 1.394 33.931 32.500 0.062 0.000 1.163 918 K HN 0.602 nan 8.250 nan 0.000 0.465 919 E N 2.792 123.027 120.200 0.059 0.000 2.046 919 E HA -0.091 4.260 4.350 0.000 0.000 0.190 919 E C -0.171 176.469 176.600 0.066 0.000 0.982 919 E CA 1.299 57.735 56.400 0.060 0.000 0.800 919 E CB 0.317 30.053 29.700 0.060 0.000 0.756 919 E HN 0.633 nan 8.360 nan 0.000 0.449 920 S N -2.494 113.255 115.700 0.082 0.000 2.757 920 S HA 0.623 5.093 4.470 0.000 0.000 0.285 920 S C 0.754 175.423 174.600 0.116 0.000 1.196 920 S CA -0.485 57.765 58.200 0.085 0.000 0.856 920 S CB 0.494 63.739 63.200 0.074 0.000 1.212 920 S HN 0.143 nan 8.310 nan 0.000 0.516 921 A N 0.109 122.992 122.820 0.106 0.000 2.125 921 A HA 0.026 4.347 4.320 0.000 0.000 0.219 921 A C 1.172 178.858 177.584 0.170 0.000 1.156 921 A CA 1.813 53.927 52.037 0.128 0.000 0.671 921 A CB -0.875 18.173 19.000 0.080 0.000 0.794 921 A HN 0.709 nan 8.150 nan 0.000 0.459 922 D N -0.975 119.519 120.400 0.157 0.000 2.431 922 D HA 0.130 4.771 4.640 0.000 0.000 0.227 922 D C 0.163 176.634 176.300 0.284 0.000 1.030 922 D CA 0.754 54.855 54.000 0.169 0.000 0.897 922 D CB 0.228 41.083 40.800 0.091 0.000 1.058 922 D HN 0.338 nan 8.370 nan 0.000 0.500 923 K N 0.704 121.235 120.400 0.219 0.000 2.323 923 K HA 0.595 4.915 4.320 0.000 0.000 0.259 923 K C -1.046 175.626 176.600 0.120 0.000 0.947 923 K CA -0.482 55.912 56.287 0.179 0.000 0.819 923 K CB 3.176 35.745 32.500 0.114 0.000 1.109 923 K HN -0.272 nan 8.250 nan 0.000 0.429 924 V N 3.418 123.362 119.914 0.050 0.000 2.709 924 V HA 0.366 4.487 4.120 0.000 0.000 0.308 924 V C -1.281 174.782 176.094 -0.053 0.000 1.062 924 V CA -1.030 61.233 62.300 -0.062 0.000 0.901 924 V CB 1.922 33.568 31.823 -0.295 0.000 1.003 924 V HN 0.550 nan 8.190 nan 0.000 0.425 925 L N 5.362 126.571 121.223 -0.024 0.000 2.265 925 L HA 0.565 4.905 4.340 0.000 0.000 0.289 925 L C -0.793 176.072 176.870 -0.008 0.000 1.033 925 L CA 0.062 54.904 54.840 0.002 0.000 0.814 925 L CB 1.001 43.077 42.059 0.028 0.000 1.203 925 L HN 0.601 nan 8.230 nan 0.000 0.423 926 L N 5.038 126.261 121.223 0.000 0.000 2.307 926 L HA 0.618 4.958 4.340 0.000 0.000 0.284 926 L C -0.776 176.110 176.870 0.026 0.000 1.023 926 L CA -0.021 54.817 54.840 -0.004 0.000 0.810 926 L CB 1.694 43.746 42.059 -0.011 0.000 1.231 926 L HN 0.774 nan 8.230 nan 0.000 0.423 927 T N 4.356 118.887 114.554 -0.039 0.000 2.921 927 T HA 0.650 5.000 4.350 0.000 0.000 0.297 927 T C -1.367 173.219 174.700 -0.191 0.000 1.013 927 T CA -0.328 61.728 62.100 -0.074 0.000 0.990 927 T CB 1.372 70.230 68.868 -0.018 0.000 1.023 927 T HN 0.349 nan 8.240 nan 0.000 0.447 928 V N 3.372 123.091 119.914 -0.324 0.000 2.789 928 V HA 0.953 5.073 4.120 0.000 0.000 0.311 928 V C -0.168 175.809 176.094 -0.195 0.000 1.073 928 V CA -0.727 61.343 62.300 -0.383 0.000 0.921 928 V CB 1.743 33.063 31.823 -0.839 0.000 1.009 928 V HN 1.213 nan 8.190 nan 0.000 0.426 929 A N 3.261 125.995 122.820 -0.143 0.000 2.475 929 A HA 0.857 5.178 4.320 0.000 0.000 0.301 929 A C -1.120 176.392 177.584 -0.120 0.000 1.059 929 A CA -0.679 51.300 52.037 -0.096 0.000 0.710 929 A CB 2.031 20.958 19.000 -0.122 0.000 1.288 929 A HN 0.737 nan 8.150 nan 0.000 0.408 930 Q N 2.492 122.231 119.800 -0.101 0.000 2.456 930 Q HA 0.438 4.779 4.340 0.000 0.000 0.252 930 Q C -2.047 173.815 176.000 -0.230 0.000 1.042 930 Q CA -2.030 53.687 55.803 -0.143 0.000 0.766 930 Q CB 1.376 30.070 28.738 -0.075 0.000 1.196 930 Q HN 0.423 nan 8.270 nan 0.000 0.504 931 P HA -0.153 nan 4.420 nan 0.000 0.218 931 P C -0.195 176.906 177.300 -0.332 0.000 1.146 931 P CA 0.812 63.636 63.100 -0.460 0.000 0.813 931 P CB 0.174 31.366 31.700 -0.847 0.000 0.778 932 D N 0.046 120.292 120.400 -0.257 0.000 2.346 932 D HA -0.005 4.636 4.640 0.000 0.000 0.267 932 D C 1.213 177.379 176.300 -0.224 0.000 1.320 932 D CA -0.054 53.865 54.000 -0.134 0.000 0.951 932 D CB 0.042 40.806 40.800 -0.060 0.000 1.079 932 D HN -0.234 nan 8.370 nan 0.000 0.509 933 L N 4.306 125.316 121.223 -0.355 0.000 2.187 933 L HA -0.050 4.290 4.340 0.000 0.000 0.213 933 L C 1.680 178.211 176.870 -0.565 0.000 1.100 933 L CA 1.406 55.911 54.840 -0.559 0.000 0.765 933 L CB -1.040 40.548 42.059 -0.786 0.000 0.904 933 L HN 0.709 nan 8.230 nan 0.000 0.437 934 A N -1.530 120.917 122.820 -0.622 0.000 2.667 934 A HA -0.224 4.096 4.320 0.000 0.000 0.298 934 A C 1.382 178.737 177.584 -0.381 0.000 1.483 934 A CA 0.837 52.638 52.037 -0.393 0.000 0.738 934 A CB -1.994 16.885 19.000 -0.201 0.000 1.067 934 A HN 0.373 nan 8.150 nan 0.000 0.451 935 L N -1.604 119.264 121.223 -0.591 0.000 2.217 935 L HA 0.111 4.451 4.340 0.000 0.000 0.211 935 L C 1.129 178.015 176.870 0.026 0.000 1.107 935 L CA 1.504 56.222 54.840 -0.204 0.000 0.783 935 L CB -0.392 41.619 42.059 -0.079 0.000 0.919 935 L HN 0.952 nan 8.230 nan 0.000 0.442 936 Y N -4.652 115.567 120.300 -0.134 0.000 2.576 936 Y HA 0.585 5.135 4.550 0.000 0.000 0.346 936 Y C 0.775 176.640 175.900 -0.060 0.000 1.018 936 Y CA -1.324 56.709 58.100 -0.111 0.000 1.050 936 Y CB 0.903 39.213 38.460 -0.250 0.000 1.280 936 Y HN -0.343 nan 8.280 nan 0.000 0.474 937 R N 1.626 122.183 120.500 0.095 0.000 2.128 937 R HA 0.229 4.569 4.340 0.000 0.000 0.211 937 R C 0.984 177.308 176.300 0.040 0.000 1.067 937 R CA 0.737 56.851 56.100 0.022 0.000 1.010 937 R CB -0.216 30.104 30.300 0.034 0.000 0.922 937 R HN 1.041 nan 8.270 nan 0.000 0.457 938 G N 2.027 110.901 108.800 0.123 0.000 2.485 938 G HA2 0.215 4.175 3.960 0.000 0.000 0.260 938 G HA3 0.215 4.175 3.960 0.000 0.000 0.260 938 G C -2.026 172.938 174.900 0.107 0.000 1.459 938 G CA -0.565 44.598 45.100 0.104 0.000 1.060 938 G HN 0.073 nan 8.290 nan 0.000 0.546 939 P HA 0.161 nan 4.420 nan 0.000 0.270 939 P C 0.092 177.498 177.300 0.176 0.000 1.223 939 P CA -0.244 62.920 63.100 0.107 0.000 0.785 939 P CB 0.735 32.493 31.700 0.098 0.000 0.923 940 S N 0.604 116.397 115.700 0.155 0.000 2.593 940 S HA -0.093 4.377 4.470 0.000 0.000 0.300 940 S C 0.230 174.917 174.600 0.145 0.000 1.267 940 S CA -0.140 58.178 58.200 0.196 0.000 1.065 940 S CB -0.757 62.516 63.200 0.120 0.000 0.807 940 S HN 0.457 nan 8.310 nan 0.000 0.499 941 D N 3.244 123.692 120.400 0.080 0.000 2.344 941 D HA 0.316 4.956 4.640 0.000 0.000 0.253 941 D C -0.254 176.038 176.300 -0.013 0.000 1.255 941 D CA 0.211 54.160 54.000 -0.086 0.000 0.894 941 D CB 0.368 40.968 40.800 -0.333 0.000 1.067 941 D HN 0.538 nan 8.370 nan 0.000 0.492 942 E N 1.386 121.520 120.200 -0.109 0.000 2.340 942 E HA 0.718 5.068 4.350 0.000 0.000 0.273 942 E C -1.504 174.867 176.600 -0.382 0.000 0.891 942 E CA -0.992 55.214 56.400 -0.323 0.000 0.757 942 E CB 1.931 31.236 29.700 -0.657 0.000 1.231 942 E HN 0.336 nan 8.360 nan 0.000 0.439 943 A N 3.521 126.116 122.820 -0.376 0.000 2.273 943 A HA 0.657 4.977 4.320 0.000 0.000 0.315 943 A C -1.192 176.213 177.584 -0.298 0.000 1.256 943 A CA -0.451 51.446 52.037 -0.233 0.000 0.851 943 A CB 0.012 18.961 19.000 -0.085 0.000 1.172 943 A HN 0.508 nan 8.150 nan 0.000 0.508 944 F N 1.052 121.016 119.950 0.023 0.000 2.399 944 F HA 0.329 4.856 4.527 0.000 0.000 0.328 944 F C 0.909 176.717 175.800 0.014 0.000 1.084 944 F CA -0.184 57.825 58.000 0.015 0.000 1.053 944 F CB 1.178 40.187 39.000 0.014 0.000 1.209 944 F HN 0.595 nan 8.300 nan 0.000 0.502 945 D N 0.997 121.549 120.400 0.253 0.000 2.398 945 D HA 0.056 4.696 4.640 0.000 0.000 0.247 945 D C 1.075 177.440 176.300 0.108 0.000 1.227 945 D CA -0.090 53.991 54.000 0.135 0.000 0.980 945 D CB 0.987 41.850 40.800 0.105 0.000 1.106 945 D HN 0.486 nan 8.370 nan 0.000 0.493 946 K N -0.188 120.252 120.400 0.067 0.000 2.147 946 K HA -0.122 4.198 4.320 0.000 0.000 0.205 946 K C 0.585 177.204 176.600 0.032 0.000 1.049 946 K CA 1.317 57.630 56.287 0.044 0.000 0.936 946 K CB 0.199 32.718 32.500 0.033 0.000 0.722 946 K HN 0.344 nan 8.250 nan 0.000 0.446 947 D N -1.563 118.860 120.400 0.038 0.000 2.354 947 D HA 0.062 4.702 4.640 0.000 0.000 0.209 947 D C 0.958 177.270 176.300 0.020 0.000 1.015 947 D CA 0.992 55.007 54.000 0.025 0.000 0.867 947 D CB 0.947 41.765 40.800 0.029 0.000 0.933 947 D HN 0.449 nan 8.370 nan 0.000 0.520 948 G N 1.118 109.948 108.800 0.049 0.000 2.148 948 G HA2 -0.225 3.735 3.960 0.000 0.000 0.203 948 G HA3 -0.225 3.735 3.960 0.000 0.000 0.203 948 G C 0.160 175.161 174.900 0.169 0.000 0.993 948 G CA -0.460 44.656 45.100 0.026 0.000 0.661 948 G HN 0.217 nan 8.290 nan 0.000 0.518 949 K N 0.611 121.116 120.400 0.176 0.000 2.185 949 K HA 0.506 4.826 4.320 0.000 0.000 0.271 949 K C 1.144 177.855 176.600 0.185 0.000 1.013 949 K CA -0.599 55.784 56.287 0.159 0.000 0.943 949 K CB 1.079 33.626 32.500 0.078 0.000 0.998 949 K HN 0.256 nan 8.250 nan 0.000 0.468 953 R N 1.800 122.297 120.500 -0.005 0.000 2.575 953 R HA 0.358 4.699 4.340 0.000 0.000 0.293 953 R C -0.408 175.958 176.300 0.112 0.000 0.983 953 R CA -0.806 55.325 56.100 0.052 0.000 0.887 953 R CB 2.041 32.383 30.300 0.071 0.000 1.184 953 R HN 0.591 nan 8.270 nan 0.000 0.445 954 S N 1.950 117.711 115.700 0.101 0.000 2.572 954 S HA 0.013 4.483 4.470 0.000 0.000 0.279 954 S C 1.284 175.927 174.600 0.073 0.000 1.341 954 S CA -0.574 57.692 58.200 0.110 0.000 1.043 954 S CB 0.713 64.003 63.200 0.150 0.000 0.887 954 S HN 0.657 nan 8.310 nan 0.000 0.516 955 I N 2.715 123.275 120.570 -0.018 0.000 2.335 955 I HA -0.119 4.051 4.170 0.000 0.000 0.251 955 I C 1.639 177.516 176.117 -0.400 0.000 1.129 955 I CA 1.390 62.514 61.300 -0.292 0.000 1.402 955 I CB -0.623 37.179 38.000 -0.330 0.000 1.069 955 I HN 0.839 nan 8.210 nan 0.000 0.424 956 Y N -0.146 120.081 120.300 -0.122 0.000 2.403 956 Y HA -0.210 4.340 4.550 0.000 0.000 0.291 956 Y C 2.705 178.385 175.900 -0.366 0.000 1.143 956 Y CA 1.006 59.019 58.100 -0.145 0.000 1.257 956 Y CB -0.754 37.708 38.460 0.004 0.000 0.984 956 Y HN 0.352 nan 8.280 nan 0.000 0.550 957 S N -0.370 115.094 115.700 -0.394 0.000 2.527 957 S HA 0.048 4.518 4.470 0.000 0.000 0.222 957 S C 0.680 174.835 174.600 -0.741 0.000 0.985 957 S CA -0.302 57.303 58.200 -0.993 0.000 0.921 957 S CB -0.016 62.836 63.200 -0.581 0.000 0.772 957 S HN 0.031 nan 8.310 nan 0.000 0.529 958 R N 2.603 122.740 120.500 -0.605 0.000 2.390 958 R HA 0.335 4.675 4.340 0.000 0.000 0.291 958 R C -1.978 173.902 176.300 -0.700 0.000 1.070 958 R CA -2.603 53.062 56.100 -0.724 0.000 1.014 958 R CB -0.518 29.059 30.300 -1.206 0.000 1.007 958 R HN 0.201 nan 8.270 nan 0.000 0.466 959 P HA -0.019 nan 4.420 nan 0.000 0.241 959 P C 0.489 177.719 177.300 -0.115 0.000 1.191 959 P CA 0.731 63.694 63.100 -0.228 0.000 0.771 959 P CB 0.128 31.781 31.700 -0.079 0.000 0.929 960 W N 0.837 122.123 121.300 -0.022 0.000 3.220 960 W HA 0.284 4.944 4.660 0.000 0.000 0.328 960 W C 1.217 177.780 176.519 0.073 0.000 1.205 960 W CA -0.337 57.036 57.345 0.047 0.000 1.773 960 W CB -1.110 28.416 29.460 0.109 0.000 1.086 960 W HN -0.126 nan 8.180 nan 0.000 0.622 961 I N -0.753 119.720 120.570 -0.163 0.000 3.083 961 I HA -0.061 4.109 4.170 0.000 0.000 0.273 961 I C 0.557 176.719 176.117 0.077 0.000 1.297 961 I CA 1.312 62.555 61.300 -0.095 0.000 1.452 961 I CB -0.377 37.431 38.000 -0.320 0.000 1.078 961 I HN -0.271 nan 8.210 nan 0.000 0.484 962 D N 0.748 121.195 120.400 0.079 0.000 2.431 962 D HA 0.131 4.771 4.640 0.000 0.000 0.213 962 D C -0.182 176.169 176.300 0.085 0.000 1.130 962 D CA -0.031 54.006 54.000 0.062 0.000 0.834 962 D CB 0.004 40.820 40.800 0.026 0.000 0.985 962 D HN 0.327 nan 8.370 nan 0.000 0.504 963 N N 1.966 120.756 118.700 0.151 0.000 2.518 963 N HA 0.014 4.754 4.740 0.000 0.000 0.266 963 N C 0.473 176.036 175.510 0.088 0.000 1.196 963 N CA 0.156 53.287 53.050 0.134 0.000 0.947 963 N CB 0.808 39.415 38.487 0.200 0.000 1.098 963 N HN -0.010 nan 8.380 nan 0.000 0.450 964 E N 0.087 120.322 120.200 0.058 0.000 2.414 964 E HA -0.064 4.286 4.350 0.000 0.000 0.263 964 E C -0.037 176.577 176.600 0.024 0.000 1.000 964 E CA 0.175 56.599 56.400 0.039 0.000 0.914 964 E CB 0.490 30.208 29.700 0.030 0.000 0.948 964 E HN 0.417 nan 8.360 nan 0.000 0.444 965 S N 1.841 117.556 115.700 0.025 0.000 2.544 965 S HA 0.134 4.604 4.470 0.000 0.000 0.290 965 S C 0.380 174.954 174.600 -0.044 0.000 1.276 965 S CA -0.185 57.988 58.200 -0.044 0.000 1.075 965 S CB 0.164 63.348 63.200 -0.027 0.000 0.849 965 S HN 0.515 nan 8.310 nan 0.000 0.494 966 G N 3.568 112.319 108.800 -0.082 0.000 2.432 966 G HA2 0.245 4.205 3.960 0.000 0.000 0.257 966 G HA3 0.245 4.205 3.960 0.000 0.000 0.257 966 G C -0.375 174.495 174.900 -0.050 0.000 1.238 966 G CA -0.560 44.507 45.100 -0.054 0.000 0.838 966 G HN 0.831 nan 8.290 nan 0.000 0.547 967 E N 1.111 121.294 120.200 -0.028 0.000 2.290 967 E HA 0.233 4.584 4.350 0.000 0.000 0.277 967 E C -0.334 176.247 176.600 -0.031 0.000 1.035 967 E CA -0.164 56.220 56.400 -0.027 0.000 0.873 967 E CB 0.527 30.215 29.700 -0.019 0.000 1.029 967 E HN 0.285 nan 8.360 nan 0.000 0.419 968 I N 7.167 127.716 120.570 -0.035 0.000 2.382 968 I HA 0.266 4.436 4.170 0.000 0.000 0.286 968 I C -2.272 173.834 176.117 -0.018 0.000 1.002 968 I CA -2.550 58.733 61.300 -0.027 0.000 1.135 968 I CB 1.807 39.788 38.000 -0.032 0.000 1.288 968 I HN 0.341 nan 8.210 nan 0.000 0.448 969 P HA 0.173 nan 4.420 nan 0.000 0.276 969 P C -0.851 176.463 177.300 0.023 0.000 1.243 969 P CA -0.182 62.920 63.100 0.004 0.000 0.768 969 P CB 0.928 32.627 31.700 -0.002 0.000 0.856 970 V N 4.192 124.142 119.914 0.059 0.000 2.407 970 V HA 0.327 4.447 4.120 0.000 0.000 0.291 970 V C 0.013 176.181 176.094 0.124 0.000 1.018 970 V CA -0.316 62.024 62.300 0.068 0.000 0.842 970 V CB 1.856 33.702 31.823 0.038 0.000 0.996 970 V HN 0.454 nan 8.190 nan 0.000 0.426 971 T N 4.647 119.247 114.554 0.075 0.000 2.767 971 T HA 0.581 4.931 4.350 0.000 0.000 0.284 971 T C -0.171 174.567 174.700 0.063 0.000 0.973 971 T CA -0.463 61.685 62.100 0.080 0.000 0.996 971 T CB 1.454 70.345 68.868 0.039 0.000 0.927 971 T HN 0.633 nan 8.240 nan 0.000 0.456 972 V N 1.161 121.133 119.914 0.096 0.000 2.513 972 V HA 0.772 4.892 4.120 0.000 0.000 0.299 972 V C -0.086 176.026 176.094 0.031 0.000 1.035 972 V CA -0.732 61.592 62.300 0.040 0.000 0.889 972 V CB 1.555 33.403 31.823 0.042 0.000 0.988 972 V HN 0.805 nan 8.190 nan 0.000 0.440 973 T N 6.527 121.080 114.554 -0.002 0.000 2.758 973 T HA 0.735 5.085 4.350 0.000 0.000 0.285 973 T C -0.384 174.324 174.700 0.012 0.000 0.981 973 T CA -0.197 61.912 62.100 0.015 0.000 0.965 973 T CB 0.819 69.694 68.868 0.012 0.000 0.927 973 T HN 0.639 nan 8.240 nan 0.000 0.448 974 L N 2.466 123.721 121.223 0.055 0.000 2.362 974 L HA 0.566 4.906 4.340 0.000 0.000 0.271 974 L C 0.274 177.260 176.870 0.193 0.000 1.002 974 L CA -1.124 53.765 54.840 0.082 0.000 0.818 974 L CB 1.853 43.923 42.059 0.018 0.000 1.298 974 L HN 0.377 nan 8.230 nan 0.000 0.420 975 K N 2.006 122.538 120.400 0.220 0.000 2.322 975 K HA 0.514 4.834 4.320 0.000 0.000 0.283 975 K C 0.250 177.055 176.600 0.341 0.000 1.042 975 K CA 0.751 57.174 56.287 0.227 0.000 0.958 975 K CB 0.679 33.282 32.500 0.172 0.000 0.984 975 K HN 0.843 nan 8.250 nan 0.000 0.473 976 G N 2.960 111.849 108.800 0.148 0.000 2.756 976 G HA2 -0.216 3.744 3.960 0.000 0.000 0.678 976 G HA3 -0.216 3.744 3.960 0.000 0.000 0.678 976 G C -1.000 173.801 174.900 -0.167 0.000 1.349 976 G CA -0.831 44.239 45.100 -0.050 0.000 0.847 976 G HN 0.695 nan 8.290 nan 0.000 0.548 977 R N -0.640 119.646 120.500 -0.356 0.000 2.298 977 R HA 0.434 4.774 4.340 0.000 0.000 0.310 977 R C -0.745 175.215 176.300 -0.566 0.000 1.068 977 R CA 0.197 56.117 56.100 -0.301 0.000 0.957 977 R CB 0.575 30.748 30.300 -0.212 0.000 1.003 977 R HN 0.467 nan 8.270 nan 0.000 0.454 978 W N 2.534 123.840 121.300 0.010 0.000 2.883 978 W HA 0.349 5.009 4.660 0.000 0.000 0.335 978 W C -0.278 176.244 176.519 0.005 0.000 1.083 978 W CA -0.915 56.438 57.345 0.013 0.000 1.233 978 W CB 1.447 30.921 29.460 0.022 0.000 1.412 978 W HN 0.031 nan 8.180 nan 0.000 0.490 979 K N 2.685 123.233 120.400 0.247 0.000 2.206 979 K HA 0.719 5.039 4.320 0.000 0.000 0.264 979 K C -0.861 175.819 176.600 0.134 0.000 0.967 979 K CA -0.889 55.481 56.287 0.137 0.000 0.844 979 K CB 1.943 34.491 32.500 0.080 0.000 1.099 979 K HN 0.339 nan 8.250 nan 0.000 0.441 980 V N 1.931 121.890 119.914 0.074 0.000 2.876 980 V HA 0.321 4.441 4.120 0.000 0.000 0.312 980 V C -0.228 175.865 176.094 -0.003 0.000 1.085 980 V CA -1.199 61.123 62.300 0.038 0.000 0.945 980 V CB 2.337 34.166 31.823 0.010 0.000 1.017 980 V HN 0.399 nan 8.190 nan 0.000 0.428 981 V N 2.875 122.782 119.914 -0.012 0.000 2.427 981 V HA 0.189 4.309 4.120 0.000 0.000 0.268 981 V C 0.556 176.595 176.094 -0.092 0.000 1.046 981 V CA -0.285 61.993 62.300 -0.037 0.000 0.970 981 V CB 0.504 32.315 31.823 -0.020 0.000 1.001 981 V HN 0.867 nan 8.190 nan 0.000 0.476 982 E N 3.259 123.395 120.200 -0.108 0.000 2.360 982 E HA 0.326 4.677 4.350 0.000 0.000 0.269 982 E C 0.240 176.709 176.600 -0.218 0.000 1.022 982 E CA 0.001 56.300 56.400 -0.169 0.000 0.887 982 E CB 1.068 30.687 29.700 -0.134 0.000 0.990 982 E HN 0.874 nan 8.360 nan 0.000 0.426 983 T N -0.416 113.922 114.554 -0.359 0.000 2.916 983 T HA 0.323 4.673 4.350 0.000 0.000 0.292 983 T C -2.229 172.223 174.700 -0.414 0.000 1.064 983 T CA -2.047 59.774 62.100 -0.465 0.000 1.011 983 T CB 1.568 69.868 68.868 -0.947 0.000 1.152 983 T HN 0.038 nan 8.240 nan 0.000 0.510 984 P HA -0.039 nan 4.420 nan 0.000 0.221 984 P C 0.703 177.936 177.300 -0.111 0.000 1.145 984 P CA 0.973 63.997 63.100 -0.128 0.000 0.795 984 P CB -0.318 31.378 31.700 -0.006 0.000 0.775 985 Y N -4.209 116.030 120.300 -0.102 0.000 2.444 985 Y HA 0.464 5.014 4.550 0.000 0.000 0.249 985 Y C 0.469 176.199 175.900 -0.283 0.000 1.134 985 Y CA -0.872 57.111 58.100 -0.195 0.000 1.261 985 Y CB -0.462 37.867 38.460 -0.217 0.000 1.143 985 Y HN -0.162 nan 8.280 nan 0.000 0.523 986 C N 2.749 121.744 119.300 -0.508 0.000 2.446 986 C HA 0.612 5.073 4.460 0.000 0.000 0.329 986 C C -1.159 173.572 174.990 -0.431 0.000 1.166 986 C CA -0.731 57.931 59.018 -0.594 0.000 1.341 986 C CB 0.577 27.887 27.740 -0.717 0.000 1.970 986 C HN 0.447 nan 8.230 nan 0.000 0.452 987 K N 4.135 124.321 120.400 -0.357 0.000 2.427 987 K HA 0.507 4.827 4.320 0.000 0.000 0.252 987 K C -1.000 175.492 176.600 -0.180 0.000 0.931 987 K CA -0.624 55.528 56.287 -0.224 0.000 0.793 987 K CB 2.368 34.771 32.500 -0.162 0.000 1.211 987 K HN 0.486 nan 8.250 nan 0.000 0.426 988 V N 4.270 124.111 119.914 -0.122 0.000 2.508 988 V HA 0.020 4.140 4.120 0.000 0.000 0.281 988 V C 0.569 176.632 176.094 -0.052 0.000 1.041 988 V CA 0.336 62.594 62.300 -0.070 0.000 1.016 988 V CB 0.910 32.711 31.823 -0.036 0.000 0.984 988 V HN 0.685 nan 8.190 nan 0.000 0.478 989 V N 5.269 125.161 119.914 -0.036 0.000 2.490 989 V HA 0.220 4.340 4.120 0.000 0.000 0.238 989 V C 0.961 177.048 176.094 -0.012 0.000 1.056 989 V CA 1.362 63.646 62.300 -0.026 0.000 1.075 989 V CB 0.643 32.453 31.823 -0.021 0.000 0.746 989 V HN 0.828 nan 8.190 nan 0.000 0.479 990 S N -0.767 114.933 115.700 0.000 0.000 2.548 990 S HA 0.616 5.086 4.470 0.000 0.000 0.286 990 S C -1.196 173.415 174.600 0.018 0.000 1.098 990 S CA -0.526 57.678 58.200 0.007 0.000 0.930 990 S CB 1.885 65.090 63.200 0.009 0.000 1.070 990 S HN 0.472 nan 8.310 nan 0.000 0.480 991 E N 1.884 122.093 120.200 0.015 0.000 2.321 991 E HA 0.430 4.780 4.350 0.000 0.000 0.281 991 E C -1.911 174.696 176.600 0.012 0.000 0.910 991 E CA -0.530 55.883 56.400 0.021 0.000 0.770 991 E CB 1.199 30.910 29.700 0.018 0.000 1.225 991 E HN 0.794 nan 8.360 nan 0.000 0.417 992 D N 2.440 122.847 120.400 0.013 0.000 2.895 992 D HA 0.182 4.822 4.640 0.000 0.000 0.320 992 D C 0.266 176.563 176.300 -0.006 0.000 1.249 992 D CA -0.533 53.468 54.000 0.002 0.000 0.997 992 D CB 0.403 41.205 40.800 0.005 0.000 1.430 992 D HN 0.345 nan 8.370 nan 0.000 0.558 993 K N -0.551 119.841 120.400 -0.013 0.000 2.148 993 K HA 0.005 4.325 4.320 0.000 0.000 0.204 993 K C 1.553 178.139 176.600 -0.024 0.000 1.050 993 K CA 0.971 57.242 56.287 -0.026 0.000 0.942 993 K CB 0.142 32.629 32.500 -0.023 0.000 0.724 993 K HN 0.195 nan 8.250 nan 0.000 0.446 994 K N 0.426 120.824 120.400 -0.003 0.000 2.276 994 K HA 0.138 4.458 4.320 0.000 0.000 0.198 994 K C 0.628 177.249 176.600 0.035 0.000 1.052 994 K CA 0.661 56.954 56.287 0.010 0.000 0.984 994 K CB 0.528 33.037 32.500 0.014 0.000 0.836 994 K HN 0.185 nan 8.250 nan 0.000 0.490 995 Q N -0.135 119.691 119.800 0.043 0.000 2.484 995 Q HA 0.394 4.734 4.340 0.000 0.000 0.285 995 Q C -1.226 174.831 176.000 0.095 0.000 1.097 995 Q CA -0.537 55.313 55.803 0.077 0.000 0.802 995 Q CB 2.805 31.579 28.738 0.059 0.000 1.444 995 Q HN -0.155 nan 8.270 nan 0.000 0.429 996 T N 0.829 115.469 114.554 0.143 0.000 3.031 996 T HA 0.407 4.757 4.350 0.000 0.000 0.305 996 T C -0.965 173.800 174.700 0.108 0.000 0.985 996 T CA -0.631 61.556 62.100 0.145 0.000 1.008 996 T CB 1.012 70.035 68.868 0.258 0.000 1.005 996 T HN 0.439 nan 8.240 nan 0.000 0.444 997 V N 2.582 122.535 119.914 0.066 0.000 2.483 997 V HA 0.861 4.981 4.120 0.000 0.000 0.295 997 V C -0.843 175.267 176.094 0.027 0.000 1.035 997 V CA -0.903 61.425 62.300 0.047 0.000 0.896 997 V CB 1.198 33.041 31.823 0.033 0.000 0.986 997 V HN 0.775 nan 8.190 nan 0.000 0.447 998 L N 4.397 125.641 121.223 0.035 0.000 2.354 998 L HA 0.695 5.035 4.340 0.000 0.000 0.269 998 L C -0.033 176.830 176.870 -0.011 0.000 1.005 998 L CA -0.821 54.002 54.840 -0.028 0.000 0.819 998 L CB 2.190 44.217 42.059 -0.055 0.000 1.311 998 L HN 0.743 nan 8.230 nan 0.000 0.423 999 R N 1.777 122.205 120.500 -0.121 0.000 2.310 999 R HA 0.502 4.843 4.340 0.000 0.000 0.324 999 R C -1.679 174.506 176.300 -0.190 0.000 0.955 999 R CA -0.485 55.574 56.100 -0.067 0.000 0.830 999 R CB 0.830 31.092 30.300 -0.062 0.000 1.154 999 R HN 0.385 nan 8.270 nan 0.000 0.458 1000 F N 4.853 124.774 119.950 -0.048 0.000 2.410 1000 F HA 0.335 4.862 4.527 0.000 0.000 0.349 1000 F C 0.192 175.913 175.800 -0.133 0.000 1.117 1000 F CA -0.629 57.328 58.000 -0.072 0.000 1.104 1000 F CB 1.408 40.379 39.000 -0.048 0.000 1.122 1000 F HN 0.278 nan 8.300 nan 0.000 0.483 1001 L N 4.695 125.878 121.223 -0.066 0.000 2.288 1001 L HA 0.331 4.672 4.340 0.000 0.000 0.283 1001 L C -0.807 175.873 176.870 -0.318 0.000 1.072 1001 L CA -0.278 54.482 54.840 -0.133 0.000 0.862 1001 L CB 0.022 42.018 42.059 -0.104 0.000 1.245 1001 L HN 0.646 nan 8.230 nan 0.000 0.432 1002 C N 3.061 122.247 119.300 -0.190 0.000 2.365 1002 C HA 0.626 5.086 4.460 0.000 0.000 0.351 1002 C C 0.446 175.441 174.990 0.009 0.000 1.240 1002 C CA -0.828 58.111 59.018 -0.131 0.000 2.062 1002 C CB 1.107 28.855 27.740 0.013 0.000 2.387 1002 C HN 0.706 nan 8.230 nan 0.000 0.537 1003 K N 0.657 121.164 120.400 0.178 0.000 2.533 1003 K HA 0.262 4.582 4.320 0.000 0.000 0.272 1003 K C -0.628 176.012 176.600 0.067 0.000 0.985 1003 K CA -0.525 55.820 56.287 0.097 0.000 0.876 1003 K CB 1.576 34.142 32.500 0.111 0.000 1.452 1003 K HN 0.771 nan 8.250 nan 0.000 0.439 1004 D N 0.077 120.452 120.400 -0.042 0.000 3.070 1004 D HA -0.203 4.437 4.640 0.000 0.000 0.220 1004 D C 0.579 176.716 176.300 -0.272 0.000 1.176 1004 D CA 1.671 55.591 54.000 -0.134 0.000 0.924 1004 D CB -1.073 39.804 40.800 0.128 0.000 1.124 1004 D HN 1.049 nan 8.370 nan 0.000 0.411 1005 G N -0.180 108.495 108.800 -0.210 0.000 2.203 1005 G HA2 -0.141 3.819 3.960 0.000 0.000 0.263 1005 G HA3 -0.141 3.819 3.960 0.000 0.000 0.263 1005 G C 0.511 175.311 174.900 -0.168 0.000 1.012 1005 G CA 1.159 46.134 45.100 -0.208 0.000 0.749 1005 G HN 1.109 nan 8.290 nan 0.000 0.512 1006 A N -0.462 122.265 122.820 -0.156 0.000 2.313 1006 A HA 0.773 5.093 4.320 0.000 0.000 0.261 1006 A C 0.785 178.156 177.584 -0.354 0.000 1.090 1006 A CA 0.616 52.482 52.037 -0.285 0.000 0.807 1006 A CB 0.659 19.401 19.000 -0.431 0.000 1.055 1006 A HN 1.016 nan 8.150 nan 0.000 0.492 1007 S N 0.149 115.606 115.700 -0.406 0.000 2.438 1007 S HA 0.509 4.979 4.470 0.000 0.000 0.293 1007 S C -1.332 172.988 174.600 -0.466 0.000 1.141 1007 S CA 0.029 58.043 58.200 -0.309 0.000 1.080 1007 S CB 0.092 63.182 63.200 -0.184 0.000 0.978 1007 S HN 0.432 nan 8.310 nan 0.000 0.479 1008 Y N 2.242 122.456 120.300 -0.145 0.000 2.331 1008 Y HA 0.426 4.976 4.550 0.000 0.000 0.338 1008 Y C 0.662 176.586 175.900 0.039 0.000 0.992 1008 Y CA -0.876 57.148 58.100 -0.127 0.000 1.121 1008 Y CB 1.097 39.533 38.460 -0.041 0.000 1.184 1008 Y HN 0.628 nan 8.280 nan 0.000 0.469 1009 E N 1.906 122.258 120.200 0.252 0.000 2.317 1009 E HA 0.790 5.140 4.350 0.000 0.000 0.270 1009 E C -1.612 175.202 176.600 0.357 0.000 0.885 1009 E CA -1.298 55.257 56.400 0.258 0.000 0.760 1009 E CB 2.514 32.278 29.700 0.107 0.000 1.227 1009 E HN 0.346 nan 8.360 nan 0.000 0.434 1010 V N -1.131 118.965 119.914 0.302 0.000 2.962 1010 V HA 0.586 4.706 4.120 0.000 0.000 0.313 1010 V C -0.682 175.486 176.094 0.124 0.000 1.099 1010 V CA -1.167 61.264 62.300 0.218 0.000 0.971 1010 V CB 1.690 33.631 31.823 0.198 0.000 1.028 1010 V HN 0.806 nan 8.190 nan 0.000 0.430 1011 E N 1.773 122.027 120.200 0.090 0.000 2.200 1011 E HA 0.654 5.004 4.350 0.000 0.000 0.283 1011 E C -1.307 175.330 176.600 0.062 0.000 1.015 1011 E CA -0.271 56.168 56.400 0.065 0.000 0.819 1011 E CB 1.384 31.122 29.700 0.065 0.000 1.081 1011 E HN 0.680 nan 8.360 nan 0.000 0.397 1012 L N 3.587 124.836 121.223 0.043 0.000 2.325 1012 L HA 0.504 4.844 4.340 0.000 0.000 0.278 1012 L C -0.384 176.618 176.870 0.221 0.000 1.023 1012 L CA -0.241 54.647 54.840 0.078 0.000 0.811 1012 L CB 1.765 43.725 42.059 -0.165 0.000 1.249 1012 L HN 0.568 nan 8.230 nan 0.000 0.431 1013 E N 2.537 122.952 120.200 0.358 0.000 2.275 1013 E HA 0.297 4.647 4.350 0.000 0.000 0.270 1013 E C -1.037 175.769 176.600 0.343 0.000 0.882 1013 E CA -0.724 55.882 56.400 0.344 0.000 0.758 1013 E CB 1.776 31.579 29.700 0.171 0.000 1.195 1013 E HN 0.470 nan 8.360 nan 0.000 0.419 1014 K N 0.000 120.494 120.400 0.157 0.000 2.780 1014 K HA 0.000 4.320 4.320 0.000 0.000 0.191 1014 K CA 0.000 56.101 56.287 -0.310 0.000 0.838 1014 K CB 0.000 32.203 32.500 -0.496 0.000 1.064 1014 K HN 0.000 nan 8.250 nan 0.000 0.543