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 2r6f_1_B DATA FIRST_RESID 2 DATA SEQUENCE DKIIVKGARA HNLKNIDVEI PRGKLVVLTG LSGSGKSSLA FDTIYAEGQR DATA SEQUENCE RYVESLSAYA RQFLGQXEKP DVDAIEGLSP AISIDQKTTS RNPRSTVGTV DATA SEQUENCE TEIYDYLRLL FARIGRPICP THGIEIQSQT IEQXVDRLLS YPERTKXQIL DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXDRIIIKD GIAARLADSL ETALKLADXX XXXXXXXXXX XXXXXKHACP DATA SEQUENCE YCGFSIGELE PRLFSFNSPF GACPDCDGLG AKLEVDLDLV IPNDELTLKE DATA SEQUENCE HAIAPWEPQS SQYYPQLLEA VCRHYGIPXD VPVKDLPKEQ LDKILYGSGG DATA SEQUENCE EPIYFRYTND FGQVREQYIA FEGVIPNVER RYRETSSDYI REQXEKYXAE DATA SEQUENCE QPCPTCQGYR LKKESLAVLV GGKHIGEVTA XSVTEALAFF DGLELTEKEA DATA SEQUENCE QIARLILREI RDRLGFLQNV GLDYLTLSRS AGTLSGGEAQ RIRLATQIGS DATA SEQUENCE RLTGVLYVLD EPSIGLHQRD NDRLIATLKS XRDLGNTLIV VEHDEDTXLA DATA SEQUENCE ADYLIDIGPG AGIHGGEVVA AGTPEEVXND PNSLTGQYLS GKKFIPIPAE DATA SEQUENCE RRRPDGRWLE VVGAREHNLK NVSVKIPLGT FVAVTGVSGS GKSTLVNEVL DATA SEQUENCE YKALAQKLHR AKAKPGEHRD IRGLEHLDKV IDIDQSPIGR TPRSNPATYT DATA SEQUENCE GVFDDIRDVF ASTNEAKVRG YKKGRFSFNV KGGRCEACHG DGIIKIEXHF DATA SEQUENCE LPDVYVPCEV CHGKRYNRET LEVTYKGKNI AEVLDXTVED ALDFFASIPK DATA SEQUENCE IKRKLETLYD VGLGYXKLGQ PATTLSGGEA QRVKLAAELH RRSNGRTLYI DATA SEQUENCE LDEPTTGLHV DDIARLLDVL HRLVDNGDTV LVIEHNLDVI KTADYIIDLG DATA SEQUENCE PEGGDRGGQI VAVGTPEEVA EVKESHTGRY LKPILERDRA RXQARYEA 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 2 D HA 0.000 nan 4.640 nan 0.000 0.175 2 D C 0.000 176.268 176.300 -0.053 0.000 2.045 2 D CA 0.000 53.978 54.000 -0.037 0.000 0.868 2 D CB 0.000 40.781 40.800 -0.031 0.000 0.688 3 K N 0.086 120.453 120.400 -0.055 0.000 2.572 3 K HA 0.450 4.770 4.320 0.001 0.000 0.263 3 K C -1.408 175.154 176.600 -0.063 0.000 0.932 3 K CA -1.046 55.196 56.287 -0.075 0.000 0.838 3 K CB 1.896 34.342 32.500 -0.090 0.000 1.366 3 K HN 0.058 nan 8.250 nan 0.000 0.425 4 I N 4.420 124.947 120.570 -0.072 0.000 2.287 4 I HA 0.305 4.475 4.170 0.001 0.000 0.290 4 I C -0.947 175.138 176.117 -0.055 0.000 1.069 4 I CA -0.917 60.348 61.300 -0.058 0.000 1.237 4 I CB 0.203 38.168 38.000 -0.058 0.000 1.418 4 I HN 0.574 nan 8.210 nan 0.000 0.481 5 I N 7.819 128.364 120.570 -0.042 0.000 2.342 5 I HA 0.185 4.355 4.170 0.001 0.000 0.291 5 I C -0.114 175.988 176.117 -0.025 0.000 1.010 5 I CA -0.548 60.732 61.300 -0.033 0.000 1.308 5 I CB 1.657 39.642 38.000 -0.025 0.000 1.400 5 I HN 0.352 nan 8.210 nan 0.000 0.488 6 V N 7.897 127.799 119.914 -0.020 0.000 2.277 6 V HA 0.307 4.427 4.120 0.001 0.000 0.269 6 V C -0.098 175.991 176.094 -0.009 0.000 1.036 6 V CA -0.546 61.745 62.300 -0.015 0.000 0.821 6 V CB 0.573 32.387 31.823 -0.014 0.000 1.052 6 V HN 0.554 nan 8.190 nan 0.000 0.462 7 K N 4.902 125.296 120.400 -0.009 0.000 2.258 7 K HA 0.449 4.770 4.320 0.001 0.000 0.284 7 K C 0.692 177.289 176.600 -0.005 0.000 1.051 7 K CA 0.394 56.678 56.287 -0.006 0.000 0.923 7 K CB 1.182 33.678 32.500 -0.006 0.000 1.046 7 K HN 1.252 nan 8.250 nan 0.000 0.474 8 G N 2.039 110.838 108.800 -0.002 0.000 2.392 8 G HA2 -0.175 3.786 3.960 0.001 0.000 0.256 8 G HA3 -0.175 3.786 3.960 0.001 0.000 0.256 8 G C -0.211 174.687 174.900 -0.003 0.000 0.920 8 G CA 0.153 45.252 45.100 -0.001 0.000 1.316 8 G HN 0.728 nan 8.290 nan 0.000 0.416 9 A N 2.675 125.494 122.820 -0.001 0.000 2.271 9 A HA 0.841 5.162 4.320 0.001 0.000 0.317 9 A C 0.867 178.451 177.584 -0.002 0.000 1.245 9 A CA -0.670 51.365 52.037 -0.003 0.000 0.857 9 A CB 0.854 19.854 19.000 0.000 0.000 1.175 9 A HN 0.709 nan 8.150 nan 0.000 0.512 10 R N 2.573 123.068 120.500 -0.010 0.000 2.659 10 R HA 0.303 4.644 4.340 0.001 0.000 0.418 10 R C 1.412 177.696 176.300 -0.027 0.000 1.076 10 R CA 0.382 56.478 56.100 -0.007 0.000 1.093 10 R CB 0.580 30.878 30.300 -0.003 0.000 1.400 10 R HN 0.839 nan 8.270 nan 0.000 0.583 11 A N 1.167 123.956 122.820 -0.053 0.000 2.371 11 A HA -0.314 4.007 4.320 0.001 0.000 0.222 11 A C 1.251 178.700 177.584 -0.225 0.000 1.456 11 A CA 2.097 54.041 52.037 -0.155 0.000 0.945 11 A CB -0.535 18.393 19.000 -0.119 0.000 0.769 11 A HN 0.535 nan 8.150 nan 0.000 0.531 12 H N -1.938 117.157 119.070 0.043 0.000 2.329 12 H HA 0.096 4.652 4.556 0.001 0.000 0.285 12 H C 1.513 176.865 175.328 0.039 0.000 1.062 12 H CA 0.394 56.468 56.048 0.044 0.000 1.511 12 H CB 0.064 29.857 29.762 0.051 0.000 1.471 12 H HN 0.670 nan 8.280 nan 0.000 0.613 13 N N 1.323 120.134 118.700 0.186 0.000 2.203 13 N HA 0.047 4.788 4.740 0.001 0.000 0.207 13 N C -0.547 175.005 175.510 0.070 0.000 1.130 13 N CA -0.043 53.071 53.050 0.107 0.000 0.861 13 N CB 0.001 38.544 38.487 0.094 0.000 1.005 13 N HN 0.213 nan 8.380 nan 0.000 0.507 14 L N 1.095 122.355 121.223 0.063 0.000 2.455 14 L HA 0.139 4.479 4.340 0.001 0.000 0.272 14 L C 0.615 177.502 176.870 0.029 0.000 1.174 14 L CA -0.015 54.848 54.840 0.039 0.000 0.869 14 L CB 0.496 42.572 42.059 0.028 0.000 1.130 14 L HN -0.116 nan 8.230 nan 0.000 0.474 15 K N 4.066 124.480 120.400 0.023 0.000 2.518 15 K HA 0.038 4.359 4.320 0.001 0.000 0.244 15 K C 0.190 176.798 176.600 0.013 0.000 1.232 15 K CA -0.306 55.992 56.287 0.017 0.000 1.189 15 K CB -0.426 32.082 32.500 0.015 0.000 1.737 15 K HN 0.512 nan 8.250 nan 0.000 0.333 16 N N 1.921 120.628 118.700 0.011 0.000 2.689 16 N HA -0.209 4.532 4.740 0.001 0.000 0.263 16 N C -0.366 175.149 175.510 0.008 0.000 0.987 16 N CA 0.488 53.542 53.050 0.008 0.000 0.782 16 N CB -1.031 37.460 38.487 0.007 0.000 0.903 16 N HN 0.640 nan 8.380 nan 0.000 0.547 17 I N -2.301 118.275 120.570 0.010 0.000 2.566 17 I HA 0.561 4.731 4.170 0.001 0.000 0.303 17 I C -0.272 175.851 176.117 0.010 0.000 0.983 17 I CA -0.750 60.557 61.300 0.012 0.000 1.235 17 I CB 1.422 39.431 38.000 0.016 0.000 1.386 17 I HN -0.161 nan 8.210 nan 0.000 0.494 18 D N 4.321 124.728 120.400 0.011 0.000 2.248 18 D HA 0.648 5.288 4.640 0.001 0.000 0.246 18 D C -0.781 175.528 176.300 0.015 0.000 1.027 18 D CA -0.234 53.772 54.000 0.009 0.000 0.853 18 D CB 2.692 43.497 40.800 0.008 0.000 1.243 18 D HN 0.534 nan 8.370 nan 0.000 0.462 19 V N 0.289 120.210 119.914 0.011 0.000 2.932 19 V HA 0.439 4.560 4.120 0.001 0.000 0.307 19 V C -1.544 174.550 176.094 0.001 0.000 1.147 19 V CA -0.630 61.681 62.300 0.019 0.000 0.951 19 V CB 2.276 34.115 31.823 0.027 0.000 1.031 19 V HN 0.460 nan 8.190 nan 0.000 0.426 20 E N 5.379 125.579 120.200 0.001 0.000 2.179 20 E HA 0.621 4.972 4.350 0.001 0.000 0.275 20 E C -1.084 175.443 176.600 -0.121 0.000 0.945 20 E CA -0.573 55.797 56.400 -0.051 0.000 0.792 20 E CB 2.473 32.147 29.700 -0.044 0.000 1.125 20 E HN 0.657 nan 8.360 nan 0.000 0.397 21 I N 4.464 124.935 120.570 -0.164 0.000 2.410 21 I HA 0.252 4.422 4.170 0.001 0.000 0.286 21 I C -2.278 173.669 176.117 -0.282 0.000 1.009 21 I CA -2.557 58.603 61.300 -0.234 0.000 1.111 21 I CB 1.929 39.855 38.000 -0.123 0.000 1.262 21 I HN 0.223 nan 8.210 nan 0.000 0.443 22 P HA 0.106 nan 4.420 nan 0.000 0.270 22 P C -0.443 176.757 177.300 -0.166 0.000 1.242 22 P CA -0.366 62.547 63.100 -0.312 0.000 0.768 22 P CB 0.631 32.094 31.700 -0.395 0.000 0.820 23 R N 3.572 124.002 120.500 -0.116 0.000 2.734 23 R HA 0.310 4.650 4.340 0.001 0.000 0.266 23 R C 1.631 177.900 176.300 -0.052 0.000 1.044 23 R CA 1.510 57.566 56.100 -0.074 0.000 1.128 23 R CB -0.927 29.337 30.300 -0.060 0.000 1.010 23 R HN 0.771 nan 8.270 nan 0.000 0.461 24 G N 1.725 110.504 108.800 -0.034 0.000 2.212 24 G HA2 -0.330 3.631 3.960 0.001 0.000 0.267 24 G HA3 -0.330 3.631 3.960 0.001 0.000 0.267 24 G C -0.243 174.652 174.900 -0.008 0.000 1.002 24 G CA 1.123 46.213 45.100 -0.016 0.000 0.729 24 G HN 0.516 nan 8.290 nan 0.000 0.517 25 K N -1.201 119.191 120.400 -0.013 0.000 2.346 25 K HA 0.649 4.969 4.320 0.001 0.000 0.238 25 K C -0.370 176.237 176.600 0.013 0.000 1.039 25 K CA -1.125 55.164 56.287 0.003 0.000 0.861 25 K CB 1.805 34.307 32.500 0.003 0.000 1.278 25 K HN 0.048 nan 8.250 nan 0.000 0.460 26 L N 2.795 124.036 121.223 0.029 0.000 2.268 26 L HA 0.246 4.586 4.340 0.001 0.000 0.289 26 L C -1.066 175.840 176.870 0.059 0.000 1.064 26 L CA -0.622 54.237 54.840 0.033 0.000 0.824 26 L CB 0.668 42.743 42.059 0.028 0.000 1.202 26 L HN 0.245 nan 8.230 nan 0.000 0.433 27 V N 5.428 125.372 119.914 0.051 0.000 2.532 27 V HA 0.429 4.549 4.120 0.001 0.000 0.295 27 V C -0.082 176.046 176.094 0.056 0.000 1.041 27 V CA -0.579 61.775 62.300 0.091 0.000 0.926 27 V CB 1.983 33.842 31.823 0.059 0.000 0.992 27 V HN 0.433 nan 8.190 nan 0.000 0.457 28 V N 5.663 125.616 119.914 0.066 0.000 2.482 28 V HA 0.410 4.530 4.120 0.001 0.000 0.295 28 V C -0.284 175.817 176.094 0.013 0.000 1.026 28 V CA -0.412 61.900 62.300 0.020 0.000 0.856 28 V CB 1.674 33.501 31.823 0.006 0.000 1.001 28 V HN 0.644 nan 8.190 nan 0.000 0.424 29 L N 3.964 125.183 121.223 -0.008 0.000 2.350 29 L HA 0.703 5.043 4.340 0.001 0.000 0.275 29 L C 0.392 177.235 176.870 -0.044 0.000 1.099 29 L CA 0.438 55.271 54.840 -0.011 0.000 0.808 29 L CB 1.724 43.776 42.059 -0.012 0.000 1.149 29 L HN 0.769 nan 8.230 nan 0.000 0.442 30 T N 1.401 115.945 114.554 -0.017 0.000 2.821 30 T HA 0.825 5.175 4.350 0.001 0.000 0.306 30 T C -0.731 173.995 174.700 0.044 0.000 1.313 30 T CA 0.103 62.205 62.100 0.002 0.000 1.012 30 T CB 1.920 70.816 68.868 0.047 0.000 1.298 30 T HN 0.962 nan 8.240 nan 0.000 0.502 31 G N 1.175 110.042 108.800 0.112 0.000 2.352 31 G HA2 0.325 4.285 3.960 0.001 0.000 0.302 31 G HA3 0.325 4.285 3.960 0.001 0.000 0.302 31 G C -1.515 173.315 174.900 -0.117 0.000 1.370 31 G CA -0.820 44.239 45.100 -0.067 0.000 0.918 31 G HN 0.867 nan 8.290 nan 0.000 0.610 32 L N 0.514 121.555 121.223 -0.304 0.000 2.492 32 L HA 0.349 4.689 4.340 0.001 0.000 0.280 32 L C 1.554 178.357 176.870 -0.111 0.000 1.240 32 L CA 0.032 54.736 54.840 -0.227 0.000 0.831 32 L CB 0.872 42.796 42.059 -0.224 0.000 1.100 32 L HN 0.604 nan 8.230 nan 0.000 0.505 33 S N 0.933 116.568 115.700 -0.109 0.000 2.457 33 S HA 0.356 4.827 4.470 0.001 0.000 0.294 33 S C 0.776 175.062 174.600 -0.523 0.000 1.201 33 S CA 0.424 58.525 58.200 -0.166 0.000 1.112 33 S CB -0.510 62.644 63.200 -0.076 0.000 1.018 33 S HN 0.933 nan 8.310 nan 0.000 0.511 34 G N 3.183 111.635 108.800 -0.580 0.000 2.192 34 G HA2 -0.269 3.692 3.960 0.001 0.000 0.193 34 G HA3 -0.269 3.692 3.960 0.001 0.000 0.193 34 G C 1.033 175.703 174.900 -0.383 0.000 0.999 34 G CA 0.513 45.070 45.100 -0.905 0.000 0.659 34 G HN 1.299 nan 8.290 nan 0.000 0.503 35 S N -0.046 115.521 115.700 -0.222 0.000 2.419 35 S HA 0.350 4.821 4.470 0.001 0.000 0.233 35 S C 2.045 176.618 174.600 -0.045 0.000 1.016 35 S CA 1.790 59.928 58.200 -0.103 0.000 0.974 35 S CB -0.029 63.123 63.200 -0.079 0.000 0.786 35 S HN 2.394 nan 8.310 nan 0.000 0.492 36 G N 0.881 109.660 108.800 -0.035 0.000 2.189 36 G HA2 -0.136 3.825 3.960 0.001 0.000 0.113 36 G HA3 -0.136 3.825 3.960 0.001 0.000 0.113 36 G C 0.421 175.353 174.900 0.053 0.000 1.038 36 G CA 0.069 45.186 45.100 0.029 0.000 0.704 36 G HN 0.469 nan 8.290 nan 0.000 0.490 37 K N 0.458 120.887 120.400 0.049 0.000 1.984 37 K HA 0.003 4.323 4.320 0.001 0.000 0.209 37 K C 2.600 179.275 176.600 0.126 0.000 1.046 37 K CA 1.650 57.977 56.287 0.066 0.000 0.934 37 K CB -0.312 32.222 32.500 0.056 0.000 0.717 37 K HN 0.245 nan 8.250 nan 0.000 0.438 38 S N 1.418 117.229 115.700 0.185 0.000 2.383 38 S HA -0.152 4.318 4.470 0.001 0.000 0.229 38 S C 2.167 176.936 174.600 0.282 0.000 1.030 38 S CA 1.585 59.980 58.200 0.324 0.000 1.002 38 S CB -0.325 63.013 63.200 0.231 0.000 0.829 38 S HN 0.216 nan 8.310 nan 0.000 0.467 39 S N 1.549 117.375 115.700 0.210 0.000 2.374 39 S HA -0.060 4.410 4.470 0.001 0.000 0.227 39 S C 1.738 176.409 174.600 0.117 0.000 1.037 39 S CA 1.120 59.434 58.200 0.191 0.000 1.024 39 S CB -0.420 62.900 63.200 0.200 0.000 0.861 39 S HN 0.416 nan 8.310 nan 0.000 0.456 40 L N 0.783 122.061 121.223 0.092 0.000 2.022 40 L HA 0.014 4.355 4.340 0.001 0.000 0.204 40 L C 2.624 179.513 176.870 0.031 0.000 1.076 40 L CA 1.253 56.122 54.840 0.048 0.000 0.749 40 L CB -0.802 41.275 42.059 0.031 0.000 0.903 40 L HN 0.347 nan 8.230 nan 0.000 0.439 41 A N -0.220 122.604 122.820 0.006 0.000 1.892 41 A HA -0.253 4.067 4.320 0.001 0.000 0.218 41 A C 1.808 179.244 177.584 -0.247 0.000 1.188 41 A CA 2.174 54.118 52.037 -0.154 0.000 0.631 41 A CB -0.773 18.087 19.000 -0.234 0.000 0.822 41 A HN 0.503 nan 8.150 nan 0.000 0.447 42 F N -0.811 119.199 119.950 0.100 0.000 2.399 42 F HA 0.114 4.641 4.527 0.001 0.000 0.282 42 F C 1.863 177.777 175.800 0.189 0.000 1.027 42 F CA 0.789 58.889 58.000 0.167 0.000 1.333 42 F CB -0.361 38.709 39.000 0.117 0.000 1.132 42 F HN 0.098 nan 8.300 nan 0.000 0.590 43 D N -0.645 119.950 120.400 0.324 0.000 2.264 43 D HA -0.078 4.563 4.640 0.001 0.000 0.208 43 D C 1.855 178.212 176.300 0.095 0.000 0.966 43 D CA 1.496 55.610 54.000 0.191 0.000 0.864 43 D CB -0.326 40.553 40.800 0.131 0.000 0.933 43 D HN 0.203 nan 8.370 nan 0.000 0.499 44 T N -0.553 114.048 114.554 0.079 0.000 3.156 44 T HA 0.216 4.566 4.350 0.001 0.000 0.236 44 T C 2.088 176.800 174.700 0.020 0.000 0.978 44 T CA -0.087 62.030 62.100 0.028 0.000 1.240 44 T CB 0.156 69.030 68.868 0.011 0.000 0.951 44 T HN -0.010 nan 8.240 nan 0.000 0.420 45 I N 0.309 120.892 120.570 0.021 0.000 2.162 45 I HA -0.086 4.084 4.170 0.001 0.000 0.238 45 I C 2.335 178.467 176.117 0.025 0.000 1.076 45 I CA 1.489 62.789 61.300 0.001 0.000 1.353 45 I CB -0.403 37.579 38.000 -0.030 0.000 1.063 45 I HN 0.253 nan 8.210 nan 0.000 0.408 46 Y N 1.978 122.244 120.300 -0.057 0.000 2.181 46 Y HA -0.295 4.256 4.550 0.001 0.000 0.288 46 Y C 2.571 178.492 175.900 0.035 0.000 1.146 46 Y CA 1.610 59.699 58.100 -0.018 0.000 1.164 46 Y CB -0.205 38.271 38.460 0.027 0.000 0.982 46 Y HN 0.121 nan 8.280 nan 0.000 0.515 47 A N 0.570 123.300 122.820 -0.150 0.000 1.883 47 A HA -0.218 4.103 4.320 0.001 0.000 0.217 47 A C 2.135 179.609 177.584 -0.182 0.000 1.186 47 A CA 2.022 53.934 52.037 -0.210 0.000 0.624 47 A CB -0.700 18.285 19.000 -0.026 0.000 0.822 47 A HN 0.571 nan 8.150 nan 0.000 0.444 48 E N -0.684 119.454 120.200 -0.103 0.000 2.047 48 E HA -0.112 4.239 4.350 0.001 0.000 0.191 48 E C 2.288 178.840 176.600 -0.080 0.000 0.987 48 E CA 1.106 57.462 56.400 -0.072 0.000 0.799 48 E CB -0.732 28.943 29.700 -0.042 0.000 0.752 48 E HN 0.564 nan 8.360 nan 0.000 0.449 49 G N 1.265 110.009 108.800 -0.094 0.000 2.440 49 G HA2 -0.335 3.625 3.960 0.001 0.000 0.218 49 G HA3 -0.335 3.625 3.960 0.001 0.000 0.218 49 G C 1.526 176.377 174.900 -0.082 0.000 1.154 49 G CA 0.993 46.049 45.100 -0.074 0.000 0.767 49 G HN 0.259 nan 8.290 nan 0.000 0.552 50 Q N -0.191 119.488 119.800 -0.201 0.000 2.049 50 Q HA -0.043 4.298 4.340 0.001 0.000 0.198 50 Q C 2.655 178.626 176.000 -0.048 0.000 0.971 50 Q CA 0.984 56.687 55.803 -0.167 0.000 0.833 50 Q CB -0.175 28.309 28.738 -0.424 0.000 0.896 50 Q HN 0.468 nan 8.270 nan 0.000 0.434 51 R N 0.172 120.621 120.500 -0.085 0.000 2.080 51 R HA -0.138 4.202 4.340 0.001 0.000 0.236 51 R C 2.350 178.649 176.300 -0.001 0.000 1.137 51 R CA 1.683 57.765 56.100 -0.030 0.000 0.943 51 R CB -0.102 30.177 30.300 -0.036 0.000 0.846 51 R HN 0.218 nan 8.270 nan 0.000 0.431 52 R N -1.018 119.481 120.500 -0.001 0.000 2.139 52 R HA -0.230 4.110 4.340 0.001 0.000 0.243 52 R C 2.122 178.446 176.300 0.040 0.000 1.145 52 R CA 1.937 58.044 56.100 0.011 0.000 0.976 52 R CB -0.406 29.899 30.300 0.009 0.000 0.866 52 R HN 0.408 nan 8.270 nan 0.000 0.449 53 Y N 0.654 120.925 120.300 -0.048 0.000 2.138 53 Y HA -0.172 4.378 4.550 0.000 0.000 0.286 53 Y C 2.261 178.144 175.900 -0.028 0.000 1.115 53 Y CA 1.228 59.304 58.100 -0.039 0.000 1.105 53 Y CB -0.351 38.081 38.460 -0.046 0.000 1.004 53 Y HN -0.280 nan 8.280 nan 0.000 0.494 54 V N 1.288 121.212 119.914 0.017 0.000 2.317 54 V HA -0.396 3.724 4.120 0.001 0.000 0.251 54 V C 2.298 178.326 176.094 -0.110 0.000 1.065 54 V CA 2.427 64.693 62.300 -0.058 0.000 1.049 54 V CB -0.857 30.999 31.823 0.054 0.000 0.651 54 V HN 0.554 nan 8.190 nan 0.000 0.450 55 E N -0.001 120.160 120.200 -0.065 0.000 2.171 55 E HA -0.226 4.125 4.350 0.001 0.000 0.197 55 E C 1.935 178.482 176.600 -0.089 0.000 0.997 55 E CA 1.590 57.959 56.400 -0.051 0.000 0.810 55 E CB -0.082 29.599 29.700 -0.032 0.000 0.738 55 E HN 0.638 nan 8.360 nan 0.000 0.467 56 S N -0.083 115.519 115.700 -0.163 0.000 2.575 56 S HA 0.136 4.606 4.470 0.001 0.000 0.215 56 S C 1.449 175.916 174.600 -0.221 0.000 0.966 56 S CA -0.175 57.918 58.200 -0.177 0.000 0.911 56 S CB 0.176 63.263 63.200 -0.188 0.000 0.780 56 S HN 0.259 nan 8.310 nan 0.000 0.514 57 L N 1.512 122.589 121.223 -0.244 0.000 2.395 57 L HA 0.097 4.437 4.340 0.001 0.000 0.218 57 L C 0.957 177.771 176.870 -0.093 0.000 1.130 57 L CA 0.329 55.047 54.840 -0.204 0.000 0.826 57 L CB -0.118 41.823 42.059 -0.196 0.000 0.941 57 L HN 0.363 nan 8.230 nan 0.000 0.451 58 S N -3.485 112.185 115.700 -0.050 0.000 2.636 58 S HA 0.506 4.976 4.470 0.001 0.000 0.266 58 S C 0.073 174.687 174.600 0.024 0.000 1.147 58 S CA -0.300 57.902 58.200 0.003 0.000 0.815 58 S CB 1.431 64.662 63.200 0.050 0.000 1.119 58 S HN -0.105 nan 8.310 nan 0.000 0.470 59 A N -0.097 122.752 122.820 0.049 0.000 2.072 59 A HA 0.183 4.504 4.320 0.001 0.000 0.216 59 A C 1.587 179.218 177.584 0.079 0.000 1.156 59 A CA 1.031 53.096 52.037 0.047 0.000 0.701 59 A CB -0.979 18.047 19.000 0.043 0.000 0.816 59 A HN 0.965 nan 8.150 nan 0.000 0.458 60 Y N 0.473 120.783 120.300 0.017 0.000 2.153 60 Y HA 0.042 4.593 4.550 0.001 0.000 0.289 60 Y C 2.624 178.569 175.900 0.076 0.000 1.127 60 Y CA 1.332 59.459 58.100 0.045 0.000 1.131 60 Y CB -0.443 38.037 38.460 0.034 0.000 0.995 60 Y HN 0.280 nan 8.280 nan 0.000 0.505 61 A N 0.643 123.554 122.820 0.151 0.000 1.948 61 A HA -0.289 4.032 4.320 0.001 0.000 0.220 61 A C 2.279 179.871 177.584 0.014 0.000 1.177 61 A CA 2.139 54.224 52.037 0.081 0.000 0.636 61 A CB -0.866 18.185 19.000 0.085 0.000 0.815 61 A HN 0.584 nan 8.150 nan 0.000 0.449 62 R N -0.809 119.685 120.500 -0.012 0.000 2.075 62 R HA -0.145 4.195 4.340 0.001 0.000 0.232 62 R C 2.450 178.723 176.300 -0.045 0.000 1.126 62 R CA 1.668 57.755 56.100 -0.023 0.000 0.963 62 R CB -0.290 29.995 30.300 -0.025 0.000 0.858 62 R HN 0.738 nan 8.270 nan 0.000 0.435 63 Q N -0.756 118.988 119.800 -0.095 0.000 2.079 63 Q HA -0.193 4.148 4.340 0.001 0.000 0.200 63 Q C 1.697 177.609 176.000 -0.146 0.000 0.974 63 Q CA 1.550 57.275 55.803 -0.130 0.000 0.840 63 Q CB -0.097 28.539 28.738 -0.171 0.000 0.898 63 Q HN 0.340 nan 8.270 nan 0.000 0.430 64 F N 0.752 120.501 119.950 -0.334 0.000 2.039 64 F HA -0.128 4.400 4.527 0.001 0.000 0.294 64 F C 1.769 177.494 175.800 -0.124 0.000 1.130 64 F CA 1.349 59.197 58.000 -0.254 0.000 1.189 64 F CB -0.196 38.636 39.000 -0.281 0.000 0.983 64 F HN 0.020 nan 8.300 nan 0.000 0.471 65 L N -0.125 121.238 121.223 0.233 0.000 2.456 65 L HA -0.073 4.267 4.340 0.001 0.000 0.224 65 L C 2.496 179.379 176.870 0.021 0.000 1.148 65 L CA 0.768 55.693 54.840 0.142 0.000 0.825 65 L CB -1.231 40.903 42.059 0.124 0.000 0.937 65 L HN 0.373 nan 8.230 nan 0.000 0.450 66 G N -0.987 107.800 108.800 -0.022 0.000 2.394 66 G HA2 -0.163 3.797 3.960 0.001 0.000 0.214 66 G HA3 -0.163 3.797 3.960 0.001 0.000 0.214 66 G C 0.905 175.768 174.900 -0.062 0.000 1.176 66 G CA -0.080 44.995 45.100 -0.042 0.000 0.786 66 G HN 0.292 nan 8.290 nan 0.000 0.533 70 K N 3.434 123.833 120.400 -0.001 0.000 2.109 70 K HA 0.654 4.975 4.320 0.001 0.000 0.243 70 K C -2.185 174.410 176.600 -0.008 0.000 1.006 70 K CA -1.896 54.388 56.287 -0.005 0.000 0.917 70 K CB 0.399 32.892 32.500 -0.011 0.000 1.081 70 K HN 0.282 nan 8.250 nan 0.000 0.468 71 P HA 0.051 nan 4.420 nan 0.000 0.280 71 P C -1.106 176.178 177.300 -0.027 0.000 1.244 71 P CA -0.357 62.729 63.100 -0.024 0.000 0.784 71 P CB 0.446 32.134 31.700 -0.020 0.000 0.913 72 D N 2.727 123.105 120.400 -0.038 0.000 2.385 72 D HA 0.192 4.832 4.640 0.001 0.000 0.260 72 D C -0.928 175.357 176.300 -0.025 0.000 1.326 72 D CA 0.487 54.469 54.000 -0.029 0.000 1.023 72 D CB -0.356 40.425 40.800 -0.033 0.000 1.083 72 D HN -0.059 nan 8.370 nan 0.000 0.517 73 V N 3.939 123.842 119.914 -0.018 0.000 2.891 73 V HA 0.106 4.227 4.120 0.001 0.000 0.304 73 V C 0.615 176.702 176.094 -0.011 0.000 1.171 73 V CA -0.869 61.423 62.300 -0.014 0.000 0.943 73 V CB 2.192 34.006 31.823 -0.015 0.000 1.037 73 V HN 0.280 nan 8.190 nan 0.000 0.427 74 D N 2.112 122.507 120.400 -0.009 0.000 2.084 74 D HA 0.190 4.830 4.640 0.001 0.000 0.196 74 D C 0.597 176.892 176.300 -0.009 0.000 0.985 74 D CA 2.036 56.031 54.000 -0.008 0.000 0.826 74 D CB 0.408 41.204 40.800 -0.006 0.000 0.978 74 D HN 0.817 nan 8.370 nan 0.000 0.456 75 A N -0.820 121.993 122.820 -0.010 0.000 2.586 75 A HA 0.642 4.963 4.320 0.001 0.000 0.290 75 A C -1.739 175.837 177.584 -0.013 0.000 1.086 75 A CA -0.608 51.422 52.037 -0.012 0.000 0.665 75 A CB 1.349 20.342 19.000 -0.011 0.000 1.279 75 A HN 0.080 nan 8.150 nan 0.000 0.423 76 I N 0.855 121.416 120.570 -0.015 0.000 2.594 76 I HA 0.298 4.468 4.170 0.001 0.000 0.272 76 I C -1.186 174.919 176.117 -0.020 0.000 1.225 76 I CA 0.054 61.343 61.300 -0.018 0.000 1.084 76 I CB 0.804 38.792 38.000 -0.020 0.000 1.324 76 I HN 0.784 nan 8.210 nan 0.000 0.481 77 E N 4.779 124.967 120.200 -0.020 0.000 2.249 77 E HA 0.650 5.001 4.350 0.001 0.000 0.280 77 E C 0.782 177.367 176.600 -0.025 0.000 1.016 77 E CA 0.379 56.767 56.400 -0.020 0.000 0.830 77 E CB 1.435 31.125 29.700 -0.017 0.000 1.081 77 E HN 0.805 nan 8.360 nan 0.000 0.395 78 G N 2.436 111.221 108.800 -0.025 0.000 2.148 78 G HA2 -0.240 3.720 3.960 0.001 0.000 0.203 78 G HA3 -0.240 3.720 3.960 0.001 0.000 0.203 78 G C 0.121 175.001 174.900 -0.033 0.000 0.993 78 G CA -0.566 44.516 45.100 -0.030 0.000 0.661 78 G HN 0.417 nan 8.290 nan 0.000 0.518 79 L N 1.225 122.430 121.223 -0.029 0.000 2.483 79 L HA 0.487 4.827 4.340 0.001 0.000 0.275 79 L C 0.579 177.428 176.870 -0.034 0.000 1.220 79 L CA 0.407 55.228 54.840 -0.033 0.000 0.833 79 L CB 0.980 43.022 42.059 -0.027 0.000 1.102 79 L HN 0.247 nan 8.230 nan 0.000 0.490 80 S N 1.855 117.526 115.700 -0.047 0.000 2.548 80 S HA 0.448 4.919 4.470 0.001 0.000 0.286 80 S C -2.533 172.019 174.600 -0.080 0.000 1.098 80 S CA -1.176 56.987 58.200 -0.062 0.000 0.930 80 S CB 1.998 65.149 63.200 -0.082 0.000 1.070 80 S HN 0.357 nan 8.310 nan 0.000 0.480 81 P HA 0.179 nan 4.420 nan 0.000 0.261 81 P C -1.098 176.100 177.300 -0.170 0.000 1.183 81 P CA 0.193 63.201 63.100 -0.153 0.000 0.761 81 P CB 0.055 31.546 31.700 -0.348 0.000 0.785 82 A N 4.475 127.240 122.820 -0.092 0.000 2.303 82 A HA 0.700 5.021 4.320 0.001 0.000 0.317 82 A C -0.276 177.385 177.584 0.128 0.000 1.149 82 A CA -0.643 51.395 52.037 0.000 0.000 0.822 82 A CB 0.468 19.546 19.000 0.130 0.000 1.131 82 A HN 0.487 nan 8.150 nan 0.000 0.493 83 I N 1.649 122.253 120.570 0.057 0.000 2.498 83 I HA 0.329 4.500 4.170 0.001 0.000 0.290 83 I C 0.226 176.362 176.117 0.032 0.000 1.032 83 I CA -0.411 60.947 61.300 0.097 0.000 1.073 83 I CB 2.409 40.375 38.000 -0.056 0.000 1.251 83 I HN 0.722 nan 8.210 nan 0.000 0.426 84 S N 6.633 122.234 115.700 -0.166 0.000 2.525 84 S HA 0.708 5.178 4.470 0.001 0.000 0.290 84 S C -0.563 174.024 174.600 -0.023 0.000 1.152 84 S CA -0.641 57.399 58.200 -0.267 0.000 1.072 84 S CB 1.563 64.311 63.200 -0.753 0.000 1.027 84 S HN 0.515 nan 8.310 nan 0.000 0.500 85 I N 3.508 124.115 120.570 0.062 0.000 2.668 85 I HA 0.326 4.497 4.170 0.001 0.000 0.276 85 I C -0.987 175.155 176.117 0.041 0.000 1.139 85 I CA -0.412 60.914 61.300 0.044 0.000 1.133 85 I CB 0.415 38.433 38.000 0.031 0.000 1.327 85 I HN 0.776 nan 8.210 nan 0.000 0.520 86 D N 2.941 123.328 120.400 -0.020 0.000 2.714 86 D HA 0.228 4.869 4.640 0.001 0.000 0.278 86 D C 0.325 176.584 176.300 -0.069 0.000 1.102 86 D CA -0.645 53.304 54.000 -0.085 0.000 1.108 86 D CB 0.931 41.575 40.800 -0.261 0.000 1.444 86 D HN 0.204 nan 8.370 nan 0.000 0.568 87 Q N -0.746 119.006 119.800 -0.081 0.000 2.311 87 Q HA -0.036 4.304 4.340 0.001 0.000 0.203 87 Q C 1.192 177.166 176.000 -0.042 0.000 0.954 87 Q CA 0.888 56.660 55.803 -0.051 0.000 0.885 87 Q CB 0.072 28.782 28.738 -0.047 0.000 0.963 87 Q HN 0.276 nan 8.270 nan 0.000 0.471 88 K N 0.259 120.623 120.400 -0.060 0.000 1.984 88 K HA -0.099 4.222 4.320 0.001 0.000 0.209 88 K C 2.144 178.741 176.600 -0.005 0.000 1.046 88 K CA 1.576 57.844 56.287 -0.032 0.000 0.934 88 K CB -0.847 31.631 32.500 -0.038 0.000 0.717 88 K HN 0.026 nan 8.250 nan 0.000 0.438 89 T N 0.914 115.466 114.554 -0.004 0.000 2.897 89 T HA -0.098 4.253 4.350 0.001 0.000 0.271 89 T C 0.574 175.291 174.700 0.028 0.000 1.084 89 T CA 1.324 63.439 62.100 0.025 0.000 1.123 89 T CB -0.659 68.229 68.868 0.033 0.000 0.865 89 T HN 0.560 nan 8.240 nan 0.000 0.496 90 T N 0.174 114.737 114.554 0.015 0.000 2.813 90 T HA 0.413 4.763 4.350 0.001 0.000 0.297 90 T C 0.321 175.035 174.700 0.022 0.000 1.036 90 T CA -0.683 61.429 62.100 0.019 0.000 1.044 90 T CB 1.137 70.012 68.868 0.011 0.000 0.993 90 T HN 0.144 nan 8.240 nan 0.000 0.535 91 S N -0.108 115.608 115.700 0.025 0.000 2.632 91 S HA 0.457 4.927 4.470 0.001 0.000 0.271 91 S C 0.362 174.974 174.600 0.020 0.000 1.260 91 S CA -0.897 57.318 58.200 0.026 0.000 1.010 91 S CB 0.326 63.545 63.200 0.031 0.000 0.965 91 S HN 0.784 nan 8.310 nan 0.000 0.534 92 R N 1.692 122.204 120.500 0.020 0.000 2.508 92 R HA 0.217 4.558 4.340 0.001 0.000 0.420 92 R C -1.253 175.058 176.300 0.018 0.000 0.866 92 R CA -0.352 55.758 56.100 0.016 0.000 1.103 92 R CB -0.015 30.293 30.300 0.013 0.000 1.657 92 R HN 0.382 nan 8.270 nan 0.000 0.562 93 N N 2.321 121.034 118.700 0.021 0.000 2.546 93 N HA 0.262 5.003 4.740 0.001 0.000 0.238 93 N C -2.535 172.990 175.510 0.026 0.000 0.984 93 N CA -1.700 51.363 53.050 0.022 0.000 0.935 93 N CB 0.944 39.444 38.487 0.021 0.000 1.122 93 N HN -0.110 nan 8.380 nan 0.000 0.510 94 P HA -0.173 nan 4.420 nan 0.000 0.275 94 P C 0.617 177.938 177.300 0.037 0.000 1.195 94 P CA 0.491 63.605 63.100 0.023 0.000 0.779 94 P CB 0.432 32.144 31.700 0.019 0.000 0.793 95 R N -1.266 119.256 120.500 0.036 0.000 3.804 95 R HA -0.144 4.196 4.340 0.001 0.000 0.459 95 R C -0.509 175.870 176.300 0.131 0.000 1.009 95 R CA 1.106 57.250 56.100 0.074 0.000 1.210 95 R CB -1.779 28.576 30.300 0.092 0.000 1.860 95 R HN 0.482 nan 8.270 nan 0.000 0.526 96 S N 0.324 116.073 115.700 0.083 0.000 2.478 96 S HA 0.558 5.029 4.470 0.001 0.000 0.312 96 S C 0.034 174.670 174.600 0.060 0.000 1.094 96 S CA 0.233 58.488 58.200 0.091 0.000 1.081 96 S CB 1.588 64.824 63.200 0.060 0.000 1.007 96 S HN 0.362 nan 8.310 nan 0.000 0.475 97 T N 1.208 115.807 114.554 0.074 0.000 2.893 97 T HA 0.491 4.842 4.350 0.001 0.000 0.279 97 T C 1.345 176.072 174.700 0.044 0.000 0.991 97 T CA -0.632 61.489 62.100 0.035 0.000 0.950 97 T CB 0.472 69.349 68.868 0.016 0.000 1.223 97 T HN 0.309 nan 8.240 nan 0.000 0.585 98 V N 1.057 120.992 119.914 0.035 0.000 2.358 98 V HA 0.066 4.187 4.120 0.001 0.000 0.246 98 V C 2.938 179.079 176.094 0.077 0.000 1.047 98 V CA 2.234 64.558 62.300 0.041 0.000 1.035 98 V CB -1.513 30.320 31.823 0.017 0.000 0.658 98 V HN 1.088 nan 8.190 nan 0.000 0.452 99 G N 0.533 109.396 108.800 0.105 0.000 2.440 99 G HA2 -0.304 3.657 3.960 0.001 0.000 0.218 99 G HA3 -0.304 3.657 3.960 0.001 0.000 0.218 99 G C 1.809 176.823 174.900 0.191 0.000 1.154 99 G CA 1.834 47.044 45.100 0.184 0.000 0.767 99 G HN 0.574 nan 8.290 nan 0.000 0.552 100 T N -0.954 113.677 114.554 0.128 0.000 2.812 100 T HA -0.051 4.300 4.350 0.001 0.000 0.264 100 T C 2.306 177.056 174.700 0.084 0.000 1.042 100 T CA 1.355 63.513 62.100 0.097 0.000 1.140 100 T CB -0.528 68.370 68.868 0.051 0.000 0.870 100 T HN 0.003 nan 8.240 nan 0.000 0.445 101 V N 3.098 123.057 119.914 0.075 0.000 2.261 101 V HA -0.180 3.940 4.120 0.001 0.000 0.246 101 V C 3.267 179.407 176.094 0.077 0.000 1.047 101 V CA 2.440 64.779 62.300 0.065 0.000 1.015 101 V CB -1.422 30.433 31.823 0.052 0.000 0.642 101 V HN 0.847 nan 8.190 nan 0.000 0.446 102 T N -2.748 111.861 114.554 0.091 0.000 3.007 102 T HA -0.150 4.200 4.350 0.001 0.000 0.270 102 T C 1.254 176.040 174.700 0.144 0.000 1.107 102 T CA 1.306 63.472 62.100 0.110 0.000 1.118 102 T CB -0.212 68.724 68.868 0.114 0.000 0.889 102 T HN 0.680 nan 8.240 nan 0.000 0.506 103 E N -0.816 119.466 120.200 0.137 0.000 4.217 103 E HA -0.201 4.149 4.350 0.001 0.000 0.365 103 E C 0.976 177.692 176.600 0.193 0.000 0.647 103 E CA 0.762 57.238 56.400 0.126 0.000 1.399 103 E CB -2.097 27.676 29.700 0.122 0.000 1.766 103 E HN 0.661 nan 8.360 nan 0.000 0.394 104 I N 0.262 120.979 120.570 0.245 0.000 2.226 104 I HA -0.256 3.914 4.170 0.001 0.000 0.245 104 I C 2.185 178.456 176.117 0.256 0.000 1.100 104 I CA 1.835 63.302 61.300 0.278 0.000 1.374 104 I CB -0.428 37.696 38.000 0.207 0.000 1.057 104 I HN 0.278 nan 8.210 nan 0.000 0.413 105 Y N 2.014 122.389 120.300 0.124 0.000 2.224 105 Y HA -0.314 4.236 4.550 0.001 0.000 0.289 105 Y C 2.035 177.971 175.900 0.061 0.000 1.146 105 Y CA 1.910 60.077 58.100 0.112 0.000 1.182 105 Y CB -0.164 38.369 38.460 0.122 0.000 0.983 105 Y HN 0.214 nan 8.280 nan 0.000 0.524 106 D N -1.040 119.405 120.400 0.075 0.000 2.144 106 D HA -0.213 4.427 4.640 0.001 0.000 0.199 106 D C 1.759 177.951 176.300 -0.179 0.000 0.984 106 D CA 1.800 55.739 54.000 -0.101 0.000 0.834 106 D CB -0.546 40.133 40.800 -0.202 0.000 0.955 106 D HN 0.482 nan 8.370 nan 0.000 0.465 107 Y N 0.086 120.387 120.300 0.003 0.000 2.293 107 Y HA -0.080 4.470 4.550 0.001 0.000 0.291 107 Y C 2.194 178.071 175.900 -0.037 0.000 1.137 107 Y CA 0.130 58.218 58.100 -0.020 0.000 1.202 107 Y CB 0.053 38.494 38.460 -0.031 0.000 0.990 107 Y HN -0.019 nan 8.280 nan 0.000 0.537 108 L N 0.183 121.450 121.223 0.073 0.000 2.017 108 L HA -0.204 4.136 4.340 0.001 0.000 0.208 108 L C 2.288 179.138 176.870 -0.034 0.000 1.073 108 L CA 1.762 56.633 54.840 0.051 0.000 0.745 108 L CB -1.093 40.943 42.059 -0.039 0.000 0.894 108 L HN 0.301 nan 8.230 nan 0.000 0.432 109 R N -0.378 119.986 120.500 -0.226 0.000 2.091 109 R HA -0.205 4.136 4.340 0.001 0.000 0.238 109 R C 2.236 178.530 176.300 -0.010 0.000 1.136 109 R CA 1.172 57.174 56.100 -0.163 0.000 0.959 109 R CB -0.555 29.717 30.300 -0.047 0.000 0.856 109 R HN 0.312 nan 8.270 nan 0.000 0.437 110 L N 0.895 122.130 121.223 0.021 0.000 2.056 110 L HA -0.169 4.172 4.340 0.001 0.000 0.207 110 L C 2.344 179.247 176.870 0.055 0.000 1.078 110 L CA 0.804 55.681 54.840 0.062 0.000 0.749 110 L CB -0.191 41.908 42.059 0.066 0.000 0.901 110 L HN 0.151 nan 8.230 nan 0.000 0.433 111 L N -0.511 120.741 121.223 0.048 0.000 1.989 111 L HA -0.249 4.091 4.340 0.001 0.000 0.211 111 L C 2.193 179.007 176.870 -0.092 0.000 1.071 111 L CA 2.053 56.889 54.840 -0.005 0.000 0.749 111 L CB -0.805 41.262 42.059 0.014 0.000 0.890 111 L HN 0.117 nan 8.230 nan 0.000 0.431 112 F N -0.122 119.668 119.950 -0.267 0.000 2.161 112 F HA -0.197 4.330 4.527 0.001 0.000 0.300 112 F C 2.485 178.141 175.800 -0.241 0.000 1.089 112 F CA 1.448 59.191 58.000 -0.429 0.000 1.282 112 F CB -1.032 37.333 39.000 -1.058 0.000 1.010 112 F HN 0.221 nan 8.300 nan 0.000 0.485 113 A N -0.400 122.465 122.820 0.076 0.000 2.015 113 A HA -0.105 4.216 4.320 0.001 0.000 0.219 113 A C 2.338 180.004 177.584 0.136 0.000 1.163 113 A CA 1.079 53.275 52.037 0.265 0.000 0.646 113 A CB -0.278 18.912 19.000 0.316 0.000 0.806 113 A HN 0.137 nan 8.150 nan 0.000 0.448 114 R N -0.187 120.353 120.500 0.067 0.000 2.066 114 R HA 0.103 4.443 4.340 0.001 0.000 0.224 114 R C 1.782 178.095 176.300 0.021 0.000 1.122 114 R CA 1.697 57.824 56.100 0.045 0.000 0.974 114 R CB -0.541 29.776 30.300 0.028 0.000 0.871 114 R HN 0.787 nan 8.270 nan 0.000 0.435 115 I N -3.268 117.286 120.570 -0.027 0.000 4.240 115 I HA 0.403 4.574 4.170 0.001 0.000 0.331 115 I C 0.597 176.669 176.117 -0.076 0.000 1.381 115 I CA -0.346 60.928 61.300 -0.044 0.000 1.136 115 I CB 0.563 38.524 38.000 -0.064 0.000 1.137 115 I HN -0.167 nan 8.210 nan 0.000 0.411 116 G N 2.964 111.706 108.800 -0.096 0.000 2.335 116 G HA2 0.210 4.171 3.960 0.001 0.000 0.268 116 G HA3 0.210 4.171 3.960 0.001 0.000 0.268 116 G C -0.137 174.769 174.900 0.009 0.000 1.228 116 G CA -0.355 44.692 45.100 -0.089 0.000 0.968 116 G HN 0.343 nan 8.290 nan 0.000 0.459 117 R N 4.302 124.808 120.500 0.010 0.000 2.296 117 R HA 0.173 4.514 4.340 0.001 0.000 0.323 117 R C -2.250 174.094 176.300 0.074 0.000 1.067 117 R CA -1.205 54.919 56.100 0.040 0.000 0.946 117 R CB 0.932 31.255 30.300 0.039 0.000 0.991 117 R HN 0.400 nan 8.270 nan 0.000 0.448 118 P HA 0.135 nan 4.420 nan 0.000 0.286 118 P C -0.374 177.005 177.300 0.131 0.000 1.269 118 P CA -0.204 62.951 63.100 0.092 0.000 0.787 118 P CB 0.798 32.499 31.700 0.003 0.000 0.920 119 I N 0.657 121.321 120.570 0.156 0.000 2.648 119 I HA 0.541 4.711 4.170 0.001 0.000 0.304 119 I C -0.491 175.727 176.117 0.168 0.000 1.009 119 I CA -1.289 60.100 61.300 0.149 0.000 1.114 119 I CB 2.007 40.075 38.000 0.114 0.000 1.293 119 I HN 0.253 nan 8.210 nan 0.000 0.449 120 C N 6.351 125.730 119.300 0.132 0.000 2.415 120 C HA 0.443 4.904 4.460 0.001 0.000 0.369 120 C C -0.979 173.927 174.990 -0.140 0.000 1.279 120 C CA -1.284 57.733 59.018 -0.001 0.000 1.886 120 C CB 0.507 28.314 27.740 0.112 0.000 2.468 120 C HN 0.765 nan 8.230 nan 0.000 0.553 121 P HA -0.094 nan 4.420 nan 0.000 0.215 121 P C 1.618 178.779 177.300 -0.232 0.000 1.157 121 P CA 2.066 65.016 63.100 -0.250 0.000 0.868 121 P CB -0.029 31.472 31.700 -0.331 0.000 0.788 122 T N -2.012 112.328 114.554 -0.357 0.000 2.821 122 T HA -0.132 4.218 4.350 0.001 0.000 0.267 122 T C 1.381 175.845 174.700 -0.392 0.000 1.046 122 T CA 1.570 63.422 62.100 -0.412 0.000 1.139 122 T CB -0.766 67.729 68.868 -0.622 0.000 0.871 122 T HN 0.374 nan 8.240 nan 0.000 0.454 123 H N -0.920 118.127 119.070 -0.038 0.000 2.750 123 H HA 0.389 4.945 4.556 0.001 0.000 0.263 123 H C 1.800 177.152 175.328 0.040 0.000 0.964 123 H CA 0.112 56.176 56.048 0.026 0.000 1.205 123 H CB 0.439 30.276 29.762 0.126 0.000 1.454 123 H HN 0.394 nan 8.280 nan 0.000 0.503 124 G N 1.538 110.409 108.800 0.118 0.000 2.187 124 G HA2 -0.321 3.640 3.960 0.001 0.000 0.261 124 G HA3 -0.321 3.640 3.960 0.001 0.000 0.261 124 G C 0.210 175.181 174.900 0.119 0.000 1.000 124 G CA 0.694 45.850 45.100 0.094 0.000 0.718 124 G HN 0.470 nan 8.290 nan 0.000 0.519 125 I N 0.175 120.843 120.570 0.163 0.000 2.392 125 I HA 0.414 4.585 4.170 0.001 0.000 0.295 125 I C 0.331 176.527 176.117 0.132 0.000 0.985 125 I CA -1.011 60.379 61.300 0.150 0.000 1.221 125 I CB 0.820 38.937 38.000 0.195 0.000 1.366 125 I HN 0.157 nan 8.210 nan 0.000 0.467 126 E N 7.862 128.127 120.200 0.107 0.000 2.328 126 E HA 0.106 4.456 4.350 0.001 0.000 0.265 126 E C -0.277 176.388 176.600 0.109 0.000 1.057 126 E CA -0.092 56.371 56.400 0.105 0.000 0.916 126 E CB 0.450 30.201 29.700 0.085 0.000 0.993 126 E HN 0.455 nan 8.360 nan 0.000 0.446 127 I N 0.568 121.221 120.570 0.139 0.000 2.471 127 I HA 0.109 4.279 4.170 0.001 0.000 0.286 127 I C 0.139 176.367 176.117 0.185 0.000 1.079 127 I CA -0.600 60.787 61.300 0.146 0.000 1.398 127 I CB 0.531 38.645 38.000 0.189 0.000 1.403 127 I HN 0.270 nan 8.210 nan 0.000 0.530 128 Q N 4.741 124.618 119.800 0.129 0.000 2.293 128 Q HA 0.580 4.921 4.340 0.001 0.000 0.216 128 Q C -0.579 175.435 176.000 0.025 0.000 1.003 128 Q CA -0.687 55.188 55.803 0.122 0.000 0.995 128 Q CB 1.929 30.698 28.738 0.052 0.000 1.172 128 Q HN 0.912 nan 8.270 nan 0.000 0.518 129 S N 0.088 115.731 115.700 -0.094 0.000 2.614 129 S HA 0.478 4.949 4.470 0.001 0.000 0.259 129 S C -1.156 173.358 174.600 -0.144 0.000 1.118 129 S CA -0.904 57.148 58.200 -0.246 0.000 1.065 129 S CB 0.995 63.767 63.200 -0.714 0.000 1.121 129 S HN 0.373 nan 8.310 nan 0.000 0.458 130 Q N 1.936 121.684 119.800 -0.088 0.000 2.306 130 Q HA 0.719 5.059 4.340 0.001 0.000 0.265 130 Q C 0.388 176.358 176.000 -0.049 0.000 1.022 130 Q CA -0.692 55.079 55.803 -0.052 0.000 0.853 130 Q CB 1.795 30.516 28.738 -0.028 0.000 1.327 130 Q HN 0.809 nan 8.270 nan 0.000 0.449 131 T N -2.323 112.210 114.554 -0.035 0.000 2.810 131 T HA 0.384 4.735 4.350 0.001 0.000 0.277 131 T C 1.155 175.843 174.700 -0.021 0.000 0.973 131 T CA -0.573 61.510 62.100 -0.028 0.000 0.949 131 T CB 0.379 69.235 68.868 -0.020 0.000 1.075 131 T HN 0.557 nan 8.240 nan 0.000 0.537 132 I N 0.401 120.961 120.570 -0.017 0.000 2.614 132 I HA -0.108 4.062 4.170 0.001 0.000 0.258 132 I C 2.609 178.721 176.117 -0.009 0.000 1.189 132 I CA 1.210 62.502 61.300 -0.014 0.000 1.462 132 I CB -0.498 37.494 38.000 -0.013 0.000 1.092 132 I HN 0.766 nan 8.210 nan 0.000 0.442 133 E N 0.544 120.740 120.200 -0.007 0.000 2.152 133 E HA -0.119 4.232 4.350 0.001 0.000 0.192 133 E C 0.946 177.547 176.600 0.001 0.000 0.983 133 E CA 0.565 56.964 56.400 -0.002 0.000 0.818 133 E CB 0.050 29.749 29.700 -0.001 0.000 0.758 133 E HN 0.587 nan 8.360 nan 0.000 0.467 137 D N 1.278 121.690 120.400 0.021 0.000 2.264 137 D HA -0.137 4.503 4.640 0.001 0.000 0.208 137 D C 1.790 178.119 176.300 0.048 0.000 0.966 137 D CA 1.324 55.341 54.000 0.029 0.000 0.864 137 D CB -0.157 40.655 40.800 0.020 0.000 0.933 137 D HN 0.455 nan 8.370 nan 0.000 0.499 138 R N -0.207 120.326 120.500 0.056 0.000 2.100 138 R HA 0.203 4.543 4.340 0.001 0.000 0.220 138 R C 2.415 178.816 176.300 0.168 0.000 1.091 138 R CA 0.354 56.510 56.100 0.093 0.000 0.986 138 R CB -0.238 30.110 30.300 0.080 0.000 0.888 138 R HN 0.255 nan 8.270 nan 0.000 0.444 139 L N 0.819 122.103 121.223 0.102 0.000 2.093 139 L HA -0.131 4.209 4.340 0.001 0.000 0.208 139 L C 2.264 179.212 176.870 0.129 0.000 1.085 139 L CA 1.047 55.922 54.840 0.059 0.000 0.755 139 L CB -0.305 41.727 42.059 -0.045 0.000 0.904 139 L HN 0.188 nan 8.230 nan 0.000 0.435 140 L N -1.102 120.180 121.223 0.098 0.000 2.265 140 L HA -0.153 4.187 4.340 0.001 0.000 0.215 140 L C 2.062 179.007 176.870 0.125 0.000 1.117 140 L CA 0.585 55.478 54.840 0.089 0.000 0.782 140 L CB -0.309 41.780 42.059 0.050 0.000 0.914 140 L HN 0.123 nan 8.230 nan 0.000 0.441 141 S N -0.941 114.852 115.700 0.156 0.000 2.767 141 S HA 0.110 4.581 4.470 0.001 0.000 0.253 141 S C -0.201 174.431 174.600 0.054 0.000 1.082 141 S CA -0.328 57.923 58.200 0.085 0.000 1.148 141 S CB -0.454 62.762 63.200 0.028 0.000 0.808 141 S HN 0.130 nan 8.310 nan 0.000 0.466 142 Y N 1.743 122.043 120.300 0.000 0.000 2.567 142 Y HA 0.530 5.081 4.550 0.001 0.000 0.333 142 Y C -1.904 173.997 175.900 0.001 0.000 1.106 142 Y CA -2.350 55.751 58.100 0.001 0.000 1.157 142 Y CB 0.603 39.064 38.460 0.001 0.000 1.277 142 Y HN 0.183 nan 8.280 nan 0.000 0.490 143 P HA 0.041 nan 4.420 nan 0.000 0.269 143 P C -0.878 176.472 177.300 0.084 0.000 1.215 143 P CA -0.080 63.068 63.100 0.081 0.000 0.780 143 P CB 0.732 32.469 31.700 0.061 0.000 0.898 144 E N 1.329 121.560 120.200 0.052 0.000 2.408 144 E HA 0.063 4.413 4.350 0.001 0.000 0.259 144 E C 0.320 176.940 176.600 0.034 0.000 1.110 144 E CA -0.322 56.102 56.400 0.040 0.000 0.929 144 E CB 0.174 29.890 29.700 0.027 0.000 0.971 144 E HN 0.341 nan 8.360 nan 0.000 0.438 145 R N -1.014 119.500 120.500 0.025 0.000 3.878 145 R HA -0.144 4.196 4.340 0.001 0.000 0.330 145 R C -0.369 175.942 176.300 0.018 0.000 1.186 145 R CA 0.878 56.989 56.100 0.018 0.000 0.885 145 R CB -2.760 27.550 30.300 0.016 0.000 1.377 145 R HN 0.663 nan 8.270 nan 0.000 0.523 146 T N -1.055 113.513 114.554 0.023 0.000 2.794 146 T HA 0.422 4.772 4.350 0.001 0.000 0.304 146 T C 0.518 175.213 174.700 -0.009 0.000 0.973 146 T CA -0.897 61.214 62.100 0.018 0.000 0.972 146 T CB 1.542 70.437 68.868 0.044 0.000 0.952 146 T HN 0.089 nan 8.240 nan 0.000 0.509 150 I N 4.739 125.290 120.570 -0.031 0.000 2.441 150 I HA 0.509 4.680 4.170 0.001 0.000 0.287 150 I C 0.430 176.534 176.117 -0.022 0.000 1.049 150 I CA -0.331 60.951 61.300 -0.029 0.000 1.381 150 I CB 0.295 38.278 38.000 -0.028 0.000 1.409 150 I HN 0.821 nan 8.210 nan 0.000 0.523 206 R N 0.439 120.930 120.500 -0.015 0.000 2.351 206 R HA 0.552 4.893 4.340 0.001 0.000 0.318 206 R C 0.199 176.490 176.300 -0.016 0.000 1.055 206 R CA -0.189 55.901 56.100 -0.016 0.000 0.968 206 R CB 0.140 30.433 30.300 -0.013 0.000 0.974 206 R HN 0.527 nan 8.270 nan 0.000 0.439 207 I N -0.585 119.972 120.570 -0.021 0.000 3.170 207 I HA 0.625 4.796 4.170 0.001 0.000 0.312 207 I C -0.644 175.461 176.117 -0.020 0.000 1.085 207 I CA -1.323 59.965 61.300 -0.019 0.000 0.999 207 I CB 2.085 40.072 38.000 -0.022 0.000 1.233 207 I HN 0.404 nan 8.210 nan 0.000 0.467 208 I N 3.418 123.979 120.570 -0.014 0.000 2.500 208 I HA 0.390 4.561 4.170 0.001 0.000 0.286 208 I C -0.536 175.577 176.117 -0.006 0.000 1.063 208 I CA -0.459 60.835 61.300 -0.010 0.000 1.062 208 I CB 2.033 40.030 38.000 -0.004 0.000 1.223 208 I HN 0.467 nan 8.210 nan 0.000 0.435 209 I N 6.725 127.292 120.570 -0.005 0.000 2.471 209 I HA 0.141 4.311 4.170 0.001 0.000 0.286 209 I C 0.759 176.885 176.117 0.015 0.000 1.079 209 I CA 0.493 61.796 61.300 0.005 0.000 1.398 209 I CB 0.747 38.752 38.000 0.010 0.000 1.403 209 I HN 0.743 nan 8.210 nan 0.000 0.530 210 K N 3.015 123.423 120.400 0.014 0.000 2.755 210 K HA 0.144 4.464 4.320 0.001 0.000 0.214 210 K C 0.305 176.914 176.600 0.016 0.000 1.572 210 K CA -0.125 56.171 56.287 0.015 0.000 1.020 210 K CB 0.406 32.912 32.500 0.010 0.000 1.905 210 K HN 0.625 nan 8.250 nan 0.000 0.467 211 D N -1.467 118.940 120.400 0.012 0.000 2.334 211 D HA 0.021 4.661 4.640 0.001 0.000 0.095 211 D C 0.551 176.857 176.300 0.009 0.000 1.492 211 D CA 0.517 54.524 54.000 0.012 0.000 1.287 211 D CB -0.268 40.538 40.800 0.010 0.000 2.525 211 D HN 0.130 nan 8.370 nan 0.000 0.221 212 G N 0.672 109.476 108.800 0.006 0.000 3.424 212 G HA2 0.267 4.227 3.960 0.001 0.000 0.263 212 G HA3 0.267 4.227 3.960 0.001 0.000 0.263 212 G C 0.985 175.887 174.900 0.003 0.000 1.310 212 G CA 0.513 45.615 45.100 0.004 0.000 1.089 212 G HN 0.402 nan 8.290 nan 0.000 0.534 213 I N -2.568 118.004 120.570 0.003 0.000 3.684 213 I HA 0.392 4.562 4.170 0.001 0.000 0.304 213 I C 2.145 178.261 176.117 -0.002 0.000 1.278 213 I CA -0.082 61.218 61.300 -0.000 0.000 1.272 213 I CB 0.094 38.093 38.000 -0.002 0.000 1.029 213 I HN -0.003 nan 8.210 nan 0.000 0.458 214 A N 1.403 124.223 122.820 0.001 0.000 2.024 214 A HA 0.004 4.324 4.320 0.001 0.000 0.220 214 A C 2.537 180.120 177.584 -0.002 0.000 1.164 214 A CA 1.742 53.779 52.037 0.000 0.000 0.643 214 A CB -0.939 18.062 19.000 0.003 0.000 0.806 214 A HN 0.599 nan 8.150 nan 0.000 0.451 215 A N -0.006 122.813 122.820 -0.002 0.000 1.858 215 A HA -0.174 4.147 4.320 0.001 0.000 0.216 215 A C 2.287 179.868 177.584 -0.005 0.000 1.190 215 A CA 1.612 53.647 52.037 -0.003 0.000 0.617 215 A CB -0.448 18.551 19.000 -0.002 0.000 0.827 215 A HN 0.569 nan 8.150 nan 0.000 0.443 216 R N -1.332 119.165 120.500 -0.006 0.000 2.061 216 R HA -0.045 4.296 4.340 0.001 0.000 0.230 216 R C 2.153 178.447 176.300 -0.010 0.000 1.140 216 R CA 1.293 57.389 56.100 -0.008 0.000 0.940 216 R CB -0.756 29.539 30.300 -0.008 0.000 0.839 216 R HN 0.430 nan 8.270 nan 0.000 0.429 217 L N 1.194 122.411 121.223 -0.011 0.000 2.089 217 L HA -0.224 4.117 4.340 0.001 0.000 0.213 217 L C 2.221 179.083 176.870 -0.013 0.000 1.079 217 L CA 2.078 56.909 54.840 -0.015 0.000 0.758 217 L CB -0.668 41.382 42.059 -0.015 0.000 0.891 217 L HN 0.228 nan 8.230 nan 0.000 0.433 218 A N -1.462 121.352 122.820 -0.010 0.000 1.930 218 A HA -0.217 4.103 4.320 0.001 0.000 0.217 218 A C 2.135 179.713 177.584 -0.010 0.000 1.175 218 A CA 1.800 53.831 52.037 -0.009 0.000 0.627 218 A CB -0.664 18.333 19.000 -0.006 0.000 0.815 218 A HN 0.530 nan 8.150 nan 0.000 0.443 219 D N -1.090 119.305 120.400 -0.009 0.000 2.271 219 D HA 0.041 4.681 4.640 0.001 0.000 0.206 219 D C 2.034 178.328 176.300 -0.011 0.000 0.967 219 D CA 1.075 55.070 54.000 -0.009 0.000 0.867 219 D CB 0.166 40.962 40.800 -0.007 0.000 0.960 219 D HN 0.311 nan 8.370 nan 0.000 0.509 220 S N -0.234 115.459 115.700 -0.012 0.000 2.371 220 S HA 0.018 4.489 4.470 0.001 0.000 0.224 220 S C 2.079 176.670 174.600 -0.016 0.000 1.029 220 S CA 0.379 58.570 58.200 -0.014 0.000 0.978 220 S CB 0.017 63.208 63.200 -0.016 0.000 0.833 220 S HN 0.292 nan 8.310 nan 0.000 0.466 221 L N 1.255 122.467 121.223 -0.018 0.000 2.217 221 L HA -0.030 4.311 4.340 0.001 0.000 0.211 221 L C 2.578 179.438 176.870 -0.017 0.000 1.107 221 L CA 0.999 55.827 54.840 -0.020 0.000 0.783 221 L CB -0.397 41.649 42.059 -0.022 0.000 0.919 221 L HN 0.373 nan 8.230 nan 0.000 0.442 222 E N 0.088 120.279 120.200 -0.015 0.000 2.047 222 E HA -0.184 4.166 4.350 0.001 0.000 0.191 222 E C 1.944 178.536 176.600 -0.012 0.000 0.987 222 E CA 1.711 58.103 56.400 -0.013 0.000 0.799 222 E CB 0.142 29.835 29.700 -0.011 0.000 0.752 222 E HN 0.357 nan 8.360 nan 0.000 0.449 223 T N 0.569 115.116 114.554 -0.012 0.000 2.821 223 T HA -0.078 4.273 4.350 0.001 0.000 0.267 223 T C 1.819 176.512 174.700 -0.011 0.000 1.046 223 T CA 1.095 63.189 62.100 -0.010 0.000 1.139 223 T CB -0.198 68.665 68.868 -0.010 0.000 0.871 223 T HN 0.306 nan 8.240 nan 0.000 0.454 224 A N 1.248 124.060 122.820 -0.014 0.000 1.898 224 A HA 0.082 4.402 4.320 0.001 0.000 0.216 224 A C 2.267 179.842 177.584 -0.015 0.000 1.181 224 A CA 1.044 53.072 52.037 -0.014 0.000 0.620 224 A CB -0.753 18.237 19.000 -0.017 0.000 0.819 224 A HN 0.463 nan 8.150 nan 0.000 0.442 225 L N -0.941 120.272 121.223 -0.016 0.000 2.141 225 L HA -0.129 4.212 4.340 0.001 0.000 0.209 225 L C 2.403 179.264 176.870 -0.015 0.000 1.094 225 L CA 1.330 56.160 54.840 -0.017 0.000 0.763 225 L CB -0.313 41.734 42.059 -0.020 0.000 0.908 225 L HN 0.338 nan 8.230 nan 0.000 0.437 226 K N -0.373 120.020 120.400 -0.013 0.000 2.296 226 K HA -0.095 4.225 4.320 0.001 0.000 0.200 226 K C 1.835 178.429 176.600 -0.009 0.000 1.048 226 K CA 0.658 56.939 56.287 -0.010 0.000 0.966 226 K CB 0.097 32.592 32.500 -0.009 0.000 0.754 226 K HN 0.093 nan 8.250 nan 0.000 0.466 227 L N -0.388 120.830 121.223 -0.009 0.000 2.375 227 L HA 0.109 4.449 4.340 0.001 0.000 0.215 227 L C 1.196 178.062 176.870 -0.007 0.000 1.108 227 L CA 0.921 55.756 54.840 -0.008 0.000 0.830 227 L CB 0.345 42.400 42.059 -0.008 0.000 0.959 227 L HN 0.003 nan 8.230 nan 0.000 0.457 228 A N -1.558 121.257 122.820 -0.009 0.000 2.610 228 A HA 0.369 4.689 4.320 0.001 0.000 0.291 228 A C 0.031 177.609 177.584 -0.010 0.000 1.116 228 A CA 0.124 52.156 52.037 -0.008 0.000 0.963 228 A CB -0.318 18.677 19.000 -0.009 0.000 1.220 228 A HN 0.380 nan 8.150 nan 0.000 0.530 248 H N 0.728 119.788 119.070 -0.017 0.000 2.923 248 H HA 0.372 4.929 4.556 0.001 0.000 0.251 248 H C -0.500 174.818 175.328 -0.017 0.000 1.741 248 H CA -0.051 55.994 56.048 -0.006 0.000 1.387 248 H CB 0.476 30.240 29.762 0.003 0.000 1.740 248 H HN 0.504 nan 8.280 nan 0.000 0.544 249 A N 1.385 124.250 122.820 0.074 0.000 2.356 249 A HA 0.402 4.723 4.320 0.001 0.000 0.323 249 A C -0.473 177.162 177.584 0.086 0.000 1.119 249 A CA -0.714 51.359 52.037 0.060 0.000 0.790 249 A CB 0.935 19.946 19.000 0.018 0.000 1.273 249 A HN 0.681 nan 8.150 nan 0.000 0.452 250 C N 3.479 122.868 119.300 0.147 0.000 2.464 250 C HA 0.473 4.933 4.460 0.001 0.000 0.370 250 C C -0.872 174.116 174.990 -0.003 0.000 1.267 250 C CA -1.404 57.695 59.018 0.135 0.000 1.781 250 C CB -0.185 27.738 27.740 0.305 0.000 2.431 250 C HN 0.724 nan 8.230 nan 0.000 0.556 251 P HA -0.151 nan 4.420 nan 0.000 0.216 251 P C 0.394 177.507 177.300 -0.312 0.000 1.154 251 P CA 1.913 64.798 63.100 -0.358 0.000 0.865 251 P CB -0.085 31.186 31.700 -0.715 0.000 0.789 252 Y N -1.731 118.526 120.300 -0.073 0.000 2.490 252 Y HA 0.138 4.688 4.550 0.001 0.000 0.281 252 Y C 1.747 177.672 175.900 0.042 0.000 1.174 252 Y CA -0.032 57.986 58.100 -0.138 0.000 1.295 252 Y CB -0.799 37.346 38.460 -0.525 0.000 1.062 252 Y HN 0.182 nan 8.280 nan 0.000 0.522 253 C N -4.254 115.190 119.300 0.240 0.000 3.855 253 C HA 0.751 5.212 4.460 0.001 0.000 0.293 253 C C 1.693 176.806 174.990 0.205 0.000 2.137 253 C CA -0.281 58.893 59.018 0.259 0.000 1.620 253 C CB 0.345 28.296 27.740 0.351 0.000 3.244 253 C HN 0.648 nan 8.230 nan 0.000 0.501 254 G N 1.779 110.674 108.800 0.158 0.000 2.609 254 G HA2 -0.368 3.592 3.960 0.001 0.000 0.235 254 G HA3 -0.368 3.592 3.960 0.001 0.000 0.235 254 G C 0.124 175.115 174.900 0.151 0.000 1.177 254 G CA 0.509 45.682 45.100 0.121 0.000 0.707 254 G HN 1.521 nan 8.290 nan 0.000 0.513 255 F N 2.779 122.763 119.950 0.058 0.000 2.452 255 F HA 0.330 4.858 4.527 0.001 0.000 0.403 255 F C 0.686 176.515 175.800 0.049 0.000 0.972 255 F CA 1.667 59.697 58.000 0.050 0.000 1.194 255 F CB 0.429 39.468 39.000 0.064 0.000 0.908 255 F HN 0.714 nan 8.300 nan 0.000 0.555 256 S N 4.256 119.541 115.700 -0.692 0.000 2.757 256 S HA 0.718 5.188 4.470 0.001 0.000 0.285 256 S C -1.297 172.958 174.600 -0.576 0.000 1.196 256 S CA -0.558 57.371 58.200 -0.452 0.000 0.856 256 S CB 1.289 64.389 63.200 -0.167 0.000 1.212 256 S HN 0.847 nan 8.310 nan 0.000 0.516 257 I N 1.985 122.394 120.570 -0.267 0.000 2.825 257 I HA 0.444 4.615 4.170 0.001 0.000 0.312 257 I C 0.983 177.049 176.117 -0.085 0.000 1.558 257 I CA 0.841 62.011 61.300 -0.216 0.000 0.779 257 I CB 0.029 37.896 38.000 -0.222 0.000 2.082 257 I HN 0.980 nan 8.210 nan 0.000 0.587 258 G N 2.136 110.903 108.800 -0.055 0.000 3.310 258 G HA2 -0.323 3.638 3.960 0.001 0.000 0.355 258 G HA3 -0.323 3.638 3.960 0.001 0.000 0.355 258 G C 0.585 175.539 174.900 0.090 0.000 1.811 258 G CA 1.470 46.572 45.100 0.003 0.000 2.003 258 G HN 0.492 nan 8.290 nan 0.000 1.001 259 E N -0.616 119.621 120.200 0.061 0.000 2.367 259 E HA 0.528 4.879 4.350 0.001 0.000 0.273 259 E C -0.705 175.930 176.600 0.058 0.000 0.903 259 E CA -0.849 55.617 56.400 0.109 0.000 0.764 259 E CB 1.610 31.365 29.700 0.091 0.000 1.252 259 E HN 0.133 nan 8.360 nan 0.000 0.446 260 L N 2.666 123.945 121.223 0.093 0.000 2.314 260 L HA 0.363 4.704 4.340 0.001 0.000 0.275 260 L C 0.108 177.074 176.870 0.160 0.000 1.068 260 L CA 0.185 55.091 54.840 0.111 0.000 0.894 260 L CB -0.105 42.029 42.059 0.126 0.000 1.275 260 L HN 0.393 nan 8.230 nan 0.000 0.432 261 E N 3.917 124.195 120.200 0.129 0.000 2.221 261 E HA 0.339 4.690 4.350 0.001 0.000 0.268 261 E C -1.683 175.043 176.600 0.211 0.000 0.933 261 E CA -1.784 54.708 56.400 0.153 0.000 0.809 261 E CB 1.895 31.673 29.700 0.130 0.000 1.190 261 E HN 0.189 nan 8.360 nan 0.000 0.406 262 P HA -0.231 nan 4.420 nan 0.000 0.216 262 P C 0.976 178.419 177.300 0.237 0.000 1.153 262 P CA 1.395 64.668 63.100 0.290 0.000 0.858 262 P CB 0.021 31.809 31.700 0.146 0.000 0.789 263 R N -0.082 120.497 120.500 0.132 0.000 2.357 263 R HA 0.013 4.353 4.340 0.001 0.000 0.202 263 R C 1.886 178.235 176.300 0.081 0.000 1.047 263 R CA 0.611 56.775 56.100 0.106 0.000 1.034 263 R CB -1.344 29.006 30.300 0.082 0.000 0.875 263 R HN 0.262 nan 8.270 nan 0.000 0.473 264 L N 0.127 121.300 121.223 -0.083 0.000 2.341 264 L HA 0.135 4.476 4.340 0.001 0.000 0.214 264 L C 0.645 177.213 176.870 -0.504 0.000 1.115 264 L CA 0.678 55.294 54.840 -0.373 0.000 0.820 264 L CB 0.189 41.852 42.059 -0.661 0.000 0.944 264 L HN 0.121 nan 8.230 nan 0.000 0.452 265 F N -1.409 118.573 119.950 0.053 0.000 2.639 265 F HA 0.241 4.768 4.527 0.001 0.000 0.302 265 F C 1.033 176.921 175.800 0.147 0.000 1.097 265 F CA -0.354 57.673 58.000 0.046 0.000 1.294 265 F CB 0.264 39.223 39.000 -0.069 0.000 1.027 265 F HN -0.105 nan 8.300 nan 0.000 0.550 266 S N 0.697 116.518 115.700 0.202 0.000 2.480 266 S HA 0.288 4.759 4.470 0.001 0.000 0.286 266 S C 0.609 175.245 174.600 0.060 0.000 1.180 266 S CA -0.676 57.574 58.200 0.082 0.000 1.075 266 S CB 0.337 63.538 63.200 0.002 0.000 0.996 266 S HN 0.313 nan 8.310 nan 0.000 0.487 267 F N 3.158 123.187 119.950 0.132 0.000 2.765 267 F HA 0.512 5.039 4.527 0.001 0.000 0.302 267 F C 0.848 176.671 175.800 0.040 0.000 1.111 267 F CA -0.541 57.497 58.000 0.063 0.000 1.359 267 F CB -0.282 38.733 39.000 0.025 0.000 1.097 267 F HN 0.386 nan 8.300 nan 0.000 0.577 268 N N 0.532 119.151 118.700 -0.135 0.000 2.321 268 N HA 0.118 4.858 4.740 0.001 0.000 0.242 268 N C -0.526 174.976 175.510 -0.014 0.000 1.141 268 N CA 0.176 53.197 53.050 -0.049 0.000 0.864 268 N CB 0.779 39.184 38.487 -0.137 0.000 1.100 268 N HN 0.217 nan 8.380 nan 0.000 0.510 269 S N 0.612 116.328 115.700 0.026 0.000 2.668 269 S HA 0.345 4.815 4.470 0.001 0.000 0.277 269 S C -2.369 172.292 174.600 0.101 0.000 1.170 269 S CA -1.126 57.107 58.200 0.055 0.000 0.994 269 S CB 1.599 64.830 63.200 0.051 0.000 1.051 269 S HN -0.101 nan 8.310 nan 0.000 0.484 270 P HA 0.069 nan 4.420 nan 0.000 0.242 270 P C 0.911 178.294 177.300 0.137 0.000 1.197 270 P CA 0.217 63.381 63.100 0.105 0.000 0.765 270 P CB -0.133 31.621 31.700 0.090 0.000 0.936 271 F N 1.237 121.175 119.950 -0.020 0.000 2.661 271 F HA 0.261 4.789 4.527 0.001 0.000 0.298 271 F C 1.541 177.306 175.800 -0.059 0.000 1.137 271 F CA 1.070 59.047 58.000 -0.037 0.000 1.454 271 F CB 0.008 38.985 39.000 -0.038 0.000 1.103 271 F HN -0.003 nan 8.300 nan 0.000 0.577 272 G N -0.521 108.310 108.800 0.051 0.000 5.602 272 G HA2 0.487 4.448 3.960 0.001 0.000 0.197 272 G HA3 0.487 4.448 3.960 0.001 0.000 0.197 272 G C -0.789 174.131 174.900 0.033 0.000 0.705 272 G CA 0.189 45.269 45.100 -0.034 0.000 0.662 272 G HN 0.390 nan 8.290 nan 0.000 0.365 273 A N -0.519 122.336 122.820 0.059 0.000 2.330 273 A HA 0.712 5.033 4.320 0.001 0.000 0.329 273 A C 0.365 177.988 177.584 0.066 0.000 1.135 273 A CA -0.573 51.525 52.037 0.101 0.000 0.817 273 A CB 1.084 20.157 19.000 0.121 0.000 1.269 273 A HN 0.935 nan 8.150 nan 0.000 0.469 274 C N 2.447 121.792 119.300 0.075 0.000 2.629 274 C HA 0.402 4.862 4.460 0.001 0.000 0.410 274 C C -0.907 174.104 174.990 0.036 0.000 1.339 274 C CA -1.117 57.929 59.018 0.047 0.000 1.810 274 C CB -0.169 27.597 27.740 0.042 0.000 2.549 274 C HN 0.682 nan 8.230 nan 0.000 0.589 275 P HA -0.039 nan 4.420 nan 0.000 0.215 275 P C 0.519 177.831 177.300 0.020 0.000 1.157 275 P CA 1.458 64.570 63.100 0.020 0.000 0.863 275 P CB -0.008 31.700 31.700 0.013 0.000 0.787 276 D N -1.334 119.076 120.400 0.017 0.000 2.395 276 D HA 0.016 4.657 4.640 0.001 0.000 0.250 276 D C 0.858 177.167 176.300 0.015 0.000 1.203 276 D CA 0.366 54.375 54.000 0.015 0.000 0.872 276 D CB -0.778 40.029 40.800 0.011 0.000 0.941 276 D HN 0.353 nan 8.370 nan 0.000 0.504 277 C N -3.757 115.554 119.300 0.019 0.000 4.851 277 C HA 0.150 4.610 4.460 0.001 0.000 0.365 277 C C 0.209 175.214 174.990 0.026 0.000 1.815 277 C CA -0.458 58.571 59.018 0.017 0.000 1.817 277 C CB -0.315 27.426 27.740 0.003 0.000 2.568 277 C HN 0.147 nan 8.230 nan 0.000 0.561 278 D N 1.714 122.136 120.400 0.036 0.000 2.746 278 D HA 0.154 4.794 4.640 0.001 0.000 0.241 278 D C 1.241 177.584 176.300 0.073 0.000 1.140 278 D CA 1.906 55.937 54.000 0.052 0.000 0.707 278 D CB -1.243 39.584 40.800 0.045 0.000 1.034 278 D HN 2.209 nan 8.370 nan 0.000 0.423 279 G N -0.226 108.625 108.800 0.085 0.000 2.258 279 G HA2 -0.331 3.629 3.960 0.001 0.000 0.274 279 G HA3 -0.331 3.629 3.960 0.001 0.000 0.274 279 G C 1.101 176.011 174.900 0.016 0.000 1.021 279 G CA 0.690 45.863 45.100 0.122 0.000 0.798 279 G HN 0.582 nan 8.290 nan 0.000 0.507 280 L N -1.437 119.773 121.223 -0.021 0.000 2.221 280 L HA 0.397 4.737 4.340 0.001 0.000 0.202 280 L C 2.640 179.436 176.870 -0.124 0.000 1.074 280 L CA 1.287 56.090 54.840 -0.061 0.000 0.795 280 L CB -0.305 41.742 42.059 -0.020 0.000 0.960 280 L HN 0.885 nan 8.230 nan 0.000 0.458 281 G N -0.078 108.662 108.800 -0.100 0.000 3.079 281 G HA2 -0.289 3.672 3.960 0.001 0.000 0.214 281 G HA3 -0.289 3.672 3.960 0.001 0.000 0.214 281 G C 0.406 175.250 174.900 -0.094 0.000 1.335 281 G CA -0.050 44.978 45.100 -0.119 0.000 0.822 281 G HN 0.539 nan 8.290 nan 0.000 0.545 282 A N 0.779 123.550 122.820 -0.081 0.000 2.290 282 A HA 0.790 5.111 4.320 0.001 0.000 0.310 282 A C 0.341 177.903 177.584 -0.036 0.000 1.202 282 A CA 0.794 52.794 52.037 -0.062 0.000 0.837 282 A CB 1.224 20.189 19.000 -0.059 0.000 1.139 282 A HN 0.631 nan 8.150 nan 0.000 0.509 283 K N 1.083 121.466 120.400 -0.028 0.000 2.731 283 K HA 0.674 4.994 4.320 0.001 0.000 0.284 283 K C -0.831 175.762 176.600 -0.013 0.000 1.027 283 K CA -0.174 56.109 56.287 -0.007 0.000 1.040 283 K CB 0.277 32.775 32.500 -0.003 0.000 1.334 283 K HN 0.587 nan 8.250 nan 0.000 0.498 284 L N 1.601 122.820 121.223 -0.008 0.000 2.676 284 L HA 0.270 4.611 4.340 0.001 0.000 0.262 284 L C -1.348 175.471 176.870 -0.084 0.000 0.965 284 L CA -0.226 54.583 54.840 -0.053 0.000 0.920 284 L CB 1.079 43.102 42.059 -0.061 0.000 1.260 284 L HN 0.871 nan 8.230 nan 0.000 0.422 285 E N 3.286 123.437 120.200 -0.081 0.000 2.355 285 E HA 0.632 4.983 4.350 0.001 0.000 0.261 285 E C -1.085 175.461 176.600 -0.091 0.000 0.943 285 E CA -0.955 55.400 56.400 -0.075 0.000 0.806 285 E CB 2.135 31.816 29.700 -0.031 0.000 1.286 285 E HN 0.178 nan 8.360 nan 0.000 0.424 286 V N 1.054 120.927 119.914 -0.070 0.000 2.811 286 V HA 0.113 4.234 4.120 0.001 0.000 0.302 286 V C -0.210 175.861 176.094 -0.039 0.000 1.063 286 V CA 0.070 62.335 62.300 -0.058 0.000 1.088 286 V CB 0.978 32.770 31.823 -0.051 0.000 0.982 286 V HN 0.718 nan 8.190 nan 0.000 0.485 287 D N 2.403 122.783 120.400 -0.033 0.000 2.362 287 D HA 0.331 4.972 4.640 0.001 0.000 0.247 287 D C 0.603 176.884 176.300 -0.032 0.000 1.050 287 D CA -0.633 53.351 54.000 -0.026 0.000 0.839 287 D CB 1.681 42.467 40.800 -0.024 0.000 1.283 287 D HN 0.162 nan 8.370 nan 0.000 0.477 288 L N 2.550 123.754 121.223 -0.031 0.000 2.201 288 L HA -0.058 4.283 4.340 0.001 0.000 0.212 288 L C 1.631 178.472 176.870 -0.048 0.000 1.105 288 L CA 1.207 56.016 54.840 -0.051 0.000 0.775 288 L CB -1.021 41.024 42.059 -0.023 0.000 0.913 288 L HN 0.566 nan 8.230 nan 0.000 0.440 289 D N 0.140 120.523 120.400 -0.029 0.000 2.103 289 D HA -0.146 4.495 4.640 0.001 0.000 0.199 289 D C 2.186 178.481 176.300 -0.009 0.000 0.978 289 D CA 0.983 54.970 54.000 -0.022 0.000 0.829 289 D CB 0.204 40.995 40.800 -0.016 0.000 0.981 289 D HN 0.106 nan 8.370 nan 0.000 0.464 290 L N 0.053 121.281 121.223 0.008 0.000 2.131 290 L HA -0.103 4.237 4.340 0.001 0.000 0.210 290 L C 2.592 179.521 176.870 0.098 0.000 1.092 290 L CA 0.689 55.562 54.840 0.054 0.000 0.759 290 L CB -0.628 41.468 42.059 0.063 0.000 0.903 290 L HN -0.013 nan 8.230 nan 0.000 0.435 291 V N 0.218 120.142 119.914 0.017 0.000 2.407 291 V HA -0.164 3.957 4.120 0.001 0.000 0.248 291 V C 1.078 177.115 176.094 -0.093 0.000 1.055 291 V CA 1.478 63.726 62.300 -0.087 0.000 1.049 291 V CB -0.578 31.132 31.823 -0.189 0.000 0.662 291 V HN 0.459 nan 8.190 nan 0.000 0.455 292 I N -2.180 118.351 120.570 -0.065 0.000 2.495 292 I HA 0.387 4.557 4.170 0.001 0.000 0.277 292 I C -1.783 174.320 176.117 -0.024 0.000 1.045 292 I CA -2.186 59.080 61.300 -0.056 0.000 1.135 292 I CB 1.694 39.646 38.000 -0.080 0.000 1.241 292 I HN -0.051 nan 8.210 nan 0.000 0.469 293 P HA -0.116 nan 4.420 nan 0.000 0.208 293 P C 0.008 177.304 177.300 -0.006 0.000 1.195 293 P CA 1.243 64.346 63.100 0.004 0.000 0.927 293 P CB -0.004 31.706 31.700 0.017 0.000 0.778 294 N N 0.671 119.366 118.700 -0.008 0.000 2.422 294 N HA 0.045 4.786 4.740 0.001 0.000 0.266 294 N C 0.518 176.015 175.510 -0.021 0.000 1.007 294 N CA -0.127 52.914 53.050 -0.014 0.000 0.941 294 N CB 0.195 38.674 38.487 -0.013 0.000 1.115 294 N HN -0.020 nan 8.380 nan 0.000 0.492 295 D N 1.159 121.544 120.400 -0.026 0.000 2.384 295 D HA -0.137 4.504 4.640 0.001 0.000 0.222 295 D C -0.371 175.911 176.300 -0.031 0.000 0.976 295 D CA 0.782 54.763 54.000 -0.032 0.000 0.915 295 D CB 0.277 41.057 40.800 -0.033 0.000 0.896 295 D HN 0.701 nan 8.370 nan 0.000 0.523 296 E N 0.321 120.506 120.200 -0.026 0.000 2.546 296 E HA 0.405 4.756 4.350 0.001 0.000 0.227 296 E C -0.660 175.926 176.600 -0.023 0.000 1.009 296 E CA -0.504 55.881 56.400 -0.025 0.000 0.813 296 E CB 0.555 30.241 29.700 -0.024 0.000 1.269 296 E HN 0.102 nan 8.360 nan 0.000 0.432 297 L N 1.599 122.807 121.223 -0.025 0.000 2.445 297 L HA 0.375 4.716 4.340 0.001 0.000 0.262 297 L C 0.002 176.856 176.870 -0.027 0.000 0.974 297 L CA -1.239 53.588 54.840 -0.022 0.000 0.822 297 L CB 2.629 44.679 42.059 -0.014 0.000 1.339 297 L HN 0.394 nan 8.230 nan 0.000 0.409 298 T N -0.322 114.214 114.554 -0.030 0.000 2.784 298 T HA 0.081 4.431 4.350 0.001 0.000 0.291 298 T C 0.961 175.631 174.700 -0.050 0.000 0.942 298 T CA -0.483 61.593 62.100 -0.040 0.000 1.161 298 T CB 0.764 69.606 68.868 -0.044 0.000 0.885 298 T HN 0.481 nan 8.240 nan 0.000 0.534 299 L N 2.930 124.125 121.223 -0.047 0.000 2.191 299 L HA -0.005 4.336 4.340 0.001 0.000 0.212 299 L C 2.442 179.265 176.870 -0.078 0.000 1.103 299 L CA 1.719 56.532 54.840 -0.046 0.000 0.769 299 L CB -0.741 41.296 42.059 -0.036 0.000 0.908 299 L HN 0.849 nan 8.230 nan 0.000 0.438 300 K N -0.295 120.048 120.400 -0.096 0.000 2.057 300 K HA -0.231 4.090 4.320 0.001 0.000 0.207 300 K C 1.259 177.672 176.600 -0.312 0.000 1.049 300 K CA 1.680 57.882 56.287 -0.142 0.000 0.931 300 K CB -0.063 32.381 32.500 -0.094 0.000 0.714 300 K HN 0.237 nan 8.250 nan 0.000 0.440 301 E N 0.783 120.823 120.200 -0.265 0.000 2.311 301 E HA -0.005 4.346 4.350 0.001 0.000 0.198 301 E C -1.281 175.156 176.600 -0.273 0.000 1.115 301 E CA -0.098 56.101 56.400 -0.334 0.000 1.140 301 E CB -0.476 29.155 29.700 -0.114 0.000 1.204 301 E HN 0.270 nan 8.360 nan 0.000 0.446 302 H N -1.653 117.430 119.070 0.022 0.000 3.195 302 H HA -0.169 4.387 4.556 0.001 0.000 0.330 302 H C 0.511 175.842 175.328 0.006 0.000 1.015 302 H CA 0.632 56.695 56.048 0.025 0.000 1.043 302 H CB -1.555 28.231 29.762 0.041 0.000 1.581 302 H HN 0.327 nan 8.280 nan 0.000 0.365 303 A N 3.511 126.365 122.820 0.057 0.000 1.887 303 A HA 0.157 4.477 4.320 0.001 0.000 0.212 303 A C 1.533 179.111 177.584 -0.009 0.000 1.198 303 A CA 0.720 52.764 52.037 0.011 0.000 0.628 303 A CB 0.244 19.230 19.000 -0.023 0.000 0.847 303 A HN 0.634 nan 8.150 nan 0.000 0.449 304 I N -2.559 117.990 120.570 -0.036 0.000 2.471 304 I HA 0.536 4.706 4.170 0.001 0.000 0.286 304 I C 1.021 177.090 176.117 -0.079 0.000 1.079 304 I CA -0.119 61.111 61.300 -0.117 0.000 1.398 304 I CB 1.102 38.956 38.000 -0.243 0.000 1.403 304 I HN 0.141 nan 8.210 nan 0.000 0.530 305 A N 8.660 131.412 122.820 -0.113 0.000 1.832 305 A HA 0.041 4.361 4.320 0.001 0.000 0.214 305 A C 0.100 177.555 177.584 -0.214 0.000 1.200 305 A CA 1.277 53.271 52.037 -0.072 0.000 0.610 305 A CB -2.059 16.995 19.000 0.090 0.000 0.842 305 A HN 0.818 nan 8.150 nan 0.000 0.444 306 P HA -0.159 nan 4.420 nan 0.000 0.218 306 P C -0.013 177.269 177.300 -0.030 0.000 1.146 306 P CA 1.042 63.756 63.100 -0.643 0.000 0.813 306 P CB -0.252 30.966 31.700 -0.803 0.000 0.778 307 W N 1.667 122.785 121.300 -0.304 0.000 2.269 307 W HA 0.367 5.027 4.660 0.001 0.000 0.402 307 W C 0.463 176.925 176.519 -0.096 0.000 0.654 307 W CA -1.034 56.203 57.345 -0.180 0.000 2.299 307 W CB -0.816 28.583 29.460 -0.100 0.000 1.621 307 W HN 0.039 nan 8.180 nan 0.000 0.677 308 E N 1.078 121.297 120.200 0.033 0.000 2.191 308 E HA 0.296 4.647 4.350 0.001 0.000 0.278 308 E C -2.134 174.381 176.600 -0.143 0.000 0.972 308 E CA -2.627 53.688 56.400 -0.142 0.000 0.804 308 E CB 1.503 31.131 29.700 -0.119 0.000 1.110 308 E HN -0.266 nan 8.360 nan 0.000 0.394 309 P HA -0.113 nan 4.420 nan 0.000 0.247 309 P C -0.831 176.442 177.300 -0.044 0.000 1.141 309 P CA 0.561 63.600 63.100 -0.103 0.000 0.858 309 P CB 0.066 31.690 31.700 -0.126 0.000 0.804 310 Q N 2.667 122.472 119.800 0.008 0.000 2.938 310 Q HA 0.137 4.477 4.340 0.001 0.000 0.343 310 Q C 0.181 176.201 176.000 0.033 0.000 1.185 310 Q CA 0.124 55.943 55.803 0.027 0.000 0.939 310 Q CB -1.099 27.667 28.738 0.047 0.000 1.480 310 Q HN 0.339 nan 8.270 nan 0.000 0.442 311 S N -0.886 114.827 115.700 0.021 0.000 3.476 311 S HA -0.194 4.277 4.470 0.001 0.000 0.309 311 S C -0.443 174.170 174.600 0.021 0.000 1.222 311 S CA 0.955 59.167 58.200 0.020 0.000 0.922 311 S CB -2.134 61.079 63.200 0.021 0.000 1.023 311 S HN 0.808 nan 8.310 nan 0.000 0.591 312 S N -0.518 115.202 115.700 0.034 0.000 2.586 312 S HA 0.463 4.934 4.470 0.001 0.000 0.296 312 S C -1.446 173.199 174.600 0.074 0.000 1.120 312 S CA -1.029 57.196 58.200 0.043 0.000 0.927 312 S CB 1.272 64.494 63.200 0.037 0.000 1.114 312 S HN 0.228 nan 8.310 nan 0.000 0.453 313 Q N 2.563 122.412 119.800 0.082 0.000 2.466 313 Q HA 0.340 4.681 4.340 0.001 0.000 0.242 313 Q C -0.656 175.416 176.000 0.120 0.000 1.046 313 Q CA -0.588 55.272 55.803 0.096 0.000 0.841 313 Q CB 1.035 29.825 28.738 0.087 0.000 1.193 313 Q HN 0.851 nan 8.270 nan 0.000 0.508 314 Y N 1.836 122.099 120.300 -0.063 0.000 2.569 314 Y HA 0.020 4.570 4.550 0.001 0.000 0.278 314 Y C 0.950 176.650 175.900 -0.334 0.000 1.130 314 Y CA 0.654 58.617 58.100 -0.229 0.000 1.280 314 Y CB 0.189 38.391 38.460 -0.430 0.000 1.379 314 Y HN 0.488 nan 8.280 nan 0.000 0.508 315 Y N 1.145 121.183 120.300 -0.437 0.000 2.224 315 Y HA -0.046 4.505 4.550 0.001 0.000 0.289 315 Y C -0.681 175.007 175.900 -0.352 0.000 1.146 315 Y CA 1.659 59.310 58.100 -0.748 0.000 1.182 315 Y CB -1.950 35.941 38.460 -0.948 0.000 0.983 315 Y HN 0.232 nan 8.280 nan 0.000 0.524 316 P HA -0.179 nan 4.420 nan 0.000 0.216 316 P C 1.057 178.383 177.300 0.044 0.000 1.150 316 P CA 1.796 64.963 63.100 0.111 0.000 0.837 316 P CB -0.008 31.780 31.700 0.147 0.000 0.786 317 Q N -1.081 118.701 119.800 -0.031 0.000 2.123 317 Q HA -0.050 4.291 4.340 0.001 0.000 0.199 317 Q C 2.186 178.162 176.000 -0.039 0.000 0.966 317 Q CA 0.768 56.585 55.803 0.024 0.000 0.845 317 Q CB -0.671 28.133 28.738 0.109 0.000 0.907 317 Q HN 0.247 nan 8.270 nan 0.000 0.439 318 L N 1.027 122.031 121.223 -0.364 0.000 2.046 318 L HA -0.185 4.156 4.340 0.001 0.000 0.208 318 L C 2.299 178.952 176.870 -0.363 0.000 1.077 318 L CA 0.764 55.138 54.840 -0.776 0.000 0.747 318 L CB -0.267 41.094 42.059 -1.163 0.000 0.896 318 L HN 0.358 nan 8.230 nan 0.000 0.432 319 L N 0.202 121.386 121.223 -0.065 0.000 2.043 319 L HA -0.283 4.058 4.340 0.001 0.000 0.212 319 L C 2.295 179.147 176.870 -0.030 0.000 1.075 319 L CA 2.103 56.989 54.840 0.076 0.000 0.752 319 L CB -0.839 41.361 42.059 0.234 0.000 0.891 319 L HN 0.441 nan 8.230 nan 0.000 0.432 320 E N -0.103 120.091 120.200 -0.009 0.000 2.077 320 E HA -0.178 4.173 4.350 0.001 0.000 0.193 320 E C 2.202 178.801 176.600 -0.002 0.000 0.989 320 E CA 1.162 57.568 56.400 0.010 0.000 0.800 320 E CB -0.143 29.582 29.700 0.042 0.000 0.746 320 E HN 0.653 nan 8.360 nan 0.000 0.452 321 A N 1.020 123.822 122.820 -0.031 0.000 1.940 321 A HA -0.162 4.158 4.320 0.001 0.000 0.219 321 A C 2.474 180.005 177.584 -0.088 0.000 1.176 321 A CA 1.295 53.323 52.037 -0.016 0.000 0.631 321 A CB -0.552 18.445 19.000 -0.006 0.000 0.814 321 A HN 0.121 nan 8.150 nan 0.000 0.446 322 V N -1.307 118.467 119.914 -0.234 0.000 2.407 322 V HA -0.238 3.882 4.120 0.001 0.000 0.245 322 V C 2.585 178.700 176.094 0.035 0.000 1.041 322 V CA 1.774 63.932 62.300 -0.235 0.000 1.040 322 V CB -0.941 30.507 31.823 -0.624 0.000 0.671 322 V HN 0.707 nan 8.190 nan 0.000 0.455 323 C N -0.241 119.060 119.300 0.003 0.000 2.453 323 C HA -0.106 4.354 4.460 0.001 0.000 0.277 323 C C 2.926 177.963 174.990 0.078 0.000 1.262 323 C CA 1.242 60.291 59.018 0.052 0.000 1.718 323 C CB -0.988 26.762 27.740 0.017 0.000 2.031 323 C HN 0.564 nan 8.230 nan 0.000 0.480 324 R N -0.119 120.419 120.500 0.064 0.000 2.120 324 R HA -0.158 4.182 4.340 0.001 0.000 0.234 324 R C 2.374 178.714 176.300 0.067 0.000 1.123 324 R CA 1.429 57.567 56.100 0.064 0.000 0.975 324 R CB -0.569 29.775 30.300 0.074 0.000 0.866 324 R HN 0.722 nan 8.270 nan 0.000 0.446 325 H N -0.859 118.198 119.070 -0.022 0.000 2.343 325 H HA -0.104 4.452 4.556 0.001 0.000 0.303 325 H C 0.966 176.192 175.328 -0.171 0.000 1.068 325 H CA 1.685 57.664 56.048 -0.114 0.000 1.359 325 H CB -0.049 29.591 29.762 -0.203 0.000 1.402 325 H HN 0.296 nan 8.280 nan 0.000 0.515 326 Y N -0.012 120.341 120.300 0.087 0.000 2.544 326 Y HA 0.126 4.677 4.550 0.001 0.000 0.286 326 Y C 1.646 177.535 175.900 -0.019 0.000 1.141 326 Y CA 0.571 58.690 58.100 0.032 0.000 1.299 326 Y CB 0.500 39.008 38.460 0.081 0.000 1.030 326 Y HN 0.495 nan 8.280 nan 0.000 0.543 327 G N 1.289 110.148 108.800 0.099 0.000 2.204 327 G HA2 -0.271 3.689 3.960 0.001 0.000 0.244 327 G HA3 -0.271 3.689 3.960 0.001 0.000 0.244 327 G C -0.226 174.706 174.900 0.054 0.000 1.062 327 G CA -0.209 44.922 45.100 0.050 0.000 0.798 327 G HN 0.302 nan 8.290 nan 0.000 0.496 328 I N 2.211 122.819 120.570 0.062 0.000 2.301 328 I HA 0.232 4.403 4.170 0.001 0.000 0.292 328 I C -0.742 175.384 176.117 0.015 0.000 1.046 328 I CA -1.988 59.331 61.300 0.033 0.000 1.282 328 I CB 0.763 38.778 38.000 0.025 0.000 1.409 328 I HN 0.039 nan 8.210 nan 0.000 0.484 332 V N 1.880 121.780 119.914 -0.023 0.000 2.607 332 V HA 0.469 4.590 4.120 0.001 0.000 0.289 332 V C -2.055 174.023 176.094 -0.025 0.000 1.053 332 V CA -1.274 61.013 62.300 -0.022 0.000 0.996 332 V CB 1.320 33.132 31.823 -0.018 0.000 0.995 332 V HN -0.043 nan 8.190 nan 0.000 0.476 333 P HA 0.090 nan 4.420 nan 0.000 0.267 333 P C 0.896 178.179 177.300 -0.028 0.000 1.205 333 P CA 0.000 63.084 63.100 -0.026 0.000 0.765 333 P CB 0.612 32.298 31.700 -0.024 0.000 0.828 334 V N 3.115 123.010 119.914 -0.033 0.000 2.568 334 V HA -0.233 3.887 4.120 0.001 0.000 0.253 334 V C 2.354 178.428 176.094 -0.034 0.000 1.072 334 V CA 1.582 63.860 62.300 -0.037 0.000 1.084 334 V CB -0.898 30.897 31.823 -0.046 0.000 0.676 334 V HN 0.650 nan 8.190 nan 0.000 0.469 335 K N 0.421 120.803 120.400 -0.030 0.000 2.097 335 K HA -0.168 4.152 4.320 0.001 0.000 0.206 335 K C 1.166 177.751 176.600 -0.025 0.000 1.049 335 K CA 1.511 57.781 56.287 -0.028 0.000 0.933 335 K CB -0.319 32.166 32.500 -0.026 0.000 0.717 335 K HN 0.455 nan 8.250 nan 0.000 0.442 336 D N 0.656 121.042 120.400 -0.023 0.000 2.395 336 D HA 0.098 4.738 4.640 0.001 0.000 0.226 336 D C -0.129 176.160 176.300 -0.019 0.000 1.146 336 D CA 0.011 53.999 54.000 -0.020 0.000 0.830 336 D CB 0.189 40.978 40.800 -0.018 0.000 0.958 336 D HN 0.125 nan 8.370 nan 0.000 0.501 337 L N 1.614 122.824 121.223 -0.022 0.000 2.289 337 L HA 0.334 4.674 4.340 0.001 0.000 0.285 337 L C -1.957 174.900 176.870 -0.021 0.000 1.049 337 L CA -1.796 53.031 54.840 -0.022 0.000 0.804 337 L CB 1.029 43.071 42.059 -0.028 0.000 1.195 337 L HN -0.312 nan 8.230 nan 0.000 0.428 338 P HA -0.059 nan 4.420 nan 0.000 0.267 338 P C 0.328 177.617 177.300 -0.020 0.000 1.195 338 P CA 0.028 63.119 63.100 -0.015 0.000 0.773 338 P CB 0.695 32.390 31.700 -0.009 0.000 0.837 339 K N 1.817 122.207 120.400 -0.017 0.000 2.097 339 K HA -0.176 4.144 4.320 0.001 0.000 0.206 339 K C 1.591 178.180 176.600 -0.018 0.000 1.049 339 K CA 1.225 57.503 56.287 -0.015 0.000 0.933 339 K CB 0.043 32.536 32.500 -0.011 0.000 0.717 339 K HN 0.357 nan 8.250 nan 0.000 0.442 340 E N 0.524 120.711 120.200 -0.022 0.000 2.072 340 E HA -0.170 4.181 4.350 0.001 0.000 0.191 340 E C 2.095 178.650 176.600 -0.075 0.000 0.985 340 E CA 0.868 57.245 56.400 -0.037 0.000 0.801 340 E CB 0.009 29.696 29.700 -0.022 0.000 0.750 340 E HN 0.366 nan 8.360 nan 0.000 0.452 341 Q N 0.289 120.056 119.800 -0.057 0.000 2.077 341 Q HA -0.175 4.165 4.340 0.001 0.000 0.206 341 Q C 2.327 178.269 176.000 -0.096 0.000 0.989 341 Q CA 0.960 56.721 55.803 -0.070 0.000 0.853 341 Q CB -0.467 28.253 28.738 -0.030 0.000 0.907 341 Q HN 0.203 nan 8.270 nan 0.000 0.418 342 L N 1.205 122.385 121.223 -0.071 0.000 2.179 342 L HA -0.087 4.253 4.340 0.001 0.000 0.208 342 L C 1.462 178.287 176.870 -0.075 0.000 1.096 342 L CA 1.548 56.340 54.840 -0.080 0.000 0.779 342 L CB -0.340 41.682 42.059 -0.063 0.000 0.922 342 L HN 0.018 nan 8.230 nan 0.000 0.443 343 D N -0.495 119.887 120.400 -0.030 0.000 2.178 343 D HA -0.142 4.498 4.640 0.001 0.000 0.201 343 D C 1.979 178.288 176.300 0.014 0.000 0.980 343 D CA 0.750 54.789 54.000 0.065 0.000 0.842 343 D CB 0.126 40.961 40.800 0.058 0.000 0.948 343 D HN 0.250 nan 8.370 nan 0.000 0.472 344 K N 0.712 121.030 120.400 -0.137 0.000 2.062 344 K HA -0.003 4.318 4.320 0.001 0.000 0.205 344 K C 2.304 178.883 176.600 -0.035 0.000 1.051 344 K CA 0.134 56.285 56.287 -0.227 0.000 0.941 344 K CB -0.524 31.505 32.500 -0.785 0.000 0.719 344 K HN 0.276 nan 8.250 nan 0.000 0.440 345 I N 0.553 121.085 120.570 -0.064 0.000 2.252 345 I HA -0.251 3.920 4.170 0.001 0.000 0.245 345 I C 1.595 177.671 176.117 -0.068 0.000 1.102 345 I CA 1.166 62.479 61.300 0.022 0.000 1.385 345 I CB 0.113 38.056 38.000 -0.094 0.000 1.064 345 I HN -0.048 nan 8.210 nan 0.000 0.414 346 L N -0.086 120.985 121.223 -0.254 0.000 2.068 346 L HA -0.125 4.215 4.340 0.001 0.000 0.204 346 L C 2.020 178.535 176.870 -0.591 0.000 1.076 346 L CA 1.821 56.343 54.840 -0.530 0.000 0.753 346 L CB -0.983 40.622 42.059 -0.757 0.000 0.910 346 L HN 0.231 nan 8.230 nan 0.000 0.439 347 Y N -0.812 119.414 120.300 -0.123 0.000 2.458 347 Y HA 0.537 5.087 4.550 0.001 0.000 0.254 347 Y C 1.340 177.163 175.900 -0.127 0.000 1.120 347 Y CA 0.047 58.074 58.100 -0.122 0.000 1.282 347 Y CB -0.056 38.350 38.460 -0.091 0.000 1.109 347 Y HN 0.130 nan 8.280 nan 0.000 0.526 348 G N -0.151 108.655 108.800 0.009 0.000 2.555 348 G HA2 -0.170 3.791 3.960 0.001 0.000 0.686 348 G HA3 -0.170 3.791 3.960 0.001 0.000 0.686 348 G C 0.591 175.568 174.900 0.128 0.000 1.275 348 G CA -0.275 44.835 45.100 0.017 0.000 0.871 348 G HN 0.315 nan 8.290 nan 0.000 0.603 349 S N -0.739 115.094 115.700 0.223 0.000 2.522 349 S HA 0.390 4.860 4.470 0.001 0.000 0.227 349 S C 2.089 176.779 174.600 0.150 0.000 0.986 349 S CA 1.304 59.649 58.200 0.242 0.000 0.929 349 S CB 0.155 63.555 63.200 0.332 0.000 0.769 349 S HN 2.836 nan 8.310 nan 0.000 0.529 350 G N 0.584 109.440 108.800 0.094 0.000 2.256 350 G HA2 0.168 4.128 3.960 0.001 0.000 0.272 350 G HA3 0.168 4.128 3.960 0.001 0.000 0.272 350 G C 0.989 175.925 174.900 0.060 0.000 1.076 350 G CA 0.379 45.516 45.100 0.061 0.000 0.882 350 G HN 1.768 nan 8.290 nan 0.000 0.497 351 G N -1.046 107.791 108.800 0.060 0.000 2.258 351 G HA2 -0.230 3.731 3.960 0.001 0.000 0.233 351 G HA3 -0.230 3.731 3.960 0.001 0.000 0.233 351 G C 0.287 175.213 174.900 0.045 0.000 1.006 351 G CA 0.981 46.111 45.100 0.050 0.000 0.620 351 G HN 1.455 nan 8.290 nan 0.000 0.511 352 E N 2.483 122.718 120.200 0.060 0.000 2.351 352 E HA 0.390 4.740 4.350 0.001 0.000 0.266 352 E C -2.153 174.412 176.600 -0.058 0.000 1.031 352 E CA -1.616 54.801 56.400 0.030 0.000 0.911 352 E CB 0.731 30.480 29.700 0.081 0.000 0.986 352 E HN 0.210 nan 8.360 nan 0.000 0.446 353 P HA 0.085 nan 4.420 nan 0.000 0.271 353 P C -0.856 176.160 177.300 -0.474 0.000 1.216 353 P CA 0.010 62.888 63.100 -0.371 0.000 0.776 353 P CB 0.505 31.800 31.700 -0.674 0.000 0.881 354 I N 3.052 123.356 120.570 -0.443 0.000 2.436 354 I HA 0.212 4.382 4.170 0.001 0.000 0.289 354 I C -0.296 175.719 176.117 -0.170 0.000 1.010 354 I CA -1.120 59.910 61.300 -0.450 0.000 1.098 354 I CB 1.103 38.870 38.000 -0.388 0.000 1.266 354 I HN 0.416 nan 8.210 nan 0.000 0.434 355 Y N 7.472 127.714 120.300 -0.095 0.000 2.496 355 Y HA 0.262 4.812 4.550 0.001 0.000 0.334 355 Y C -1.097 174.928 175.900 0.208 0.000 1.080 355 Y CA 0.060 58.237 58.100 0.128 0.000 1.355 355 Y CB 0.457 39.029 38.460 0.187 0.000 1.193 355 Y HN 0.421 nan 8.280 nan 0.000 0.523 356 F N 8.224 127.827 119.950 -0.579 0.000 2.612 356 F HA 0.489 5.017 4.527 0.001 0.000 0.332 356 F C -1.497 174.076 175.800 -0.378 0.000 1.167 356 F CA -1.185 56.580 58.000 -0.392 0.000 0.970 356 F CB 0.800 39.695 39.000 -0.176 0.000 1.234 356 F HN 0.588 nan 8.300 nan 0.000 0.453 357 R N 5.479 125.627 120.500 -0.586 0.000 2.562 357 R HA 0.764 5.105 4.340 0.001 0.000 0.298 357 R C -1.996 174.112 176.300 -0.320 0.000 0.961 357 R CA -0.729 55.072 56.100 -0.498 0.000 0.881 357 R CB 2.038 32.175 30.300 -0.272 0.000 1.159 357 R HN 0.712 nan 8.270 nan 0.000 0.450 358 Y N -1.985 118.024 120.300 -0.485 0.000 2.597 358 Y HA 0.526 5.076 4.550 0.001 0.000 0.340 358 Y C -1.359 174.466 175.900 -0.125 0.000 1.097 358 Y CA -1.255 56.688 58.100 -0.261 0.000 1.037 358 Y CB 1.871 40.166 38.460 -0.274 0.000 1.305 358 Y HN 0.488 nan 8.280 nan 0.000 0.463 359 T N 3.265 117.832 114.554 0.021 0.000 2.744 359 T HA 0.278 4.628 4.350 0.001 0.000 0.291 359 T C -0.333 174.429 174.700 0.103 0.000 0.957 359 T CA -0.708 61.382 62.100 -0.016 0.000 1.002 359 T CB 0.183 69.069 68.868 0.030 0.000 0.919 359 T HN 0.535 nan 8.240 nan 0.000 0.468 360 N N 2.220 120.953 118.700 0.055 0.000 2.326 360 N HA 0.071 4.812 4.740 0.001 0.000 0.239 360 N C 0.922 176.521 175.510 0.149 0.000 1.301 360 N CA -0.516 52.646 53.050 0.187 0.000 0.909 360 N CB 0.403 39.039 38.487 0.248 0.000 1.156 360 N HN 0.491 nan 8.380 nan 0.000 0.462 361 D N -0.089 120.361 120.400 0.083 0.000 2.221 361 D HA -0.121 4.520 4.640 0.001 0.000 0.204 361 D C 1.453 177.673 176.300 -0.134 0.000 0.982 361 D CA 1.158 55.112 54.000 -0.076 0.000 0.857 361 D CB -0.211 40.464 40.800 -0.209 0.000 0.934 361 D HN 0.469 nan 8.370 nan 0.000 0.475 362 F N -0.382 119.576 119.950 0.014 0.000 2.186 362 F HA 0.112 4.640 4.527 0.001 0.000 0.299 362 F C 2.289 178.087 175.800 -0.003 0.000 1.090 362 F CA 1.187 59.188 58.000 0.002 0.000 1.307 362 F CB -0.085 38.910 39.000 -0.009 0.000 1.019 362 F HN 0.142 nan 8.300 nan 0.000 0.489 363 G N -0.716 108.190 108.800 0.177 0.000 2.367 363 G HA2 -0.158 3.802 3.960 0.001 0.000 0.181 363 G HA3 -0.158 3.802 3.960 0.001 0.000 0.181 363 G C 0.059 174.987 174.900 0.046 0.000 1.000 363 G CA -0.110 45.043 45.100 0.087 0.000 0.693 363 G HN 0.433 nan 8.290 nan 0.000 0.480 364 Q N 0.835 120.660 119.800 0.043 0.000 2.293 364 Q HA 0.744 5.085 4.340 0.001 0.000 0.251 364 Q C 0.054 175.992 176.000 -0.103 0.000 0.930 364 Q CA -0.667 55.116 55.803 -0.033 0.000 0.893 364 Q CB 2.667 31.370 28.738 -0.058 0.000 1.215 364 Q HN 0.471 nan 8.270 nan 0.000 0.425 365 V N 2.466 122.298 119.914 -0.136 0.000 2.834 365 V HA 0.422 4.543 4.120 0.001 0.000 0.301 365 V C -0.591 175.305 176.094 -0.331 0.000 1.066 365 V CA -0.464 61.698 62.300 -0.229 0.000 1.052 365 V CB 1.354 33.087 31.823 -0.150 0.000 1.021 365 V HN 0.938 nan 8.190 nan 0.000 0.480 366 R N 3.718 123.884 120.500 -0.557 0.000 2.569 366 R HA 0.303 4.644 4.340 0.001 0.000 0.293 366 R C -0.760 175.238 176.300 -0.503 0.000 1.186 366 R CA -0.450 55.331 56.100 -0.532 0.000 0.956 366 R CB 1.119 31.049 30.300 -0.617 0.000 1.196 366 R HN 0.929 nan 8.270 nan 0.000 0.444 367 E N 3.787 123.829 120.200 -0.264 0.000 2.259 367 E HA 0.188 4.539 4.350 0.001 0.000 0.281 367 E C -0.801 175.740 176.600 -0.099 0.000 1.027 367 E CA -0.507 55.764 56.400 -0.215 0.000 0.838 367 E CB 2.190 31.865 29.700 -0.043 0.000 1.066 367 E HN 0.497 nan 8.360 nan 0.000 0.401 368 Q N 2.323 122.067 119.800 -0.094 0.000 3.156 368 Q HA 0.314 4.654 4.340 0.001 0.000 0.301 368 Q C -1.465 174.682 176.000 0.244 0.000 1.026 368 Q CA -1.010 54.855 55.803 0.105 0.000 0.827 368 Q CB 1.600 30.448 28.738 0.182 0.000 1.490 368 Q HN 0.749 nan 8.270 nan 0.000 0.492 369 Y N 1.021 121.396 120.300 0.124 0.000 3.034 369 Y HA 0.292 4.843 4.550 0.001 0.000 0.235 369 Y C -0.646 175.335 175.900 0.136 0.000 0.928 369 Y CA -0.581 57.605 58.100 0.142 0.000 1.130 369 Y CB 0.488 39.034 38.460 0.142 0.000 1.239 369 Y HN 0.518 nan 8.280 nan 0.000 0.667 370 I N 0.030 120.692 120.570 0.154 0.000 2.938 370 I HA 0.487 4.658 4.170 0.001 0.000 0.285 370 I C 0.497 176.631 176.117 0.027 0.000 1.182 370 I CA 0.053 61.422 61.300 0.116 0.000 1.388 370 I CB 1.308 39.413 38.000 0.174 0.000 1.390 370 I HN 0.324 nan 8.210 nan 0.000 0.600 371 A N 5.830 128.682 122.820 0.053 0.000 3.157 371 A HA 0.301 4.621 4.320 0.001 0.000 0.276 371 A C 0.018 177.670 177.584 0.112 0.000 1.524 371 A CA -0.545 51.520 52.037 0.047 0.000 1.236 371 A CB -1.038 17.986 19.000 0.039 0.000 1.173 371 A HN 0.657 nan 8.150 nan 0.000 0.595 372 F N 2.057 121.990 119.950 -0.028 0.000 2.216 372 F HA -0.262 4.265 4.527 0.001 0.000 0.442 372 F C 1.589 177.408 175.800 0.030 0.000 0.870 372 F CA 1.414 59.411 58.000 -0.004 0.000 1.084 372 F CB 0.537 39.529 39.000 -0.012 0.000 0.839 372 F HN 0.766 nan 8.300 nan 0.000 0.524 373 E N 4.605 124.512 120.200 -0.488 0.000 2.230 373 E HA 0.355 4.706 4.350 0.001 0.000 0.192 373 E C 1.133 177.391 176.600 -0.571 0.000 0.987 373 E CA 0.491 56.660 56.400 -0.384 0.000 0.841 373 E CB -0.095 29.478 29.700 -0.210 0.000 0.783 373 E HN 0.950 nan 8.360 nan 0.000 0.481 374 G N -0.332 107.701 108.800 -1.279 0.000 2.497 374 G HA2 -0.191 3.769 3.960 0.001 0.000 0.686 374 G HA3 -0.191 3.769 3.960 0.001 0.000 0.686 374 G C 0.262 174.825 174.900 -0.562 0.000 1.288 374 G CA -0.400 44.181 45.100 -0.865 0.000 0.899 374 G HN 0.045 nan 8.290 nan 0.000 0.608 375 V N 0.990 120.604 119.914 -0.499 0.000 2.591 375 V HA -0.006 4.115 4.120 0.001 0.000 0.249 375 V C 2.737 178.580 176.094 -0.418 0.000 1.053 375 V CA 1.741 63.631 62.300 -0.684 0.000 1.068 375 V CB -0.529 30.662 31.823 -1.054 0.000 0.689 375 V HN 0.643 nan 8.190 nan 0.000 0.462 376 I N 0.373 120.714 120.570 -0.381 0.000 2.193 376 I HA -0.037 4.133 4.170 0.001 0.000 0.240 376 I C 0.043 176.089 176.117 -0.119 0.000 1.084 376 I CA 1.311 62.457 61.300 -0.257 0.000 1.365 376 I CB -2.700 35.126 38.000 -0.290 0.000 1.064 376 I HN 0.324 nan 8.210 nan 0.000 0.410 377 P HA -0.137 nan 4.420 nan 0.000 0.219 377 P C 1.508 178.803 177.300 -0.009 0.000 1.146 377 P CA 1.369 64.449 63.100 -0.034 0.000 0.808 377 P CB -0.238 31.435 31.700 -0.045 0.000 0.779 378 N N -0.046 118.650 118.700 -0.006 0.000 2.069 378 N HA -0.130 4.611 4.740 0.001 0.000 0.191 378 N C 1.474 177.044 175.510 0.100 0.000 1.031 378 N CA 1.436 54.547 53.050 0.101 0.000 0.852 378 N CB -0.256 38.412 38.487 0.301 0.000 1.018 378 N HN -0.073 nan 8.380 nan 0.000 0.423 379 V N 1.061 121.008 119.914 0.056 0.000 2.427 379 V HA -0.147 3.973 4.120 0.001 0.000 0.248 379 V C 2.405 178.549 176.094 0.083 0.000 1.051 379 V CA 1.826 64.156 62.300 0.050 0.000 1.048 379 V CB -0.614 31.197 31.823 -0.019 0.000 0.666 379 V HN 0.364 nan 8.190 nan 0.000 0.456 380 E N 0.719 120.957 120.200 0.062 0.000 2.072 380 E HA -0.208 4.143 4.350 0.001 0.000 0.191 380 E C 2.377 179.061 176.600 0.141 0.000 0.985 380 E CA 1.245 57.708 56.400 0.104 0.000 0.801 380 E CB -0.316 29.420 29.700 0.061 0.000 0.750 380 E HN 0.295 nan 8.360 nan 0.000 0.452 381 R N 0.467 121.023 120.500 0.093 0.000 2.090 381 R HA 0.017 4.358 4.340 0.001 0.000 0.228 381 R C 2.315 178.662 176.300 0.079 0.000 1.110 381 R CA 1.247 57.392 56.100 0.075 0.000 0.973 381 R CB -0.275 30.057 30.300 0.054 0.000 0.869 381 R HN 0.163 nan 8.270 nan 0.000 0.440 382 R N -0.706 119.854 120.500 0.099 0.000 2.115 382 R HA -0.149 4.191 4.340 0.001 0.000 0.226 382 R C 2.105 178.465 176.300 0.100 0.000 1.100 382 R CA 1.233 57.386 56.100 0.089 0.000 0.980 382 R CB -0.289 30.063 30.300 0.087 0.000 0.875 382 R HN 0.226 nan 8.270 nan 0.000 0.445 383 Y N 1.108 121.418 120.300 0.016 0.000 2.163 383 Y HA -0.170 4.381 4.550 0.001 0.000 0.288 383 Y C 2.446 178.352 175.900 0.011 0.000 1.136 383 Y CA 1.632 59.739 58.100 0.011 0.000 1.147 383 Y CB -0.272 38.196 38.460 0.014 0.000 0.987 383 Y HN -0.110 nan 8.280 nan 0.000 0.509 384 R N 0.728 121.177 120.500 -0.085 0.000 2.082 384 R HA -0.208 4.132 4.340 0.001 0.000 0.234 384 R C 2.039 178.246 176.300 -0.155 0.000 1.136 384 R CA 2.367 58.368 56.100 -0.164 0.000 0.935 384 R CB -0.442 29.864 30.300 0.009 0.000 0.842 384 R HN 0.531 nan 8.270 nan 0.000 0.430 385 E N -0.200 119.959 120.200 -0.068 0.000 2.204 385 E HA -0.058 4.292 4.350 0.001 0.000 0.194 385 E C 0.174 176.741 176.600 -0.055 0.000 0.989 385 E CA 0.885 57.258 56.400 -0.045 0.000 0.824 385 E CB 0.031 29.726 29.700 -0.009 0.000 0.756 385 E HN 0.330 nan 8.360 nan 0.000 0.477 386 T N 0.142 114.653 114.554 -0.072 0.000 2.913 386 T HA 0.102 4.452 4.350 0.001 0.000 0.297 386 T C 0.367 175.021 174.700 -0.077 0.000 1.029 386 T CA -0.104 61.965 62.100 -0.052 0.000 1.104 386 T CB 1.477 70.327 68.868 -0.030 0.000 0.964 386 T HN -0.128 nan 8.240 nan 0.000 0.532 387 S N 2.040 117.716 115.700 -0.039 0.000 2.383 387 S HA 0.419 4.889 4.470 0.001 0.000 0.227 387 S C -0.190 174.405 174.600 -0.007 0.000 1.261 387 S CA -0.621 57.558 58.200 -0.036 0.000 1.262 387 S CB -0.254 62.932 63.200 -0.024 0.000 0.992 387 S HN 0.623 nan 8.310 nan 0.000 0.491 388 S N 0.581 116.282 115.700 0.003 0.000 2.557 388 S HA 0.397 4.867 4.470 0.001 0.000 0.291 388 S C 0.032 174.666 174.600 0.058 0.000 1.116 388 S CA -0.632 57.599 58.200 0.051 0.000 0.992 388 S CB 1.177 64.438 63.200 0.102 0.000 1.028 388 S HN 0.409 nan 8.310 nan 0.000 0.484 389 D N 2.627 123.074 120.400 0.078 0.000 2.363 389 D HA 0.026 4.667 4.640 0.001 0.000 0.226 389 D C 0.629 177.009 176.300 0.132 0.000 1.020 389 D CA 0.713 54.762 54.000 0.081 0.000 0.892 389 D CB 0.100 40.940 40.800 0.067 0.000 0.900 389 D HN 0.715 nan 8.370 nan 0.000 0.531 390 Y N 0.342 120.653 120.300 0.020 0.000 2.506 390 Y HA 0.058 4.608 4.550 0.001 0.000 0.287 390 Y C 1.864 177.787 175.900 0.037 0.000 1.147 390 Y CA 0.282 58.397 58.100 0.024 0.000 1.241 390 Y CB 0.003 38.473 38.460 0.017 0.000 1.279 390 Y HN -0.249 nan 8.280 nan 0.000 0.527 391 I N 1.178 121.689 120.570 -0.099 0.000 2.252 391 I HA -0.206 3.965 4.170 0.001 0.000 0.245 391 I C 2.279 178.348 176.117 -0.079 0.000 1.102 391 I CA 1.350 62.543 61.300 -0.178 0.000 1.385 391 I CB -1.154 36.846 38.000 -0.001 0.000 1.064 391 I HN 0.307 nan 8.210 nan 0.000 0.414 392 R N 0.884 121.389 120.500 0.009 0.000 2.083 392 R HA -0.190 4.151 4.340 0.001 0.000 0.237 392 R C 2.065 178.442 176.300 0.128 0.000 1.137 392 R CA 1.474 57.664 56.100 0.150 0.000 0.951 392 R CB -0.361 30.020 30.300 0.135 0.000 0.851 392 R HN 0.483 nan 8.270 nan 0.000 0.434 393 E N 0.351 120.565 120.200 0.023 0.000 2.267 393 E HA -0.140 4.211 4.350 0.001 0.000 0.197 393 E C 0.706 177.256 176.600 -0.083 0.000 0.998 393 E CA 0.658 57.044 56.400 -0.023 0.000 0.830 393 E CB 0.115 29.802 29.700 -0.022 0.000 0.751 393 E HN 0.281 nan 8.360 nan 0.000 0.491 397 K N 0.412 120.616 120.400 -0.326 0.000 2.442 397 K HA 0.040 4.361 4.320 0.001 0.000 0.198 397 K C 0.371 176.567 176.600 -0.673 0.000 1.042 397 K CA 1.051 57.013 56.287 -0.541 0.000 0.958 397 K CB -0.006 32.046 32.500 -0.748 0.000 0.766 397 K HN 0.182 nan 8.250 nan 0.000 0.474 401 E N 0.896 121.067 120.200 -0.049 0.000 2.366 401 E HA 0.468 4.819 4.350 0.001 0.000 0.266 401 E C -0.749 175.827 176.600 -0.040 0.000 1.051 401 E CA -0.328 56.046 56.400 -0.043 0.000 0.884 401 E CB 0.642 30.320 29.700 -0.037 0.000 1.006 401 E HN 0.428 nan 8.360 nan 0.000 0.417 402 Q N 1.825 121.600 119.800 -0.040 0.000 2.331 402 Q HA 0.314 4.655 4.340 0.001 0.000 0.272 402 Q C -2.519 173.452 176.000 -0.049 0.000 1.062 402 Q CA -2.248 53.531 55.803 -0.040 0.000 0.806 402 Q CB 1.979 30.697 28.738 -0.034 0.000 1.312 402 Q HN 0.359 nan 8.270 nan 0.000 0.431 403 P HA -0.032 nan 4.420 nan 0.000 0.263 403 P C 0.185 177.443 177.300 -0.070 0.000 1.195 403 P CA -0.026 63.024 63.100 -0.084 0.000 0.762 403 P CB 0.336 31.975 31.700 -0.102 0.000 0.799 404 C N 7.616 126.873 119.300 -0.072 0.000 2.590 404 C HA 0.057 4.517 4.460 0.001 0.000 0.411 404 C C -0.393 174.570 174.990 -0.045 0.000 1.420 404 C CA -1.177 57.811 59.018 -0.049 0.000 1.643 404 C CB -0.768 26.945 27.740 -0.044 0.000 2.528 404 C HN 0.518 nan 8.230 nan 0.000 0.606 405 P HA -0.047 nan 4.420 nan 0.000 0.221 405 P C 1.402 178.696 177.300 -0.009 0.000 1.150 405 P CA 1.656 64.744 63.100 -0.019 0.000 0.800 405 P CB -0.039 31.654 31.700 -0.012 0.000 0.787 406 T N 0.815 115.366 114.554 -0.005 0.000 2.706 406 T HA -0.088 4.262 4.350 0.001 0.000 0.255 406 T C 1.841 176.551 174.700 0.015 0.000 1.048 406 T CA 1.863 63.967 62.100 0.006 0.000 1.153 406 T CB -1.016 67.857 68.868 0.009 0.000 0.865 406 T HN 0.269 nan 8.240 nan 0.000 0.414 407 C N 1.961 121.268 119.300 0.012 0.000 2.573 407 C HA 0.252 4.712 4.460 0.001 0.000 0.273 407 C C 1.097 176.101 174.990 0.024 0.000 1.346 407 C CA -0.696 58.344 59.018 0.037 0.000 1.702 407 C CB -1.393 26.367 27.740 0.033 0.000 1.751 407 C HN 0.522 nan 8.230 nan 0.000 0.583 408 Q N 0.333 120.112 119.800 -0.034 0.000 2.422 408 Q HA -0.245 4.095 4.340 0.001 0.000 0.245 408 Q C 1.346 177.115 176.000 -0.385 0.000 0.922 408 Q CA 1.701 57.421 55.803 -0.138 0.000 1.192 408 Q CB -2.176 26.550 28.738 -0.019 0.000 1.641 408 Q HN 1.716 nan 8.270 nan 0.000 0.552 409 G N -1.497 107.140 108.800 -0.273 0.000 2.176 409 G HA2 -0.368 3.592 3.960 0.001 0.000 0.253 409 G HA3 -0.368 3.592 3.960 0.001 0.000 0.253 409 G C 0.380 175.093 174.900 -0.311 0.000 0.979 409 G CA 0.426 45.344 45.100 -0.303 0.000 0.641 409 G HN 0.476 nan 8.290 nan 0.000 0.530 410 Y N 0.135 120.423 120.300 -0.020 0.000 2.511 410 Y HA 0.275 4.826 4.550 0.001 0.000 0.279 410 Y C 1.994 177.867 175.900 -0.044 0.000 1.157 410 Y CA 0.543 58.640 58.100 -0.005 0.000 1.300 410 Y CB 0.242 38.741 38.460 0.065 0.000 1.052 410 Y HN 0.313 nan 8.280 nan 0.000 0.529 411 R N -0.974 119.546 120.500 0.033 0.000 3.994 411 R HA -0.198 4.142 4.340 0.001 0.000 0.403 411 R C -0.652 175.713 176.300 0.108 0.000 1.126 411 R CA 0.811 56.899 56.100 -0.019 0.000 1.143 411 R CB -2.428 27.701 30.300 -0.284 0.000 1.695 411 R HN 0.266 nan 8.270 nan 0.000 0.555 412 L N 0.233 121.537 121.223 0.135 0.000 2.256 412 L HA 0.484 4.825 4.340 0.001 0.000 0.261 412 L C 0.620 177.530 176.870 0.066 0.000 1.022 412 L CA -1.276 53.644 54.840 0.133 0.000 0.828 412 L CB 1.216 43.373 42.059 0.164 0.000 1.374 412 L HN -0.076 nan 8.230 nan 0.000 0.436 413 K N 0.071 120.492 120.400 0.034 0.000 2.285 413 K HA 0.006 4.327 4.320 0.001 0.000 0.255 413 K C 0.647 177.252 176.600 0.008 0.000 1.000 413 K CA 0.086 56.378 56.287 0.007 0.000 0.887 413 K CB 0.536 33.017 32.500 -0.030 0.000 0.997 413 K HN 0.412 nan 8.250 nan 0.000 0.510 414 K N 1.264 121.674 120.400 0.017 0.000 2.103 414 K HA -0.130 4.191 4.320 0.001 0.000 0.204 414 K C 1.645 178.273 176.600 0.048 0.000 1.052 414 K CA 1.266 57.568 56.287 0.025 0.000 0.945 414 K CB 0.151 32.674 32.500 0.038 0.000 0.722 414 K HN 0.559 nan 8.250 nan 0.000 0.443 415 E N 0.396 120.636 120.200 0.067 0.000 2.482 415 E HA -0.025 4.326 4.350 0.001 0.000 0.196 415 E C 1.231 177.850 176.600 0.033 0.000 1.047 415 E CA 0.685 57.149 56.400 0.106 0.000 0.869 415 E CB 0.207 29.950 29.700 0.072 0.000 0.836 415 E HN 0.008 nan 8.360 nan 0.000 0.520 416 S N 0.941 116.631 115.700 -0.017 0.000 2.425 416 S HA 0.128 4.599 4.470 0.001 0.000 0.225 416 S C 1.916 176.566 174.600 0.083 0.000 1.024 416 S CA 0.275 58.455 58.200 -0.033 0.000 0.951 416 S CB -0.056 63.103 63.200 -0.068 0.000 0.796 416 S HN 0.227 nan 8.310 nan 0.000 0.498 417 L N 0.992 122.195 121.223 -0.032 0.000 2.554 417 L HA 0.183 4.524 4.340 0.001 0.000 0.226 417 L C 2.318 179.149 176.870 -0.064 0.000 1.137 417 L CA 0.365 55.072 54.840 -0.222 0.000 0.863 417 L CB -0.454 41.321 42.059 -0.474 0.000 0.985 417 L HN 0.270 nan 8.230 nan 0.000 0.451 418 A N -0.253 122.605 122.820 0.063 0.000 2.168 418 A HA 0.072 4.392 4.320 0.001 0.000 0.215 418 A C 1.004 178.701 177.584 0.187 0.000 1.152 418 A CA 0.363 52.478 52.037 0.131 0.000 0.716 418 A CB -0.166 18.953 19.000 0.198 0.000 0.794 418 A HN 0.137 nan 8.150 nan 0.000 0.465 419 V N 2.214 122.278 119.914 0.251 0.000 2.364 419 V HA 0.439 4.560 4.120 0.001 0.000 0.272 419 V C -0.437 175.906 176.094 0.414 0.000 1.036 419 V CA -0.570 61.925 62.300 0.326 0.000 0.880 419 V CB 0.505 32.613 31.823 0.476 0.000 0.991 419 V HN 0.454 nan 8.190 nan 0.000 0.460 420 L N 4.531 125.941 121.223 0.311 0.000 2.333 420 L HA 0.812 5.152 4.340 0.001 0.000 0.269 420 L C 0.268 177.186 176.870 0.080 0.000 1.010 420 L CA -0.167 54.864 54.840 0.318 0.000 0.818 420 L CB 1.324 43.513 42.059 0.217 0.000 1.306 420 L HN 0.196 nan 8.230 nan 0.000 0.430 421 V N 0.911 120.781 119.914 -0.073 0.000 2.785 421 V HA 0.320 4.440 4.120 0.001 0.000 0.226 421 V C 1.466 177.521 176.094 -0.066 0.000 1.127 421 V CA 1.030 63.171 62.300 -0.265 0.000 1.193 421 V CB -0.143 31.300 31.823 -0.634 0.000 0.926 421 V HN 0.984 nan 8.190 nan 0.000 0.507 422 G N -1.043 107.794 108.800 0.061 0.000 3.882 422 G HA2 0.455 4.416 3.960 0.001 0.000 0.283 422 G HA3 0.455 4.416 3.960 0.001 0.000 0.283 422 G C 1.043 176.018 174.900 0.125 0.000 1.283 422 G CA 0.637 45.772 45.100 0.058 0.000 1.402 422 G HN 1.054 nan 8.290 nan 0.000 0.618 423 G N 0.240 109.090 108.800 0.083 0.000 2.284 423 G HA2 -0.257 3.703 3.960 0.001 0.000 0.247 423 G HA3 -0.257 3.703 3.960 0.001 0.000 0.247 423 G C 0.566 175.508 174.900 0.069 0.000 1.012 423 G CA 0.286 45.431 45.100 0.074 0.000 0.618 423 G HN 0.520 nan 8.290 nan 0.000 0.521 424 K N 1.078 121.522 120.400 0.073 0.000 2.166 424 K HA 0.626 4.946 4.320 0.001 0.000 0.245 424 K C 0.304 176.943 176.600 0.065 0.000 0.967 424 K CA -0.411 55.841 56.287 -0.058 0.000 0.863 424 K CB 1.376 33.738 32.500 -0.231 0.000 1.107 424 K HN 0.720 nan 8.250 nan 0.000 0.436 425 H N -1.574 117.513 119.070 0.028 0.000 2.523 425 H HA 0.276 4.833 4.556 0.001 0.000 0.345 425 H C 1.192 176.420 175.328 -0.165 0.000 1.261 425 H CA -0.776 55.306 56.048 0.056 0.000 1.343 425 H CB 0.423 30.145 29.762 -0.066 0.000 1.650 425 H HN 0.464 nan 8.280 nan 0.000 0.591 426 I N 0.704 120.995 120.570 -0.465 0.000 2.236 426 I HA -0.179 3.992 4.170 0.001 0.000 0.249 426 I C 2.216 178.241 176.117 -0.152 0.000 1.102 426 I CA 2.364 63.165 61.300 -0.832 0.000 1.365 426 I CB -0.909 36.500 38.000 -0.985 0.000 1.051 426 I HN 0.928 nan 8.210 nan 0.000 0.420 427 G N -0.744 108.113 108.800 0.097 0.000 2.403 427 G HA2 -0.174 3.786 3.960 0.001 0.000 0.216 427 G HA3 -0.174 3.786 3.960 0.001 0.000 0.216 427 G C 1.502 176.298 174.900 -0.173 0.000 1.154 427 G CA 0.620 45.742 45.100 0.037 0.000 0.784 427 G HN 0.520 nan 8.290 nan 0.000 0.538 428 E N 0.180 120.024 120.200 -0.594 0.000 2.106 428 E HA -0.059 4.292 4.350 0.001 0.000 0.192 428 E C 2.658 179.089 176.600 -0.282 0.000 0.984 428 E CA 0.801 56.910 56.400 -0.485 0.000 0.806 428 E CB -0.061 29.212 29.700 -0.712 0.000 0.750 428 E HN 0.330 nan 8.360 nan 0.000 0.458 429 V N 1.221 120.970 119.914 -0.276 0.000 2.453 429 V HA -0.188 3.932 4.120 0.001 0.000 0.247 429 V C 2.256 178.321 176.094 -0.049 0.000 1.048 429 V CA 1.908 64.056 62.300 -0.253 0.000 1.049 429 V CB -0.587 31.135 31.823 -0.167 0.000 0.672 429 V HN 0.285 nan 8.190 nan 0.000 0.457 430 T N 0.214 114.801 114.554 0.055 0.000 2.867 430 T HA 0.071 4.422 4.350 0.001 0.000 0.268 430 T C 1.102 175.863 174.700 0.102 0.000 1.057 430 T CA 0.976 63.170 62.100 0.157 0.000 1.136 430 T CB -0.226 68.810 68.868 0.280 0.000 0.874 430 T HN 0.581 nan 8.240 nan 0.000 0.466 434 V N 1.540 121.463 119.914 0.016 0.000 2.407 434 V HA -0.194 3.926 4.120 0.001 0.000 0.248 434 V C 3.081 179.204 176.094 0.049 0.000 1.055 434 V CA 2.735 65.052 62.300 0.029 0.000 1.049 434 V CB -1.909 29.910 31.823 -0.006 0.000 0.662 434 V HN 1.113 nan 8.190 nan 0.000 0.455 435 T N -1.143 113.436 114.554 0.042 0.000 2.614 435 T HA -0.248 4.103 4.350 0.001 0.000 0.263 435 T C 1.708 176.444 174.700 0.062 0.000 1.055 435 T CA 1.645 63.776 62.100 0.050 0.000 1.162 435 T CB -0.599 68.298 68.868 0.048 0.000 0.863 435 T HN 0.537 nan 8.240 nan 0.000 0.414 436 E N 1.836 122.067 120.200 0.052 0.000 2.108 436 E HA -0.188 4.163 4.350 0.001 0.000 0.203 436 E C 2.554 179.196 176.600 0.070 0.000 1.022 436 E CA 1.369 57.798 56.400 0.049 0.000 0.823 436 E CB -0.455 29.257 29.700 0.021 0.000 0.744 436 E HN 0.697 nan 8.360 nan 0.000 0.456 437 A N 0.545 123.406 122.820 0.069 0.000 2.066 437 A HA -0.094 4.226 4.320 0.001 0.000 0.218 437 A C 2.047 179.786 177.584 0.260 0.000 1.157 437 A CA 0.656 52.760 52.037 0.112 0.000 0.670 437 A CB -0.210 18.863 19.000 0.122 0.000 0.804 437 A HN 0.177 nan 8.150 nan 0.000 0.453 438 L N -0.596 120.743 121.223 0.193 0.000 2.131 438 L HA 0.116 4.456 4.340 0.001 0.000 0.206 438 L C 2.606 179.571 176.870 0.158 0.000 1.087 438 L CA 1.836 56.790 54.840 0.189 0.000 0.767 438 L CB -0.676 41.441 42.059 0.097 0.000 0.917 438 L HN 0.302 nan 8.230 nan 0.000 0.441 439 A N -1.152 121.739 122.820 0.118 0.000 1.969 439 A HA -0.228 4.092 4.320 0.001 0.000 0.218 439 A C 2.262 179.891 177.584 0.074 0.000 1.169 439 A CA 1.552 53.637 52.037 0.080 0.000 0.635 439 A CB -1.062 17.976 19.000 0.064 0.000 0.810 439 A HN 0.523 nan 8.150 nan 0.000 0.445 440 F N -0.505 119.401 119.950 -0.073 0.000 2.102 440 F HA -0.144 4.383 4.527 0.001 0.000 0.298 440 F C 1.763 177.427 175.800 -0.227 0.000 1.105 440 F CA 1.719 59.603 58.000 -0.193 0.000 1.239 440 F CB -0.236 38.569 39.000 -0.326 0.000 0.991 440 F HN 0.215 nan 8.300 nan 0.000 0.474 441 F N 0.104 120.062 119.950 0.014 0.000 2.604 441 F HA -0.104 4.423 4.527 0.001 0.000 0.298 441 F C 2.082 177.797 175.800 -0.141 0.000 1.131 441 F CA 0.894 58.832 58.000 -0.103 0.000 1.457 441 F CB -0.344 38.668 39.000 0.020 0.000 1.095 441 F HN 0.070 nan 8.300 nan 0.000 0.574 442 D N -0.175 120.241 120.400 0.026 0.000 2.162 442 D HA -0.055 4.586 4.640 0.001 0.000 0.205 442 D C 2.370 178.619 176.300 -0.084 0.000 0.964 442 D CA 1.300 55.291 54.000 -0.015 0.000 0.847 442 D CB -0.453 40.346 40.800 -0.002 0.000 0.988 442 D HN 0.140 nan 8.370 nan 0.000 0.480 443 G N 0.004 108.716 108.800 -0.148 0.000 2.920 443 G HA2 0.048 4.008 3.960 0.001 0.000 0.208 443 G HA3 0.048 4.008 3.960 0.001 0.000 0.208 443 G C 0.445 175.176 174.900 -0.282 0.000 1.159 443 G CA -0.299 44.692 45.100 -0.182 0.000 0.784 443 G HN 0.244 nan 8.290 nan 0.000 0.535 444 L N 1.116 122.117 121.223 -0.370 0.000 2.433 444 L HA 0.294 4.634 4.340 0.001 0.000 0.275 444 L C 0.161 176.909 176.870 -0.203 0.000 1.128 444 L CA -0.389 54.211 54.840 -0.402 0.000 0.875 444 L CB 0.600 42.416 42.059 -0.405 0.000 1.171 444 L HN 0.125 nan 8.230 nan 0.000 0.463 445 E N 4.999 125.096 120.200 -0.172 0.000 2.028 445 E HA 0.384 4.734 4.350 0.001 0.000 0.266 445 E C -1.216 175.333 176.600 -0.085 0.000 0.962 445 E CA -0.641 55.696 56.400 -0.106 0.000 0.784 445 E CB 0.432 30.079 29.700 -0.088 0.000 1.114 445 E HN 0.563 nan 8.360 nan 0.000 0.414 446 L N 2.259 123.440 121.223 -0.070 0.000 2.376 446 L HA 0.447 4.787 4.340 0.001 0.000 0.267 446 L C 1.081 177.927 176.870 -0.039 0.000 1.035 446 L CA -0.611 54.197 54.840 -0.054 0.000 0.800 446 L CB 1.136 43.165 42.059 -0.050 0.000 1.290 446 L HN 0.488 nan 8.230 nan 0.000 0.462 447 T N -3.684 110.852 114.554 -0.030 0.000 2.833 447 T HA 0.241 4.591 4.350 0.001 0.000 0.292 447 T C 0.869 175.557 174.700 -0.020 0.000 1.031 447 T CA -0.495 61.592 62.100 -0.021 0.000 0.937 447 T CB 0.581 69.440 68.868 -0.014 0.000 1.256 447 T HN 0.498 nan 8.240 nan 0.000 0.551 448 E N 0.452 120.643 120.200 -0.015 0.000 2.046 448 E HA -0.057 4.293 4.350 0.001 0.000 0.190 448 E C 2.133 178.726 176.600 -0.011 0.000 0.982 448 E CA 1.081 57.473 56.400 -0.013 0.000 0.800 448 E CB -0.367 29.327 29.700 -0.010 0.000 0.756 448 E HN 0.515 nan 8.360 nan 0.000 0.449 449 K N 1.360 121.756 120.400 -0.007 0.000 2.032 449 K HA -0.135 4.185 4.320 0.001 0.000 0.209 449 K C 2.105 178.701 176.600 -0.006 0.000 1.048 449 K CA 1.336 57.621 56.287 -0.003 0.000 0.927 449 K CB -0.232 32.270 32.500 0.003 0.000 0.712 449 K HN 0.189 nan 8.250 nan 0.000 0.441 450 E N -0.234 119.960 120.200 -0.011 0.000 2.028 450 E HA -0.119 4.231 4.350 0.001 0.000 0.191 450 E C 2.026 178.612 176.600 -0.023 0.000 0.988 450 E CA 1.098 57.487 56.400 -0.018 0.000 0.799 450 E CB -0.176 29.507 29.700 -0.027 0.000 0.755 450 E HN 0.335 nan 8.360 nan 0.000 0.447 451 A N 1.341 124.146 122.820 -0.025 0.000 2.019 451 A HA -0.205 4.115 4.320 0.001 0.000 0.219 451 A C 2.137 179.707 177.584 -0.024 0.000 1.164 451 A CA 1.164 53.185 52.037 -0.028 0.000 0.644 451 A CB -0.332 18.651 19.000 -0.029 0.000 0.805 451 A HN 0.138 nan 8.150 nan 0.000 0.449 452 Q N -0.150 119.640 119.800 -0.018 0.000 2.230 452 Q HA -0.042 4.299 4.340 0.001 0.000 0.202 452 Q C 1.753 177.746 176.000 -0.011 0.000 0.963 452 Q CA 1.203 56.997 55.803 -0.014 0.000 0.866 452 Q CB -0.119 28.613 28.738 -0.009 0.000 0.931 452 Q HN 0.743 nan 8.270 nan 0.000 0.452 453 I N 0.034 120.598 120.570 -0.010 0.000 2.364 453 I HA -0.064 4.106 4.170 0.001 0.000 0.241 453 I C 2.076 178.187 176.117 -0.010 0.000 1.082 453 I CA 0.844 62.141 61.300 -0.004 0.000 1.401 453 I CB -0.323 37.678 38.000 0.002 0.000 1.126 453 I HN 0.041 nan 8.210 nan 0.000 0.429 454 A N 1.494 124.302 122.820 -0.020 0.000 2.239 454 A HA -0.097 4.223 4.320 0.001 0.000 0.209 454 A C 2.147 179.704 177.584 -0.046 0.000 1.171 454 A CA 0.546 52.565 52.037 -0.031 0.000 0.768 454 A CB -0.801 18.175 19.000 -0.039 0.000 0.790 454 A HN 0.481 nan 8.150 nan 0.000 0.478 455 R N -0.136 120.341 120.500 -0.039 0.000 2.189 455 R HA -0.231 4.109 4.340 0.001 0.000 0.252 455 R C 1.410 177.670 176.300 -0.067 0.000 1.134 455 R CA 2.357 58.428 56.100 -0.048 0.000 0.954 455 R CB -0.892 29.388 30.300 -0.034 0.000 0.890 455 R HN 0.448 nan 8.270 nan 0.000 0.443 456 L N -0.434 120.754 121.223 -0.059 0.000 2.307 456 L HA 0.071 4.411 4.340 0.001 0.000 0.211 456 L C 2.244 179.042 176.870 -0.121 0.000 1.099 456 L CA 0.131 54.924 54.840 -0.078 0.000 0.816 456 L CB -0.135 41.898 42.059 -0.044 0.000 0.952 456 L HN 0.090 nan 8.230 nan 0.000 0.455 457 I N -0.088 120.429 120.570 -0.088 0.000 2.252 457 I HA -0.238 3.933 4.170 0.001 0.000 0.245 457 I C 2.301 178.299 176.117 -0.198 0.000 1.102 457 I CA 1.478 62.721 61.300 -0.095 0.000 1.385 457 I CB -0.434 37.565 38.000 -0.002 0.000 1.064 457 I HN 0.096 nan 8.210 nan 0.000 0.414 458 L N -0.199 120.912 121.223 -0.186 0.000 2.027 458 L HA -0.158 4.183 4.340 0.001 0.000 0.206 458 L C 2.730 179.422 176.870 -0.297 0.000 1.074 458 L CA 1.251 55.931 54.840 -0.267 0.000 0.745 458 L CB -0.504 41.456 42.059 -0.165 0.000 0.898 458 L HN 0.182 nan 8.230 nan 0.000 0.433 459 R N 0.084 120.451 120.500 -0.221 0.000 2.152 459 R HA -0.214 4.126 4.340 0.001 0.000 0.232 459 R C 2.118 178.257 176.300 -0.268 0.000 1.117 459 R CA 1.379 57.353 56.100 -0.209 0.000 0.981 459 R CB 0.069 30.280 30.300 -0.149 0.000 0.870 459 R HN 0.222 nan 8.270 nan 0.000 0.451 460 E N 0.711 120.708 120.200 -0.339 0.000 2.047 460 E HA -0.118 4.232 4.350 0.001 0.000 0.191 460 E C 1.777 178.120 176.600 -0.427 0.000 0.987 460 E CA 1.372 57.491 56.400 -0.468 0.000 0.799 460 E CB -0.110 29.082 29.700 -0.848 0.000 0.752 460 E HN 0.397 nan 8.360 nan 0.000 0.449 461 I N 0.057 120.379 120.570 -0.415 0.000 2.394 461 I HA -0.188 3.982 4.170 0.001 0.000 0.251 461 I C 2.642 178.564 176.117 -0.325 0.000 1.136 461 I CA 0.886 61.973 61.300 -0.355 0.000 1.425 461 I CB -0.222 37.444 38.000 -0.557 0.000 1.079 461 I HN 0.070 nan 8.210 nan 0.000 0.425 462 R N 0.822 121.118 120.500 -0.341 0.000 2.115 462 R HA -0.140 4.200 4.340 0.001 0.000 0.226 462 R C 1.583 177.700 176.300 -0.304 0.000 1.100 462 R CA 1.464 57.412 56.100 -0.254 0.000 0.980 462 R CB 0.025 30.201 30.300 -0.208 0.000 0.875 462 R HN 0.273 nan 8.270 nan 0.000 0.445 463 D N -0.058 120.106 120.400 -0.393 0.000 2.137 463 D HA -0.076 4.564 4.640 0.001 0.000 0.202 463 D C 1.925 177.617 176.300 -1.013 0.000 0.970 463 D CA 0.940 54.521 54.000 -0.697 0.000 0.837 463 D CB -0.023 40.449 40.800 -0.547 0.000 0.981 463 D HN 0.047 nan 8.370 nan 0.000 0.475 464 R N 0.045 120.275 120.500 -0.450 0.000 2.075 464 R HA -0.016 4.325 4.340 0.001 0.000 0.232 464 R C 2.063 178.303 176.300 -0.100 0.000 1.126 464 R CA 0.498 56.524 56.100 -0.123 0.000 0.963 464 R CB -0.615 29.712 30.300 0.046 0.000 0.858 464 R HN 0.101 nan 8.270 nan 0.000 0.435 465 L N -0.476 120.673 121.223 -0.123 0.000 2.046 465 L HA -0.035 4.306 4.340 0.001 0.000 0.208 465 L C 2.287 179.102 176.870 -0.091 0.000 1.077 465 L CA 2.219 57.026 54.840 -0.054 0.000 0.747 465 L CB -1.349 40.706 42.059 -0.007 0.000 0.896 465 L HN 0.345 nan 8.230 nan 0.000 0.432 466 G N -1.308 107.362 108.800 -0.217 0.000 2.421 466 G HA2 -0.264 3.696 3.960 0.001 0.000 0.216 466 G HA3 -0.264 3.696 3.960 0.001 0.000 0.216 466 G C 1.649 176.477 174.900 -0.120 0.000 1.171 466 G CA 0.718 45.690 45.100 -0.214 0.000 0.775 466 G HN 0.348 nan 8.290 nan 0.000 0.543 467 F N 0.547 120.485 119.950 -0.021 0.000 2.069 467 F HA -0.032 4.495 4.527 0.001 0.000 0.298 467 F C 2.713 178.497 175.800 -0.025 0.000 1.113 467 F CA 0.449 58.434 58.000 -0.025 0.000 1.214 467 F CB -0.395 38.588 39.000 -0.029 0.000 0.978 467 F HN 0.004 nan 8.300 nan 0.000 0.474 468 L N -0.012 121.305 121.223 0.156 0.000 2.013 468 L HA -0.322 4.019 4.340 0.001 0.000 0.212 468 L C 2.629 179.515 176.870 0.026 0.000 1.073 468 L CA 1.690 56.567 54.840 0.061 0.000 0.753 468 L CB -0.791 41.282 42.059 0.022 0.000 0.890 468 L HN 0.301 nan 8.230 nan 0.000 0.432 469 Q N -0.021 119.791 119.800 0.020 0.000 2.124 469 Q HA -0.217 4.124 4.340 0.001 0.000 0.202 469 Q C 1.951 177.971 176.000 0.033 0.000 0.977 469 Q CA 1.665 57.478 55.803 0.016 0.000 0.850 469 Q CB 0.116 28.859 28.738 0.008 0.000 0.901 469 Q HN 0.510 nan 8.270 nan 0.000 0.429 470 N N -0.241 118.492 118.700 0.054 0.000 2.106 470 N HA -0.121 4.620 4.740 0.001 0.000 0.188 470 N C 1.565 177.103 175.510 0.046 0.000 1.029 470 N CA 1.373 54.460 53.050 0.061 0.000 0.848 470 N CB -0.299 38.248 38.487 0.099 0.000 1.007 470 N HN 0.092 nan 8.380 nan 0.000 0.423 471 V N 0.000 119.941 119.914 0.045 0.000 3.444 471 V HA 0.111 4.232 4.120 0.001 0.000 0.271 471 V C 1.346 177.452 176.094 0.020 0.000 1.188 471 V CA 0.895 63.208 62.300 0.022 0.000 1.168 471 V CB -1.044 30.786 31.823 0.011 0.000 0.810 471 V HN 0.522 nan 8.190 nan 0.000 0.500 472 G N 0.436 109.254 108.800 0.030 0.000 2.132 472 G HA2 -0.193 3.767 3.960 0.001 0.000 0.228 472 G HA3 -0.193 3.767 3.960 0.001 0.000 0.228 472 G C 0.228 175.171 174.900 0.071 0.000 1.000 472 G CA 0.100 45.235 45.100 0.058 0.000 0.693 472 G HN 0.341 nan 8.290 nan 0.000 0.515 473 L N 1.530 122.722 121.223 -0.053 0.000 2.965 473 L HA 0.211 4.552 4.340 0.001 0.000 0.254 473 L C 1.748 178.392 176.870 -0.377 0.000 1.220 473 L CA 1.021 55.676 54.840 -0.309 0.000 1.023 473 L CB 0.012 41.930 42.059 -0.236 0.000 1.355 473 L HN 0.450 nan 8.230 nan 0.000 0.545 474 D N -0.708 119.609 120.400 -0.140 0.000 2.378 474 D HA -0.257 4.384 4.640 0.001 0.000 0.222 474 D C 1.702 177.976 176.300 -0.043 0.000 0.980 474 D CA 0.628 54.588 54.000 -0.068 0.000 0.907 474 D CB -0.255 40.552 40.800 0.012 0.000 0.899 474 D HN 0.539 nan 8.370 nan 0.000 0.527 475 Y N 0.559 120.865 120.300 0.009 0.000 2.475 475 Y HA 0.232 4.782 4.550 0.001 0.000 0.289 475 Y C 0.618 176.519 175.900 0.002 0.000 1.121 475 Y CA -0.900 57.203 58.100 0.004 0.000 1.257 475 Y CB -0.678 37.780 38.460 -0.002 0.000 1.026 475 Y HN -0.111 nan 8.280 nan 0.000 0.555 476 L N 0.864 121.865 121.223 -0.371 0.000 2.343 476 L HA 0.623 4.963 4.340 0.001 0.000 0.275 476 L C 0.222 177.041 176.870 -0.085 0.000 1.056 476 L CA -1.534 53.204 54.840 -0.170 0.000 0.804 476 L CB 0.529 42.425 42.059 -0.270 0.000 1.203 476 L HN 0.169 nan 8.230 nan 0.000 0.440 477 T N -0.625 113.916 114.554 -0.022 0.000 2.882 477 T HA 0.436 4.786 4.350 0.001 0.000 0.287 477 T C 1.206 175.914 174.700 0.014 0.000 1.014 477 T CA -0.678 61.425 62.100 0.005 0.000 1.049 477 T CB 0.736 69.615 68.868 0.019 0.000 1.001 477 T HN 0.638 nan 8.240 nan 0.000 0.525 478 L N 1.428 122.681 121.223 0.049 0.000 2.362 478 L HA -0.044 4.296 4.340 0.001 0.000 0.219 478 L C 2.865 179.778 176.870 0.071 0.000 1.134 478 L CA 1.117 56.007 54.840 0.084 0.000 0.807 478 L CB -0.636 41.513 42.059 0.150 0.000 0.927 478 L HN 0.930 nan 8.230 nan 0.000 0.447 479 S N -0.696 115.032 115.700 0.046 0.000 2.470 479 S HA -0.086 4.385 4.470 0.001 0.000 0.225 479 S C 1.212 175.795 174.600 -0.029 0.000 1.006 479 S CA -0.286 57.917 58.200 0.005 0.000 0.934 479 S CB -0.219 62.992 63.200 0.019 0.000 0.778 479 S HN 0.237 nan 8.310 nan 0.000 0.517 480 R N 3.388 123.879 120.500 -0.014 0.000 2.504 480 R HA 0.173 4.514 4.340 0.001 0.000 0.291 480 R C 0.115 176.401 176.300 -0.023 0.000 0.974 480 R CA 0.295 56.382 56.100 -0.023 0.000 1.077 480 R CB -0.305 29.983 30.300 -0.021 0.000 0.926 480 R HN 0.265 nan 8.270 nan 0.000 0.407 481 S N 3.411 119.093 115.700 -0.030 0.000 2.558 481 S HA 0.177 4.647 4.470 0.001 0.000 0.288 481 S C 1.354 175.950 174.600 -0.005 0.000 1.318 481 S CA 0.068 58.255 58.200 -0.022 0.000 1.056 481 S CB 0.700 63.886 63.200 -0.024 0.000 0.853 481 S HN 0.726 nan 8.310 nan 0.000 0.505 482 A N 4.800 127.623 122.820 0.006 0.000 1.873 482 A HA 0.115 4.436 4.320 0.001 0.000 0.215 482 A C 2.025 179.616 177.584 0.011 0.000 1.186 482 A CA 1.509 53.553 52.037 0.013 0.000 0.616 482 A CB -1.388 17.626 19.000 0.024 0.000 0.823 482 A HN 1.118 nan 8.150 nan 0.000 0.442 483 G N -0.726 108.080 108.800 0.010 0.000 2.990 483 G HA2 0.115 4.075 3.960 0.001 0.000 0.206 483 G HA3 0.115 4.075 3.960 0.001 0.000 0.206 483 G C 0.987 175.892 174.900 0.008 0.000 1.169 483 G CA 1.424 46.530 45.100 0.010 0.000 0.819 483 G HN 0.741 nan 8.290 nan 0.000 0.517 484 T N -2.060 112.497 114.554 0.007 0.000 3.132 484 T HA 0.488 4.838 4.350 0.001 0.000 0.274 484 T C 0.480 175.186 174.700 0.011 0.000 1.011 484 T CA -0.499 61.606 62.100 0.007 0.000 0.899 484 T CB 0.006 68.874 68.868 0.001 0.000 1.089 484 T HN 0.020 nan 8.240 nan 0.000 0.543 485 L N 2.750 123.981 121.223 0.013 0.000 2.357 485 L HA 0.583 4.923 4.340 0.001 0.000 0.273 485 L C 0.958 177.842 176.870 0.023 0.000 1.080 485 L CA -0.982 53.871 54.840 0.022 0.000 0.803 485 L CB 1.485 43.553 42.059 0.016 0.000 1.174 485 L HN 0.329 nan 8.230 nan 0.000 0.443 486 S N 0.870 116.591 115.700 0.034 0.000 2.608 486 S HA 0.196 4.667 4.470 0.001 0.000 0.261 486 S C 1.225 175.835 174.600 0.017 0.000 1.314 486 S CA -0.174 58.043 58.200 0.028 0.000 0.992 486 S CB 1.278 64.503 63.200 0.041 0.000 0.935 486 S HN 0.780 nan 8.310 nan 0.000 0.564 487 G N 0.689 109.494 108.800 0.008 0.000 2.459 487 G HA2 -0.046 3.915 3.960 0.001 0.000 0.217 487 G HA3 -0.046 3.915 3.960 0.001 0.000 0.217 487 G C 1.382 176.281 174.900 -0.001 0.000 1.183 487 G CA 0.694 45.793 45.100 -0.002 0.000 0.776 487 G HN 1.027 nan 8.290 nan 0.000 0.552 488 G N 0.350 109.152 108.800 0.002 0.000 2.418 488 G HA2 -0.104 3.857 3.960 0.001 0.000 0.217 488 G HA3 -0.104 3.857 3.960 0.001 0.000 0.217 488 G C 1.613 176.517 174.900 0.007 0.000 1.158 488 G CA 1.130 46.227 45.100 -0.004 0.000 0.771 488 G HN 0.525 nan 8.290 nan 0.000 0.545 489 E N 0.500 120.717 120.200 0.027 0.000 2.038 489 E HA -0.103 4.247 4.350 0.001 0.000 0.195 489 E C 2.976 179.581 176.600 0.008 0.000 1.000 489 E CA 0.962 57.382 56.400 0.032 0.000 0.803 489 E CB -0.240 29.495 29.700 0.058 0.000 0.750 489 E HN 0.383 nan 8.360 nan 0.000 0.448 490 A N 1.167 123.992 122.820 0.008 0.000 1.883 490 A HA -0.313 4.008 4.320 0.001 0.000 0.217 490 A C 2.140 179.724 177.584 -0.000 0.000 1.186 490 A CA 1.897 53.937 52.037 0.004 0.000 0.624 490 A CB -0.680 18.323 19.000 0.005 0.000 0.822 490 A HN 0.267 nan 8.150 nan 0.000 0.444 491 Q N -0.657 119.140 119.800 -0.005 0.000 2.096 491 Q HA -0.207 4.134 4.340 0.001 0.000 0.204 491 Q C 2.261 178.253 176.000 -0.013 0.000 0.982 491 Q CA 1.786 57.583 55.803 -0.010 0.000 0.850 491 Q CB -0.087 28.643 28.738 -0.013 0.000 0.901 491 Q HN 0.677 nan 8.270 nan 0.000 0.422 492 R N -0.364 120.128 120.500 -0.013 0.000 2.153 492 R HA 0.036 4.376 4.340 0.001 0.000 0.218 492 R C 2.241 178.532 176.300 -0.015 0.000 1.072 492 R CA 0.725 56.814 56.100 -0.017 0.000 0.990 492 R CB 0.012 30.304 30.300 -0.014 0.000 0.889 492 R HN 0.359 nan 8.270 nan 0.000 0.452 493 I N 0.509 121.074 120.570 -0.008 0.000 2.315 493 I HA -0.250 3.920 4.170 0.001 0.000 0.248 493 I C 2.714 178.835 176.117 0.007 0.000 1.117 493 I CA 1.101 62.401 61.300 0.001 0.000 1.404 493 I CB -0.225 37.777 38.000 0.003 0.000 1.071 493 I HN 0.125 nan 8.210 nan 0.000 0.419 494 R N 1.225 121.726 120.500 0.002 0.000 2.092 494 R HA -0.199 4.142 4.340 0.001 0.000 0.231 494 R C 2.332 178.618 176.300 -0.024 0.000 1.119 494 R CA 1.357 57.459 56.100 0.002 0.000 0.970 494 R CB -0.271 30.033 30.300 0.008 0.000 0.864 494 R HN 0.220 nan 8.270 nan 0.000 0.440 495 L N 0.633 121.830 121.223 -0.043 0.000 2.141 495 L HA 0.029 4.370 4.340 0.001 0.000 0.209 495 L C 2.156 178.951 176.870 -0.126 0.000 1.094 495 L CA 2.016 56.800 54.840 -0.092 0.000 0.763 495 L CB -0.583 41.427 42.059 -0.082 0.000 0.908 495 L HN 0.289 nan 8.230 nan 0.000 0.437 496 A N -1.622 121.157 122.820 -0.068 0.000 1.872 496 A HA -0.132 4.188 4.320 0.001 0.000 0.214 496 A C 2.207 179.753 177.584 -0.063 0.000 1.187 496 A CA 1.890 53.898 52.037 -0.049 0.000 0.614 496 A CB -1.152 17.886 19.000 0.064 0.000 0.826 496 A HN 0.453 nan 8.150 nan 0.000 0.442 497 T N -0.339 114.214 114.554 -0.003 0.000 2.849 497 T HA -0.175 4.175 4.350 0.001 0.000 0.270 497 T C 2.044 176.730 174.700 -0.024 0.000 1.066 497 T CA 1.853 63.969 62.100 0.027 0.000 1.130 497 T CB -0.165 68.730 68.868 0.045 0.000 0.864 497 T HN 0.498 nan 8.240 nan 0.000 0.481 498 Q N 0.258 120.007 119.800 -0.085 0.000 2.123 498 Q HA 0.124 4.464 4.340 0.001 0.000 0.196 498 Q C 2.171 178.038 176.000 -0.221 0.000 0.958 498 Q CA 0.757 56.500 55.803 -0.099 0.000 0.841 498 Q CB -0.373 28.304 28.738 -0.101 0.000 0.915 498 Q HN 0.352 nan 8.270 nan 0.000 0.455 499 I N 0.196 120.532 120.570 -0.390 0.000 2.248 499 I HA -0.233 3.937 4.170 0.001 0.000 0.248 499 I C 1.937 177.673 176.117 -0.636 0.000 1.107 499 I CA 1.767 62.696 61.300 -0.617 0.000 1.373 499 I CB -1.431 35.983 38.000 -0.975 0.000 1.055 499 I HN 0.360 nan 8.210 nan 0.000 0.418 500 G N -0.435 108.085 108.800 -0.465 0.000 2.471 500 G HA2 -0.159 3.801 3.960 0.001 0.000 0.219 500 G HA3 -0.159 3.801 3.960 0.001 0.000 0.219 500 G C 1.708 176.616 174.900 0.013 0.000 1.125 500 G CA 0.626 45.686 45.100 -0.066 0.000 0.775 500 G HN 0.392 nan 8.290 nan 0.000 0.548 501 S N 0.448 116.139 115.700 -0.017 0.000 2.522 501 S HA 0.042 4.513 4.470 0.001 0.000 0.227 501 S C 1.035 175.652 174.600 0.028 0.000 0.986 501 S CA -0.132 58.087 58.200 0.033 0.000 0.929 501 S CB -0.008 63.222 63.200 0.050 0.000 0.769 501 S HN 0.421 nan 8.310 nan 0.000 0.529 502 R N 0.645 121.142 120.500 -0.005 0.000 3.251 502 R HA -0.158 4.183 4.340 0.001 0.000 0.249 502 R C -0.579 175.741 176.300 0.032 0.000 0.949 502 R CA 0.361 56.465 56.100 0.007 0.000 0.645 502 R CB -2.797 27.517 30.300 0.023 0.000 1.065 502 R HN 0.409 nan 8.270 nan 0.000 0.452 503 L N -0.003 121.259 121.223 0.064 0.000 2.454 503 L HA 0.466 4.807 4.340 0.001 0.000 0.256 503 L C 0.980 177.883 176.870 0.055 0.000 1.136 503 L CA -0.276 54.596 54.840 0.053 0.000 0.804 503 L CB 1.265 43.352 42.059 0.047 0.000 1.181 503 L HN 0.107 nan 8.230 nan 0.000 0.469 504 T N -1.056 113.504 114.554 0.010 0.000 2.903 504 T HA 0.481 4.831 4.350 0.001 0.000 0.299 504 T C 0.316 174.994 174.700 -0.036 0.000 1.093 504 T CA -0.024 62.078 62.100 0.004 0.000 1.002 504 T CB 1.689 70.559 68.868 0.003 0.000 1.127 504 T HN 0.933 nan 8.240 nan 0.000 0.488 505 G N 0.689 109.468 108.800 -0.036 0.000 2.249 505 G HA2 -0.175 3.785 3.960 0.001 0.000 0.273 505 G HA3 -0.175 3.785 3.960 0.001 0.000 0.273 505 G C -0.049 174.784 174.900 -0.112 0.000 1.036 505 G CA 0.253 45.318 45.100 -0.059 0.000 0.824 505 G HN 0.772 nan 8.290 nan 0.000 0.504 506 V N 0.008 119.823 119.914 -0.164 0.000 2.732 506 V HA 0.674 4.795 4.120 0.001 0.000 0.310 506 V C 0.341 176.253 176.094 -0.304 0.000 1.053 506 V CA -0.928 61.182 62.300 -0.316 0.000 0.957 506 V CB 1.894 33.375 31.823 -0.570 0.000 1.018 506 V HN 0.359 nan 8.190 nan 0.000 0.452 507 L N 4.870 125.919 121.223 -0.290 0.000 2.353 507 L HA 0.452 4.792 4.340 0.001 0.000 0.269 507 L C -0.772 175.984 176.870 -0.190 0.000 1.085 507 L CA 0.047 54.783 54.840 -0.173 0.000 0.938 507 L CB -0.292 41.706 42.059 -0.101 0.000 1.312 507 L HN 0.511 nan 8.230 nan 0.000 0.429 508 Y N 3.121 123.394 120.300 -0.045 0.000 2.377 508 Y HA 0.379 4.929 4.550 0.001 0.000 0.330 508 Y C 0.330 176.176 175.900 -0.089 0.000 1.108 508 Y CA -0.210 57.857 58.100 -0.055 0.000 1.308 508 Y CB 0.994 39.421 38.460 -0.055 0.000 1.216 508 Y HN 0.196 nan 8.280 nan 0.000 0.518 509 V N 6.306 126.236 119.914 0.026 0.000 2.357 509 V HA 0.247 4.367 4.120 0.001 0.000 0.281 509 V C -0.562 175.490 176.094 -0.070 0.000 1.015 509 V CA -0.719 61.479 62.300 -0.169 0.000 0.827 509 V CB 0.573 32.126 31.823 -0.451 0.000 1.018 509 V HN 0.492 nan 8.190 nan 0.000 0.432 510 L N 3.320 124.548 121.223 0.008 0.000 2.379 510 L HA 0.580 4.920 4.340 0.001 0.000 0.269 510 L C 0.143 177.145 176.870 0.219 0.000 1.084 510 L CA 0.045 54.952 54.840 0.112 0.000 0.802 510 L CB 1.136 43.218 42.059 0.038 0.000 1.175 510 L HN 0.581 nan 8.230 nan 0.000 0.448 511 D N 1.894 122.440 120.400 0.245 0.000 2.458 511 D HA 0.180 4.820 4.640 0.001 0.000 0.258 511 D C -0.355 175.992 176.300 0.078 0.000 1.134 511 D CA -0.300 53.824 54.000 0.207 0.000 0.915 511 D CB 0.171 41.023 40.800 0.087 0.000 1.028 511 D HN 0.536 nan 8.370 nan 0.000 0.508 512 E N 2.967 123.200 120.200 0.055 0.000 2.291 512 E HA -0.152 4.199 4.350 0.001 0.000 0.181 512 E C -1.650 174.959 176.600 0.016 0.000 1.480 512 E CA 0.054 56.473 56.400 0.031 0.000 0.674 512 E CB 0.223 29.962 29.700 0.065 0.000 1.108 512 E HN 0.408 nan 8.360 nan 0.000 0.357 513 P HA -0.116 nan 4.420 nan 0.000 0.237 513 P C 1.056 178.341 177.300 -0.025 0.000 1.178 513 P CA 1.234 64.327 63.100 -0.011 0.000 0.766 513 P CB 0.123 31.813 31.700 -0.017 0.000 0.876 514 S N -0.916 114.769 115.700 -0.026 0.000 2.527 514 S HA 0.033 4.504 4.470 0.001 0.000 0.222 514 S C 1.049 175.601 174.600 -0.081 0.000 0.985 514 S CA -0.302 57.868 58.200 -0.051 0.000 0.921 514 S CB -1.162 62.014 63.200 -0.041 0.000 0.772 514 S HN 0.026 nan 8.310 nan 0.000 0.529 515 I N 2.965 123.504 120.570 -0.051 0.000 2.919 515 I HA 0.105 4.276 4.170 0.001 0.000 0.299 515 I C 1.481 177.534 176.117 -0.107 0.000 1.221 515 I CA 1.307 62.573 61.300 -0.056 0.000 1.424 515 I CB -0.386 37.602 38.000 -0.020 0.000 1.358 515 I HN 0.543 nan 8.210 nan 0.000 0.551 516 G N 5.527 114.218 108.800 -0.181 0.000 2.176 516 G HA2 -0.273 3.687 3.960 0.001 0.000 0.252 516 G HA3 -0.273 3.687 3.960 0.001 0.000 0.252 516 G C -0.350 174.266 174.900 -0.473 0.000 1.024 516 G CA 0.033 44.971 45.100 -0.270 0.000 0.755 516 G HN 0.574 nan 8.290 nan 0.000 0.507 517 L N 0.111 120.977 121.223 -0.595 0.000 2.386 517 L HA 0.630 4.970 4.340 0.001 0.000 0.271 517 L C 0.643 177.276 176.870 -0.394 0.000 0.993 517 L CA -1.270 53.349 54.840 -0.368 0.000 0.819 517 L CB 1.474 43.442 42.059 -0.152 0.000 1.294 517 L HN 0.291 nan 8.230 nan 0.000 0.414 518 H N 2.085 121.053 119.070 -0.170 0.000 2.671 518 H HA 0.008 4.564 4.556 0.001 0.000 0.372 518 H C 0.129 175.396 175.328 -0.102 0.000 1.227 518 H CA 0.349 56.431 56.048 0.057 0.000 1.426 518 H CB 1.813 31.616 29.762 0.068 0.000 1.480 518 H HN 0.763 nan 8.280 nan 0.000 0.611 519 Q N 2.444 122.024 119.800 -0.367 0.000 2.119 519 Q HA -0.121 4.220 4.340 0.001 0.000 0.201 519 Q C 2.441 178.205 176.000 -0.392 0.000 0.972 519 Q CA 1.617 57.199 55.803 -0.369 0.000 0.847 519 Q CB -0.170 28.249 28.738 -0.531 0.000 0.903 519 Q HN 0.656 nan 8.270 nan 0.000 0.433 520 R N 0.183 120.494 120.500 -0.316 0.000 2.113 520 R HA -0.168 4.172 4.340 0.001 0.000 0.244 520 R C 0.241 176.545 176.300 0.005 0.000 1.142 520 R CA 1.891 57.883 56.100 -0.180 0.000 0.953 520 R CB -0.239 30.070 30.300 0.015 0.000 0.860 520 R HN 0.253 nan 8.270 nan 0.000 0.438 521 D N -0.052 120.358 120.400 0.016 0.000 2.325 521 D HA -0.037 4.603 4.640 0.001 0.000 0.234 521 D C 0.669 176.978 176.300 0.014 0.000 1.122 521 D CA 0.159 54.174 54.000 0.026 0.000 0.850 521 D CB -0.119 40.697 40.800 0.028 0.000 0.921 521 D HN 0.309 nan 8.370 nan 0.000 0.513 522 N N 0.644 119.346 118.700 0.003 0.000 2.395 522 N HA -0.090 4.650 4.740 0.001 0.000 0.175 522 N C 0.751 176.278 175.510 0.027 0.000 1.029 522 N CA 0.439 53.490 53.050 0.002 0.000 0.897 522 N CB 0.478 38.955 38.487 -0.016 0.000 0.991 522 N HN -0.005 nan 8.380 nan 0.000 0.441 523 D N 0.703 121.135 120.400 0.053 0.000 2.264 523 D HA -0.049 4.592 4.640 0.001 0.000 0.208 523 D C 1.752 178.079 176.300 0.045 0.000 0.966 523 D CA 0.593 54.629 54.000 0.060 0.000 0.864 523 D CB 0.182 41.035 40.800 0.087 0.000 0.933 523 D HN 0.379 nan 8.370 nan 0.000 0.499 524 R N -0.069 120.456 120.500 0.041 0.000 2.080 524 R HA 0.029 4.370 4.340 0.001 0.000 0.222 524 R C 2.213 178.526 176.300 0.023 0.000 1.107 524 R CA 0.142 56.263 56.100 0.035 0.000 0.980 524 R CB -0.318 30.006 30.300 0.039 0.000 0.879 524 R HN 0.063 nan 8.270 nan 0.000 0.439 525 L N 1.298 122.530 121.223 0.015 0.000 2.079 525 L HA -0.151 4.189 4.340 0.001 0.000 0.210 525 L C 1.975 178.842 176.870 -0.004 0.000 1.081 525 L CA 1.592 56.432 54.840 -0.001 0.000 0.752 525 L CB -0.212 41.842 42.059 -0.008 0.000 0.896 525 L HN 0.124 nan 8.230 nan 0.000 0.433 526 I N -0.454 120.120 120.570 0.006 0.000 2.394 526 I HA -0.190 3.981 4.170 0.001 0.000 0.251 526 I C 2.587 178.708 176.117 0.007 0.000 1.136 526 I CA 1.309 62.613 61.300 0.007 0.000 1.425 526 I CB -1.797 36.213 38.000 0.017 0.000 1.079 526 I HN 0.332 nan 8.210 nan 0.000 0.425 527 A N 1.013 123.842 122.820 0.014 0.000 1.898 527 A HA -0.193 4.127 4.320 0.001 0.000 0.216 527 A C 2.442 180.030 177.584 0.006 0.000 1.181 527 A CA 2.396 54.443 52.037 0.016 0.000 0.620 527 A CB -1.033 17.983 19.000 0.026 0.000 0.819 527 A HN 0.517 nan 8.150 nan 0.000 0.442 528 T N -1.719 112.834 114.554 -0.000 0.000 2.857 528 T HA 0.012 4.362 4.350 0.001 0.000 0.266 528 T C 1.857 176.522 174.700 -0.059 0.000 1.048 528 T CA 1.227 63.315 62.100 -0.021 0.000 1.139 528 T CB -0.531 68.325 68.868 -0.021 0.000 0.874 528 T HN 0.266 nan 8.240 nan 0.000 0.455 529 L N 0.463 121.655 121.223 -0.052 0.000 2.046 529 L HA -0.033 4.308 4.340 0.001 0.000 0.208 529 L C 3.017 179.859 176.870 -0.048 0.000 1.077 529 L CA 1.567 56.367 54.840 -0.066 0.000 0.747 529 L CB -0.451 41.581 42.059 -0.045 0.000 0.896 529 L HN 0.255 nan 8.230 nan 0.000 0.432 530 K N -0.528 119.857 120.400 -0.024 0.000 2.148 530 K HA -0.017 4.303 4.320 0.001 0.000 0.204 530 K C 1.189 177.781 176.600 -0.013 0.000 1.050 530 K CA 0.340 56.620 56.287 -0.011 0.000 0.942 530 K CB -0.015 32.486 32.500 0.002 0.000 0.724 530 K HN 0.208 nan 8.250 nan 0.000 0.446 534 D N 1.897 122.300 120.400 0.004 0.000 2.309 534 D HA -0.093 4.547 4.640 0.001 0.000 0.212 534 D C 1.478 177.783 176.300 0.009 0.000 0.968 534 D CA 0.680 54.684 54.000 0.007 0.000 0.882 534 D CB 0.129 40.932 40.800 0.006 0.000 0.918 534 D HN 0.088 nan 8.370 nan 0.000 0.503 535 L N -0.245 120.984 121.223 0.009 0.000 2.675 535 L HA 0.176 4.517 4.340 0.001 0.000 0.239 535 L C 1.298 178.181 176.870 0.021 0.000 1.151 535 L CA 0.686 55.533 54.840 0.013 0.000 0.905 535 L CB -0.324 41.739 42.059 0.008 0.000 1.057 535 L HN 0.159 nan 8.230 nan 0.000 0.435 536 G N -1.125 107.687 108.800 0.019 0.000 2.134 536 G HA2 -0.243 3.718 3.960 0.001 0.000 0.209 536 G HA3 -0.243 3.718 3.960 0.001 0.000 0.209 536 G C 0.263 175.174 174.900 0.019 0.000 0.993 536 G CA 0.071 45.180 45.100 0.014 0.000 0.669 536 G HN 0.418 nan 8.290 nan 0.000 0.519 537 N N -0.446 118.279 118.700 0.042 0.000 2.563 537 N HA 0.721 5.462 4.740 0.001 0.000 0.288 537 N C -0.562 174.976 175.510 0.047 0.000 1.246 537 N CA 0.273 53.359 53.050 0.061 0.000 0.946 537 N CB 1.653 40.251 38.487 0.184 0.000 1.213 537 N HN 0.195 nan 8.380 nan 0.000 0.578 538 T N 0.490 115.071 114.554 0.046 0.000 2.879 538 T HA 0.545 4.896 4.350 0.001 0.000 0.290 538 T C -0.936 173.795 174.700 0.051 0.000 0.993 538 T CA -0.667 61.448 62.100 0.024 0.000 0.975 538 T CB 0.157 69.015 68.868 -0.016 0.000 0.981 538 T HN 0.199 nan 8.240 nan 0.000 0.439 539 L N 5.426 126.675 121.223 0.044 0.000 2.334 539 L HA 0.657 4.998 4.340 0.001 0.000 0.275 539 L C -0.282 176.591 176.870 0.005 0.000 1.036 539 L CA -1.198 53.669 54.840 0.045 0.000 0.807 539 L CB 1.786 43.863 42.059 0.030 0.000 1.231 539 L HN 0.632 nan 8.230 nan 0.000 0.438 540 I N 2.897 123.457 120.570 -0.018 0.000 2.563 540 I HA 0.255 4.425 4.170 0.001 0.000 0.276 540 I C -0.516 175.561 176.117 -0.066 0.000 1.074 540 I CA -0.369 60.900 61.300 -0.052 0.000 1.124 540 I CB 1.801 39.742 38.000 -0.100 0.000 1.225 540 I HN 0.226 nan 8.210 nan 0.000 0.482 541 V N 5.977 125.872 119.914 -0.032 0.000 2.617 541 V HA 0.339 4.460 4.120 0.001 0.000 0.298 541 V C 0.286 176.363 176.094 -0.028 0.000 1.048 541 V CA -0.661 61.626 62.300 -0.023 0.000 0.964 541 V CB 2.228 34.042 31.823 -0.014 0.000 1.004 541 V HN 0.328 nan 8.190 nan 0.000 0.466 542 V N 3.852 123.762 119.914 -0.007 0.000 2.220 542 V HA 0.402 4.522 4.120 0.001 0.000 0.265 542 V C 0.076 176.094 176.094 -0.126 0.000 1.078 542 V CA -0.314 61.965 62.300 -0.036 0.000 0.872 542 V CB 0.277 32.147 31.823 0.079 0.000 1.121 542 V HN 0.833 nan 8.190 nan 0.000 0.460 543 E N 1.657 121.747 120.200 -0.185 0.000 2.264 543 E HA 0.542 4.893 4.350 0.001 0.000 0.260 543 E C -0.132 176.222 176.600 -0.411 0.000 0.961 543 E CA -0.615 55.657 56.400 -0.215 0.000 0.834 543 E CB 1.838 31.490 29.700 -0.081 0.000 1.230 543 E HN 0.534 nan 8.360 nan 0.000 0.412 544 H N -0.555 118.505 119.070 -0.016 0.000 3.233 544 H HA 0.130 4.687 4.556 0.001 0.000 0.263 544 H C -0.496 174.776 175.328 -0.093 0.000 1.168 544 H CA -0.205 55.805 56.048 -0.064 0.000 1.159 544 H CB 1.037 30.754 29.762 -0.075 0.000 1.593 544 H HN 0.360 nan 8.280 nan 0.000 0.580 545 D N 1.346 121.765 120.400 0.030 0.000 2.302 545 D HA 0.033 4.674 4.640 0.001 0.000 0.248 545 D C 1.192 177.492 176.300 0.000 0.000 1.094 545 D CA 0.072 54.077 54.000 0.008 0.000 0.897 545 D CB 1.530 42.333 40.800 0.006 0.000 1.200 545 D HN 0.131 nan 8.370 nan 0.000 0.429 546 E N 1.732 121.935 120.200 0.005 0.000 2.015 546 E HA -0.161 4.189 4.350 0.001 0.000 0.191 546 E C 1.039 177.652 176.600 0.022 0.000 0.991 546 E CA 1.021 57.431 56.400 0.016 0.000 0.802 546 E CB 0.078 29.795 29.700 0.029 0.000 0.759 546 E HN 0.556 nan 8.360 nan 0.000 0.447 547 D N 0.686 121.103 120.400 0.029 0.000 2.133 547 D HA -0.115 4.526 4.640 0.001 0.000 0.192 547 D C 0.969 177.284 176.300 0.025 0.000 1.001 547 D CA 1.122 55.143 54.000 0.035 0.000 0.844 547 D CB -0.692 40.137 40.800 0.048 0.000 0.944 547 D HN 0.089 nan 8.370 nan 0.000 0.447 551 A N 0.850 123.681 122.820 0.018 0.000 2.251 551 A HA 0.632 4.952 4.320 0.001 0.000 0.209 551 A C 1.084 178.680 177.584 0.021 0.000 1.187 551 A CA 0.710 52.759 52.037 0.020 0.000 0.823 551 A CB -0.250 18.762 19.000 0.021 0.000 0.846 551 A HN 0.272 nan 8.150 nan 0.000 0.486 552 A N 0.074 122.907 122.820 0.021 0.000 2.371 552 A HA 0.434 4.754 4.320 0.001 0.000 0.257 552 A C 0.472 178.081 177.584 0.041 0.000 1.089 552 A CA -0.062 51.993 52.037 0.030 0.000 0.794 552 A CB 0.263 19.280 19.000 0.029 0.000 1.029 552 A HN 0.254 nan 8.150 nan 0.000 0.488 553 D N -0.751 119.688 120.400 0.065 0.000 2.137 553 D HA 0.049 4.690 4.640 0.001 0.000 0.202 553 D C -0.046 176.338 176.300 0.141 0.000 0.970 553 D CA 1.822 55.873 54.000 0.086 0.000 0.837 553 D CB -0.051 40.801 40.800 0.086 0.000 0.981 553 D HN 0.557 nan 8.370 nan 0.000 0.475 554 Y N -0.465 119.835 120.300 0.001 0.000 2.570 554 Y HA 0.563 5.114 4.550 0.000 0.000 0.345 554 Y C -1.434 174.467 175.900 0.001 0.000 1.014 554 Y CA -1.192 56.909 58.100 0.001 0.000 1.063 554 Y CB 1.759 40.218 38.460 -0.002 0.000 1.272 554 Y HN -0.209 nan 8.280 nan 0.000 0.477 555 L N 5.996 127.066 121.223 -0.256 0.000 2.505 555 L HA 0.615 4.955 4.340 0.001 0.000 0.266 555 L C -1.964 174.809 176.870 -0.163 0.000 0.954 555 L CA -0.432 54.337 54.840 -0.119 0.000 0.852 555 L CB 1.456 43.453 42.059 -0.103 0.000 1.282 555 L HN 0.622 nan 8.230 nan 0.000 0.403 556 I N 3.568 124.135 120.570 -0.005 0.000 2.389 556 I HA 0.327 4.497 4.170 0.001 0.000 0.288 556 I C -1.000 175.124 176.117 0.012 0.000 0.999 556 I CA -0.479 60.834 61.300 0.023 0.000 1.129 556 I CB 1.825 39.888 38.000 0.105 0.000 1.288 556 I HN 0.528 nan 8.210 nan 0.000 0.444 557 D N 6.809 127.211 120.400 0.003 0.000 2.177 557 D HA 0.536 5.177 4.640 0.001 0.000 0.247 557 D C -0.654 175.652 176.300 0.009 0.000 1.063 557 D CA -0.128 53.879 54.000 0.011 0.000 0.867 557 D CB 1.373 42.181 40.800 0.014 0.000 1.168 557 D HN 0.281 nan 8.370 nan 0.000 0.445 558 I N 2.280 122.851 120.570 0.002 0.000 2.412 558 I HA 0.403 4.574 4.170 0.001 0.000 0.296 558 I C 0.938 177.047 176.117 -0.013 0.000 0.987 558 I CA -1.128 60.172 61.300 0.000 0.000 1.180 558 I CB 1.694 39.697 38.000 0.005 0.000 1.340 558 I HN 0.558 nan 8.210 nan 0.000 0.455 559 G N 7.203 116.002 108.800 -0.001 0.000 2.862 559 G HA2 -0.174 3.787 3.960 0.001 0.000 0.334 559 G HA3 -0.174 3.787 3.960 0.001 0.000 0.334 559 G C -2.585 172.311 174.900 -0.006 0.000 0.154 559 G CA -0.837 44.265 45.100 0.003 0.000 1.240 559 G HN 0.408 nan 8.290 nan 0.000 0.465 560 P HA 0.433 nan 4.420 nan 0.000 0.271 560 P C 0.977 178.291 177.300 0.023 0.000 1.220 560 P CA 1.440 64.545 63.100 0.008 0.000 0.768 560 P CB 0.817 32.533 31.700 0.028 0.000 0.848 561 G N 2.014 110.805 108.800 -0.015 0.000 2.782 561 G HA2 0.185 4.145 3.960 0.001 0.000 0.228 561 G HA3 0.185 4.145 3.960 0.001 0.000 0.228 561 G C -0.931 173.950 174.900 -0.031 0.000 1.372 561 G CA -0.271 44.815 45.100 -0.023 0.000 0.862 561 G HN 0.748 nan 8.290 nan 0.000 0.547 562 A N -0.968 121.826 122.820 -0.043 0.000 2.423 562 A HA 1.208 5.528 4.320 0.001 0.000 0.304 562 A C 1.299 178.911 177.584 0.048 0.000 1.104 562 A CA 1.336 53.329 52.037 -0.074 0.000 0.757 562 A CB 1.211 20.075 19.000 -0.228 0.000 1.313 562 A HN 3.083 nan 8.150 nan 0.000 0.423 563 G N -0.001 108.823 108.800 0.039 0.000 2.527 563 G HA2 -0.225 3.736 3.960 0.001 0.000 0.262 563 G HA3 -0.225 3.736 3.960 0.001 0.000 0.262 563 G C 1.031 176.017 174.900 0.143 0.000 1.153 563 G CA 0.491 45.676 45.100 0.142 0.000 0.954 563 G HN 1.620 nan 8.290 nan 0.000 0.552 564 I N 1.473 122.152 120.570 0.182 0.000 3.001 564 I HA 0.037 4.207 4.170 0.001 0.000 0.268 564 I C 2.252 178.363 176.117 -0.010 0.000 1.267 564 I CA 1.790 63.132 61.300 0.071 0.000 1.472 564 I CB -0.072 37.942 38.000 0.023 0.000 1.089 564 I HN 0.556 nan 8.210 nan 0.000 0.468 565 H N -0.158 118.933 119.070 0.035 0.000 2.355 565 H HA 0.170 4.727 4.556 0.001 0.000 0.303 565 H C 1.585 176.919 175.328 0.010 0.000 1.061 565 H CA 0.966 57.029 56.048 0.025 0.000 1.368 565 H CB -0.526 29.252 29.762 0.027 0.000 1.412 565 H HN 0.320 nan 8.280 nan 0.000 0.523 566 G N -1.386 107.487 108.800 0.121 0.000 2.783 566 G HA2 0.360 4.320 3.960 0.001 0.000 0.182 566 G HA3 0.360 4.320 3.960 0.001 0.000 0.182 566 G C 0.656 175.577 174.900 0.036 0.000 1.516 566 G CA -0.143 44.987 45.100 0.050 0.000 1.079 566 G HN 0.646 nan 8.290 nan 0.000 0.573 567 G N -1.340 107.474 108.800 0.023 0.000 2.149 567 G HA2 -0.149 3.811 3.960 0.001 0.000 0.235 567 G HA3 -0.149 3.811 3.960 0.001 0.000 0.235 567 G C 0.016 174.930 174.900 0.024 0.000 1.018 567 G CA 0.706 45.822 45.100 0.028 0.000 0.728 567 G HN 0.712 nan 8.290 nan 0.000 0.508 568 E N -1.542 118.670 120.200 0.020 0.000 2.392 568 E HA 0.539 4.890 4.350 0.001 0.000 0.269 568 E C -0.707 175.904 176.600 0.019 0.000 0.924 568 E CA -1.071 55.340 56.400 0.019 0.000 0.784 568 E CB 2.797 32.508 29.700 0.018 0.000 1.292 568 E HN 0.339 nan 8.360 nan 0.000 0.447 569 V N 3.320 123.247 119.914 0.021 0.000 2.339 569 V HA 0.023 4.144 4.120 0.001 0.000 0.261 569 V C 0.676 176.782 176.094 0.020 0.000 1.058 569 V CA 0.215 62.529 62.300 0.024 0.000 0.897 569 V CB 0.363 32.207 31.823 0.035 0.000 1.052 569 V HN 0.650 nan 8.190 nan 0.000 0.480 570 V N 6.312 126.235 119.914 0.015 0.000 2.295 570 V HA 0.141 4.262 4.120 0.001 0.000 0.246 570 V C 1.012 177.112 176.094 0.011 0.000 1.049 570 V CA 1.731 64.039 62.300 0.013 0.000 1.024 570 V CB -0.600 31.228 31.823 0.010 0.000 0.648 570 V HN 1.057 nan 8.190 nan 0.000 0.447 571 A N -1.386 121.437 122.820 0.006 0.000 2.555 571 A HA 0.823 5.143 4.320 0.001 0.000 0.297 571 A C -0.953 176.613 177.584 -0.031 0.000 1.060 571 A CA 0.176 52.208 52.037 -0.008 0.000 0.710 571 A CB 1.259 20.253 19.000 -0.011 0.000 1.282 571 A HN 0.745 nan 8.150 nan 0.000 0.399 572 A N 0.732 123.522 122.820 -0.050 0.000 2.449 572 A HA 1.055 5.375 4.320 0.001 0.000 0.302 572 A C 0.166 177.582 177.584 -0.279 0.000 1.048 572 A CA 0.092 52.047 52.037 -0.137 0.000 0.708 572 A CB 1.496 20.536 19.000 0.066 0.000 1.274 572 A HN 2.828 nan 8.150 nan 0.000 0.410 573 G N -0.317 108.060 108.800 -0.705 0.000 2.345 573 G HA2 0.559 4.519 3.960 0.001 0.000 0.285 573 G HA3 0.559 4.519 3.960 0.001 0.000 0.285 573 G C -0.144 174.418 174.900 -0.564 0.000 1.297 573 G CA 0.282 45.032 45.100 -0.584 0.000 0.875 573 G HN 1.834 nan 8.290 nan 0.000 0.506 574 T N -0.384 114.021 114.554 -0.249 0.000 2.856 574 T HA 0.484 4.834 4.350 0.001 0.000 0.306 574 T C -0.769 173.863 174.700 -0.114 0.000 1.062 574 T CA -0.133 61.888 62.100 -0.133 0.000 1.083 574 T CB 1.689 70.534 68.868 -0.038 0.000 0.984 574 T HN 0.355 nan 8.240 nan 0.000 0.542 575 P HA -0.098 nan 4.420 nan 0.000 0.219 575 P C 1.180 178.464 177.300 -0.028 0.000 1.146 575 P CA 1.023 64.097 63.100 -0.043 0.000 0.808 575 P CB 0.146 31.836 31.700 -0.017 0.000 0.779 576 E N 0.812 120.998 120.200 -0.023 0.000 2.072 576 E HA -0.153 4.197 4.350 0.001 0.000 0.191 576 E C 2.041 178.630 176.600 -0.018 0.000 0.985 576 E CA 1.070 57.463 56.400 -0.013 0.000 0.801 576 E CB -0.685 29.011 29.700 -0.007 0.000 0.750 576 E HN 0.470 nan 8.360 nan 0.000 0.452 577 E N 0.915 121.095 120.200 -0.032 0.000 2.031 577 E HA -0.065 4.285 4.350 0.001 0.000 0.193 577 E C 1.144 177.722 176.600 -0.036 0.000 0.994 577 E CA 0.591 56.970 56.400 -0.035 0.000 0.800 577 E CB 0.042 29.710 29.700 -0.052 0.000 0.752 577 E HN -0.040 nan 8.360 nan 0.000 0.447 581 D N 1.635 122.040 120.400 0.008 0.000 2.313 581 D HA 0.304 4.944 4.640 0.001 0.000 0.239 581 D C -1.537 174.773 176.300 0.017 0.000 1.142 581 D CA -1.682 52.323 54.000 0.009 0.000 0.847 581 D CB 1.923 42.725 40.800 0.003 0.000 1.082 581 D HN -0.034 nan 8.370 nan 0.000 0.480 582 P HA -0.024 nan 4.420 nan 0.000 0.223 582 P C 0.397 177.710 177.300 0.022 0.000 1.151 582 P CA 0.605 63.716 63.100 0.018 0.000 0.787 582 P CB 0.384 32.092 31.700 0.013 0.000 0.788 583 N N -1.422 117.291 118.700 0.020 0.000 2.398 583 N HA -0.002 4.738 4.740 0.001 0.000 0.188 583 N C 0.334 175.861 175.510 0.028 0.000 1.122 583 N CA 0.398 53.461 53.050 0.022 0.000 0.866 583 N CB -0.335 38.162 38.487 0.018 0.000 0.970 583 N HN 0.006 nan 8.380 nan 0.000 0.462 584 S N 0.532 116.252 115.700 0.033 0.000 2.465 584 S HA 0.244 4.715 4.470 0.001 0.000 0.279 584 S C 1.135 175.780 174.600 0.076 0.000 1.201 584 S CA -0.588 57.639 58.200 0.044 0.000 1.053 584 S CB 0.421 63.646 63.200 0.042 0.000 0.953 584 S HN 0.255 nan 8.310 nan 0.000 0.488 585 L N 4.862 126.129 121.223 0.074 0.000 2.056 585 L HA -0.052 4.289 4.340 0.001 0.000 0.207 585 L C 2.271 179.301 176.870 0.266 0.000 1.078 585 L CA 1.600 56.516 54.840 0.127 0.000 0.749 585 L CB -0.565 41.519 42.059 0.042 0.000 0.901 585 L HN 0.712 nan 8.230 nan 0.000 0.433 586 T N -0.660 114.028 114.554 0.222 0.000 2.737 586 T HA -0.106 4.245 4.350 0.001 0.000 0.265 586 T C 1.670 176.525 174.700 0.258 0.000 1.038 586 T CA 1.127 63.431 62.100 0.341 0.000 1.144 586 T CB -0.682 68.360 68.868 0.290 0.000 0.866 586 T HN 0.606 nan 8.240 nan 0.000 0.434 587 G N 1.261 110.155 108.800 0.157 0.000 2.469 587 G HA2 -0.291 3.669 3.960 0.001 0.000 0.219 587 G HA3 -0.291 3.669 3.960 0.001 0.000 0.219 587 G C 1.498 176.468 174.900 0.116 0.000 1.150 587 G CA 0.861 46.026 45.100 0.107 0.000 0.763 587 G HN 0.505 nan 8.290 nan 0.000 0.561 588 Q N -0.917 118.960 119.800 0.129 0.000 2.084 588 Q HA -0.109 4.232 4.340 0.001 0.000 0.202 588 Q C 2.316 178.357 176.000 0.069 0.000 0.978 588 Q CA 1.298 57.144 55.803 0.072 0.000 0.844 588 Q CB -0.248 28.507 28.738 0.028 0.000 0.898 588 Q HN 0.667 nan 8.270 nan 0.000 0.426 589 Y N 0.494 120.857 120.300 0.105 0.000 2.293 589 Y HA -0.156 4.395 4.550 0.000 0.000 0.291 589 Y C 1.976 177.921 175.900 0.076 0.000 1.137 589 Y CA 0.849 59.015 58.100 0.110 0.000 1.202 589 Y CB 0.047 38.570 38.460 0.105 0.000 0.990 589 Y HN 0.069 nan 8.280 nan 0.000 0.537 590 L N -0.899 120.444 121.223 0.201 0.000 2.072 590 L HA -0.196 4.144 4.340 0.001 0.000 0.205 590 L C 2.508 179.420 176.870 0.070 0.000 1.079 590 L CA 1.616 56.525 54.840 0.114 0.000 0.752 590 L CB -0.708 41.402 42.059 0.085 0.000 0.906 590 L HN 0.235 nan 8.230 nan 0.000 0.436 591 S N -0.902 114.833 115.700 0.058 0.000 2.453 591 S HA 0.049 4.519 4.470 0.001 0.000 0.231 591 S C 1.580 176.187 174.600 0.011 0.000 1.005 591 S CA 0.688 58.905 58.200 0.028 0.000 0.949 591 S CB 0.319 63.533 63.200 0.024 0.000 0.774 591 S HN 0.562 nan 8.310 nan 0.000 0.510 592 G N 1.149 109.964 108.800 0.025 0.000 2.184 592 G HA2 -0.215 3.745 3.960 0.001 0.000 0.206 592 G HA3 -0.215 3.745 3.960 0.001 0.000 0.206 592 G C 0.699 175.639 174.900 0.067 0.000 0.995 592 G CA 0.159 45.257 45.100 -0.003 0.000 0.651 592 G HN 0.490 nan 8.290 nan 0.000 0.511 593 K N -0.362 120.067 120.400 0.048 0.000 2.362 593 K HA 0.088 4.408 4.320 0.001 0.000 0.200 593 K C 0.853 177.463 176.600 0.016 0.000 1.046 593 K CA 1.173 57.487 56.287 0.045 0.000 0.952 593 K CB 0.081 32.586 32.500 0.008 0.000 0.753 593 K HN 0.222 nan 8.250 nan 0.000 0.466 594 K N 0.238 120.595 120.400 -0.072 0.000 2.535 594 K HA 0.304 4.625 4.320 0.001 0.000 0.251 594 K C -1.664 174.677 176.600 -0.432 0.000 0.942 594 K CA -0.765 55.288 56.287 -0.390 0.000 0.798 594 K CB 0.966 33.040 32.500 -0.710 0.000 1.267 594 K HN -0.034 nan 8.250 nan 0.000 0.434 595 F N 1.313 121.048 119.950 -0.358 0.000 2.817 595 F HA 0.582 5.109 4.527 0.001 0.000 0.317 595 F C -1.174 174.682 175.800 0.094 0.000 1.168 595 F CA -1.368 56.618 58.000 -0.023 0.000 0.911 595 F CB 0.763 39.764 39.000 0.002 0.000 1.337 595 F HN 0.194 nan 8.300 nan 0.000 0.464 596 I N 3.748 124.503 120.570 0.308 0.000 2.396 596 I HA 0.296 4.467 4.170 0.001 0.000 0.289 596 I C -2.187 174.031 176.117 0.169 0.000 1.056 596 I CA -1.688 59.701 61.300 0.148 0.000 1.365 596 I CB 1.072 39.159 38.000 0.146 0.000 1.407 596 I HN 0.327 nan 8.210 nan 0.000 0.509 597 P HA 0.310 nan 4.420 nan 0.000 0.284 597 P C -0.520 176.804 177.300 0.040 0.000 1.253 597 P CA -0.304 62.826 63.100 0.050 0.000 0.800 597 P CB 1.216 32.868 31.700 -0.079 0.000 0.961 598 I N 4.420 125.030 120.570 0.066 0.000 2.416 598 I HA 0.151 4.322 4.170 0.001 0.000 0.288 598 I C -1.696 174.406 176.117 -0.025 0.000 1.051 598 I CA -2.038 59.272 61.300 0.016 0.000 1.375 598 I CB 0.171 38.188 38.000 0.027 0.000 1.407 598 I HN 0.165 nan 8.210 nan 0.000 0.516 599 P HA 0.001 nan 4.420 nan 0.000 0.261 599 P C 0.494 177.763 177.300 -0.051 0.000 1.183 599 P CA 0.032 63.082 63.100 -0.083 0.000 0.761 599 P CB 0.884 32.513 31.700 -0.119 0.000 0.785 600 A N 2.895 125.686 122.820 -0.049 0.000 1.948 600 A HA -0.170 4.150 4.320 0.001 0.000 0.220 600 A C 1.009 178.572 177.584 -0.034 0.000 1.177 600 A CA 1.587 53.598 52.037 -0.044 0.000 0.636 600 A CB -0.466 18.506 19.000 -0.047 0.000 0.815 600 A HN 0.599 nan 8.150 nan 0.000 0.449 601 E N -1.593 118.588 120.200 -0.032 0.000 2.369 601 E HA 0.602 4.953 4.350 0.001 0.000 0.270 601 E C -0.694 175.897 176.600 -0.015 0.000 0.909 601 E CA -0.685 55.705 56.400 -0.018 0.000 0.775 601 E CB 1.182 30.874 29.700 -0.014 0.000 1.270 601 E HN 0.333 nan 8.360 nan 0.000 0.445 602 R N 1.922 122.425 120.500 0.005 0.000 2.711 602 R HA 0.502 4.842 4.340 0.001 0.000 0.284 602 R C -0.442 175.880 176.300 0.036 0.000 0.968 602 R CA -1.072 55.041 56.100 0.023 0.000 0.924 602 R CB 1.563 31.888 30.300 0.041 0.000 1.162 602 R HN 0.381 nan 8.270 nan 0.000 0.465 603 R N 2.512 123.041 120.500 0.050 0.000 2.498 603 R HA 0.025 4.365 4.340 0.001 0.000 0.334 603 R C -0.095 176.229 176.300 0.041 0.000 1.106 603 R CA 0.236 56.362 56.100 0.043 0.000 0.995 603 R CB -0.019 30.314 30.300 0.055 0.000 0.989 603 R HN 0.206 nan 8.270 nan 0.000 0.455 604 R N 3.847 124.366 120.500 0.032 0.000 2.522 604 R HA 0.067 4.408 4.340 0.001 0.000 0.284 604 R C -1.565 174.727 176.300 -0.013 0.000 1.032 604 R CA -1.085 55.037 56.100 0.037 0.000 1.049 604 R CB 0.012 30.337 30.300 0.041 0.000 0.956 604 R HN 0.409 nan 8.270 nan 0.000 0.422 605 P HA 0.054 nan 4.420 nan 0.000 0.273 605 P C -1.013 176.199 177.300 -0.148 0.000 1.250 605 P CA -0.269 62.702 63.100 -0.216 0.000 0.793 605 P CB 0.637 32.079 31.700 -0.430 0.000 1.011 606 D N -1.591 118.657 120.400 -0.253 0.000 2.723 606 D HA 0.239 4.879 4.640 0.001 0.000 0.247 606 D C 1.366 177.610 176.300 -0.093 0.000 1.134 606 D CA -0.584 53.346 54.000 -0.116 0.000 1.099 606 D CB -0.509 40.232 40.800 -0.098 0.000 1.287 606 D HN 0.362 nan 8.370 nan 0.000 0.634 607 G N -1.181 107.634 108.800 0.026 0.000 2.559 607 G HA2 -0.118 3.843 3.960 0.001 0.000 0.216 607 G HA3 -0.118 3.843 3.960 0.001 0.000 0.216 607 G C 0.406 175.361 174.900 0.091 0.000 1.126 607 G CA -0.047 45.153 45.100 0.167 0.000 0.778 607 G HN 0.257 nan 8.290 nan 0.000 0.543 608 R N -0.089 120.250 120.500 -0.268 0.000 2.248 608 R HA 0.309 4.650 4.340 0.001 0.000 0.337 608 R C -1.368 174.536 176.300 -0.659 0.000 1.085 608 R CA -0.260 55.445 56.100 -0.659 0.000 0.934 608 R CB 0.301 30.210 30.300 -0.653 0.000 1.034 608 R HN 0.260 nan 8.270 nan 0.000 0.465 609 W N 3.339 124.410 121.300 -0.382 0.000 2.883 609 W HA 0.372 5.033 4.660 0.001 0.000 0.335 609 W C -0.492 175.955 176.519 -0.119 0.000 1.083 609 W CA -0.642 56.579 57.345 -0.208 0.000 1.233 609 W CB 1.111 30.498 29.460 -0.120 0.000 1.412 609 W HN 0.224 nan 8.180 nan 0.000 0.490 610 L N 2.500 123.807 121.223 0.140 0.000 2.399 610 L HA 0.420 4.760 4.340 0.001 0.000 0.266 610 L C 0.194 177.151 176.870 0.144 0.000 1.114 610 L CA -0.396 54.513 54.840 0.115 0.000 0.804 610 L CB 0.930 43.023 42.059 0.056 0.000 1.146 610 L HN 0.445 nan 8.230 nan 0.000 0.451 611 E N 2.073 122.335 120.200 0.104 0.000 2.923 611 E HA 0.182 4.532 4.350 0.001 0.000 0.266 611 E C -0.909 175.730 176.600 0.065 0.000 1.157 611 E CA -0.403 56.043 56.400 0.078 0.000 0.795 611 E CB 1.635 31.368 29.700 0.054 0.000 1.454 611 E HN 0.410 nan 8.360 nan 0.000 0.386 612 V N -0.124 119.828 119.914 0.062 0.000 2.740 612 V HA 0.370 4.490 4.120 0.001 0.000 0.303 612 V C 0.114 176.249 176.094 0.069 0.000 1.054 612 V CA -0.223 62.117 62.300 0.067 0.000 1.106 612 V CB 1.072 32.917 31.823 0.036 0.000 0.957 612 V HN 0.178 nan 8.190 nan 0.000 0.486 613 V N 4.138 124.107 119.914 0.093 0.000 2.638 613 V HA 0.786 4.906 4.120 0.001 0.000 0.306 613 V C 0.870 177.003 176.094 0.065 0.000 1.052 613 V CA 0.070 62.407 62.300 0.060 0.000 0.885 613 V CB 1.073 32.918 31.823 0.037 0.000 0.999 613 V HN 1.692 nan 8.190 nan 0.000 0.424 614 G N 3.754 112.579 108.800 0.041 0.000 2.338 614 G HA2 -0.005 3.956 3.960 0.001 0.000 0.296 614 G HA3 -0.005 3.956 3.960 0.001 0.000 0.296 614 G C 0.278 175.210 174.900 0.053 0.000 1.040 614 G CA 0.191 45.311 45.100 0.032 0.000 1.004 614 G HN 1.634 nan 8.290 nan 0.000 0.509 615 A N -0.274 122.584 122.820 0.065 0.000 2.347 615 A HA 0.708 5.028 4.320 0.001 0.000 0.287 615 A C 1.261 178.867 177.584 0.035 0.000 1.199 615 A CA 0.274 52.354 52.037 0.072 0.000 0.851 615 A CB 0.310 19.341 19.000 0.052 0.000 1.118 615 A HN 0.650 nan 8.150 nan 0.000 0.525 616 R N 1.595 122.109 120.500 0.024 0.000 2.342 616 R HA 0.081 4.421 4.340 0.001 0.000 0.204 616 R C 1.190 177.479 176.300 -0.019 0.000 0.882 616 R CA 0.210 56.312 56.100 0.005 0.000 1.041 616 R CB -0.169 30.131 30.300 -0.001 0.000 1.188 616 R HN 0.789 nan 8.270 nan 0.000 0.598 617 E N 1.574 121.742 120.200 -0.054 0.000 2.908 617 E HA -0.316 4.035 4.350 0.001 0.000 0.277 617 E C 0.962 177.453 176.600 -0.181 0.000 0.971 617 E CA 2.394 58.692 56.400 -0.170 0.000 1.114 617 E CB -0.518 29.040 29.700 -0.236 0.000 1.189 617 E HN 0.459 nan 8.360 nan 0.000 0.469 618 H N -1.011 118.068 119.070 0.015 0.000 2.549 618 H HA 0.109 4.665 4.556 0.001 0.000 0.326 618 H C 1.507 176.843 175.328 0.014 0.000 1.111 618 H CA 0.954 57.011 56.048 0.015 0.000 1.555 618 H CB -0.309 29.463 29.762 0.018 0.000 1.548 618 H HN 0.490 nan 8.280 nan 0.000 0.660 619 N N 1.687 120.485 118.700 0.163 0.000 2.398 619 N HA -0.016 4.724 4.740 0.001 0.000 0.188 619 N C -0.405 175.135 175.510 0.050 0.000 1.122 619 N CA 0.095 53.194 53.050 0.081 0.000 0.866 619 N CB -0.221 38.298 38.487 0.053 0.000 0.970 619 N HN 0.252 nan 8.380 nan 0.000 0.462 620 L N 0.846 122.098 121.223 0.047 0.000 2.462 620 L HA 0.089 4.430 4.340 0.001 0.000 0.272 620 L C 0.244 177.128 176.870 0.023 0.000 1.166 620 L CA -0.036 54.821 54.840 0.028 0.000 0.880 620 L CB 0.323 42.396 42.059 0.023 0.000 1.142 620 L HN -0.176 nan 8.230 nan 0.000 0.473 621 K N 3.269 123.681 120.400 0.020 0.000 2.265 621 K HA 0.105 4.425 4.320 0.001 0.000 0.242 621 K C 0.272 176.881 176.600 0.015 0.000 1.137 621 K CA -0.173 56.124 56.287 0.017 0.000 1.082 621 K CB -0.346 32.164 32.500 0.016 0.000 1.731 621 K HN 0.451 nan 8.250 nan 0.000 0.392 622 N N 0.227 118.936 118.700 0.014 0.000 2.710 622 N HA -0.199 4.541 4.740 0.001 0.000 0.249 622 N C -0.830 174.691 175.510 0.017 0.000 1.059 622 N CA 0.446 53.504 53.050 0.014 0.000 0.720 622 N CB -0.962 37.530 38.487 0.008 0.000 0.983 622 N HN 0.209 nan 8.380 nan 0.000 0.544 623 V N 0.090 120.017 119.914 0.021 0.000 2.788 623 V HA 0.161 4.282 4.120 0.001 0.000 0.307 623 V C 0.981 177.091 176.094 0.028 0.000 1.069 623 V CA 0.646 62.960 62.300 0.024 0.000 1.173 623 V CB 1.300 33.138 31.823 0.025 0.000 0.925 623 V HN 0.436 nan 8.190 nan 0.000 0.492 624 S N 3.799 119.514 115.700 0.026 0.000 2.776 624 S HA 0.626 5.096 4.470 0.001 0.000 0.284 624 S C -0.991 173.626 174.600 0.028 0.000 1.160 624 S CA -0.401 57.814 58.200 0.026 0.000 1.051 624 S CB 1.322 64.531 63.200 0.014 0.000 1.037 624 S HN 0.681 nan 8.310 nan 0.000 0.485 625 V N 4.525 124.463 119.914 0.041 0.000 3.141 625 V HA 0.816 4.936 4.120 0.001 0.000 0.312 625 V C -1.867 174.271 176.094 0.072 0.000 1.157 625 V CA -0.894 61.442 62.300 0.060 0.000 1.041 625 V CB 2.448 34.319 31.823 0.079 0.000 1.071 625 V HN 0.843 nan 8.190 nan 0.000 0.441 626 K N 4.248 124.716 120.400 0.114 0.000 2.426 626 K HA 0.664 4.985 4.320 0.001 0.000 0.254 626 K C -1.297 175.501 176.600 0.330 0.000 0.936 626 K CA -0.168 56.220 56.287 0.169 0.000 0.801 626 K CB 1.952 34.440 32.500 -0.020 0.000 1.139 626 K HN 0.530 nan 8.250 nan 0.000 0.424 627 I N 4.463 125.195 120.570 0.269 0.000 2.354 627 I HA 0.344 4.514 4.170 0.001 0.000 0.292 627 I C -2.168 173.880 176.117 -0.114 0.000 0.989 627 I CA -2.399 58.952 61.300 0.085 0.000 1.188 627 I CB 1.726 39.738 38.000 0.021 0.000 1.342 627 I HN 0.382 nan 8.210 nan 0.000 0.457 628 P HA 0.290 nan 4.420 nan 0.000 0.286 628 P C -0.736 176.207 177.300 -0.594 0.000 1.269 628 P CA -0.236 62.236 63.100 -1.047 0.000 0.787 628 P CB 1.091 31.939 31.700 -1.420 0.000 0.920 629 L N 1.905 122.805 121.223 -0.538 0.000 2.439 629 L HA 0.530 4.871 4.340 0.001 0.000 0.259 629 L C 1.455 178.156 176.870 -0.282 0.000 1.129 629 L CA -0.192 54.447 54.840 -0.334 0.000 0.803 629 L CB 0.092 41.972 42.059 -0.299 0.000 1.161 629 L HN 0.702 nan 8.230 nan 0.000 0.462 630 G N 0.455 109.153 108.800 -0.170 0.000 2.272 630 G HA2 -0.207 3.754 3.960 0.001 0.000 0.280 630 G HA3 -0.207 3.754 3.960 0.001 0.000 0.280 630 G C -0.027 174.826 174.900 -0.079 0.000 1.067 630 G CA 0.495 45.532 45.100 -0.106 0.000 0.902 630 G HN 0.832 nan 8.290 nan 0.000 0.500 631 T N -1.823 112.693 114.554 -0.063 0.000 2.786 631 T HA 0.510 4.861 4.350 0.001 0.000 0.316 631 T C -0.971 173.765 174.700 0.060 0.000 1.503 631 T CA -0.449 61.657 62.100 0.011 0.000 1.019 631 T CB 0.998 69.841 68.868 -0.042 0.000 1.415 631 T HN 1.058 nan 8.240 nan 0.000 0.496 632 F N 4.176 124.125 119.950 -0.001 0.000 2.439 632 F HA 0.576 5.103 4.527 0.001 0.000 0.356 632 F C -0.222 175.591 175.800 0.022 0.000 1.161 632 F CA -0.156 57.827 58.000 -0.029 0.000 1.151 632 F CB 0.184 39.132 39.000 -0.087 0.000 1.222 632 F HN 0.307 nan 8.300 nan 0.000 0.558 633 V N 5.546 125.388 119.914 -0.119 0.000 2.481 633 V HA 0.673 4.793 4.120 0.001 0.000 0.286 633 V C 0.063 176.106 176.094 -0.085 0.000 1.042 633 V CA -0.684 61.618 62.300 0.004 0.000 0.928 633 V CB 1.282 33.096 31.823 -0.015 0.000 0.986 633 V HN 0.820 nan 8.190 nan 0.000 0.462 634 A N 4.567 127.429 122.820 0.070 0.000 2.363 634 A HA 0.689 5.010 4.320 0.001 0.000 0.296 634 A C -0.711 176.896 177.584 0.038 0.000 1.237 634 A CA -0.462 51.602 52.037 0.044 0.000 0.773 634 A CB 1.047 20.139 19.000 0.154 0.000 1.153 634 A HN 0.617 nan 8.150 nan 0.000 0.473 635 V N 2.696 122.609 119.914 -0.002 0.000 2.439 635 V HA 0.434 4.555 4.120 0.001 0.000 0.271 635 V C 0.856 176.925 176.094 -0.042 0.000 1.040 635 V CA 0.455 62.752 62.300 -0.004 0.000 1.002 635 V CB 0.887 32.703 31.823 -0.013 0.000 1.000 635 V HN 0.929 nan 8.190 nan 0.000 0.477 636 T N 3.182 117.718 114.554 -0.030 0.000 2.910 636 T HA 0.897 5.247 4.350 0.001 0.000 0.287 636 T C -0.260 174.421 174.700 -0.032 0.000 1.050 636 T CA 0.238 62.303 62.100 -0.058 0.000 1.011 636 T CB 1.803 70.668 68.868 -0.006 0.000 1.195 636 T HN 1.403 nan 8.240 nan 0.000 0.540 637 G N 0.516 109.316 108.800 -0.000 0.000 2.312 637 G HA2 0.343 4.303 3.960 0.001 0.000 0.347 637 G HA3 0.343 4.303 3.960 0.001 0.000 0.347 637 G C -0.604 174.323 174.900 0.045 0.000 1.564 637 G CA -0.286 44.820 45.100 0.011 0.000 0.981 637 G HN 1.496 nan 8.290 nan 0.000 0.678 638 V N -0.178 119.678 119.914 -0.097 0.000 3.139 638 V HA 0.649 4.770 4.120 0.001 0.000 0.307 638 V C 1.187 177.301 176.094 0.033 0.000 1.095 638 V CA 0.346 62.613 62.300 -0.055 0.000 1.160 638 V CB 1.006 32.642 31.823 -0.312 0.000 1.003 638 V HN 2.221 nan 8.190 nan 0.000 0.489 639 S N 2.235 118.019 115.700 0.139 0.000 2.558 639 S HA 0.458 4.929 4.470 0.001 0.000 0.288 639 S C 1.295 175.667 174.600 -0.381 0.000 1.318 639 S CA 0.093 58.297 58.200 0.007 0.000 1.056 639 S CB 0.238 63.498 63.200 0.100 0.000 0.853 639 S HN 2.803 nan 8.310 nan 0.000 0.505 640 G N 1.656 110.022 108.800 -0.723 0.000 2.176 640 G HA2 -0.334 3.626 3.960 0.001 0.000 0.253 640 G HA3 -0.334 3.626 3.960 0.001 0.000 0.253 640 G C 0.863 175.494 174.900 -0.448 0.000 0.979 640 G CA 0.650 45.061 45.100 -1.148 0.000 0.641 640 G HN 1.754 nan 8.290 nan 0.000 0.530 641 S N -0.250 115.296 115.700 -0.257 0.000 2.561 641 S HA 0.407 4.877 4.470 0.001 0.000 0.225 641 S C 2.051 176.601 174.600 -0.082 0.000 0.977 641 S CA 1.342 59.461 58.200 -0.134 0.000 0.926 641 S CB 0.198 63.339 63.200 -0.097 0.000 0.769 641 S HN 2.375 nan 8.310 nan 0.000 0.533 642 G N 1.274 110.023 108.800 -0.085 0.000 2.131 642 G HA2 -0.215 3.745 3.960 0.001 0.000 0.201 642 G HA3 -0.215 3.745 3.960 0.001 0.000 0.201 642 G C 0.611 175.505 174.900 -0.009 0.000 1.000 642 G CA 0.221 45.308 45.100 -0.021 0.000 0.680 642 G HN 0.489 nan 8.290 nan 0.000 0.514 643 K N 0.526 120.909 120.400 -0.029 0.000 2.025 643 K HA -0.031 4.290 4.320 0.001 0.000 0.207 643 K C 2.676 179.274 176.600 -0.004 0.000 1.049 643 K CA 1.650 57.924 56.287 -0.021 0.000 0.933 643 K CB -0.276 32.199 32.500 -0.042 0.000 0.714 643 K HN 0.352 nan 8.250 nan 0.000 0.438 644 S N 0.936 116.638 115.700 0.004 0.000 2.359 644 S HA -0.171 4.300 4.470 0.001 0.000 0.223 644 S C 2.143 176.766 174.600 0.039 0.000 1.039 644 S CA 2.017 60.228 58.200 0.019 0.000 1.042 644 S CB -0.675 62.542 63.200 0.028 0.000 0.915 644 S HN 0.339 nan 8.310 nan 0.000 0.439 645 T N 2.835 117.426 114.554 0.062 0.000 2.652 645 T HA -0.063 4.287 4.350 0.001 0.000 0.267 645 T C 1.796 176.515 174.700 0.032 0.000 1.039 645 T CA 1.399 63.547 62.100 0.081 0.000 1.153 645 T CB -0.536 68.412 68.868 0.133 0.000 0.863 645 T HN 0.275 nan 8.240 nan 0.000 0.428 646 L N 0.840 122.076 121.223 0.021 0.000 2.044 646 L HA -0.045 4.295 4.340 0.001 0.000 0.205 646 L C 2.440 179.313 176.870 0.004 0.000 1.075 646 L CA 1.183 56.027 54.840 0.006 0.000 0.747 646 L CB -0.253 41.813 42.059 0.011 0.000 0.903 646 L HN 0.097 nan 8.230 nan 0.000 0.435 647 V N 0.221 120.141 119.914 0.010 0.000 2.453 647 V HA -0.200 3.920 4.120 0.001 0.000 0.247 647 V C 2.125 178.238 176.094 0.033 0.000 1.048 647 V CA 2.013 64.320 62.300 0.012 0.000 1.049 647 V CB -0.618 31.202 31.823 -0.005 0.000 0.672 647 V HN 0.568 nan 8.190 nan 0.000 0.457 648 N N -0.294 118.428 118.700 0.036 0.000 2.646 648 N HA -0.051 4.690 4.740 0.001 0.000 0.214 648 N C 1.878 177.452 175.510 0.108 0.000 1.042 648 N CA 0.826 53.919 53.050 0.072 0.000 0.925 648 N CB 0.519 39.013 38.487 0.012 0.000 1.383 648 N HN 0.349 nan 8.380 nan 0.000 0.439 649 E N 0.391 120.630 120.200 0.066 0.000 2.153 649 E HA -0.041 4.310 4.350 0.001 0.000 0.194 649 E C 1.682 178.283 176.600 0.002 0.000 0.988 649 E CA 1.038 57.469 56.400 0.051 0.000 0.811 649 E CB 0.175 29.907 29.700 0.054 0.000 0.746 649 E HN 0.178 nan 8.360 nan 0.000 0.466 650 V N -0.531 119.364 119.914 -0.032 0.000 2.635 650 V HA -0.017 4.104 4.120 0.001 0.000 0.233 650 V C 1.990 177.970 176.094 -0.190 0.000 1.097 650 V CA 0.801 63.017 62.300 -0.140 0.000 1.134 650 V CB -0.643 31.098 31.823 -0.137 0.000 0.841 650 V HN 0.238 nan 8.190 nan 0.000 0.496 651 L N -0.137 121.025 121.223 -0.101 0.000 1.955 651 L HA -0.201 4.139 4.340 0.001 0.000 0.213 651 L C 2.354 179.210 176.870 -0.024 0.000 1.072 651 L CA 2.506 57.302 54.840 -0.073 0.000 0.755 651 L CB -1.030 41.023 42.059 -0.010 0.000 0.888 651 L HN 0.487 nan 8.230 nan 0.000 0.432 652 Y N 0.499 120.762 120.300 -0.062 0.000 2.036 652 Y HA -0.338 4.213 4.550 0.001 0.000 0.273 652 Y C 2.554 178.435 175.900 -0.032 0.000 1.135 652 Y CA 2.491 60.568 58.100 -0.039 0.000 1.106 652 Y CB -0.308 38.135 38.460 -0.030 0.000 0.976 652 Y HN 0.175 nan 8.280 nan 0.000 0.483 653 K N 0.266 120.551 120.400 -0.191 0.000 2.089 653 K HA -0.284 4.037 4.320 0.001 0.000 0.210 653 K C 2.293 178.758 176.600 -0.226 0.000 1.048 653 K CA 1.383 57.513 56.287 -0.261 0.000 0.926 653 K CB -0.521 31.949 32.500 -0.050 0.000 0.714 653 K HN 0.518 nan 8.250 nan 0.000 0.448 654 A N 1.483 124.200 122.820 -0.171 0.000 1.845 654 A HA -0.145 4.175 4.320 0.001 0.000 0.215 654 A C 2.170 179.689 177.584 -0.109 0.000 1.195 654 A CA 1.318 53.281 52.037 -0.122 0.000 0.616 654 A CB -0.715 18.150 19.000 -0.225 0.000 0.832 654 A HN 0.166 nan 8.150 nan 0.000 0.443 655 L N -0.737 120.407 121.223 -0.132 0.000 2.083 655 L HA -0.205 4.135 4.340 0.001 0.000 0.209 655 L C 3.100 179.897 176.870 -0.122 0.000 1.083 655 L CA 1.036 55.819 54.840 -0.096 0.000 0.752 655 L CB -0.637 41.385 42.059 -0.061 0.000 0.899 655 L HN 0.461 nan 8.230 nan 0.000 0.433 656 A N 0.656 123.312 122.820 -0.273 0.000 1.908 656 A HA -0.268 4.053 4.320 0.001 0.000 0.218 656 A C 2.269 179.794 177.584 -0.097 0.000 1.181 656 A CA 1.907 53.785 52.037 -0.265 0.000 0.627 656 A CB -0.606 17.960 19.000 -0.723 0.000 0.818 656 A HN 0.650 nan 8.150 nan 0.000 0.445 657 Q N -1.561 118.174 119.800 -0.108 0.000 2.378 657 Q HA -0.043 4.297 4.340 0.001 0.000 0.205 657 Q C 1.555 177.537 176.000 -0.030 0.000 0.954 657 Q CA 1.047 56.822 55.803 -0.047 0.000 0.901 657 Q CB -0.033 28.682 28.738 -0.038 0.000 0.981 657 Q HN 0.370 nan 8.270 nan 0.000 0.483 658 K N 0.943 121.318 120.400 -0.041 0.000 2.067 658 K HA 0.086 4.407 4.320 0.001 0.000 0.203 658 K C 2.092 178.655 176.600 -0.063 0.000 1.048 658 K CA 0.772 57.035 56.287 -0.039 0.000 0.954 658 K CB -0.074 32.406 32.500 -0.032 0.000 0.737 658 K HN 0.276 nan 8.250 nan 0.000 0.444 659 L N -0.362 120.808 121.223 -0.089 0.000 2.049 659 L HA -0.086 4.254 4.340 0.001 0.000 0.203 659 L C 1.759 178.453 176.870 -0.294 0.000 1.074 659 L CA 1.323 56.043 54.840 -0.200 0.000 0.749 659 L CB -0.375 41.538 42.059 -0.242 0.000 0.907 659 L HN 0.227 nan 8.230 nan 0.000 0.439 660 H N -1.072 117.966 119.070 -0.052 0.000 2.586 660 H HA 0.216 4.772 4.556 0.001 0.000 0.273 660 H C 0.112 175.423 175.328 -0.028 0.000 0.997 660 H CA -0.309 55.718 56.048 -0.035 0.000 1.177 660 H CB 0.415 30.157 29.762 -0.034 0.000 1.471 660 H HN 0.013 nan 8.280 nan 0.000 0.538 661 R N -0.117 120.411 120.500 0.047 0.000 3.516 661 R HA -0.170 4.170 4.340 0.001 0.000 0.271 661 R C -0.222 176.100 176.300 0.037 0.000 1.098 661 R CA 0.282 56.399 56.100 0.030 0.000 0.732 661 R CB -1.765 28.551 30.300 0.027 0.000 1.152 661 R HN 0.389 nan 8.270 nan 0.000 0.455 662 A N 0.465 123.301 122.820 0.026 0.000 2.366 662 A HA 0.328 4.648 4.320 0.001 0.000 0.249 662 A C 0.890 178.471 177.584 -0.004 0.000 1.084 662 A CA -0.125 51.916 52.037 0.007 0.000 0.794 662 A CB 0.467 19.453 19.000 -0.023 0.000 1.034 662 A HN 0.215 nan 8.150 nan 0.000 0.491 663 K N 0.839 121.235 120.400 -0.007 0.000 2.444 663 K HA 0.243 4.564 4.320 0.001 0.000 0.193 663 K C 0.719 177.301 176.600 -0.030 0.000 1.024 663 K CA 0.785 57.065 56.287 -0.013 0.000 1.077 663 K CB -0.153 32.324 32.500 -0.039 0.000 0.833 663 K HN 0.711 nan 8.250 nan 0.000 0.517 664 A N 2.026 124.829 122.820 -0.030 0.000 2.515 664 A HA -0.029 4.292 4.320 0.001 0.000 0.263 664 A C 0.007 177.578 177.584 -0.021 0.000 1.096 664 A CA 0.013 52.037 52.037 -0.022 0.000 0.769 664 A CB -0.304 18.694 19.000 -0.004 0.000 1.040 664 A HN 0.199 nan 8.150 nan 0.000 0.505 665 K N 5.126 125.517 120.400 -0.015 0.000 2.402 665 K HA 0.193 4.514 4.320 0.001 0.000 0.285 665 K C -2.153 174.448 176.600 0.002 0.000 1.054 665 K CA -1.348 54.935 56.287 -0.006 0.000 1.001 665 K CB 0.481 32.975 32.500 -0.010 0.000 0.946 665 K HN 0.496 nan 8.250 nan 0.000 0.473 666 P HA 0.081 nan 4.420 nan 0.000 0.274 666 P C -0.066 177.252 177.300 0.030 0.000 1.256 666 P CA -0.421 62.686 63.100 0.012 0.000 0.795 666 P CB 0.529 32.246 31.700 0.029 0.000 1.038 667 G N -0.309 108.496 108.800 0.009 0.000 2.572 667 G HA2 0.117 4.078 3.960 0.001 0.000 0.261 667 G HA3 0.117 4.078 3.960 0.001 0.000 0.261 667 G C -0.471 174.478 174.900 0.082 0.000 1.197 667 G CA -0.478 44.618 45.100 -0.007 0.000 0.870 667 G HN 0.594 nan 8.290 nan 0.000 0.548 668 E N 0.134 120.346 120.200 0.020 0.000 2.383 668 E HA 0.196 4.547 4.350 0.001 0.000 0.257 668 E C -0.062 176.607 176.600 0.116 0.000 1.079 668 E CA 0.085 56.510 56.400 0.040 0.000 0.934 668 E CB -0.171 29.517 29.700 -0.019 0.000 0.978 668 E HN 0.705 nan 8.360 nan 0.000 0.462 669 H N 1.392 120.442 119.070 -0.034 0.000 3.037 669 H HA 0.391 4.947 4.556 0.001 0.000 0.355 669 H C 0.108 175.425 175.328 -0.020 0.000 1.263 669 H CA -1.125 54.909 56.048 -0.023 0.000 1.129 669 H CB 1.072 30.823 29.762 -0.018 0.000 1.861 669 H HN 0.253 nan 8.280 nan 0.000 0.546 670 R N 0.368 120.792 120.500 -0.128 0.000 2.052 670 R HA 0.195 4.535 4.340 0.001 0.000 0.224 670 R C -0.480 175.672 176.300 -0.246 0.000 1.165 670 R CA 1.956 57.952 56.100 -0.172 0.000 0.939 670 R CB -0.042 30.225 30.300 -0.055 0.000 0.834 670 R HN 0.809 nan 8.270 nan 0.000 0.435 671 D N -2.275 118.099 120.400 -0.043 0.000 2.653 671 D HA 0.344 4.984 4.640 0.001 0.000 0.258 671 D C -1.542 174.859 176.300 0.168 0.000 1.252 671 D CA -0.506 53.514 54.000 0.034 0.000 0.777 671 D CB 1.279 42.075 40.800 -0.007 0.000 1.339 671 D HN 0.072 nan 8.370 nan 0.000 0.422 672 I N 2.068 122.730 120.570 0.153 0.000 2.468 672 I HA 0.453 4.624 4.170 0.001 0.000 0.285 672 I C -0.059 176.102 176.117 0.074 0.000 1.039 672 I CA -0.766 60.600 61.300 0.109 0.000 1.074 672 I CB 1.680 39.733 38.000 0.087 0.000 1.228 672 I HN 0.086 nan 8.210 nan 0.000 0.436 673 R N 2.597 123.139 120.500 0.070 0.000 2.705 673 R HA 0.726 5.066 4.340 0.001 0.000 0.246 673 R C 0.924 177.285 176.300 0.102 0.000 1.142 673 R CA -0.183 55.959 56.100 0.070 0.000 1.114 673 R CB 0.592 30.930 30.300 0.063 0.000 1.256 673 R HN 0.830 nan 8.270 nan 0.000 0.536 674 G N 0.064 108.944 108.800 0.133 0.000 2.153 674 G HA2 -0.255 3.706 3.960 0.001 0.000 0.252 674 G HA3 -0.255 3.706 3.960 0.001 0.000 0.252 674 G C 0.325 175.350 174.900 0.210 0.000 0.994 674 G CA 0.500 45.758 45.100 0.264 0.000 0.698 674 G HN 0.415 nan 8.290 nan 0.000 0.521 675 L N 1.175 122.451 121.223 0.089 0.000 2.552 675 L HA 0.239 4.579 4.340 0.001 0.000 0.227 675 L C 2.326 179.198 176.870 0.003 0.000 1.146 675 L CA 1.900 56.766 54.840 0.043 0.000 0.858 675 L CB -0.141 41.928 42.059 0.017 0.000 0.969 675 L HN 0.481 nan 8.230 nan 0.000 0.451 676 E N -2.333 117.843 120.200 -0.040 0.000 2.476 676 E HA -0.127 4.223 4.350 0.001 0.000 0.191 676 E C 0.827 177.309 176.600 -0.196 0.000 1.064 676 E CA 0.510 56.835 56.400 -0.126 0.000 0.866 676 E CB -0.546 29.056 29.700 -0.164 0.000 0.952 676 E HN 0.580 nan 8.360 nan 0.000 0.492 677 H N 0.555 119.612 119.070 -0.021 0.000 2.592 677 H HA 0.224 4.780 4.556 0.001 0.000 0.265 677 H C 0.335 175.637 175.328 -0.044 0.000 0.955 677 H CA 0.236 56.267 56.048 -0.030 0.000 1.175 677 H CB 0.763 30.507 29.762 -0.029 0.000 1.433 677 H HN 0.151 nan 8.280 nan 0.000 0.537 678 L N -2.067 119.186 121.223 0.051 0.000 2.434 678 L HA 0.446 4.786 4.340 0.001 0.000 0.260 678 L C -0.133 176.714 176.870 -0.039 0.000 0.983 678 L CA -0.776 54.061 54.840 -0.004 0.000 0.820 678 L CB 1.716 43.766 42.059 -0.015 0.000 1.361 678 L HN -0.365 nan 8.230 nan 0.000 0.410 679 D N 0.329 120.695 120.400 -0.057 0.000 2.379 679 D HA 0.098 4.738 4.640 0.001 0.000 0.218 679 D C -0.131 176.089 176.300 -0.133 0.000 1.006 679 D CA 1.032 54.978 54.000 -0.089 0.000 0.893 679 D CB 0.452 41.208 40.800 -0.073 0.000 1.019 679 D HN 0.739 nan 8.370 nan 0.000 0.503 680 K N 0.097 120.454 120.400 -0.072 0.000 2.535 680 K HA 0.572 4.892 4.320 0.001 0.000 0.250 680 K C -1.286 175.369 176.600 0.091 0.000 0.948 680 K CA -0.759 55.550 56.287 0.037 0.000 0.796 680 K CB 2.641 35.206 32.500 0.108 0.000 1.216 680 K HN -0.309 nan 8.250 nan 0.000 0.432 681 V N 4.188 124.248 119.914 0.244 0.000 2.398 681 V HA 0.417 4.537 4.120 0.001 0.000 0.286 681 V C -0.315 175.888 176.094 0.183 0.000 1.026 681 V CA -0.852 61.532 62.300 0.139 0.000 0.868 681 V CB 1.238 33.154 31.823 0.156 0.000 0.982 681 V HN 0.713 nan 8.190 nan 0.000 0.443 682 I N 3.547 124.177 120.570 0.100 0.000 2.406 682 I HA 0.382 4.553 4.170 0.001 0.000 0.290 682 I C -0.362 175.800 176.117 0.076 0.000 0.999 682 I CA -0.505 60.866 61.300 0.118 0.000 1.124 682 I CB 1.783 39.883 38.000 0.167 0.000 1.289 682 I HN 0.599 nan 8.210 nan 0.000 0.441 683 D N 7.423 127.780 120.400 -0.072 0.000 2.456 683 D HA 0.285 4.926 4.640 0.001 0.000 0.219 683 D C 0.056 176.261 176.300 -0.157 0.000 1.126 683 D CA -0.321 53.476 54.000 -0.337 0.000 0.890 683 D CB 0.379 40.578 40.800 -1.001 0.000 1.025 683 D HN 0.337 nan 8.370 nan 0.000 0.511 684 I N 3.410 123.936 120.570 -0.074 0.000 2.349 684 I HA 0.020 4.191 4.170 0.001 0.000 0.302 684 I C 0.931 176.994 176.117 -0.090 0.000 1.180 684 I CA -0.289 60.981 61.300 -0.051 0.000 1.405 684 I CB -0.124 37.855 38.000 -0.035 0.000 1.474 684 I HN 0.256 nan 8.210 nan 0.000 0.632 685 D N 3.823 124.163 120.400 -0.100 0.000 2.371 685 D HA -0.043 4.597 4.640 0.001 0.000 0.242 685 D C 0.628 176.878 176.300 -0.084 0.000 1.218 685 D CA 0.126 54.065 54.000 -0.102 0.000 0.945 685 D CB 0.993 41.736 40.800 -0.094 0.000 1.137 685 D HN 0.455 nan 8.370 nan 0.000 0.464 686 Q N 0.216 119.973 119.800 -0.073 0.000 2.220 686 Q HA 0.102 4.443 4.340 0.001 0.000 0.205 686 Q C -0.130 175.831 176.000 -0.064 0.000 0.865 686 Q CA -0.380 55.384 55.803 -0.066 0.000 0.960 686 Q CB 0.109 28.817 28.738 -0.050 0.000 1.097 686 Q HN 0.456 nan 8.270 nan 0.000 0.493 687 S N 0.636 116.298 115.700 -0.063 0.000 2.614 687 S HA 0.425 4.895 4.470 0.001 0.000 0.265 687 S C -2.247 172.311 174.600 -0.071 0.000 1.303 687 S CA -1.305 56.864 58.200 -0.052 0.000 1.000 687 S CB 0.554 63.732 63.200 -0.037 0.000 0.935 687 S HN 0.106 nan 8.310 nan 0.000 0.551 688 P HA 0.165 nan 4.420 nan 0.000 0.270 688 P C 0.658 177.897 177.300 -0.102 0.000 1.223 688 P CA -0.314 62.741 63.100 -0.075 0.000 0.785 688 P CB 0.397 32.072 31.700 -0.041 0.000 0.923 689 I N -0.388 120.088 120.570 -0.157 0.000 2.353 689 I HA 0.001 4.171 4.170 0.001 0.000 0.248 689 I C 1.470 177.572 176.117 -0.025 0.000 1.119 689 I CA 1.454 62.615 61.300 -0.232 0.000 1.417 689 I CB -0.408 37.405 38.000 -0.313 0.000 1.078 689 I HN 0.488 nan 8.210 nan 0.000 0.421 690 G N -0.487 108.303 108.800 -0.017 0.000 2.682 690 G HA2 0.453 4.414 3.960 0.001 0.000 0.290 690 G HA3 0.453 4.414 3.960 0.001 0.000 0.290 690 G C -0.397 174.510 174.900 0.012 0.000 1.425 690 G CA -0.569 44.546 45.100 0.026 0.000 0.807 690 G HN -0.066 nan 8.290 nan 0.000 0.482 691 R N -0.644 119.873 120.500 0.029 0.000 2.509 691 R HA 0.366 4.706 4.340 0.001 0.000 0.300 691 R C 0.243 176.572 176.300 0.049 0.000 0.985 691 R CA 0.541 56.661 56.100 0.034 0.000 1.092 691 R CB 0.294 30.615 30.300 0.035 0.000 1.237 691 R HN 0.747 nan 8.270 nan 0.000 0.546 692 T N -4.277 110.303 114.554 0.043 0.000 2.843 692 T HA 0.332 4.683 4.350 0.001 0.000 0.302 692 T C -2.513 172.202 174.700 0.025 0.000 1.232 692 T CA -1.612 60.524 62.100 0.059 0.000 1.009 692 T CB 1.964 70.873 68.868 0.068 0.000 1.254 692 T HN -0.240 nan 8.240 nan 0.000 0.504 693 P HA 0.046 nan 4.420 nan 0.000 0.244 693 P C 1.051 178.392 177.300 0.070 0.000 1.211 693 P CA 0.139 63.224 63.100 -0.024 0.000 0.760 693 P CB 0.087 31.757 31.700 -0.049 0.000 0.961 694 R N -0.015 120.562 120.500 0.128 0.000 2.062 694 R HA 0.077 4.418 4.340 0.001 0.000 0.229 694 R C 1.116 177.398 176.300 -0.030 0.000 1.128 694 R CA 0.679 56.912 56.100 0.223 0.000 0.960 694 R CB -1.202 29.215 30.300 0.196 0.000 0.855 694 R HN 0.205 nan 8.270 nan 0.000 0.432 695 S N 2.142 117.826 115.700 -0.027 0.000 2.576 695 S HA 0.221 4.691 4.470 0.001 0.000 0.276 695 S C 0.252 174.771 174.600 -0.134 0.000 1.339 695 S CA -0.492 57.675 58.200 -0.055 0.000 1.039 695 S CB 0.715 63.922 63.200 0.012 0.000 0.902 695 S HN 0.411 nan 8.310 nan 0.000 0.516 696 N N 0.668 119.285 118.700 -0.138 0.000 3.046 696 N HA 0.320 5.060 4.740 0.001 0.000 0.243 696 N C -3.017 172.432 175.510 -0.102 0.000 1.452 696 N CA -1.608 51.341 53.050 -0.168 0.000 0.882 696 N CB 0.197 38.518 38.487 -0.276 0.000 1.425 696 N HN 0.121 nan 8.380 nan 0.000 0.517 697 P HA -0.214 nan 4.420 nan 0.000 0.217 697 P C 1.079 178.374 177.300 -0.008 0.000 1.148 697 P CA 2.570 65.634 63.100 -0.060 0.000 0.834 697 P CB -0.087 31.558 31.700 -0.091 0.000 0.783 698 A N -0.325 122.469 122.820 -0.043 0.000 1.855 698 A HA -0.137 4.184 4.320 0.001 0.000 0.215 698 A C 2.400 180.015 177.584 0.052 0.000 1.191 698 A CA 2.442 54.484 52.037 0.008 0.000 0.613 698 A CB -1.834 17.168 19.000 0.003 0.000 0.829 698 A HN 0.178 nan 8.150 nan 0.000 0.442 699 T N -1.709 112.844 114.554 -0.002 0.000 2.746 699 T HA -0.160 4.191 4.350 0.001 0.000 0.267 699 T C 1.804 176.545 174.700 0.069 0.000 1.039 699 T CA 1.730 63.852 62.100 0.038 0.000 1.142 699 T CB -0.404 68.440 68.868 -0.041 0.000 0.866 699 T HN 0.525 nan 8.240 nan 0.000 0.444 700 Y N 2.000 122.279 120.300 -0.035 0.000 2.200 700 Y HA -0.158 4.392 4.550 0.001 0.000 0.290 700 Y C 2.762 178.655 175.900 -0.012 0.000 1.137 700 Y CA 1.687 59.773 58.100 -0.024 0.000 1.163 700 Y CB -0.299 38.138 38.460 -0.038 0.000 0.988 700 Y HN 0.296 nan 8.280 nan 0.000 0.518 701 T N -3.389 111.255 114.554 0.150 0.000 3.113 701 T HA 0.199 4.550 4.350 0.001 0.000 0.256 701 T C 1.686 176.397 174.700 0.017 0.000 1.131 701 T CA 0.596 62.742 62.100 0.076 0.000 1.074 701 T CB -0.511 68.400 68.868 0.072 0.000 0.944 701 T HN 0.594 nan 8.240 nan 0.000 0.516 702 G N 0.568 109.378 108.800 0.018 0.000 2.168 702 G HA2 -0.317 3.644 3.960 0.001 0.000 0.263 702 G HA3 -0.317 3.644 3.960 0.001 0.000 0.263 702 G C 0.894 175.797 174.900 0.004 0.000 0.977 702 G CA 0.334 45.440 45.100 0.010 0.000 0.659 702 G HN 0.541 nan 8.290 nan 0.000 0.533 703 V N -0.097 119.822 119.914 0.010 0.000 2.295 703 V HA -0.099 4.022 4.120 0.001 0.000 0.246 703 V C 2.207 178.284 176.094 -0.028 0.000 1.049 703 V CA 2.487 64.766 62.300 -0.035 0.000 1.024 703 V CB -0.716 31.084 31.823 -0.038 0.000 0.648 703 V HN 0.510 nan 8.190 nan 0.000 0.447 704 F N 0.990 120.880 119.950 -0.099 0.000 2.269 704 F HA -0.198 4.329 4.527 0.001 0.000 0.301 704 F C 2.245 178.007 175.800 -0.063 0.000 1.082 704 F CA 1.897 59.842 58.000 -0.092 0.000 1.360 704 F CB -0.134 38.812 39.000 -0.091 0.000 1.041 704 F HN 0.198 nan 8.300 nan 0.000 0.512 705 D N 0.440 120.811 120.400 -0.048 0.000 2.117 705 D HA -0.170 4.470 4.640 0.001 0.000 0.198 705 D C 1.523 177.724 176.300 -0.164 0.000 0.982 705 D CA 1.541 55.478 54.000 -0.105 0.000 0.828 705 D CB -0.160 40.636 40.800 -0.007 0.000 0.967 705 D HN 0.312 nan 8.370 nan 0.000 0.464 706 D N 0.233 120.549 120.400 -0.140 0.000 2.183 706 D HA -0.045 4.595 4.640 0.001 0.000 0.203 706 D C 2.050 178.232 176.300 -0.197 0.000 0.969 706 D CA 0.081 53.995 54.000 -0.144 0.000 0.842 706 D CB -0.135 40.590 40.800 -0.125 0.000 0.957 706 D HN 0.303 nan 8.370 nan 0.000 0.484 707 I N 0.616 121.029 120.570 -0.261 0.000 2.614 707 I HA -0.172 3.999 4.170 0.001 0.000 0.258 707 I C 1.928 177.913 176.117 -0.219 0.000 1.189 707 I CA 0.752 61.890 61.300 -0.270 0.000 1.462 707 I CB 0.181 38.018 38.000 -0.271 0.000 1.092 707 I HN -0.099 nan 8.210 nan 0.000 0.442 708 R N 0.302 120.590 120.500 -0.353 0.000 2.115 708 R HA -0.130 4.210 4.340 0.001 0.000 0.226 708 R C 1.670 177.884 176.300 -0.143 0.000 1.100 708 R CA 1.182 57.096 56.100 -0.310 0.000 0.980 708 R CB -0.341 29.742 30.300 -0.361 0.000 0.875 708 R HN 0.422 nan 8.270 nan 0.000 0.445 709 D N 0.618 120.944 120.400 -0.123 0.000 2.182 709 D HA -0.138 4.502 4.640 0.001 0.000 0.201 709 D C 1.990 178.233 176.300 -0.095 0.000 0.986 709 D CA 1.627 55.581 54.000 -0.077 0.000 0.847 709 D CB 0.049 40.807 40.800 -0.069 0.000 0.942 709 D HN 0.197 nan 8.370 nan 0.000 0.467 710 V N -1.562 118.263 119.914 -0.148 0.000 2.453 710 V HA -0.161 3.959 4.120 0.001 0.000 0.247 710 V C 2.134 177.979 176.094 -0.416 0.000 1.048 710 V CA 1.151 63.275 62.300 -0.293 0.000 1.049 710 V CB -1.079 30.468 31.823 -0.459 0.000 0.672 710 V HN -0.081 nan 8.190 nan 0.000 0.457 711 F N 1.644 121.306 119.950 -0.480 0.000 2.325 711 F HA 0.288 4.815 4.527 0.000 0.000 0.299 711 F C 2.636 178.210 175.800 -0.376 0.000 1.090 711 F CA 1.276 58.916 58.000 -0.600 0.000 1.392 711 F CB -0.677 37.627 39.000 -1.160 0.000 1.053 711 F HN 0.245 nan 8.300 nan 0.000 0.521 712 A N -1.103 121.688 122.820 -0.048 0.000 2.119 712 A HA -0.070 4.250 4.320 0.001 0.000 0.217 712 A C 2.236 179.854 177.584 0.057 0.000 1.153 712 A CA 1.560 53.654 52.037 0.095 0.000 0.692 712 A CB -0.696 18.362 19.000 0.096 0.000 0.799 712 A HN 0.273 nan 8.150 nan 0.000 0.458 713 S N -0.831 114.861 115.700 -0.013 0.000 2.446 713 S HA -0.002 4.468 4.470 0.001 0.000 0.225 713 S C 1.272 175.883 174.600 0.018 0.000 1.016 713 S CA 0.711 58.910 58.200 -0.003 0.000 0.943 713 S CB -0.363 62.821 63.200 -0.027 0.000 0.786 713 S HN 0.631 nan 8.310 nan 0.000 0.508 714 T N 2.354 116.915 114.554 0.011 0.000 2.855 714 T HA 0.031 4.381 4.350 0.001 0.000 0.322 714 T C 1.177 175.914 174.700 0.063 0.000 1.088 714 T CA -0.147 61.980 62.100 0.046 0.000 1.104 714 T CB 0.211 69.107 68.868 0.047 0.000 0.996 714 T HN 0.098 nan 8.240 nan 0.000 0.549 715 N N 2.249 120.979 118.700 0.050 0.000 2.244 715 N HA -0.059 4.682 4.740 0.001 0.000 0.183 715 N C 1.826 177.365 175.510 0.049 0.000 1.016 715 N CA 0.760 53.834 53.050 0.040 0.000 0.866 715 N CB -0.142 38.359 38.487 0.024 0.000 0.980 715 N HN 0.603 nan 8.380 nan 0.000 0.430 716 E N 1.022 121.270 120.200 0.080 0.000 2.085 716 E HA -0.109 4.241 4.350 0.001 0.000 0.194 716 E C 1.827 178.477 176.600 0.082 0.000 0.994 716 E CA 1.001 57.459 56.400 0.096 0.000 0.801 716 E CB -0.297 29.505 29.700 0.170 0.000 0.743 716 E HN 0.346 nan 8.360 nan 0.000 0.453 717 A N 1.592 124.527 122.820 0.193 0.000 1.969 717 A HA -0.163 4.157 4.320 0.001 0.000 0.218 717 A C 2.029 179.643 177.584 0.051 0.000 1.169 717 A CA 1.168 53.350 52.037 0.241 0.000 0.635 717 A CB -0.135 19.134 19.000 0.450 0.000 0.810 717 A HN 0.009 nan 8.150 nan 0.000 0.445 718 K N 0.048 120.474 120.400 0.043 0.000 1.984 718 K HA -0.112 4.209 4.320 0.001 0.000 0.209 718 K C 2.188 178.764 176.600 -0.040 0.000 1.046 718 K CA 1.726 58.020 56.287 0.012 0.000 0.934 718 K CB -1.461 31.050 32.500 0.019 0.000 0.717 718 K HN 0.553 nan 8.250 nan 0.000 0.438 719 V N -0.060 119.824 119.914 -0.049 0.000 2.332 719 V HA -0.189 3.932 4.120 0.001 0.000 0.248 719 V C 2.200 178.213 176.094 -0.135 0.000 1.055 719 V CA 1.569 63.828 62.300 -0.068 0.000 1.038 719 V CB -0.717 31.079 31.823 -0.046 0.000 0.651 719 V HN 0.179 nan 8.190 nan 0.000 0.450 720 R N 1.110 121.459 120.500 -0.252 0.000 2.236 720 R HA 0.228 4.569 4.340 0.001 0.000 0.208 720 R C 1.778 177.791 176.300 -0.480 0.000 1.036 720 R CA 0.772 56.594 56.100 -0.463 0.000 1.001 720 R CB -0.237 29.529 30.300 -0.891 0.000 0.896 720 R HN 0.824 nan 8.270 nan 0.000 0.464 721 G N 0.315 108.937 108.800 -0.298 0.000 2.132 721 G HA2 -0.288 3.673 3.960 0.001 0.000 0.228 721 G HA3 -0.288 3.673 3.960 0.001 0.000 0.228 721 G C -0.132 174.773 174.900 0.009 0.000 1.000 721 G CA -0.283 44.749 45.100 -0.114 0.000 0.693 721 G HN 0.366 nan 8.290 nan 0.000 0.515 722 Y N 0.409 120.752 120.300 0.071 0.000 2.336 722 Y HA 0.564 5.114 4.550 0.001 0.000 0.331 722 Y C 1.183 177.183 175.900 0.167 0.000 1.211 722 Y CA -0.305 57.843 58.100 0.080 0.000 1.346 722 Y CB 0.880 39.374 38.460 0.057 0.000 1.271 722 Y HN 0.126 nan 8.280 nan 0.000 0.538 723 K N 0.531 121.134 120.400 0.337 0.000 2.054 723 K HA 0.247 4.567 4.320 0.001 0.000 0.248 723 K C -0.406 176.369 176.600 0.291 0.000 1.019 723 K CA -1.214 55.229 56.287 0.260 0.000 0.855 723 K CB 0.860 33.453 32.500 0.155 0.000 1.473 723 K HN 0.487 nan 8.250 nan 0.000 0.483 724 K N 0.542 121.049 120.400 0.180 0.000 3.025 724 K HA 0.138 4.459 4.320 0.001 0.000 0.260 724 K C 0.409 177.084 176.600 0.125 0.000 1.023 724 K CA 0.279 56.651 56.287 0.143 0.000 1.194 724 K CB 0.024 32.556 32.500 0.053 0.000 1.094 724 K HN 0.686 nan 8.250 nan 0.000 0.460 725 G N 0.836 109.717 108.800 0.134 0.000 2.687 725 G HA2 -0.091 3.870 3.960 0.001 0.000 0.201 725 G HA3 -0.091 3.870 3.960 0.001 0.000 0.201 725 G C 1.428 176.354 174.900 0.043 0.000 1.211 725 G CA -0.351 44.803 45.100 0.090 0.000 0.637 725 G HN 0.221 nan 8.290 nan 0.000 0.900 726 R N 0.462 120.928 120.500 -0.056 0.000 2.096 726 R HA 0.121 4.461 4.340 0.001 0.000 0.235 726 R C 1.487 177.567 176.300 -0.366 0.000 1.127 726 R CA 1.155 57.064 56.100 -0.318 0.000 0.968 726 R CB -0.691 29.202 30.300 -0.678 0.000 0.861 726 R HN 0.369 nan 8.270 nan 0.000 0.440 727 F N -0.099 119.825 119.950 -0.042 0.000 2.773 727 F HA 0.261 4.789 4.527 0.001 0.000 0.304 727 F C 1.100 177.037 175.800 0.229 0.000 1.129 727 F CA -0.115 57.853 58.000 -0.054 0.000 1.378 727 F CB -0.012 38.867 39.000 -0.202 0.000 1.095 727 F HN -0.082 nan 8.300 nan 0.000 0.565 728 S N -0.478 115.438 115.700 0.360 0.000 2.608 728 S HA 0.071 4.542 4.470 0.001 0.000 0.261 728 S C 0.688 175.591 174.600 0.504 0.000 1.314 728 S CA -0.394 58.053 58.200 0.412 0.000 0.992 728 S CB 0.643 63.984 63.200 0.234 0.000 0.935 728 S HN 0.276 nan 8.310 nan 0.000 0.564 729 F N 1.556 121.668 119.950 0.269 0.000 2.678 729 F HA 0.357 4.885 4.527 0.001 0.000 0.291 729 F C 1.573 177.360 175.800 -0.022 0.000 1.123 729 F CA 0.343 58.361 58.000 0.029 0.000 1.395 729 F CB 0.116 39.064 39.000 -0.086 0.000 1.121 729 F HN 0.497 nan 8.300 nan 0.000 0.592 730 N N -0.256 118.493 118.700 0.081 0.000 2.508 730 N HA 0.085 4.826 4.740 0.001 0.000 0.186 730 N C 0.292 175.790 175.510 -0.020 0.000 1.034 730 N CA 0.515 53.564 53.050 -0.002 0.000 0.885 730 N CB -0.277 38.253 38.487 0.072 0.000 1.135 730 N HN -0.107 nan 8.380 nan 0.000 0.435 731 V N 2.727 122.657 119.914 0.027 0.000 2.872 731 V HA -0.043 4.078 4.120 0.001 0.000 0.307 731 V C 1.843 177.934 176.094 -0.005 0.000 1.072 731 V CA 0.086 62.397 62.300 0.018 0.000 1.148 731 V CB 1.015 32.863 31.823 0.042 0.000 0.954 731 V HN 0.257 nan 8.190 nan 0.000 0.490 732 K N 2.577 122.973 120.400 -0.006 0.000 2.211 732 K HA -0.151 4.170 4.320 0.001 0.000 0.204 732 K C 1.892 178.483 176.600 -0.016 0.000 1.047 732 K CA 1.383 57.663 56.287 -0.011 0.000 0.935 732 K CB -0.660 31.838 32.500 -0.002 0.000 0.728 732 K HN 0.955 nan 8.250 nan 0.000 0.452 733 G N 0.209 109.003 108.800 -0.011 0.000 2.907 733 G HA2 -0.336 3.624 3.960 0.001 0.000 0.235 733 G HA3 -0.336 3.624 3.960 0.001 0.000 0.235 733 G C 1.092 175.951 174.900 -0.068 0.000 1.198 733 G CA 1.368 46.449 45.100 -0.032 0.000 0.766 733 G HN 0.507 nan 8.290 nan 0.000 0.763 734 G N -0.378 108.375 108.800 -0.077 0.000 3.441 734 G HA2 0.402 4.363 3.960 0.001 0.000 0.263 734 G HA3 0.402 4.363 3.960 0.001 0.000 0.263 734 G C 0.716 175.647 174.900 0.052 0.000 1.014 734 G CA 0.434 45.484 45.100 -0.084 0.000 0.833 734 G HN 0.848 nan 8.290 nan 0.000 0.514 735 R N -1.217 119.279 120.500 -0.005 0.000 2.822 735 R HA 0.370 4.710 4.340 0.001 0.000 0.277 735 R C -0.174 176.051 176.300 -0.126 0.000 1.102 735 R CA -0.391 55.621 56.100 -0.148 0.000 1.207 735 R CB 0.018 30.163 30.300 -0.258 0.000 1.139 735 R HN 0.018 nan 8.270 nan 0.000 0.557 736 C N 2.126 121.308 119.300 -0.196 0.000 2.349 736 C HA 0.152 4.612 4.460 0.001 0.000 0.348 736 C C 1.482 176.366 174.990 -0.176 0.000 1.223 736 C CA -0.534 58.396 59.018 -0.147 0.000 1.746 736 C CB -0.428 27.224 27.740 -0.147 0.000 2.360 736 C HN 0.909 nan 8.230 nan 0.000 0.533 737 E N 3.296 123.412 120.200 -0.140 0.000 2.160 737 E HA -0.150 4.201 4.350 0.001 0.000 0.195 737 E C 2.207 178.588 176.600 -0.364 0.000 0.991 737 E CA 1.529 57.827 56.400 -0.170 0.000 0.810 737 E CB -0.212 29.436 29.700 -0.087 0.000 0.742 737 E HN 0.925 nan 8.360 nan 0.000 0.466 738 A N 0.914 123.568 122.820 -0.276 0.000 1.933 738 A HA -0.184 4.137 4.320 0.001 0.000 0.218 738 A C 2.461 179.816 177.584 -0.381 0.000 1.175 738 A CA 1.662 53.526 52.037 -0.289 0.000 0.628 738 A CB -0.583 18.315 19.000 -0.171 0.000 0.814 738 A HN 0.497 nan 8.150 nan 0.000 0.444 739 C N -4.891 114.210 119.300 -0.332 0.000 3.038 739 C HA 0.435 4.896 4.460 0.001 0.000 0.279 739 C C 0.749 175.616 174.990 -0.205 0.000 1.276 739 C CA 0.048 58.920 59.018 -0.243 0.000 1.697 739 C CB -1.173 26.478 27.740 -0.149 0.000 2.032 739 C HN 0.675 nan 8.230 nan 0.000 0.636 740 H N 0.835 119.826 119.070 -0.131 0.000 2.839 740 H HA -0.146 4.411 4.556 0.001 0.000 0.298 740 H C 1.616 176.796 175.328 -0.246 0.000 1.224 740 H CA 1.520 57.478 56.048 -0.150 0.000 1.144 740 H CB -1.680 28.020 29.762 -0.103 0.000 1.372 740 H HN 1.183 nan 8.280 nan 0.000 0.408 741 G N -0.684 107.941 108.800 -0.291 0.000 2.299 741 G HA2 -0.359 3.601 3.960 0.001 0.000 0.237 741 G HA3 -0.359 3.601 3.960 0.001 0.000 0.237 741 G C 1.082 175.518 174.900 -0.773 0.000 1.027 741 G CA 0.558 45.277 45.100 -0.635 0.000 0.619 741 G HN 0.471 nan 8.290 nan 0.000 0.513 742 D N 0.855 121.052 120.400 -0.339 0.000 2.106 742 D HA 0.017 4.657 4.640 0.001 0.000 0.191 742 D C 2.403 178.676 176.300 -0.045 0.000 0.997 742 D CA 3.031 56.957 54.000 -0.123 0.000 0.834 742 D CB -0.678 40.119 40.800 -0.005 0.000 0.956 742 D HN 1.610 nan 8.370 nan 0.000 0.448 743 G N 0.170 108.913 108.800 -0.096 0.000 2.284 743 G HA2 -0.291 3.669 3.960 0.001 0.000 0.247 743 G HA3 -0.291 3.669 3.960 0.001 0.000 0.247 743 G C 0.448 175.352 174.900 0.007 0.000 1.012 743 G CA 0.406 45.483 45.100 -0.039 0.000 0.618 743 G HN 0.394 nan 8.290 nan 0.000 0.521 744 I N 1.641 122.234 120.570 0.038 0.000 2.468 744 I HA 0.446 4.617 4.170 0.001 0.000 0.285 744 I C 0.133 176.350 176.117 0.167 0.000 1.039 744 I CA -0.973 60.385 61.300 0.097 0.000 1.074 744 I CB 1.716 39.762 38.000 0.078 0.000 1.228 744 I HN -0.033 nan 8.210 nan 0.000 0.436 745 I N 5.488 126.129 120.570 0.119 0.000 2.441 745 I HA 0.180 4.351 4.170 0.001 0.000 0.287 745 I C 0.480 176.644 176.117 0.079 0.000 1.049 745 I CA -0.394 60.956 61.300 0.083 0.000 1.381 745 I CB 0.993 39.002 38.000 0.015 0.000 1.409 745 I HN 0.551 nan 8.210 nan 0.000 0.523 746 K N 6.391 126.779 120.400 -0.020 0.000 2.276 746 K HA 0.348 4.669 4.320 0.001 0.000 0.285 746 K C -0.848 175.644 176.600 -0.181 0.000 1.062 746 K CA -0.545 55.561 56.287 -0.301 0.000 0.918 746 K CB 0.862 33.125 32.500 -0.395 0.000 1.055 746 K HN 0.427 nan 8.250 nan 0.000 0.477 747 I N 3.292 123.756 120.570 -0.176 0.000 2.488 747 I HA 0.209 4.380 4.170 0.001 0.000 0.299 747 I C -0.025 176.030 176.117 -0.102 0.000 0.984 747 I CA -0.414 60.841 61.300 -0.075 0.000 1.250 747 I CB 1.511 39.508 38.000 -0.005 0.000 1.389 747 I HN 0.753 nan 8.210 nan 0.000 0.488 751 F N 1.516 121.526 119.950 0.101 0.000 2.335 751 F HA 0.199 4.727 4.527 0.001 0.000 0.296 751 F C 0.753 176.581 175.800 0.048 0.000 1.091 751 F CA 0.514 58.551 58.000 0.061 0.000 1.399 751 F CB 0.411 39.444 39.000 0.055 0.000 1.067 751 F HN -0.088 nan 8.300 nan 0.000 0.520 752 L N 1.246 122.587 121.223 0.196 0.000 2.439 752 L HA 0.255 4.595 4.340 0.001 0.000 0.261 752 L C -1.784 175.126 176.870 0.067 0.000 1.153 752 L CA -2.148 52.770 54.840 0.130 0.000 0.808 752 L CB 0.094 42.216 42.059 0.105 0.000 1.126 752 L HN -0.181 nan 8.230 nan 0.000 0.460 753 P HA 0.092 nan 4.420 nan 0.000 0.274 753 P C -1.112 176.192 177.300 0.007 0.000 1.237 753 P CA -0.527 62.599 63.100 0.044 0.000 0.793 753 P CB 0.502 32.247 31.700 0.076 0.000 0.977 754 D N -0.098 120.281 120.400 -0.035 0.000 2.390 754 D HA 0.167 4.807 4.640 0.001 0.000 0.236 754 D C 0.029 176.282 176.300 -0.078 0.000 1.189 754 D CA 0.416 54.357 54.000 -0.099 0.000 0.887 754 D CB 0.405 41.105 40.800 -0.167 0.000 1.198 754 D HN -0.002 nan 8.370 nan 0.000 0.444 755 V N 1.213 121.050 119.914 -0.128 0.000 2.962 755 V HA 0.272 4.392 4.120 0.001 0.000 0.313 755 V C -1.070 174.932 176.094 -0.154 0.000 1.099 755 V CA -0.825 61.444 62.300 -0.051 0.000 0.971 755 V CB 1.798 33.635 31.823 0.023 0.000 1.028 755 V HN 0.361 nan 8.190 nan 0.000 0.430 756 Y N 1.878 122.198 120.300 0.034 0.000 2.356 756 Y HA 0.602 5.153 4.550 0.001 0.000 0.334 756 Y C -0.012 175.902 175.900 0.023 0.000 0.958 756 Y CA -0.543 57.572 58.100 0.026 0.000 1.196 756 Y CB 1.909 40.386 38.460 0.027 0.000 1.137 756 Y HN 0.332 nan 8.280 nan 0.000 0.485 757 V N 6.791 126.787 119.914 0.138 0.000 2.398 757 V HA 0.373 4.493 4.120 0.001 0.000 0.286 757 V C -2.140 173.996 176.094 0.070 0.000 1.026 757 V CA -2.539 59.808 62.300 0.078 0.000 0.868 757 V CB 1.590 33.426 31.823 0.021 0.000 0.982 757 V HN 0.579 nan 8.190 nan 0.000 0.443 758 P HA -0.059 nan 4.420 nan 0.000 0.263 758 P C -0.051 177.243 177.300 -0.009 0.000 1.175 758 P CA -0.070 63.051 63.100 0.036 0.000 0.761 758 P CB 0.143 31.867 31.700 0.040 0.000 0.794 759 C N 4.713 124.001 119.300 -0.020 0.000 2.677 759 C HA 0.032 4.493 4.460 0.001 0.000 0.398 759 C C 1.654 176.567 174.990 -0.129 0.000 1.378 759 C CA -0.239 58.740 59.018 -0.065 0.000 1.543 759 C CB -1.887 25.813 27.740 -0.067 0.000 2.356 759 C HN 0.584 nan 8.230 nan 0.000 0.609 760 E N 3.507 123.610 120.200 -0.162 0.000 2.515 760 E HA -0.082 4.269 4.350 0.001 0.000 0.201 760 E C 1.186 177.574 176.600 -0.354 0.000 1.071 760 E CA 0.851 57.080 56.400 -0.285 0.000 0.880 760 E CB -0.365 29.218 29.700 -0.196 0.000 0.828 760 E HN 0.576 nan 8.360 nan 0.000 0.540 761 V N 0.227 120.010 119.914 -0.217 0.000 2.599 761 V HA -0.095 4.025 4.120 0.001 0.000 0.245 761 V C 1.915 177.961 176.094 -0.081 0.000 1.046 761 V CA 1.195 63.409 62.300 -0.143 0.000 1.065 761 V CB -0.008 31.755 31.823 -0.100 0.000 0.703 761 V HN 0.748 nan 8.190 nan 0.000 0.464 762 C N -1.663 117.599 119.300 -0.063 0.000 3.125 762 C HA 0.418 4.878 4.460 0.001 0.000 0.284 762 C C 1.020 176.099 174.990 0.147 0.000 1.386 762 C CA -0.648 58.407 59.018 0.061 0.000 1.763 762 C CB -1.512 26.246 27.740 0.031 0.000 2.377 762 C HN 0.697 nan 8.230 nan 0.000 0.620 763 H N 1.111 120.187 119.070 0.010 0.000 2.690 763 H HA -0.206 4.351 4.556 0.001 0.000 0.309 763 H C 1.685 177.028 175.328 0.026 0.000 1.138 763 H CA 1.573 57.631 56.048 0.018 0.000 1.142 763 H CB -1.538 28.237 29.762 0.023 0.000 1.410 763 H HN 1.246 nan 8.280 nan 0.000 0.409 764 G N -0.225 108.624 108.800 0.083 0.000 2.184 764 G HA2 -0.377 3.584 3.960 0.001 0.000 0.264 764 G HA3 -0.377 3.584 3.960 0.001 0.000 0.264 764 G C 1.303 176.255 174.900 0.086 0.000 0.975 764 G CA 0.603 45.744 45.100 0.069 0.000 0.642 764 G HN 0.398 nan 8.290 nan 0.000 0.536 765 K N 0.090 120.558 120.400 0.113 0.000 2.362 765 K HA 0.065 4.386 4.320 0.001 0.000 0.200 765 K C 1.891 178.595 176.600 0.173 0.000 1.046 765 K CA 1.110 57.488 56.287 0.150 0.000 0.952 765 K CB -0.148 32.453 32.500 0.170 0.000 0.753 765 K HN 0.719 nan 8.250 nan 0.000 0.466 766 R N -2.662 117.863 120.500 0.042 0.000 3.590 766 R HA -0.198 4.143 4.340 0.001 0.000 0.463 766 R C -0.472 175.539 176.300 -0.482 0.000 0.657 766 R CA 1.389 57.385 56.100 -0.174 0.000 1.512 766 R CB -1.414 28.850 30.300 -0.059 0.000 2.154 766 R HN 0.146 nan 8.270 nan 0.000 0.409 767 Y N 0.658 120.967 120.300 0.015 0.000 2.581 767 Y HA 0.325 4.876 4.550 0.001 0.000 0.345 767 Y C 0.639 176.527 175.900 -0.021 0.000 1.036 767 Y CA -1.079 57.009 58.100 -0.020 0.000 1.042 767 Y CB 0.881 39.339 38.460 -0.003 0.000 1.289 767 Y HN 0.076 nan 8.280 nan 0.000 0.471 768 N N 0.110 118.881 118.700 0.118 0.000 2.255 768 N HA 0.128 4.868 4.740 0.001 0.000 0.253 768 N C 0.364 175.917 175.510 0.071 0.000 1.313 768 N CA -0.371 52.714 53.050 0.058 0.000 0.912 768 N CB 0.563 39.060 38.487 0.017 0.000 1.145 768 N HN 0.607 nan 8.380 nan 0.000 0.511 769 R N -0.891 119.641 120.500 0.054 0.000 2.280 769 R HA -0.002 4.338 4.340 0.001 0.000 0.207 769 R C 0.719 177.050 176.300 0.053 0.000 1.043 769 R CA 0.969 57.104 56.100 0.059 0.000 1.006 769 R CB -0.222 30.110 30.300 0.054 0.000 0.885 769 R HN 0.709 nan 8.270 nan 0.000 0.467 770 E N -0.539 119.683 120.200 0.036 0.000 2.364 770 E HA 0.020 4.371 4.350 0.001 0.000 0.196 770 E C 1.207 177.803 176.600 -0.007 0.000 0.990 770 E CA 0.675 57.101 56.400 0.044 0.000 0.886 770 E CB 0.456 30.186 29.700 0.051 0.000 0.866 770 E HN 0.186 nan 8.360 nan 0.000 0.493 771 T N 2.178 116.670 114.554 -0.103 0.000 2.814 771 T HA -0.073 4.278 4.350 0.001 0.000 0.254 771 T C 1.694 176.296 174.700 -0.162 0.000 1.037 771 T CA 0.739 62.647 62.100 -0.320 0.000 1.143 771 T CB -0.154 68.516 68.868 -0.330 0.000 0.866 771 T HN 0.104 nan 8.240 nan 0.000 0.431 772 L N 1.050 122.248 121.223 -0.041 0.000 2.675 772 L HA 0.328 4.668 4.340 0.001 0.000 0.238 772 L C 1.483 178.431 176.870 0.130 0.000 1.155 772 L CA 0.719 55.587 54.840 0.046 0.000 0.881 772 L CB -1.141 40.952 42.059 0.057 0.000 1.008 772 L HN 0.142 nan 8.230 nan 0.000 0.443 773 E N 0.149 120.432 120.200 0.138 0.000 2.274 773 E HA 0.024 4.374 4.350 0.001 0.000 0.194 773 E C 0.296 177.023 176.600 0.213 0.000 0.996 773 E CA 0.275 56.769 56.400 0.157 0.000 0.840 773 E CB 0.104 29.891 29.700 0.145 0.000 0.772 773 E HN 0.413 nan 8.360 nan 0.000 0.491 774 V N 2.135 122.236 119.914 0.311 0.000 2.446 774 V HA 0.014 4.135 4.120 0.001 0.000 0.276 774 V C 0.347 176.655 176.094 0.355 0.000 1.030 774 V CA 0.420 62.952 62.300 0.386 0.000 1.033 774 V CB 0.984 33.202 31.823 0.657 0.000 0.993 774 V HN 0.044 nan 8.190 nan 0.000 0.477 775 T N 5.176 119.873 114.554 0.239 0.000 2.855 775 T HA 0.559 4.910 4.350 0.001 0.000 0.281 775 T C -1.217 173.550 174.700 0.112 0.000 1.007 775 T CA -0.438 61.780 62.100 0.197 0.000 1.009 775 T CB 0.808 69.754 68.868 0.130 0.000 0.983 775 T HN 0.586 nan 8.240 nan 0.000 0.455 776 Y N 4.148 124.386 120.300 -0.104 0.000 2.402 776 Y HA 0.416 4.967 4.550 0.001 0.000 0.325 776 Y C 0.082 175.948 175.900 -0.056 0.000 1.009 776 Y CA -0.753 57.197 58.100 -0.251 0.000 1.278 776 Y CB 0.399 38.407 38.460 -0.753 0.000 1.105 776 Y HN 0.905 nan 8.280 nan 0.000 0.476 777 K N 4.601 124.764 120.400 -0.396 0.000 3.239 777 K HA -0.182 4.138 4.320 0.001 0.000 0.270 777 K C 0.836 177.413 176.600 -0.039 0.000 1.083 777 K CA 0.765 56.862 56.287 -0.316 0.000 0.782 777 K CB -1.669 30.498 32.500 -0.554 0.000 1.290 777 K HN 1.358 nan 8.250 nan 0.000 0.474 778 G N 0.018 108.810 108.800 -0.013 0.000 2.200 778 G HA2 -0.351 3.610 3.960 0.001 0.000 0.267 778 G HA3 -0.351 3.610 3.960 0.001 0.000 0.267 778 G C -0.199 174.760 174.900 0.099 0.000 0.993 778 G CA 1.047 46.172 45.100 0.042 0.000 0.701 778 G HN 0.247 nan 8.290 nan 0.000 0.524 779 K N 0.355 120.849 120.400 0.155 0.000 2.443 779 K HA 0.355 4.676 4.320 0.001 0.000 0.252 779 K C 0.089 176.855 176.600 0.276 0.000 0.933 779 K CA -0.769 55.626 56.287 0.179 0.000 0.792 779 K CB 1.756 34.338 32.500 0.137 0.000 1.185 779 K HN 0.371 nan 8.250 nan 0.000 0.425 780 N N 1.178 120.028 118.700 0.250 0.000 2.405 780 N HA 0.181 4.922 4.740 0.001 0.000 0.269 780 N C 1.046 176.723 175.510 0.278 0.000 1.249 780 N CA -0.621 52.626 53.050 0.327 0.000 0.974 780 N CB 0.601 39.209 38.487 0.203 0.000 1.204 780 N HN 0.616 nan 8.380 nan 0.000 0.565 781 I N -1.086 119.501 120.570 0.028 0.000 2.454 781 I HA -0.248 3.923 4.170 0.001 0.000 0.254 781 I C 1.860 177.949 176.117 -0.047 0.000 1.156 781 I CA 1.337 62.399 61.300 -0.397 0.000 1.433 781 I CB -0.323 37.250 38.000 -0.713 0.000 1.082 781 I HN 0.705 nan 8.210 nan 0.000 0.432 782 A N 0.495 123.351 122.820 0.060 0.000 1.841 782 A HA -0.223 4.097 4.320 0.001 0.000 0.214 782 A C 2.139 179.785 177.584 0.102 0.000 1.195 782 A CA 1.717 53.849 52.037 0.158 0.000 0.611 782 A CB -0.688 18.422 19.000 0.182 0.000 0.835 782 A HN 0.523 nan 8.150 nan 0.000 0.443 783 E N -0.576 119.675 120.200 0.084 0.000 2.153 783 E HA -0.117 4.234 4.350 0.001 0.000 0.194 783 E C 1.869 178.472 176.600 0.004 0.000 0.988 783 E CA 1.050 57.478 56.400 0.048 0.000 0.811 783 E CB -0.257 29.472 29.700 0.049 0.000 0.746 783 E HN 0.394 nan 8.360 nan 0.000 0.466 784 V N 0.890 120.818 119.914 0.024 0.000 2.548 784 V HA -0.162 3.959 4.120 0.001 0.000 0.249 784 V C 1.959 178.081 176.094 0.046 0.000 1.055 784 V CA 1.127 63.418 62.300 -0.015 0.000 1.065 784 V CB 0.011 31.933 31.823 0.164 0.000 0.681 784 V HN 0.183 nan 8.190 nan 0.000 0.462 785 L N 0.145 121.407 121.223 0.065 0.000 2.313 785 L HA 0.197 4.537 4.340 0.001 0.000 0.214 785 L C 1.148 178.018 176.870 0.000 0.000 1.119 785 L CA 1.278 56.144 54.840 0.042 0.000 0.809 785 L CB -0.458 41.621 42.059 0.034 0.000 0.933 785 L HN 0.476 nan 8.230 nan 0.000 0.449 789 V N 0.874 120.822 119.914 0.057 0.000 2.358 789 V HA -0.118 4.003 4.120 0.001 0.000 0.246 789 V C 2.539 178.738 176.094 0.176 0.000 1.047 789 V CA 2.486 64.839 62.300 0.089 0.000 1.035 789 V CB -0.499 31.344 31.823 0.033 0.000 0.658 789 V HN 0.975 nan 8.190 nan 0.000 0.452 790 E N 0.067 120.393 120.200 0.210 0.000 2.051 790 E HA -0.259 4.092 4.350 0.001 0.000 0.192 790 E C 1.837 178.559 176.600 0.202 0.000 0.991 790 E CA 1.592 58.165 56.400 0.287 0.000 0.799 790 E CB -0.093 29.795 29.700 0.312 0.000 0.748 790 E HN 0.590 nan 8.360 nan 0.000 0.449 791 D N 0.160 120.665 120.400 0.174 0.000 2.178 791 D HA -0.108 4.533 4.640 0.001 0.000 0.202 791 D C 1.801 178.210 176.300 0.182 0.000 0.974 791 D CA 1.142 55.235 54.000 0.156 0.000 0.841 791 D CB -0.118 40.754 40.800 0.121 0.000 0.953 791 D HN 0.303 nan 8.370 nan 0.000 0.478 792 A N 1.310 124.248 122.820 0.197 0.000 1.898 792 A HA -0.139 4.181 4.320 0.001 0.000 0.216 792 A C 2.180 180.005 177.584 0.401 0.000 1.181 792 A CA 1.220 53.443 52.037 0.309 0.000 0.620 792 A CB -0.624 18.559 19.000 0.304 0.000 0.819 792 A HN 0.296 nan 8.150 nan 0.000 0.442 793 L N -1.407 119.973 121.223 0.262 0.000 2.275 793 L HA -0.006 4.335 4.340 0.001 0.000 0.215 793 L C 1.507 178.471 176.870 0.157 0.000 1.119 793 L CA 2.362 57.323 54.840 0.202 0.000 0.790 793 L CB -1.058 41.050 42.059 0.082 0.000 0.919 793 L HN 0.247 nan 8.230 nan 0.000 0.443 794 D N -0.558 119.930 120.400 0.148 0.000 2.162 794 D HA -0.178 4.462 4.640 0.001 0.000 0.203 794 D C 1.927 178.280 176.300 0.088 0.000 0.967 794 D CA 0.803 54.860 54.000 0.095 0.000 0.840 794 D CB -0.148 40.708 40.800 0.093 0.000 0.972 794 D HN 0.363 nan 8.370 nan 0.000 0.482 795 F N -0.355 119.574 119.950 -0.035 0.000 2.206 795 F HA 0.088 4.615 4.527 0.000 0.000 0.298 795 F C 0.779 176.387 175.800 -0.321 0.000 1.090 795 F CA 0.902 58.779 58.000 -0.206 0.000 1.323 795 F CB 0.032 38.860 39.000 -0.287 0.000 1.028 795 F HN -0.177 nan 8.300 nan 0.000 0.492 796 F N 0.030 120.131 119.950 0.252 0.000 2.883 796 F HA 0.385 4.912 4.527 0.001 0.000 0.312 796 F C 1.323 177.154 175.800 0.051 0.000 1.246 796 F CA -0.056 58.035 58.000 0.151 0.000 1.238 796 F CB -0.229 38.893 39.000 0.203 0.000 1.195 796 F HN 0.023 nan 8.300 nan 0.000 0.526 797 A N -0.027 122.850 122.820 0.095 0.000 1.897 797 A HA -0.124 4.196 4.320 0.001 0.000 0.215 797 A C 2.352 179.960 177.584 0.039 0.000 1.181 797 A CA 1.818 53.884 52.037 0.048 0.000 0.620 797 A CB -0.657 18.339 19.000 -0.006 0.000 0.821 797 A HN 0.472 nan 8.150 nan 0.000 0.443 798 S N 0.122 115.837 115.700 0.025 0.000 2.338 798 S HA 0.012 4.483 4.470 0.001 0.000 0.218 798 S C 0.887 175.520 174.600 0.055 0.000 1.032 798 S CA 0.477 58.690 58.200 0.022 0.000 0.999 798 S CB -0.702 62.495 63.200 -0.004 0.000 0.905 798 S HN 0.272 nan 8.310 nan 0.000 0.439 799 I N 4.874 125.509 120.570 0.109 0.000 2.872 799 I HA 0.043 4.214 4.170 0.001 0.000 0.287 799 I C -1.362 174.790 176.117 0.058 0.000 1.197 799 I CA -1.412 59.949 61.300 0.101 0.000 1.390 799 I CB -0.269 37.830 38.000 0.165 0.000 1.400 799 I HN 0.314 nan 8.210 nan 0.000 0.544 800 P HA -0.043 nan 4.420 nan 0.000 0.240 800 P C 1.152 178.437 177.300 -0.025 0.000 1.190 800 P CA 0.554 63.655 63.100 0.001 0.000 0.781 800 P CB 0.560 32.260 31.700 0.000 0.000 0.931 801 K N 0.209 120.590 120.400 -0.032 0.000 2.168 801 K HA 0.118 4.439 4.320 0.001 0.000 0.201 801 K C 1.981 178.532 176.600 -0.083 0.000 1.049 801 K CA 0.635 56.887 56.287 -0.058 0.000 0.974 801 K CB -0.883 31.587 32.500 -0.049 0.000 0.792 801 K HN -0.136 nan 8.250 nan 0.000 0.463 802 I N 1.438 121.954 120.570 -0.090 0.000 2.315 802 I HA -0.174 3.996 4.170 0.001 0.000 0.248 802 I C 2.135 178.195 176.117 -0.095 0.000 1.117 802 I CA 1.219 62.428 61.300 -0.151 0.000 1.404 802 I CB -0.741 37.083 38.000 -0.293 0.000 1.071 802 I HN 0.289 nan 8.210 nan 0.000 0.419 803 K N 1.140 121.522 120.400 -0.030 0.000 2.097 803 K HA -0.138 4.183 4.320 0.001 0.000 0.205 803 K C 2.262 178.835 176.600 -0.045 0.000 1.050 803 K CA 1.101 57.390 56.287 0.003 0.000 0.938 803 K CB 0.053 32.569 32.500 0.027 0.000 0.718 803 K HN 0.192 nan 8.250 nan 0.000 0.442 804 R N 0.420 120.863 120.500 -0.096 0.000 2.120 804 R HA -0.098 4.242 4.340 0.001 0.000 0.234 804 R C 2.154 178.356 176.300 -0.165 0.000 1.123 804 R CA 1.474 57.465 56.100 -0.182 0.000 0.975 804 R CB -0.050 30.060 30.300 -0.316 0.000 0.866 804 R HN 0.182 nan 8.270 nan 0.000 0.446 805 K N 0.433 120.765 120.400 -0.114 0.000 2.167 805 K HA -0.005 4.315 4.320 0.001 0.000 0.203 805 K C 2.052 178.638 176.600 -0.024 0.000 1.052 805 K CA 0.807 57.054 56.287 -0.067 0.000 0.956 805 K CB 0.043 32.505 32.500 -0.063 0.000 0.735 805 K HN 0.147 nan 8.250 nan 0.000 0.451 806 L N 1.015 122.228 121.223 -0.016 0.000 2.156 806 L HA -0.114 4.226 4.340 0.001 0.000 0.208 806 L C 2.007 178.911 176.870 0.057 0.000 1.095 806 L CA 1.090 55.948 54.840 0.029 0.000 0.770 806 L CB -0.292 41.801 42.059 0.057 0.000 0.914 806 L HN 0.203 nan 8.230 nan 0.000 0.439 807 E N -0.200 120.015 120.200 0.025 0.000 2.204 807 E HA -0.198 4.152 4.350 0.001 0.000 0.195 807 E C 2.147 178.800 176.600 0.089 0.000 0.990 807 E CA 1.757 58.180 56.400 0.039 0.000 0.821 807 E CB -0.040 29.659 29.700 -0.002 0.000 0.750 807 E HN 0.605 nan 8.360 nan 0.000 0.477 808 T N -0.193 114.398 114.554 0.061 0.000 2.701 808 T HA -0.126 4.224 4.350 0.001 0.000 0.263 808 T C 2.023 176.762 174.700 0.064 0.000 1.040 808 T CA 0.719 62.861 62.100 0.070 0.000 1.147 808 T CB -0.522 68.381 68.868 0.059 0.000 0.865 808 T HN 0.067 nan 8.240 nan 0.000 0.426 809 L N -0.666 120.588 121.223 0.052 0.000 2.127 809 L HA -0.035 4.306 4.340 0.001 0.000 0.211 809 L C 2.638 179.529 176.870 0.035 0.000 1.089 809 L CA 1.685 56.536 54.840 0.019 0.000 0.757 809 L CB -0.672 41.390 42.059 0.003 0.000 0.899 809 L HN 0.272 nan 8.230 nan 0.000 0.434 810 Y N 0.951 121.236 120.300 -0.025 0.000 2.153 810 Y HA -0.225 4.326 4.550 0.001 0.000 0.289 810 Y C 2.330 178.227 175.900 -0.006 0.000 1.127 810 Y CA 1.671 59.763 58.100 -0.014 0.000 1.131 810 Y CB -0.082 38.382 38.460 0.005 0.000 0.995 810 Y HN 0.177 nan 8.280 nan 0.000 0.505 811 D N -0.319 120.234 120.400 0.254 0.000 2.123 811 D HA -0.214 4.427 4.640 0.001 0.000 0.196 811 D C 2.470 178.793 176.300 0.039 0.000 0.992 811 D CA 1.596 55.688 54.000 0.153 0.000 0.833 811 D CB -0.815 40.065 40.800 0.132 0.000 0.954 811 D HN 0.284 nan 8.370 nan 0.000 0.455 812 V N -0.159 119.765 119.914 0.018 0.000 2.311 812 V HA -0.239 3.882 4.120 0.001 0.000 0.256 812 V C 2.044 178.111 176.094 -0.045 0.000 1.077 812 V CA 2.410 64.696 62.300 -0.023 0.000 1.067 812 V CB -0.544 31.255 31.823 -0.039 0.000 0.659 812 V HN 0.569 nan 8.190 nan 0.000 0.451 813 G N -3.341 105.412 108.800 -0.078 0.000 2.738 813 G HA2 -0.118 3.843 3.960 0.001 0.000 0.195 813 G HA3 -0.118 3.843 3.960 0.001 0.000 0.195 813 G C 0.079 174.932 174.900 -0.079 0.000 1.001 813 G CA 0.113 45.172 45.100 -0.069 0.000 0.759 813 G HN 0.239 nan 8.290 nan 0.000 0.494 814 L N 0.566 121.669 121.223 -0.201 0.000 2.504 814 L HA 0.693 5.033 4.340 0.001 0.000 0.170 814 L C 2.633 179.281 176.870 -0.370 0.000 1.382 814 L CA 2.380 56.944 54.840 -0.461 0.000 3.039 814 L CB -1.136 40.640 42.059 -0.471 0.000 2.961 814 L HN 1.232 nan 8.230 nan 0.000 1.046 815 G N -2.342 106.274 108.800 -0.308 0.000 2.320 815 G HA2 -0.299 3.661 3.960 0.001 0.000 0.242 815 G HA3 -0.299 3.661 3.960 0.001 0.000 0.242 815 G C 0.199 175.072 174.900 -0.045 0.000 1.033 815 G CA 0.494 45.502 45.100 -0.154 0.000 0.620 815 G HN 0.644 nan 8.290 nan 0.000 0.517 819 L N 0.535 121.726 121.223 -0.054 0.000 2.093 819 L HA -0.094 4.247 4.340 0.001 0.000 0.208 819 L C 2.061 178.852 176.870 -0.131 0.000 1.085 819 L CA 2.139 56.938 54.840 -0.067 0.000 0.755 819 L CB -0.352 41.698 42.059 -0.015 0.000 0.904 819 L HN 1.003 nan 8.230 nan 0.000 0.435 820 G N -1.242 107.475 108.800 -0.139 0.000 2.572 820 G HA2 -0.168 3.792 3.960 0.001 0.000 0.216 820 G HA3 -0.168 3.792 3.960 0.001 0.000 0.216 820 G C 0.807 175.581 174.900 -0.209 0.000 1.133 820 G CA -0.338 44.630 45.100 -0.220 0.000 0.791 820 G HN 0.312 nan 8.290 nan 0.000 0.538 821 Q N 1.475 121.183 119.800 -0.153 0.000 2.478 821 Q HA 0.017 4.357 4.340 0.001 0.000 0.323 821 Q C -2.222 173.676 176.000 -0.170 0.000 1.087 821 Q CA -1.054 54.662 55.803 -0.145 0.000 1.056 821 Q CB 0.430 29.092 28.738 -0.126 0.000 1.018 821 Q HN 0.095 nan 8.270 nan 0.000 0.387 822 P HA -0.070 nan 4.420 nan 0.000 0.262 822 P C -0.220 176.983 177.300 -0.163 0.000 1.199 822 P CA 0.369 63.356 63.100 -0.189 0.000 0.763 822 P CB 0.862 32.416 31.700 -0.243 0.000 0.790 823 A N 4.209 126.946 122.820 -0.139 0.000 1.971 823 A HA -0.284 4.037 4.320 0.001 0.000 0.222 823 A C 2.093 179.619 177.584 -0.097 0.000 1.182 823 A CA 2.779 54.747 52.037 -0.114 0.000 0.649 823 A CB -1.939 17.008 19.000 -0.088 0.000 0.818 823 A HN 0.590 nan 8.150 nan 0.000 0.458 824 T N -2.351 112.146 114.554 -0.095 0.000 2.788 824 T HA -0.189 4.162 4.350 0.001 0.000 0.268 824 T C 1.810 176.476 174.700 -0.058 0.000 1.044 824 T CA 2.285 64.351 62.100 -0.058 0.000 1.139 824 T CB -1.333 67.511 68.868 -0.040 0.000 0.867 824 T HN 0.751 nan 8.240 nan 0.000 0.454 825 T N -0.274 114.218 114.554 -0.102 0.000 3.043 825 T HA 0.244 4.594 4.350 0.001 0.000 0.263 825 T C 0.686 175.349 174.700 -0.063 0.000 1.094 825 T CA -0.312 61.745 62.100 -0.072 0.000 1.127 825 T CB -0.722 68.091 68.868 -0.092 0.000 0.905 825 T HN 0.221 nan 8.240 nan 0.000 0.490 826 L N 2.770 123.945 121.223 -0.080 0.000 2.506 826 L HA 0.277 4.617 4.340 0.001 0.000 0.281 826 L C 1.028 177.862 176.870 -0.060 0.000 1.228 826 L CA 0.271 55.065 54.840 -0.076 0.000 0.850 826 L CB 0.383 42.380 42.059 -0.104 0.000 1.110 826 L HN 0.240 nan 8.230 nan 0.000 0.496 827 S N 1.410 117.082 115.700 -0.047 0.000 2.617 827 S HA 0.313 4.783 4.470 0.001 0.000 0.259 827 S C 1.365 175.934 174.600 -0.051 0.000 1.301 827 S CA -0.023 58.152 58.200 -0.041 0.000 0.984 827 S CB 0.929 64.118 63.200 -0.019 0.000 0.954 827 S HN 0.778 nan 8.310 nan 0.000 0.572 828 G N 1.224 109.997 108.800 -0.045 0.000 2.484 828 G HA2 -0.052 3.908 3.960 0.001 0.000 0.215 828 G HA3 -0.052 3.908 3.960 0.001 0.000 0.215 828 G C 1.462 176.331 174.900 -0.050 0.000 1.219 828 G CA 0.786 45.858 45.100 -0.047 0.000 0.791 828 G HN 0.949 nan 8.290 nan 0.000 0.550 829 G N 0.420 109.198 108.800 -0.036 0.000 2.442 829 G HA2 -0.139 3.821 3.960 0.001 0.000 0.219 829 G HA3 -0.139 3.821 3.960 0.001 0.000 0.219 829 G C 1.656 176.529 174.900 -0.045 0.000 1.141 829 G CA 1.215 46.293 45.100 -0.036 0.000 0.763 829 G HN 0.537 nan 8.290 nan 0.000 0.554 830 E N 0.474 120.651 120.200 -0.039 0.000 2.051 830 E HA -0.031 4.320 4.350 0.001 0.000 0.192 830 E C 2.972 179.511 176.600 -0.103 0.000 0.991 830 E CA 0.752 57.119 56.400 -0.055 0.000 0.799 830 E CB -0.214 29.466 29.700 -0.034 0.000 0.748 830 E HN 0.395 nan 8.360 nan 0.000 0.449 831 A N 1.320 124.073 122.820 -0.112 0.000 1.908 831 A HA -0.306 4.014 4.320 0.001 0.000 0.218 831 A C 2.124 179.602 177.584 -0.177 0.000 1.181 831 A CA 1.823 53.764 52.037 -0.161 0.000 0.627 831 A CB -0.603 18.310 19.000 -0.145 0.000 0.818 831 A HN 0.255 nan 8.150 nan 0.000 0.445 832 Q N -0.583 119.141 119.800 -0.127 0.000 2.170 832 Q HA -0.171 4.169 4.340 0.001 0.000 0.203 832 Q C 2.152 178.086 176.000 -0.111 0.000 0.976 832 Q CA 1.510 57.245 55.803 -0.114 0.000 0.858 832 Q CB -0.055 28.633 28.738 -0.083 0.000 0.907 832 Q HN 0.702 nan 8.270 nan 0.000 0.433 833 R N -0.796 119.641 120.500 -0.105 0.000 2.161 833 R HA 0.001 4.341 4.340 0.001 0.000 0.213 833 R C 2.227 178.466 176.300 -0.102 0.000 1.055 833 R CA 0.830 56.875 56.100 -0.093 0.000 0.996 833 R CB 0.109 30.361 30.300 -0.080 0.000 0.901 833 R HN 0.125 nan 8.270 nan 0.000 0.456 834 V N 1.703 121.532 119.914 -0.141 0.000 2.427 834 V HA -0.235 3.886 4.120 0.001 0.000 0.248 834 V C 2.054 178.074 176.094 -0.124 0.000 1.051 834 V CA 1.708 63.920 62.300 -0.148 0.000 1.048 834 V CB -0.332 31.357 31.823 -0.222 0.000 0.666 834 V HN 0.283 nan 8.190 nan 0.000 0.456 835 K N -0.218 120.070 120.400 -0.187 0.000 2.025 835 K HA -0.058 4.263 4.320 0.001 0.000 0.207 835 K C 2.153 178.767 176.600 0.023 0.000 1.049 835 K CA 1.064 57.314 56.287 -0.062 0.000 0.933 835 K CB -0.345 32.089 32.500 -0.111 0.000 0.714 835 K HN 0.275 nan 8.250 nan 0.000 0.438 836 L N 1.141 122.337 121.223 -0.046 0.000 2.191 836 L HA -0.105 4.236 4.340 0.001 0.000 0.212 836 L C 2.084 178.921 176.870 -0.055 0.000 1.103 836 L CA 1.639 56.434 54.840 -0.075 0.000 0.769 836 L CB -0.778 41.222 42.059 -0.098 0.000 0.908 836 L HN 0.114 nan 8.230 nan 0.000 0.438 837 A N -0.184 122.625 122.820 -0.018 0.000 1.968 837 A HA -0.022 4.299 4.320 0.001 0.000 0.217 837 A C 2.488 180.101 177.584 0.049 0.000 1.169 837 A CA 1.358 53.401 52.037 0.010 0.000 0.638 837 A CB -0.589 18.415 19.000 0.007 0.000 0.812 837 A HN 0.541 nan 8.150 nan 0.000 0.446 838 A N -0.235 122.639 122.820 0.090 0.000 1.902 838 A HA -0.117 4.203 4.320 0.001 0.000 0.217 838 A C 1.909 179.544 177.584 0.084 0.000 1.181 838 A CA 1.957 54.060 52.037 0.110 0.000 0.623 838 A CB -0.378 18.731 19.000 0.182 0.000 0.818 838 A HN 0.442 nan 8.150 nan 0.000 0.443 839 E N -0.442 119.799 120.200 0.068 0.000 2.230 839 E HA -0.017 4.334 4.350 0.001 0.000 0.192 839 E C 1.838 178.447 176.600 0.014 0.000 0.987 839 E CA 0.032 56.474 56.400 0.070 0.000 0.841 839 E CB -0.211 29.551 29.700 0.102 0.000 0.783 839 E HN 0.420 nan 8.360 nan 0.000 0.481 840 L N 0.994 122.200 121.223 -0.028 0.000 1.997 840 L HA -0.230 4.111 4.340 0.001 0.000 0.227 840 L C 0.738 177.632 176.870 0.040 0.000 1.087 840 L CA 2.011 56.834 54.840 -0.028 0.000 0.797 840 L CB -0.747 41.317 42.059 0.009 0.000 0.902 840 L HN 0.296 nan 8.230 nan 0.000 0.441 841 H N 1.718 120.793 119.070 0.008 0.000 2.787 841 H HA 0.415 4.972 4.556 0.001 0.000 0.275 841 H C -0.511 174.837 175.328 0.033 0.000 1.183 841 H CA -0.260 55.801 56.048 0.022 0.000 1.290 841 H CB 0.127 29.900 29.762 0.019 0.000 1.438 841 H HN 0.347 nan 8.280 nan 0.000 0.487 842 R N 3.013 123.497 120.500 -0.025 0.000 2.707 842 R HA 0.208 4.549 4.340 0.001 0.000 0.272 842 R C -0.495 175.783 176.300 -0.036 0.000 1.011 842 R CA -1.039 55.080 56.100 0.031 0.000 0.893 842 R CB 2.432 32.781 30.300 0.082 0.000 1.233 842 R HN 0.492 nan 8.270 nan 0.000 0.464 843 R N 1.832 122.330 120.500 -0.003 0.000 2.402 843 R HA 0.061 4.401 4.340 0.001 0.000 0.331 843 R C -0.448 175.858 176.300 0.010 0.000 1.040 843 R CA 0.192 56.285 56.100 -0.010 0.000 0.980 843 R CB 0.264 30.570 30.300 0.010 0.000 0.967 843 R HN 0.645 nan 8.270 nan 0.000 0.440 844 S N 2.988 118.692 115.700 0.007 0.000 2.554 844 S HA 0.120 4.590 4.470 0.001 0.000 0.278 844 S C 0.500 175.107 174.600 0.011 0.000 1.242 844 S CA -0.920 57.295 58.200 0.026 0.000 1.051 844 S CB 1.440 64.669 63.200 0.049 0.000 0.986 844 S HN 0.791 nan 8.310 nan 0.000 0.502 845 N N 1.130 119.834 118.700 0.006 0.000 2.270 845 N HA 0.214 4.954 4.740 0.001 0.000 0.198 845 N C 1.172 176.681 175.510 -0.002 0.000 1.117 845 N CA 0.234 53.284 53.050 0.000 0.000 0.845 845 N CB -0.327 38.157 38.487 -0.005 0.000 0.980 845 N HN 1.254 nan 8.380 nan 0.000 0.486 846 G N 0.492 109.292 108.800 0.000 0.000 2.162 846 G HA2 -0.320 3.641 3.960 0.001 0.000 0.260 846 G HA3 -0.320 3.641 3.960 0.001 0.000 0.260 846 G C -0.107 174.785 174.900 -0.014 0.000 0.976 846 G CA 0.091 45.190 45.100 -0.002 0.000 0.655 846 G HN 0.480 nan 8.290 nan 0.000 0.533 847 R N 0.233 120.718 120.500 -0.025 0.000 2.585 847 R HA 0.519 4.860 4.340 0.001 0.000 0.278 847 R C -0.614 175.645 176.300 -0.067 0.000 1.663 847 R CA 0.344 56.424 56.100 -0.033 0.000 1.592 847 R CB 1.270 31.561 30.300 -0.015 0.000 1.200 847 R HN 0.315 nan 8.270 nan 0.000 0.611 848 T N 1.216 115.699 114.554 -0.118 0.000 3.579 848 T HA 0.248 4.599 4.350 0.001 0.000 0.360 848 T C -1.948 172.538 174.700 -0.357 0.000 1.285 848 T CA -0.651 61.318 62.100 -0.219 0.000 1.127 848 T CB 1.259 69.979 68.868 -0.247 0.000 1.244 848 T HN 0.250 nan 8.240 nan 0.000 0.476 849 L N 5.927 126.959 121.223 -0.319 0.000 2.282 849 L HA 0.711 5.051 4.340 0.001 0.000 0.288 849 L C -1.574 175.093 176.870 -0.338 0.000 1.033 849 L CA -0.470 54.209 54.840 -0.267 0.000 0.807 849 L CB 0.624 42.622 42.059 -0.103 0.000 1.209 849 L HN 0.742 nan 8.230 nan 0.000 0.423 850 Y N 5.553 125.836 120.300 -0.029 0.000 2.341 850 Y HA 0.568 5.119 4.550 0.001 0.000 0.337 850 Y C -0.086 175.764 175.900 -0.083 0.000 1.014 850 Y CA -0.648 57.425 58.100 -0.045 0.000 1.111 850 Y CB 1.483 39.909 38.460 -0.057 0.000 1.194 850 Y HN 0.391 nan 8.280 nan 0.000 0.462 851 I N 5.648 126.257 120.570 0.064 0.000 2.382 851 I HA 0.324 4.494 4.170 0.001 0.000 0.285 851 I C -1.033 175.044 176.117 -0.067 0.000 1.007 851 I CA -0.483 60.795 61.300 -0.038 0.000 1.142 851 I CB 0.955 38.906 38.000 -0.082 0.000 1.289 851 I HN 0.405 nan 8.210 nan 0.000 0.453 852 L N 5.257 126.432 121.223 -0.080 0.000 2.333 852 L HA 0.476 4.816 4.340 0.001 0.000 0.280 852 L C -0.460 176.364 176.870 -0.076 0.000 1.004 852 L CA -0.642 54.149 54.840 -0.082 0.000 0.820 852 L CB 1.949 43.958 42.059 -0.084 0.000 1.247 852 L HN 0.508 nan 8.230 nan 0.000 0.416 853 D N 4.856 125.216 120.400 -0.067 0.000 2.396 853 D HA 0.090 4.730 4.640 0.001 0.000 0.225 853 D C -0.073 176.213 176.300 -0.024 0.000 1.121 853 D CA -0.041 53.932 54.000 -0.044 0.000 0.853 853 D CB 0.623 41.396 40.800 -0.044 0.000 1.043 853 D HN 0.613 nan 8.370 nan 0.000 0.500 854 E N 3.022 123.218 120.200 -0.007 0.000 2.273 854 E HA -0.163 4.188 4.350 0.001 0.000 0.177 854 E C -1.760 174.837 176.600 -0.005 0.000 1.511 854 E CA -0.071 56.337 56.400 0.013 0.000 0.675 854 E CB -0.379 29.345 29.700 0.040 0.000 1.094 854 E HN 0.516 nan 8.360 nan 0.000 0.348 855 P HA -0.121 nan 4.420 nan 0.000 0.230 855 P C 1.008 178.296 177.300 -0.020 0.000 1.158 855 P CA 0.845 63.933 63.100 -0.021 0.000 0.769 855 P CB 0.246 31.934 31.700 -0.018 0.000 0.807 856 T N -1.145 113.402 114.554 -0.012 0.000 3.035 856 T HA -0.053 4.297 4.350 0.001 0.000 0.268 856 T C 1.065 175.735 174.700 -0.050 0.000 1.109 856 T CA 0.819 62.899 62.100 -0.033 0.000 1.119 856 T CB -0.899 67.961 68.868 -0.014 0.000 0.900 856 T HN 0.163 nan 8.240 nan 0.000 0.503 857 T N 1.665 116.205 114.554 -0.022 0.000 2.708 857 T HA 0.316 4.666 4.350 0.001 0.000 0.271 857 T C 1.246 175.935 174.700 -0.019 0.000 0.985 857 T CA 1.032 63.126 62.100 -0.009 0.000 1.229 857 T CB -0.792 68.074 68.868 -0.003 0.000 0.934 857 T HN 0.584 nan 8.240 nan 0.000 0.522 858 G N 4.092 112.888 108.800 -0.006 0.000 2.130 858 G HA2 -0.157 3.804 3.960 0.001 0.000 0.216 858 G HA3 -0.157 3.804 3.960 0.001 0.000 0.216 858 G C -0.132 174.636 174.900 -0.220 0.000 0.999 858 G CA -0.015 45.092 45.100 0.011 0.000 0.686 858 G HN 0.760 nan 8.290 nan 0.000 0.515 859 L N 0.545 121.487 121.223 -0.469 0.000 2.365 859 L HA 0.523 4.863 4.340 0.001 0.000 0.273 859 L C 0.795 177.201 176.870 -0.773 0.000 1.000 859 L CA -1.285 53.266 54.840 -0.481 0.000 0.819 859 L CB 1.729 43.661 42.059 -0.210 0.000 1.284 859 L HN 0.274 nan 8.230 nan 0.000 0.418 860 H N 1.383 120.114 119.070 -0.564 0.000 2.679 860 H HA 0.074 4.631 4.556 0.001 0.000 0.369 860 H C 0.746 175.921 175.328 -0.257 0.000 1.178 860 H CA -0.143 55.739 56.048 -0.276 0.000 1.419 860 H CB 1.919 31.611 29.762 -0.116 0.000 1.458 860 H HN 0.423 nan 8.280 nan 0.000 0.605 861 V N 3.154 122.626 119.914 -0.736 0.000 2.453 861 V HA -0.290 3.830 4.120 0.001 0.000 0.252 861 V C 2.077 177.915 176.094 -0.428 0.000 1.068 861 V CA 2.360 64.331 62.300 -0.549 0.000 1.070 861 V CB -0.593 30.835 31.823 -0.659 0.000 0.664 861 V HN 0.747 nan 8.190 nan 0.000 0.461 862 D N -0.085 120.087 120.400 -0.379 0.000 2.123 862 D HA -0.157 4.483 4.640 0.001 0.000 0.200 862 D C 1.809 178.103 176.300 -0.010 0.000 0.976 862 D CA 1.090 55.017 54.000 -0.122 0.000 0.831 862 D CB -0.143 40.689 40.800 0.052 0.000 0.974 862 D HN 0.393 nan 8.370 nan 0.000 0.469 863 D N 0.025 120.418 120.400 -0.013 0.000 2.218 863 D HA -0.126 4.515 4.640 0.001 0.000 0.204 863 D C 2.034 178.314 176.300 -0.034 0.000 0.976 863 D CA 0.382 54.365 54.000 -0.028 0.000 0.853 863 D CB 0.015 40.786 40.800 -0.049 0.000 0.939 863 D HN 0.320 nan 8.370 nan 0.000 0.481 864 I N 1.283 121.822 120.570 -0.053 0.000 2.252 864 I HA -0.176 3.994 4.170 0.001 0.000 0.245 864 I C 2.536 178.656 176.117 0.004 0.000 1.102 864 I CA 0.556 61.838 61.300 -0.029 0.000 1.385 864 I CB -1.252 36.724 38.000 -0.041 0.000 1.064 864 I HN -0.116 nan 8.210 nan 0.000 0.414 865 A N 0.827 123.655 122.820 0.013 0.000 1.940 865 A HA -0.219 4.102 4.320 0.001 0.000 0.219 865 A C 2.449 180.053 177.584 0.033 0.000 1.176 865 A CA 1.633 53.691 52.037 0.035 0.000 0.631 865 A CB -0.574 18.467 19.000 0.068 0.000 0.814 865 A HN 0.369 nan 8.150 nan 0.000 0.446 866 R N -1.695 118.822 120.500 0.027 0.000 2.246 866 R HA 0.137 4.477 4.340 0.001 0.000 0.199 866 R C 1.796 178.112 176.300 0.027 0.000 0.984 866 R CA 0.627 56.743 56.100 0.027 0.000 1.015 866 R CB -0.156 30.154 30.300 0.016 0.000 0.930 866 R HN 0.465 nan 8.270 nan 0.000 0.475 867 L N 0.430 121.665 121.223 0.021 0.000 2.249 867 L HA 0.058 4.399 4.340 0.001 0.000 0.207 867 L C 1.635 178.536 176.870 0.053 0.000 1.090 867 L CA 1.342 56.196 54.840 0.024 0.000 0.802 867 L CB -0.003 42.062 42.059 0.009 0.000 0.947 867 L HN 0.085 nan 8.230 nan 0.000 0.453 868 L N -0.718 120.544 121.223 0.064 0.000 2.093 868 L HA -0.163 4.178 4.340 0.001 0.000 0.208 868 L C 2.095 179.065 176.870 0.166 0.000 1.085 868 L CA 1.025 55.926 54.840 0.101 0.000 0.755 868 L CB -0.731 41.379 42.059 0.084 0.000 0.904 868 L HN 0.224 nan 8.230 nan 0.000 0.435 869 D N -0.207 120.258 120.400 0.108 0.000 2.123 869 D HA -0.158 4.483 4.640 0.001 0.000 0.196 869 D C 2.305 178.665 176.300 0.100 0.000 0.992 869 D CA 1.137 55.195 54.000 0.097 0.000 0.833 869 D CB -0.190 40.644 40.800 0.055 0.000 0.954 869 D HN 0.103 nan 8.370 nan 0.000 0.455 870 V N 1.109 121.068 119.914 0.074 0.000 2.307 870 V HA -0.182 3.938 4.120 0.001 0.000 0.245 870 V C 2.549 178.672 176.094 0.049 0.000 1.045 870 V CA 0.928 63.259 62.300 0.052 0.000 1.024 870 V CB -0.289 31.551 31.823 0.028 0.000 0.651 870 V HN 0.208 nan 8.190 nan 0.000 0.449 871 L N -0.429 120.831 121.223 0.061 0.000 1.994 871 L HA -0.172 4.169 4.340 0.001 0.000 0.208 871 L C 2.552 179.475 176.870 0.089 0.000 1.071 871 L CA 2.099 56.979 54.840 0.066 0.000 0.745 871 L CB -1.763 40.401 42.059 0.175 0.000 0.892 871 L HN 0.453 nan 8.230 nan 0.000 0.431 872 H N -0.595 118.560 119.070 0.142 0.000 2.518 872 H HA -0.126 4.430 4.556 0.001 0.000 0.289 872 H C 2.324 177.693 175.328 0.069 0.000 1.051 872 H CA 0.850 56.958 56.048 0.100 0.000 1.280 872 H CB 0.101 29.860 29.762 -0.005 0.000 1.380 872 H HN 0.296 nan 8.280 nan 0.000 0.566 873 R N 0.252 120.842 120.500 0.149 0.000 2.090 873 R HA -0.072 4.269 4.340 0.001 0.000 0.228 873 R C 2.009 178.355 176.300 0.076 0.000 1.110 873 R CA 0.340 56.495 56.100 0.092 0.000 0.973 873 R CB 0.152 30.489 30.300 0.062 0.000 0.869 873 R HN 0.124 nan 8.270 nan 0.000 0.440 874 L N 0.341 121.607 121.223 0.072 0.000 2.056 874 L HA -0.118 4.223 4.340 0.001 0.000 0.207 874 L C 2.373 179.309 176.870 0.109 0.000 1.078 874 L CA 1.301 56.191 54.840 0.084 0.000 0.749 874 L CB -0.925 41.174 42.059 0.067 0.000 0.901 874 L HN 0.107 nan 8.230 nan 0.000 0.433 875 V N -0.242 119.745 119.914 0.121 0.000 2.427 875 V HA -0.240 3.881 4.120 0.001 0.000 0.248 875 V C 2.259 178.409 176.094 0.093 0.000 1.051 875 V CA 1.425 63.795 62.300 0.117 0.000 1.048 875 V CB -0.479 31.447 31.823 0.171 0.000 0.666 875 V HN 0.347 nan 8.190 nan 0.000 0.456 876 D N 0.542 121.001 120.400 0.099 0.000 2.158 876 D HA -0.168 4.473 4.640 0.001 0.000 0.197 876 D C 2.019 178.346 176.300 0.046 0.000 0.995 876 D CA 1.222 55.262 54.000 0.067 0.000 0.846 876 D CB -0.335 40.502 40.800 0.061 0.000 0.941 876 D HN 0.406 nan 8.370 nan 0.000 0.456 877 N N -0.395 118.334 118.700 0.048 0.000 2.244 877 N HA -0.084 4.657 4.740 0.001 0.000 0.183 877 N C 1.652 177.179 175.510 0.028 0.000 1.016 877 N CA 1.571 54.642 53.050 0.034 0.000 0.866 877 N CB 0.415 38.925 38.487 0.038 0.000 0.980 877 N HN 0.394 nan 8.380 nan 0.000 0.430 878 G N -0.306 108.513 108.800 0.031 0.000 2.480 878 G HA2 -0.169 3.791 3.960 0.001 0.000 0.193 878 G HA3 -0.169 3.791 3.960 0.001 0.000 0.193 878 G C -0.291 174.612 174.900 0.005 0.000 1.004 878 G CA -0.197 44.910 45.100 0.012 0.000 0.696 878 G HN 0.205 nan 8.290 nan 0.000 0.478 879 D N 1.264 121.681 120.400 0.029 0.000 2.369 879 D HA 0.490 5.131 4.640 0.001 0.000 0.241 879 D C 0.498 176.806 176.300 0.014 0.000 1.271 879 D CA 0.820 54.831 54.000 0.019 0.000 0.942 879 D CB 0.554 41.413 40.800 0.098 0.000 1.129 879 D HN 0.138 nan 8.370 nan 0.000 0.476 880 T N -0.185 114.354 114.554 -0.025 0.000 2.888 880 T HA 0.521 4.872 4.350 0.001 0.000 0.284 880 T C -0.360 174.349 174.700 0.016 0.000 1.017 880 T CA -0.675 61.403 62.100 -0.036 0.000 1.022 880 T CB 1.535 70.348 68.868 -0.092 0.000 1.013 880 T HN 0.019 nan 8.240 nan 0.000 0.465 881 V N 3.440 123.328 119.914 -0.045 0.000 2.445 881 V HA 0.373 4.493 4.120 0.001 0.000 0.283 881 V C -0.492 175.424 176.094 -0.297 0.000 1.014 881 V CA -0.726 61.512 62.300 -0.102 0.000 0.852 881 V CB 1.315 33.048 31.823 -0.151 0.000 1.021 881 V HN 0.742 nan 8.190 nan 0.000 0.435 882 L N 5.398 126.507 121.223 -0.190 0.000 2.292 882 L HA 0.812 5.152 4.340 0.001 0.000 0.284 882 L C -0.681 176.057 176.870 -0.219 0.000 1.065 882 L CA -0.198 54.522 54.840 -0.199 0.000 0.806 882 L CB 1.607 43.608 42.059 -0.098 0.000 1.175 882 L HN 0.492 nan 8.230 nan 0.000 0.431 883 V N 6.545 126.307 119.914 -0.255 0.000 2.789 883 V HA 0.481 4.601 4.120 0.001 0.000 0.311 883 V C -0.410 175.623 176.094 -0.103 0.000 1.073 883 V CA -0.539 61.648 62.300 -0.189 0.000 0.921 883 V CB 2.292 33.967 31.823 -0.247 0.000 1.009 883 V HN 0.642 nan 8.190 nan 0.000 0.426 884 I N 6.133 126.660 120.570 -0.071 0.000 2.307 884 I HA 0.534 4.704 4.170 0.001 0.000 0.287 884 I C -0.222 175.869 176.117 -0.044 0.000 1.054 884 I CA -0.172 61.092 61.300 -0.059 0.000 1.218 884 I CB 0.744 38.718 38.000 -0.044 0.000 1.398 884 I HN 0.547 nan 8.210 nan 0.000 0.475 885 E N 4.372 124.531 120.200 -0.068 0.000 2.343 885 E HA 0.394 4.744 4.350 0.001 0.000 0.270 885 E C -0.122 176.386 176.600 -0.154 0.000 0.895 885 E CA -0.568 55.810 56.400 -0.036 0.000 0.767 885 E CB 2.198 31.913 29.700 0.025 0.000 1.248 885 E HN 0.489 nan 8.360 nan 0.000 0.440 886 H N -0.129 118.912 119.070 -0.048 0.000 2.729 886 H HA 0.094 4.651 4.556 0.001 0.000 0.263 886 H C 0.391 175.633 175.328 -0.143 0.000 0.961 886 H CA -0.136 55.834 56.048 -0.131 0.000 1.217 886 H CB 0.892 30.572 29.762 -0.137 0.000 1.447 886 H HN 0.287 nan 8.280 nan 0.000 0.496 887 N N 2.359 121.087 118.700 0.047 0.000 2.429 887 N HA -0.056 4.685 4.740 0.001 0.000 0.271 887 N C 1.180 176.695 175.510 0.007 0.000 1.272 887 N CA 0.031 53.089 53.050 0.013 0.000 0.921 887 N CB 0.578 39.077 38.487 0.020 0.000 1.128 887 N HN 0.265 nan 8.380 nan 0.000 0.481 888 L N 2.540 123.760 121.223 -0.004 0.000 2.187 888 L HA -0.200 4.140 4.340 0.001 0.000 0.213 888 L C 1.278 178.170 176.870 0.037 0.000 1.100 888 L CA 1.043 55.893 54.840 0.018 0.000 0.765 888 L CB -0.118 41.962 42.059 0.035 0.000 0.904 888 L HN 0.457 nan 8.230 nan 0.000 0.437 889 D N -0.846 119.575 120.400 0.035 0.000 2.149 889 D HA -0.103 4.537 4.640 0.001 0.000 0.201 889 D C 2.307 178.630 176.300 0.039 0.000 0.972 889 D CA 0.870 54.896 54.000 0.043 0.000 0.835 889 D CB -0.004 40.821 40.800 0.042 0.000 0.966 889 D HN 0.079 nan 8.370 nan 0.000 0.476 890 V N 0.955 120.897 119.914 0.046 0.000 2.453 890 V HA -0.138 3.983 4.120 0.001 0.000 0.247 890 V C 2.405 178.558 176.094 0.098 0.000 1.048 890 V CA 0.862 63.205 62.300 0.072 0.000 1.049 890 V CB -0.241 31.649 31.823 0.113 0.000 0.672 890 V HN 0.187 nan 8.190 nan 0.000 0.457 891 I N 0.949 121.572 120.570 0.087 0.000 2.226 891 I HA -0.271 3.899 4.170 0.001 0.000 0.245 891 I C 2.635 178.797 176.117 0.074 0.000 1.100 891 I CA 1.986 63.342 61.300 0.094 0.000 1.374 891 I CB -0.488 37.547 38.000 0.057 0.000 1.057 891 I HN 0.419 nan 8.210 nan 0.000 0.413 892 K N 0.549 120.979 120.400 0.050 0.000 2.148 892 K HA -0.105 4.215 4.320 0.001 0.000 0.204 892 K C 1.736 178.346 176.600 0.017 0.000 1.050 892 K CA 1.733 58.042 56.287 0.038 0.000 0.942 892 K CB -0.625 31.899 32.500 0.040 0.000 0.724 892 K HN 0.166 nan 8.250 nan 0.000 0.446 893 T N 1.252 115.801 114.554 -0.008 0.000 2.951 893 T HA 0.101 4.451 4.350 0.001 0.000 0.268 893 T C 1.063 175.709 174.700 -0.091 0.000 1.073 893 T CA 0.625 62.685 62.100 -0.066 0.000 1.134 893 T CB -0.136 68.678 68.868 -0.090 0.000 0.884 893 T HN 0.484 nan 8.240 nan 0.000 0.479 894 A N 1.876 124.666 122.820 -0.049 0.000 2.492 894 A HA 0.150 4.470 4.320 0.001 0.000 0.236 894 A C 1.044 178.727 177.584 0.166 0.000 1.078 894 A CA -0.149 51.964 52.037 0.127 0.000 0.773 894 A CB 0.157 19.394 19.000 0.395 0.000 1.023 894 A HN 0.206 nan 8.150 nan 0.000 0.504 895 D N -1.539 119.019 120.400 0.263 0.000 2.262 895 D HA 0.115 4.756 4.640 0.001 0.000 0.212 895 D C -0.273 176.171 176.300 0.240 0.000 0.964 895 D CA 1.492 55.616 54.000 0.207 0.000 0.875 895 D CB 0.114 41.040 40.800 0.210 0.000 0.996 895 D HN 0.539 nan 8.370 nan 0.000 0.497 896 Y N 0.382 120.755 120.300 0.122 0.000 2.524 896 Y HA 0.452 5.002 4.550 0.001 0.000 0.347 896 Y C -1.234 174.724 175.900 0.097 0.000 1.005 896 Y CA -1.129 57.025 58.100 0.090 0.000 1.025 896 Y CB 1.617 40.109 38.460 0.052 0.000 1.275 896 Y HN -0.189 nan 8.280 nan 0.000 0.460 897 I N 3.056 123.567 120.570 -0.098 0.000 2.894 897 I HA 0.619 4.790 4.170 0.001 0.000 0.302 897 I C -1.763 174.321 176.117 -0.054 0.000 1.188 897 I CA -1.115 60.190 61.300 0.008 0.000 1.014 897 I CB 2.785 40.791 38.000 0.009 0.000 1.242 897 I HN 0.536 nan 8.210 nan 0.000 0.430 898 I N 3.232 123.833 120.570 0.052 0.000 2.464 898 I HA 0.261 4.431 4.170 0.001 0.000 0.277 898 I C -0.943 175.193 176.117 0.031 0.000 1.040 898 I CA -0.215 61.120 61.300 0.059 0.000 1.153 898 I CB 1.252 39.328 38.000 0.127 0.000 1.274 898 I HN 0.591 nan 8.210 nan 0.000 0.469 899 D N 5.516 125.926 120.400 0.017 0.000 2.351 899 D HA 0.377 5.018 4.640 0.001 0.000 0.251 899 D C -0.838 175.475 176.300 0.022 0.000 1.137 899 D CA 0.126 54.141 54.000 0.025 0.000 0.879 899 D CB 1.160 41.981 40.800 0.036 0.000 1.181 899 D HN 0.190 nan 8.370 nan 0.000 0.448 900 L N 2.702 123.932 121.223 0.011 0.000 2.330 900 L HA 0.637 4.978 4.340 0.001 0.000 0.271 900 L C 0.433 177.299 176.870 -0.007 0.000 1.013 900 L CA -0.167 54.674 54.840 0.002 0.000 0.816 900 L CB 1.619 43.671 42.059 -0.011 0.000 1.287 900 L HN 0.623 nan 8.230 nan 0.000 0.435 901 G N 3.498 112.296 108.800 -0.005 0.000 2.838 901 G HA2 -0.163 3.797 3.960 0.001 0.000 0.339 901 G HA3 -0.163 3.797 3.960 0.001 0.000 0.339 901 G C -2.545 172.351 174.900 -0.007 0.000 0.122 901 G CA -0.512 44.583 45.100 -0.009 0.000 1.244 901 G HN 0.517 nan 8.290 nan 0.000 0.533 902 P HA 0.303 nan 4.420 nan 0.000 0.281 902 P C 0.244 177.542 177.300 -0.004 0.000 1.286 902 P CA 0.197 63.336 63.100 0.063 0.000 0.772 902 P CB 0.924 32.677 31.700 0.089 0.000 0.862 903 E N 0.562 120.685 120.200 -0.128 0.000 9.197 903 E HA -0.138 4.213 4.350 0.001 0.000 0.478 903 E C 0.274 176.808 176.600 -0.110 0.000 1.409 903 E CA 0.889 57.191 56.400 -0.164 0.000 2.454 903 E CB -1.661 28.003 29.700 -0.061 0.000 1.029 903 E HN 0.622 nan 8.360 nan 0.000 0.289 904 G N -1.024 107.728 108.800 -0.081 0.000 2.552 904 G HA2 0.703 4.663 3.960 0.001 0.000 0.318 904 G HA3 0.703 4.663 3.960 0.001 0.000 0.318 904 G C 0.705 175.602 174.900 -0.004 0.000 1.240 904 G CA 0.758 45.811 45.100 -0.077 0.000 1.002 904 G HN 1.228 nan 8.290 nan 0.000 0.493 905 G N 0.069 108.863 108.800 -0.009 0.000 2.550 905 G HA2 -0.340 3.620 3.960 0.001 0.000 0.277 905 G HA3 -0.340 3.620 3.960 0.001 0.000 0.277 905 G C 1.002 175.929 174.900 0.045 0.000 1.190 905 G CA 1.032 46.180 45.100 0.081 0.000 0.971 905 G HN 0.833 nan 8.290 nan 0.000 0.559 906 D N 0.460 120.894 120.400 0.058 0.000 2.178 906 D HA -0.001 4.639 4.640 0.001 0.000 0.202 906 D C 2.565 178.884 176.300 0.032 0.000 0.974 906 D CA 1.210 55.237 54.000 0.044 0.000 0.841 906 D CB -0.130 40.698 40.800 0.046 0.000 0.953 906 D HN 0.470 nan 8.370 nan 0.000 0.478 907 R N -0.648 119.869 120.500 0.029 0.000 2.313 907 R HA 0.260 4.601 4.340 0.001 0.000 0.199 907 R C 1.128 177.436 176.300 0.013 0.000 0.958 907 R CA 0.283 56.397 56.100 0.022 0.000 1.047 907 R CB 0.556 30.870 30.300 0.025 0.000 0.955 907 R HN 0.042 nan 8.270 nan 0.000 0.481 908 G N -1.249 107.553 108.800 0.004 0.000 3.212 908 G HA2 0.448 4.409 3.960 0.001 0.000 0.188 908 G HA3 0.448 4.409 3.960 0.001 0.000 0.188 908 G C -0.104 174.796 174.900 -0.001 0.000 1.254 908 G CA -0.223 44.872 45.100 -0.008 0.000 0.957 908 G HN 0.108 nan 8.290 nan 0.000 0.596 909 G N -0.534 108.261 108.800 -0.008 0.000 2.341 909 G HA2 0.169 4.130 3.960 0.001 0.000 0.278 909 G HA3 0.169 4.130 3.960 0.001 0.000 0.278 909 G C -0.108 174.799 174.900 0.011 0.000 1.111 909 G CA 0.772 45.874 45.100 0.004 0.000 0.982 909 G HN 1.308 nan 8.290 nan 0.000 0.502 910 Q N -0.801 119.004 119.800 0.010 0.000 2.479 910 Q HA 0.583 4.924 4.340 0.001 0.000 0.276 910 Q C -0.444 175.566 176.000 0.017 0.000 0.989 910 Q CA -1.472 54.340 55.803 0.015 0.000 0.864 910 Q CB 1.200 29.947 28.738 0.016 0.000 1.444 910 Q HN 0.167 nan 8.270 nan 0.000 0.388 911 I N 2.892 123.474 120.570 0.021 0.000 2.578 911 I HA -0.036 4.135 4.170 0.001 0.000 0.286 911 I C 1.156 177.286 176.117 0.023 0.000 1.126 911 I CA 0.109 61.425 61.300 0.025 0.000 1.380 911 I CB 0.374 38.394 38.000 0.033 0.000 1.408 911 I HN 0.677 nan 8.210 nan 0.000 0.532 912 V N 5.840 125.768 119.914 0.024 0.000 2.649 912 V HA 0.169 4.289 4.120 0.001 0.000 0.248 912 V C 0.922 177.027 176.094 0.017 0.000 1.054 912 V CA 1.187 63.502 62.300 0.025 0.000 1.073 912 V CB -0.158 31.688 31.823 0.039 0.000 0.699 912 V HN 0.898 nan 8.190 nan 0.000 0.463 913 A N -0.283 122.545 122.820 0.013 0.000 2.565 913 A HA 0.639 4.960 4.320 0.001 0.000 0.298 913 A C -0.932 176.639 177.584 -0.021 0.000 1.062 913 A CA -0.088 51.947 52.037 -0.002 0.000 0.723 913 A CB 1.402 20.399 19.000 -0.004 0.000 1.282 913 A HN 0.494 nan 8.150 nan 0.000 0.400 914 V N -0.105 119.786 119.914 -0.038 0.000 3.166 914 V HA 1.047 5.168 4.120 0.001 0.000 0.317 914 V C 0.707 176.661 176.094 -0.234 0.000 1.136 914 V CA 0.083 62.325 62.300 -0.096 0.000 1.035 914 V CB 0.858 32.704 31.823 0.039 0.000 1.110 914 V HN 2.980 nan 8.190 nan 0.000 0.450 915 G N 0.237 108.654 108.800 -0.638 0.000 2.582 915 G HA2 0.021 3.982 3.960 0.001 0.000 0.222 915 G HA3 0.021 3.982 3.960 0.001 0.000 0.222 915 G C -0.068 174.501 174.900 -0.553 0.000 1.311 915 G CA -0.098 44.621 45.100 -0.635 0.000 0.915 915 G HN 1.757 nan 8.290 nan 0.000 0.528 916 T N 1.401 115.835 114.554 -0.201 0.000 2.940 916 T HA 0.408 4.759 4.350 0.001 0.000 0.309 916 T C -0.212 174.451 174.700 -0.062 0.000 1.056 916 T CA 0.122 62.183 62.100 -0.065 0.000 1.137 916 T CB 0.575 69.456 68.868 0.021 0.000 0.976 916 T HN 0.343 nan 8.240 nan 0.000 0.547 917 P HA -0.153 nan 4.420 nan 0.000 0.220 917 P C 1.143 178.440 177.300 -0.004 0.000 1.155 917 P CA 1.356 64.454 63.100 -0.004 0.000 0.880 917 P CB 0.177 31.889 31.700 0.020 0.000 0.790 918 E N -0.550 119.649 120.200 -0.002 0.000 2.047 918 E HA -0.158 4.193 4.350 0.001 0.000 0.191 918 E C 2.015 178.611 176.600 -0.007 0.000 0.987 918 E CA 1.120 57.519 56.400 -0.002 0.000 0.799 918 E CB -0.802 28.899 29.700 0.001 0.000 0.752 918 E HN 0.400 nan 8.360 nan 0.000 0.449 919 E N 0.009 120.201 120.200 -0.014 0.000 2.118 919 E HA -0.160 4.190 4.350 0.001 0.000 0.195 919 E C 2.016 178.603 176.600 -0.023 0.000 0.992 919 E CA 1.235 57.625 56.400 -0.017 0.000 0.804 919 E CB 0.023 29.711 29.700 -0.021 0.000 0.741 919 E HN 0.090 nan 8.360 nan 0.000 0.458 920 V N 1.200 121.094 119.914 -0.032 0.000 2.379 920 V HA -0.218 3.902 4.120 0.001 0.000 0.245 920 V C 2.357 178.451 176.094 -0.000 0.000 1.044 920 V CA 1.639 63.926 62.300 -0.023 0.000 1.036 920 V CB -0.698 31.107 31.823 -0.030 0.000 0.664 920 V HN 0.288 nan 8.190 nan 0.000 0.453 921 A N 1.106 123.928 122.820 0.004 0.000 1.940 921 A HA -0.238 4.083 4.320 0.001 0.000 0.219 921 A C 1.931 179.517 177.584 0.003 0.000 1.176 921 A CA 1.808 53.853 52.037 0.013 0.000 0.631 921 A CB -0.511 18.496 19.000 0.012 0.000 0.814 921 A HN 0.798 nan 8.150 nan 0.000 0.446 922 E N 0.083 120.280 120.200 -0.004 0.000 2.303 922 E HA 0.301 4.651 4.350 0.001 0.000 0.211 922 E C -0.945 175.649 176.600 -0.010 0.000 1.223 922 E CA -0.262 56.133 56.400 -0.008 0.000 1.344 922 E CB -0.137 29.558 29.700 -0.008 0.000 1.299 922 E HN 0.171 nan 8.360 nan 0.000 0.441 923 V N 2.216 122.125 119.914 -0.009 0.000 2.334 923 V HA 0.083 4.203 4.120 0.001 0.000 0.281 923 V C 1.137 177.217 176.094 -0.022 0.000 1.016 923 V CA -0.631 61.662 62.300 -0.012 0.000 0.832 923 V CB 1.295 33.114 31.823 -0.007 0.000 0.999 923 V HN 0.266 nan 8.190 nan 0.000 0.439 924 K N 3.075 123.457 120.400 -0.029 0.000 2.280 924 K HA -0.097 4.223 4.320 0.001 0.000 0.202 924 K C 1.469 178.026 176.600 -0.072 0.000 1.047 924 K CA 1.514 57.774 56.287 -0.046 0.000 0.942 924 K CB 0.325 32.802 32.500 -0.037 0.000 0.739 924 K HN 0.776 nan 8.250 nan 0.000 0.457 925 E N -0.158 120.006 120.200 -0.059 0.000 2.385 925 E HA -0.017 4.333 4.350 0.001 0.000 0.194 925 E C 0.132 176.679 176.600 -0.088 0.000 1.013 925 E CA -0.116 56.240 56.400 -0.074 0.000 0.866 925 E CB 0.571 30.255 29.700 -0.027 0.000 0.832 925 E HN 0.014 nan 8.360 nan 0.000 0.500 926 S N 0.439 116.110 115.700 -0.048 0.000 2.499 926 S HA 0.043 4.514 4.470 0.001 0.000 0.275 926 S C 0.873 175.472 174.600 -0.001 0.000 1.257 926 S CA -0.568 57.640 58.200 0.012 0.000 1.050 926 S CB 0.401 63.625 63.200 0.040 0.000 0.937 926 S HN 0.211 nan 8.310 nan 0.000 0.490 927 H N 3.523 122.621 119.070 0.045 0.000 2.428 927 H HA -0.041 4.515 4.556 0.001 0.000 0.296 927 H C 1.840 177.320 175.328 0.253 0.000 1.062 927 H CA 1.725 57.833 56.048 0.099 0.000 1.350 927 H CB -0.183 29.530 29.762 -0.082 0.000 1.403 927 H HN 0.595 nan 8.280 nan 0.000 0.533 928 T N -0.067 114.689 114.554 0.336 0.000 2.737 928 T HA -0.106 4.245 4.350 0.001 0.000 0.265 928 T C 2.357 177.204 174.700 0.245 0.000 1.038 928 T CA 1.186 63.501 62.100 0.358 0.000 1.144 928 T CB -0.658 68.366 68.868 0.260 0.000 0.866 928 T HN 0.513 nan 8.240 nan 0.000 0.434 929 G N 1.024 109.918 108.800 0.157 0.000 2.432 929 G HA2 -0.233 3.728 3.960 0.001 0.000 0.219 929 G HA3 -0.233 3.728 3.960 0.001 0.000 0.219 929 G C 1.589 176.546 174.900 0.095 0.000 1.135 929 G CA 0.713 45.871 45.100 0.097 0.000 0.767 929 G HN 0.411 nan 8.290 nan 0.000 0.550 930 R N -0.942 119.628 120.500 0.117 0.000 2.081 930 R HA -0.048 4.292 4.340 0.001 0.000 0.235 930 R C 2.084 178.399 176.300 0.024 0.000 1.131 930 R CA 1.206 57.335 56.100 0.049 0.000 0.960 930 R CB -0.339 29.977 30.300 0.026 0.000 0.856 930 R HN 0.485 nan 8.270 nan 0.000 0.436 931 Y N -0.728 119.620 120.300 0.079 0.000 2.519 931 Y HA -0.053 4.498 4.550 0.001 0.000 0.287 931 Y C 1.698 177.624 175.900 0.044 0.000 1.128 931 Y CA 0.197 58.339 58.100 0.070 0.000 1.282 931 Y CB 0.270 38.791 38.460 0.102 0.000 1.027 931 Y HN 0.126 nan 8.280 nan 0.000 0.551 932 L N 0.327 121.654 121.223 0.174 0.000 2.270 932 L HA -0.022 4.318 4.340 0.001 0.000 0.210 932 L C 2.156 179.058 176.870 0.053 0.000 1.104 932 L CA 1.469 56.370 54.840 0.102 0.000 0.804 932 L CB -0.425 41.687 42.059 0.088 0.000 0.937 932 L HN -0.016 nan 8.230 nan 0.000 0.450 933 K N 0.080 120.500 120.400 0.033 0.000 2.026 933 K HA -0.077 4.244 4.320 0.001 0.000 0.208 933 K C -0.651 175.944 176.600 -0.008 0.000 1.048 933 K CA 1.651 57.941 56.287 0.004 0.000 0.929 933 K CB -0.873 31.620 32.500 -0.011 0.000 0.713 933 K HN 0.280 nan 8.250 nan 0.000 0.439 934 P HA -0.134 nan 4.420 nan 0.000 0.221 934 P C 1.272 178.564 177.300 -0.012 0.000 1.150 934 P CA 1.289 64.373 63.100 -0.026 0.000 0.800 934 P CB -0.010 31.663 31.700 -0.046 0.000 0.787 935 I N -0.834 119.742 120.570 0.010 0.000 2.286 935 I HA -0.156 4.015 4.170 0.001 0.000 0.245 935 I C 2.602 178.722 176.117 0.005 0.000 1.104 935 I CA 0.939 62.249 61.300 0.016 0.000 1.397 935 I CB -0.537 37.490 38.000 0.045 0.000 1.072 935 I HN -0.147 nan 8.210 nan 0.000 0.417 936 L N 0.427 121.656 121.223 0.010 0.000 2.046 936 L HA -0.203 4.137 4.340 0.001 0.000 0.208 936 L C 2.402 179.265 176.870 -0.012 0.000 1.077 936 L CA 1.566 56.409 54.840 0.005 0.000 0.747 936 L CB -0.507 41.557 42.059 0.008 0.000 0.896 936 L HN 0.260 nan 8.230 nan 0.000 0.432 937 E N -0.556 119.633 120.200 -0.018 0.000 2.274 937 E HA -0.193 4.158 4.350 0.001 0.000 0.194 937 E C 2.193 178.766 176.600 -0.045 0.000 0.996 937 E CA 0.324 56.706 56.400 -0.028 0.000 0.840 937 E CB 0.065 29.749 29.700 -0.026 0.000 0.772 937 E HN 0.331 nan 8.360 nan 0.000 0.491 938 R N 1.093 121.563 120.500 -0.050 0.000 2.062 938 R HA -0.130 4.211 4.340 0.001 0.000 0.229 938 R C 1.307 177.527 176.300 -0.134 0.000 1.128 938 R CA 1.546 57.598 56.100 -0.081 0.000 0.960 938 R CB 0.118 30.378 30.300 -0.067 0.000 0.855 938 R HN 0.043 nan 8.270 nan 0.000 0.432 939 D N -0.167 120.167 120.400 -0.111 0.000 2.277 939 D HA -0.092 4.548 4.640 0.001 0.000 0.208 939 D C 1.843 178.099 176.300 -0.074 0.000 0.962 939 D CA 0.609 54.524 54.000 -0.141 0.000 0.865 939 D CB 0.013 40.808 40.800 -0.009 0.000 0.939 939 D HN 0.246 nan 8.370 nan 0.000 0.510 940 R N 0.731 121.204 120.500 -0.046 0.000 2.115 940 R HA 0.020 4.360 4.340 0.001 0.000 0.226 940 R C 2.004 178.283 176.300 -0.035 0.000 1.100 940 R CA 1.072 57.157 56.100 -0.026 0.000 0.980 940 R CB 0.079 30.365 30.300 -0.024 0.000 0.875 940 R HN 0.020 nan 8.270 nan 0.000 0.445 941 A N 0.730 123.516 122.820 -0.058 0.000 1.970 941 A HA 0.036 4.356 4.320 0.001 0.000 0.216 941 A C 1.028 178.575 177.584 -0.061 0.000 1.170 941 A CA 0.358 52.365 52.037 -0.050 0.000 0.645 941 A CB -0.170 18.797 19.000 -0.055 0.000 0.816 941 A HN 0.221 nan 8.150 nan 0.000 0.447 945 A N 0.880 123.754 122.820 0.091 0.000 1.929 945 A HA -0.031 4.289 4.320 0.001 0.000 0.216 945 A C 1.788 179.428 177.584 0.093 0.000 1.176 945 A CA 1.253 53.332 52.037 0.069 0.000 0.628 945 A CB -0.189 18.826 19.000 0.025 0.000 0.816 945 A HN 0.215 nan 8.150 nan 0.000 0.444 946 R N -1.827 118.755 120.500 0.137 0.000 2.093 946 R HA -0.046 4.295 4.340 0.001 0.000 0.224 946 R C 1.999 178.380 176.300 0.134 0.000 1.101 946 R CA 1.362 57.543 56.100 0.135 0.000 0.979 946 R CB -1.016 29.389 30.300 0.176 0.000 0.877 946 R HN 0.701 nan 8.270 nan 0.000 0.441 947 Y N 2.488 122.811 120.300 0.039 0.000 2.165 947 Y HA -0.198 4.352 4.550 0.001 0.000 0.286 947 Y C 1.866 177.775 175.900 0.016 0.000 1.155 947 Y CA 1.716 59.831 58.100 0.024 0.000 1.164 947 Y CB 0.022 38.496 38.460 0.024 0.000 0.978 947 Y HN 0.111 nan 8.280 nan 0.000 0.513 948 E N 0.497 120.702 120.200 0.008 0.000 2.107 948 E HA 0.021 4.371 4.350 0.001 0.000 0.191 948 E C 1.269 177.819 176.600 -0.084 0.000 0.982 948 E CA 0.371 56.720 56.400 -0.085 0.000 0.809 948 E CB -0.232 29.478 29.700 0.017 0.000 0.756 948 E HN 0.438 nan 8.360 nan 0.000 0.459 949 A N 0.000 122.801 122.820 -0.031 0.000 2.254 949 A HA 0.000 4.320 4.320 0.001 0.000 0.244 949 A CA 0.000 52.022 52.037 -0.026 0.000 0.836 949 A CB 0.000 19.001 19.000 0.002 0.000 0.831 949 A HN 0.000 nan 8.150 nan 0.000 0.486