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 3mmp_1_F DATA FIRST_RESID 7 DATA SEQUENCE SRNSLSAQLR RAANTRIEVE GNLALSIAND LLLAYGQSPF NSEAECISFS DATA SEQUENCE PRFDGTPDDF RINYLKAEIM SKYDDFSLGI DTEAVAWEKF LAAEAECALT DATA SEQUENCE NARLYRPXXX XXFNFSLGES CIHMARRKIA KLIGDVPSVE GMLRHCRFSG DATA SEQUENCE GATTTNNRSY GHPSFKFALP QACTPRALKY VLALRASTHF DTRISDISPF DATA SEQUENCE NKAVTVPKNS KTDRCIAIEP GWNMFFQLGI GGILRDRLRC WGIDLNDQTI DATA SEQUENCE NQRRAHEGSV TNNLATVDLS AASDSISLAL CELLLPPGWF EVLMDLRSPK DATA SEQUENCE GRLPDGSVVT YEKISSMGNG YTFELESLIF ASLARSVCEI LDLDSSEVTV DATA SEQUENCE YGDDIILPSC AVPALREVFK YVGFTTNTKK TFSEGPFRES CGKHYYSGVD DATA SEQUENCE VTPFYIRHRI VSPADLILVL NNLYRWATID GVWDPRAHSV YLKYRKLLPK DATA SEQUENCE QLQRNTIPDG YGDGALVGSV LINPFAKNRG WIRYVPVITD HTRDRERAEL DATA SEQUENCE GSYLYDLFSR CLSXXXXXXX XXXXXXCDSA DLFAIDQLIC RSNPTKISRS DATA SEQUENCE TGKFDIQYIA CSSRVLA 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 7 S HA 0.000 nan 4.470 nan 0.000 0.327 7 S C 0.000 174.603 174.600 0.006 0.000 1.055 7 S CA 0.000 58.202 58.200 0.004 0.000 1.107 7 S CB 0.000 63.201 63.200 0.002 0.000 0.593 8 R N 0.156 120.661 120.500 0.007 0.000 2.928 8 R HA 0.440 4.780 4.340 0.000 0.000 0.248 8 R C -1.532 174.777 176.300 0.015 0.000 1.796 8 R CA -0.629 55.477 56.100 0.010 0.000 1.477 8 R CB -0.440 29.865 30.300 0.008 0.000 1.484 8 R HN -0.013 nan 8.270 nan 0.000 0.623 9 N N 2.071 120.781 118.700 0.018 0.000 3.245 9 N HA 0.012 4.752 4.740 0.000 0.000 0.296 9 N C -0.167 175.365 175.510 0.037 0.000 1.254 9 N CA 0.057 53.122 53.050 0.024 0.000 1.190 9 N CB 1.075 39.576 38.487 0.023 0.000 1.460 9 N HN 0.692 nan 8.380 nan 0.000 0.538 10 S N -0.507 115.216 115.700 0.039 0.000 2.572 10 S HA 0.080 4.550 4.470 0.000 0.000 0.267 10 S C 1.781 176.428 174.600 0.079 0.000 1.361 10 S CA -0.493 57.740 58.200 0.056 0.000 1.009 10 S CB 0.822 64.053 63.200 0.051 0.000 0.888 10 S HN 0.376 nan 8.310 nan 0.000 0.553 11 L N 1.135 122.431 121.223 0.123 0.000 2.081 11 L HA -0.131 4.209 4.340 0.000 0.000 0.212 11 L C 3.043 179.967 176.870 0.089 0.000 1.080 11 L CA 1.713 56.652 54.840 0.165 0.000 0.754 11 L CB -0.996 41.252 42.059 0.314 0.000 0.893 11 L HN 0.898 nan 8.230 nan 0.000 0.433 12 S N -0.445 115.333 115.700 0.130 0.000 2.368 12 S HA -0.149 4.321 4.470 0.000 0.000 0.225 12 S C 2.102 176.724 174.600 0.037 0.000 1.030 12 S CA 1.227 59.495 58.200 0.115 0.000 0.999 12 S CB -0.053 63.278 63.200 0.217 0.000 0.844 12 S HN 0.454 nan 8.310 nan 0.000 0.459 13 A N 0.723 123.565 122.820 0.038 0.000 1.897 13 A HA -0.058 4.262 4.320 0.000 0.000 0.215 13 A C 2.089 179.670 177.584 -0.005 0.000 1.181 13 A CA 1.380 53.426 52.037 0.016 0.000 0.620 13 A CB -0.760 18.252 19.000 0.020 0.000 0.821 13 A HN 0.656 nan 8.150 nan 0.000 0.443 14 Q N -0.353 119.447 119.800 -0.001 0.000 2.077 14 Q HA -0.168 4.173 4.340 0.000 0.000 0.206 14 Q C 2.073 178.033 176.000 -0.067 0.000 0.989 14 Q CA 1.688 57.480 55.803 -0.017 0.000 0.853 14 Q CB -0.365 28.381 28.738 0.012 0.000 0.907 14 Q HN 0.677 nan 8.270 nan 0.000 0.418 15 L N -0.102 121.053 121.223 -0.113 0.000 2.056 15 L HA -0.166 4.174 4.340 0.000 0.000 0.207 15 L C 2.662 179.458 176.870 -0.123 0.000 1.078 15 L CA 1.091 55.819 54.840 -0.187 0.000 0.749 15 L CB -0.395 41.498 42.059 -0.276 0.000 0.901 15 L HN 0.202 nan 8.230 nan 0.000 0.433 16 R N 0.587 121.043 120.500 -0.073 0.000 2.081 16 R HA -0.214 4.126 4.340 0.000 0.000 0.235 16 R C 2.465 178.746 176.300 -0.031 0.000 1.131 16 R CA 1.585 57.664 56.100 -0.036 0.000 0.960 16 R CB -0.162 30.132 30.300 -0.011 0.000 0.856 16 R HN 0.207 nan 8.270 nan 0.000 0.436 17 R N 0.150 120.629 120.500 -0.035 0.000 2.073 17 R HA -0.128 4.212 4.340 0.000 0.000 0.234 17 R C 2.138 178.412 176.300 -0.043 0.000 1.134 17 R CA 1.723 57.805 56.100 -0.030 0.000 0.952 17 R CB -0.432 29.854 30.300 -0.023 0.000 0.850 17 R HN 0.309 nan 8.270 nan 0.000 0.433 18 A N 0.838 123.620 122.820 -0.064 0.000 1.883 18 A HA -0.136 4.184 4.320 0.000 0.000 0.217 18 A C 2.408 179.927 177.584 -0.108 0.000 1.186 18 A CA 1.859 53.847 52.037 -0.082 0.000 0.624 18 A CB -0.965 17.974 19.000 -0.101 0.000 0.822 18 A HN 0.584 nan 8.150 nan 0.000 0.444 19 A N -0.399 122.347 122.820 -0.123 0.000 2.019 19 A HA -0.134 4.186 4.320 0.000 0.000 0.219 19 A C 1.713 179.187 177.584 -0.183 0.000 1.164 19 A CA 1.463 53.382 52.037 -0.195 0.000 0.644 19 A CB -0.466 18.442 19.000 -0.153 0.000 0.805 19 A HN 0.566 nan 8.150 nan 0.000 0.449 20 N N 0.195 118.872 118.700 -0.038 0.000 2.336 20 N HA -0.004 4.736 4.740 0.000 0.000 0.189 20 N C 0.548 176.066 175.510 0.014 0.000 1.113 20 N CA 0.849 53.932 53.050 0.055 0.000 0.858 20 N CB 0.079 38.612 38.487 0.076 0.000 0.970 20 N HN 0.682 nan 8.380 nan 0.000 0.471 21 T N -1.419 113.112 114.554 -0.038 0.000 2.816 21 T HA 0.349 4.699 4.350 0.000 0.000 0.282 21 T C 0.496 175.174 174.700 -0.036 0.000 0.993 21 T CA -0.506 61.575 62.100 -0.031 0.000 0.994 21 T CB 1.692 70.536 68.868 -0.039 0.000 1.025 21 T HN -0.086 nan 8.240 nan 0.000 0.529 22 R N 0.529 121.018 120.500 -0.019 0.000 2.532 22 R HA 0.433 4.773 4.340 0.000 0.000 0.295 22 R C -0.217 176.071 176.300 -0.019 0.000 0.968 22 R CA -1.000 55.092 56.100 -0.015 0.000 0.916 22 R CB 1.166 31.469 30.300 0.005 0.000 1.124 22 R HN 0.581 nan 8.270 nan 0.000 0.463 23 I N 2.755 123.313 120.570 -0.019 0.000 2.505 23 I HA 0.039 4.209 4.170 0.000 0.000 0.287 23 I C 0.268 176.387 176.117 0.004 0.000 1.104 23 I CA 0.230 61.524 61.300 -0.010 0.000 1.387 23 I CB 0.522 38.520 38.000 -0.004 0.000 1.404 23 I HN 0.446 nan 8.210 nan 0.000 0.528 24 E N 6.266 126.467 120.200 0.003 0.000 2.055 24 E HA 0.483 4.833 4.350 0.000 0.000 0.274 24 E C -0.805 175.803 176.600 0.013 0.000 0.949 24 E CA -0.290 56.114 56.400 0.007 0.000 0.775 24 E CB 0.928 30.628 29.700 0.001 0.000 1.097 24 E HN 0.457 nan 8.360 nan 0.000 0.404 25 V N 1.267 121.194 119.914 0.022 0.000 3.147 25 V HA 0.611 4.731 4.120 0.000 0.000 0.306 25 V C -0.795 175.316 176.094 0.028 0.000 1.209 25 V CA -1.184 61.132 62.300 0.028 0.000 1.023 25 V CB 2.032 33.884 31.823 0.047 0.000 1.059 25 V HN 0.547 nan 8.190 nan 0.000 0.435 26 E N 2.586 122.802 120.200 0.027 0.000 2.289 26 E HA 0.632 4.982 4.350 0.000 0.000 0.278 26 E C 0.442 177.062 176.600 0.034 0.000 1.032 26 E CA 0.672 57.087 56.400 0.026 0.000 0.854 26 E CB 0.597 30.309 29.700 0.020 0.000 1.046 26 E HN 2.311 nan 8.360 nan 0.000 0.409 27 G N 3.158 111.979 108.800 0.034 0.000 2.632 27 G HA2 -0.286 3.674 3.960 0.000 0.000 0.224 27 G HA3 -0.286 3.674 3.960 0.000 0.000 0.224 27 G C -0.430 174.494 174.900 0.040 0.000 1.341 27 G CA -0.216 44.907 45.100 0.038 0.000 0.880 27 G HN 0.782 nan 8.290 nan 0.000 0.566 28 N N 0.829 119.547 118.700 0.031 0.000 2.482 28 N HA 0.291 5.031 4.740 0.000 0.000 0.242 28 N C 1.465 176.958 175.510 -0.030 0.000 1.100 28 N CA -0.246 52.808 53.050 0.006 0.000 0.946 28 N CB 0.964 39.440 38.487 -0.018 0.000 1.227 28 N HN 0.703 nan 8.380 nan 0.000 0.508 29 L N 5.299 126.518 121.223 -0.008 0.000 2.012 29 L HA -0.081 4.259 4.340 0.000 0.000 0.210 29 L C 2.053 178.853 176.870 -0.118 0.000 1.073 29 L CA 2.139 56.969 54.840 -0.017 0.000 0.748 29 L CB -1.111 40.961 42.059 0.022 0.000 0.891 29 L HN 0.590 nan 8.230 nan 0.000 0.431 30 A N -0.478 122.252 122.820 -0.150 0.000 1.884 30 A HA -0.280 4.040 4.320 0.000 0.000 0.219 30 A C 2.281 179.699 177.584 -0.276 0.000 1.197 30 A CA 2.306 54.195 52.037 -0.247 0.000 0.637 30 A CB -1.274 17.477 19.000 -0.415 0.000 0.827 30 A HN 0.488 nan 8.150 nan 0.000 0.450 31 L N 0.126 121.176 121.223 -0.289 0.000 2.042 31 L HA -0.132 4.208 4.340 0.000 0.000 0.210 31 L C 2.597 179.418 176.870 -0.082 0.000 1.076 31 L CA 2.585 57.330 54.840 -0.159 0.000 0.749 31 L CB -0.876 41.125 42.059 -0.097 0.000 0.893 31 L HN 0.350 nan 8.230 nan 0.000 0.432 32 S N -0.516 115.137 115.700 -0.079 0.000 2.368 32 S HA -0.122 4.349 4.470 0.000 0.000 0.225 32 S C 1.989 176.521 174.600 -0.114 0.000 1.030 32 S CA 1.594 59.781 58.200 -0.022 0.000 0.999 32 S CB -0.364 62.879 63.200 0.071 0.000 0.844 32 S HN 0.464 nan 8.310 nan 0.000 0.459 33 I N 1.639 121.993 120.570 -0.360 0.000 2.179 33 I HA -0.226 3.944 4.170 0.000 0.000 0.242 33 I C 2.687 178.668 176.117 -0.226 0.000 1.088 33 I CA 1.188 62.149 61.300 -0.565 0.000 1.357 33 I CB -0.460 37.177 38.000 -0.605 0.000 1.051 33 I HN 0.275 nan 8.210 nan 0.000 0.409 34 A N 0.650 123.372 122.820 -0.163 0.000 1.930 34 A HA -0.188 4.133 4.320 0.000 0.000 0.217 34 A C 2.040 179.562 177.584 -0.102 0.000 1.175 34 A CA 1.733 53.698 52.037 -0.119 0.000 0.627 34 A CB -0.568 18.398 19.000 -0.057 0.000 0.815 34 A HN 0.384 nan 8.150 nan 0.000 0.443 35 N N 0.352 119.019 118.700 -0.055 0.000 2.270 35 N HA -0.096 4.644 4.740 0.000 0.000 0.181 35 N C 1.006 176.489 175.510 -0.044 0.000 1.016 35 N CA 1.290 54.298 53.050 -0.070 0.000 0.870 35 N CB -0.327 38.151 38.487 -0.016 0.000 0.979 35 N HN 0.391 nan 8.380 nan 0.000 0.431 36 D N 0.181 120.589 120.400 0.013 0.000 2.183 36 D HA -0.062 4.578 4.640 0.000 0.000 0.203 36 D C 1.914 178.263 176.300 0.081 0.000 0.969 36 D CA 0.211 54.258 54.000 0.078 0.000 0.842 36 D CB -0.027 40.898 40.800 0.208 0.000 0.957 36 D HN 0.098 nan 8.370 nan 0.000 0.484 37 L N 0.550 121.803 121.223 0.050 0.000 2.027 37 L HA -0.060 4.280 4.340 0.000 0.000 0.206 37 L C 2.246 179.169 176.870 0.089 0.000 1.074 37 L CA 1.268 56.166 54.840 0.096 0.000 0.745 37 L CB -0.596 41.455 42.059 -0.013 0.000 0.898 37 L HN 0.011 nan 8.230 nan 0.000 0.433 38 L N -1.402 119.774 121.223 -0.078 0.000 2.042 38 L HA -0.277 4.063 4.340 0.000 0.000 0.210 38 L C 2.505 179.361 176.870 -0.025 0.000 1.076 38 L CA 1.326 56.087 54.840 -0.131 0.000 0.749 38 L CB -0.648 41.213 42.059 -0.330 0.000 0.893 38 L HN 0.284 nan 8.230 nan 0.000 0.432 39 L N -0.409 120.802 121.223 -0.020 0.000 2.046 39 L HA -0.193 4.147 4.340 0.000 0.000 0.208 39 L C 2.829 179.722 176.870 0.038 0.000 1.077 39 L CA 1.143 55.981 54.840 -0.003 0.000 0.747 39 L CB -0.682 41.375 42.059 -0.005 0.000 0.896 39 L HN 0.259 nan 8.230 nan 0.000 0.432 40 A N -1.180 121.691 122.820 0.085 0.000 2.067 40 A HA -0.192 4.128 4.320 0.000 0.000 0.219 40 A C 1.703 179.288 177.584 0.002 0.000 1.158 40 A CA 1.214 53.285 52.037 0.057 0.000 0.661 40 A CB -0.582 18.477 19.000 0.098 0.000 0.801 40 A HN 0.473 nan 8.150 nan 0.000 0.452 41 Y N -0.964 119.344 120.300 0.013 0.000 2.468 41 Y HA 0.349 4.899 4.550 0.000 0.000 0.268 41 Y C 1.674 177.569 175.900 -0.009 0.000 1.177 41 Y CA 0.314 58.427 58.100 0.022 0.000 1.265 41 Y CB 0.296 38.780 38.460 0.041 0.000 1.103 41 Y HN 0.427 nan 8.280 nan 0.000 0.522 42 G N 0.390 109.238 108.800 0.079 0.000 2.160 42 G HA2 -0.227 3.733 3.960 0.000 0.000 0.251 42 G HA3 -0.227 3.733 3.960 0.000 0.000 0.251 42 G C -0.130 174.775 174.900 0.008 0.000 1.008 42 G CA -0.202 44.916 45.100 0.029 0.000 0.724 42 G HN 0.213 nan 8.290 nan 0.000 0.514 43 Q N 0.346 120.136 119.800 -0.016 0.000 2.215 43 Q HA 0.622 4.962 4.340 0.000 0.000 0.256 43 Q C 0.738 176.656 176.000 -0.136 0.000 0.972 43 Q CA 0.039 55.787 55.803 -0.091 0.000 0.889 43 Q CB 1.485 30.124 28.738 -0.164 0.000 1.281 43 Q HN 0.770 nan 8.270 nan 0.000 0.456 44 S N 0.842 116.444 115.700 -0.162 0.000 2.564 44 S HA 0.425 4.895 4.470 0.000 0.000 0.278 44 S C -2.280 172.141 174.600 -0.298 0.000 1.333 44 S CA -0.945 57.152 58.200 -0.171 0.000 1.048 44 S CB 0.161 63.286 63.200 -0.124 0.000 0.900 44 S HN 0.275 nan 8.310 nan 0.000 0.505 45 P HA 0.336 nan 4.420 nan 0.000 0.276 45 P C -0.715 176.400 177.300 -0.309 0.000 1.261 45 P CA -0.789 62.128 63.100 -0.305 0.000 0.800 45 P CB 0.176 31.794 31.700 -0.138 0.000 1.066 46 F N 1.138 120.992 119.950 -0.160 0.000 2.506 46 F HA 0.054 4.581 4.527 0.000 0.000 0.371 46 F C 1.790 177.532 175.800 -0.096 0.000 1.078 46 F CA 0.237 58.149 58.000 -0.147 0.000 1.195 46 F CB -0.477 38.429 39.000 -0.156 0.000 1.099 46 F HN 0.292 nan 8.300 nan 0.000 0.548 47 N N 0.367 119.130 118.700 0.106 0.000 2.244 47 N HA -0.087 4.653 4.740 0.000 0.000 0.183 47 N C 0.074 175.604 175.510 0.034 0.000 1.016 47 N CA 1.012 54.091 53.050 0.048 0.000 0.866 47 N CB -0.230 38.276 38.487 0.032 0.000 0.980 47 N HN 0.457 nan 8.380 nan 0.000 0.430 48 S N -2.117 113.597 115.700 0.022 0.000 2.596 48 S HA 0.339 4.809 4.470 0.000 0.000 0.270 48 S C 0.173 174.695 174.600 -0.132 0.000 1.155 48 S CA -0.946 57.232 58.200 -0.037 0.000 0.827 48 S CB 1.636 64.809 63.200 -0.046 0.000 1.130 48 S HN 0.018 nan 8.310 nan 0.000 0.467 49 E N 0.780 120.870 120.200 -0.184 0.000 2.130 49 E HA -0.203 4.147 4.350 0.000 0.000 0.196 49 E C 2.250 178.490 176.600 -0.600 0.000 0.998 49 E CA 1.493 57.630 56.400 -0.438 0.000 0.806 49 E CB -0.438 29.047 29.700 -0.358 0.000 0.738 49 E HN 0.744 nan 8.360 nan 0.000 0.459 50 A N 1.492 124.103 122.820 -0.348 0.000 1.940 50 A HA -0.287 4.033 4.320 0.000 0.000 0.219 50 A C 2.066 179.510 177.584 -0.234 0.000 1.176 50 A CA 1.922 53.795 52.037 -0.274 0.000 0.631 50 A CB -0.514 18.399 19.000 -0.145 0.000 0.814 50 A HN 0.293 nan 8.150 nan 0.000 0.446 51 E N -0.491 119.605 120.200 -0.173 0.000 2.110 51 E HA -0.189 4.161 4.350 0.000 0.000 0.193 51 E C 1.802 178.273 176.600 -0.215 0.000 0.988 51 E CA 1.599 57.965 56.400 -0.057 0.000 0.804 51 E CB -0.654 29.111 29.700 0.109 0.000 0.745 51 E HN 0.550 nan 8.360 nan 0.000 0.458 52 C N 0.782 119.686 119.300 -0.659 0.000 2.391 52 C HA -0.174 4.286 4.460 0.000 0.000 0.276 52 C C 2.504 177.210 174.990 -0.474 0.000 1.217 52 C CA 1.321 59.692 59.018 -1.079 0.000 1.766 52 C CB -1.206 26.012 27.740 -0.869 0.000 2.046 52 C HN 0.720 nan 8.230 nan 0.000 0.475 53 I N -0.445 119.940 120.570 -0.309 0.000 3.860 53 I HA 0.148 4.318 4.170 0.000 0.000 0.319 53 I C 1.198 177.290 176.117 -0.042 0.000 1.279 53 I CA 0.913 62.136 61.300 -0.127 0.000 1.220 53 I CB -0.270 37.660 38.000 -0.116 0.000 1.027 53 I HN 0.288 nan 8.210 nan 0.000 0.428 54 S N 0.046 115.734 115.700 -0.020 0.000 2.751 54 S HA 0.364 4.834 4.470 0.000 0.000 0.247 54 S C -0.421 174.245 174.600 0.110 0.000 1.103 54 S CA -0.644 57.574 58.200 0.030 0.000 1.090 54 S CB -0.646 62.554 63.200 0.001 0.000 0.928 54 S HN 0.374 nan 8.310 nan 0.000 0.502 55 F N 2.378 122.330 119.950 0.004 0.000 2.427 55 F HA 0.700 5.227 4.527 0.000 0.000 0.346 55 F C -0.340 175.468 175.800 0.013 0.000 1.120 55 F CA -0.296 57.726 58.000 0.037 0.000 1.033 55 F CB 1.615 40.690 39.000 0.125 0.000 1.126 55 F HN 0.118 nan 8.300 nan 0.000 0.462 56 S N 7.648 122.905 115.700 -0.737 0.000 2.475 56 S HA 0.515 4.985 4.470 0.000 0.000 0.298 56 S C -2.467 171.639 174.600 -0.824 0.000 1.119 56 S CA -1.119 56.772 58.200 -0.516 0.000 1.085 56 S CB 1.425 64.477 63.200 -0.246 0.000 1.028 56 S HN 0.496 nan 8.310 nan 0.000 0.489 57 P HA 0.396 nan 4.420 nan 0.000 0.280 57 P C -1.246 175.822 177.300 -0.388 0.000 1.272 57 P CA -0.929 61.929 63.100 -0.403 0.000 0.819 57 P CB 0.653 32.115 31.700 -0.397 0.000 1.122 58 R N 0.160 120.509 120.500 -0.252 0.000 2.338 58 R HA 0.484 4.824 4.340 0.000 0.000 0.317 58 R C -0.652 175.657 176.300 0.014 0.000 0.968 58 R CA -0.612 55.441 56.100 -0.079 0.000 0.849 58 R CB 0.217 30.527 30.300 0.018 0.000 1.128 58 R HN 0.191 nan 8.270 nan 0.000 0.448 59 F N 2.716 122.827 119.950 0.269 0.000 2.783 59 F HA 0.130 4.657 4.527 0.000 0.000 0.338 59 F C -0.205 175.736 175.800 0.234 0.000 1.178 59 F CA -0.187 57.969 58.000 0.259 0.000 1.343 59 F CB -0.489 38.590 39.000 0.131 0.000 1.496 59 F HN 0.680 nan 8.300 nan 0.000 0.583 60 D N -1.845 118.771 120.400 0.361 0.000 2.664 60 D HA 0.754 5.394 4.640 0.000 0.000 0.292 60 D C 0.047 176.508 176.300 0.267 0.000 1.214 60 D CA -0.664 53.522 54.000 0.310 0.000 0.932 60 D CB 1.319 42.238 40.800 0.197 0.000 1.420 60 D HN 0.313 nan 8.370 nan 0.000 0.471 61 G N -0.849 108.085 108.800 0.222 0.000 2.603 61 G HA2 0.392 4.352 3.960 0.000 0.000 0.686 61 G HA3 0.392 4.352 3.960 0.000 0.000 0.686 61 G C 0.032 175.031 174.900 0.164 0.000 1.286 61 G CA -0.335 44.855 45.100 0.150 0.000 0.871 61 G HN 1.363 nan 8.290 nan 0.000 0.568 62 T N -0.714 113.905 114.554 0.108 0.000 2.856 62 T HA 0.504 4.855 4.350 0.000 0.000 0.306 62 T C -0.837 173.890 174.700 0.044 0.000 1.062 62 T CA -0.147 62.020 62.100 0.111 0.000 1.083 62 T CB 1.369 70.285 68.868 0.079 0.000 0.984 62 T HN 0.331 nan 8.240 nan 0.000 0.542 63 P HA -0.093 nan 4.420 nan 0.000 0.216 63 P C 1.145 178.452 177.300 0.011 0.000 1.153 63 P CA 1.254 64.363 63.100 0.015 0.000 0.858 63 P CB -0.044 31.754 31.700 0.163 0.000 0.789 64 D N -0.886 119.541 120.400 0.044 0.000 2.104 64 D HA -0.188 4.452 4.640 0.000 0.000 0.194 64 D C 1.620 177.956 176.300 0.061 0.000 0.994 64 D CA 1.340 55.374 54.000 0.058 0.000 0.830 64 D CB -0.463 40.379 40.800 0.071 0.000 0.959 64 D HN -0.010 nan 8.370 nan 0.000 0.452 65 D N -0.752 119.676 120.400 0.046 0.000 2.123 65 D HA -0.177 4.463 4.640 0.000 0.000 0.196 65 D C 1.798 178.090 176.300 -0.014 0.000 0.992 65 D CA 0.667 54.687 54.000 0.034 0.000 0.833 65 D CB -0.450 40.374 40.800 0.041 0.000 0.954 65 D HN 0.304 nan 8.370 nan 0.000 0.455 66 F N 1.464 121.276 119.950 -0.230 0.000 2.206 66 F HA -0.050 4.477 4.527 0.000 0.000 0.298 66 F C 2.440 178.146 175.800 -0.157 0.000 1.090 66 F CA 0.986 58.787 58.000 -0.332 0.000 1.323 66 F CB 0.018 38.492 39.000 -0.877 0.000 1.028 66 F HN -0.240 nan 8.300 nan 0.000 0.492 67 R N 0.058 120.554 120.500 -0.007 0.000 2.081 67 R HA -0.185 4.155 4.340 0.000 0.000 0.235 67 R C 2.195 178.543 176.300 0.080 0.000 1.131 67 R CA 1.983 58.131 56.100 0.080 0.000 0.960 67 R CB -0.609 29.741 30.300 0.084 0.000 0.856 67 R HN 0.442 nan 8.270 nan 0.000 0.436 68 I N 1.046 121.623 120.570 0.010 0.000 2.406 68 I HA -0.133 4.037 4.170 0.000 0.000 0.249 68 I C 1.630 177.624 176.117 -0.205 0.000 1.122 68 I CA 1.371 62.619 61.300 -0.087 0.000 1.431 68 I CB -0.347 37.560 38.000 -0.154 0.000 1.087 68 I HN 0.165 nan 8.210 nan 0.000 0.424 69 N N -0.695 117.878 118.700 -0.211 0.000 2.223 69 N HA -0.283 4.457 4.740 0.000 0.000 0.185 69 N C 1.821 177.186 175.510 -0.242 0.000 1.016 69 N CA 1.471 54.395 53.050 -0.211 0.000 0.863 69 N CB -0.305 38.056 38.487 -0.211 0.000 0.983 69 N HN 0.516 nan 8.380 nan 0.000 0.429 70 Y N -0.062 119.884 120.300 -0.590 0.000 2.347 70 Y HA 0.129 4.679 4.550 0.000 0.000 0.294 70 Y C 1.892 177.589 175.900 -0.339 0.000 1.117 70 Y CA 0.434 58.194 58.100 -0.566 0.000 1.184 70 Y CB -0.531 37.466 38.460 -0.771 0.000 1.047 70 Y HN 0.074 nan 8.280 nan 0.000 0.546 71 L N 1.182 122.222 121.223 -0.305 0.000 2.042 71 L HA -0.206 4.134 4.340 0.000 0.000 0.210 71 L C 2.414 178.981 176.870 -0.504 0.000 1.076 71 L CA 2.123 56.651 54.840 -0.521 0.000 0.749 71 L CB -0.842 40.834 42.059 -0.638 0.000 0.893 71 L HN 0.198 nan 8.230 nan 0.000 0.432 72 K N -0.756 119.406 120.400 -0.397 0.000 2.032 72 K HA -0.179 4.141 4.320 0.000 0.000 0.209 72 K C 1.983 178.523 176.600 -0.100 0.000 1.048 72 K CA 1.436 57.507 56.287 -0.360 0.000 0.927 72 K CB -0.300 31.829 32.500 -0.617 0.000 0.712 72 K HN 0.450 nan 8.250 nan 0.000 0.441 73 A N 0.891 123.707 122.820 -0.007 0.000 2.019 73 A HA -0.135 4.185 4.320 0.000 0.000 0.219 73 A C 1.692 179.239 177.584 -0.061 0.000 1.164 73 A CA 1.495 53.626 52.037 0.156 0.000 0.644 73 A CB -0.197 18.867 19.000 0.107 0.000 0.805 73 A HN 0.353 nan 8.150 nan 0.000 0.449 74 E N -0.941 119.088 120.200 -0.286 0.000 2.244 74 E HA 0.082 4.432 4.350 0.000 0.000 0.196 74 E C 1.912 178.349 176.600 -0.272 0.000 0.939 74 E CA 0.313 56.539 56.400 -0.290 0.000 0.884 74 E CB -0.402 28.937 29.700 -0.603 0.000 0.850 74 E HN 0.663 nan 8.360 nan 0.000 0.481 75 I N 0.711 121.024 120.570 -0.428 0.000 2.194 75 I HA -0.235 3.935 4.170 0.000 0.000 0.246 75 I C 1.440 177.420 176.117 -0.228 0.000 1.093 75 I CA 1.225 62.216 61.300 -0.516 0.000 1.355 75 I CB 0.203 37.819 38.000 -0.641 0.000 1.046 75 I HN 0.005 nan 8.210 nan 0.000 0.413 76 M N -0.387 119.130 119.600 -0.137 0.000 2.419 76 M HA 0.124 4.604 4.480 0.000 0.000 0.252 76 M C 1.898 178.252 176.300 0.088 0.000 1.143 76 M CA 0.284 55.555 55.300 -0.048 0.000 0.985 76 M CB -0.219 32.301 32.600 -0.134 0.000 1.489 76 M HN 0.077 nan 8.290 nan 0.000 0.484 77 S N 1.629 117.377 115.700 0.080 0.000 2.419 77 S HA -0.107 4.363 4.470 0.000 0.000 0.235 77 S C 1.532 176.197 174.600 0.108 0.000 1.019 77 S CA 1.353 59.616 58.200 0.104 0.000 0.982 77 S CB -0.014 63.266 63.200 0.134 0.000 0.789 77 S HN 0.543 nan 8.310 nan 0.000 0.490 78 K N -0.405 120.053 120.400 0.097 0.000 2.413 78 K HA 0.173 4.493 4.320 0.000 0.000 0.204 78 K C -0.489 176.093 176.600 -0.031 0.000 1.041 78 K CA -0.351 55.935 56.287 -0.002 0.000 1.082 78 K CB 0.356 32.784 32.500 -0.119 0.000 0.871 78 K HN 0.267 nan 8.250 nan 0.000 0.535 79 Y N 3.760 123.976 120.300 -0.141 0.000 2.721 79 Y HA -0.113 4.437 4.550 0.000 0.000 0.329 79 Y C 0.882 176.567 175.900 -0.357 0.000 1.211 79 Y CA -0.128 57.759 58.100 -0.355 0.000 1.512 79 Y CB 0.454 38.516 38.460 -0.663 0.000 1.249 79 Y HN 0.192 nan 8.280 nan 0.000 0.549 80 D N 1.678 121.635 120.400 -0.737 0.000 2.342 80 D HA -0.001 4.639 4.640 0.000 0.000 0.221 80 D C 0.090 176.096 176.300 -0.491 0.000 1.101 80 D CA 0.216 53.950 54.000 -0.443 0.000 0.837 80 D CB -0.043 40.604 40.800 -0.255 0.000 0.938 80 D HN 0.567 nan 8.370 nan 0.000 0.508 81 D N -0.554 119.313 120.400 -0.889 0.000 2.720 81 D HA 0.177 4.817 4.640 0.000 0.000 0.285 81 D C -0.674 175.534 176.300 -0.154 0.000 1.359 81 D CA -0.525 53.172 54.000 -0.506 0.000 0.818 81 D CB -0.297 40.168 40.800 -0.557 0.000 1.108 81 D HN 0.016 nan 8.370 nan 0.000 0.474 82 F N 0.138 120.130 119.950 0.069 0.000 2.403 82 F HA 0.296 4.823 4.527 0.000 0.000 0.320 82 F C 1.280 177.107 175.800 0.044 0.000 1.176 82 F CA -0.435 57.632 58.000 0.112 0.000 1.206 82 F CB 1.220 40.271 39.000 0.085 0.000 1.235 82 F HN -0.185 nan 8.300 nan 0.000 0.565 83 S N 2.419 118.285 115.700 0.276 0.000 2.514 83 S HA 0.324 4.794 4.470 0.000 0.000 0.179 83 S C 0.470 175.124 174.600 0.090 0.000 1.409 83 S CA -0.411 57.871 58.200 0.137 0.000 1.138 83 S CB -0.109 63.152 63.200 0.101 0.000 1.217 83 S HN 0.480 nan 8.310 nan 0.000 0.493 84 L N 0.863 122.137 121.223 0.084 0.000 2.693 84 L HA 0.314 4.654 4.340 0.000 0.000 0.235 84 L C 1.623 178.507 176.870 0.023 0.000 1.127 84 L CA -0.037 54.817 54.840 0.024 0.000 0.914 84 L CB 0.064 42.113 42.059 -0.017 0.000 1.193 84 L HN 0.687 nan 8.230 nan 0.000 0.502 85 G N 1.242 110.064 108.800 0.037 0.000 2.155 85 G HA2 -0.299 3.661 3.960 0.000 0.000 0.257 85 G HA3 -0.299 3.661 3.960 0.000 0.000 0.257 85 G C 0.280 175.196 174.900 0.026 0.000 0.983 85 G CA -0.044 45.073 45.100 0.028 0.000 0.676 85 G HN 0.306 nan 8.290 nan 0.000 0.528 86 I N 1.144 121.732 120.570 0.031 0.000 2.471 86 I HA 0.163 4.333 4.170 0.000 0.000 0.286 86 I C 0.207 176.340 176.117 0.025 0.000 1.079 86 I CA -0.281 61.035 61.300 0.027 0.000 1.398 86 I CB 0.878 38.896 38.000 0.030 0.000 1.403 86 I HN 0.008 nan 8.210 nan 0.000 0.530 87 D N 5.599 126.013 120.400 0.023 0.000 2.468 87 D HA 0.048 4.688 4.640 0.000 0.000 0.218 87 D C 1.310 177.615 176.300 0.008 0.000 1.155 87 D CA -0.290 53.722 54.000 0.021 0.000 0.924 87 D CB 0.840 41.659 40.800 0.032 0.000 1.029 87 D HN 0.641 nan 8.370 nan 0.000 0.515 88 T N 0.305 114.855 114.554 -0.007 0.000 3.007 88 T HA -0.133 4.217 4.350 0.000 0.000 0.270 88 T C 1.467 176.121 174.700 -0.077 0.000 1.107 88 T CA 0.834 62.915 62.100 -0.031 0.000 1.118 88 T CB 0.183 69.031 68.868 -0.034 0.000 0.889 88 T HN 0.439 nan 8.240 nan 0.000 0.506 89 E N 1.655 121.814 120.200 -0.068 0.000 2.021 89 E HA 0.133 4.483 4.350 0.000 0.000 0.189 89 E C 2.493 179.034 176.600 -0.099 0.000 0.980 89 E CA 0.777 57.096 56.400 -0.136 0.000 0.803 89 E CB -0.584 29.092 29.700 -0.040 0.000 0.766 89 E HN 0.477 nan 8.360 nan 0.000 0.449 90 A N 0.653 123.504 122.820 0.052 0.000 1.948 90 A HA -0.182 4.138 4.320 0.000 0.000 0.220 90 A C 2.426 180.066 177.584 0.094 0.000 1.177 90 A CA 1.687 53.805 52.037 0.135 0.000 0.636 90 A CB -0.885 18.181 19.000 0.109 0.000 0.815 90 A HN 0.253 nan 8.150 nan 0.000 0.449 91 V N -0.306 119.626 119.914 0.029 0.000 2.343 91 V HA -0.273 3.847 4.120 0.000 0.000 0.247 91 V C 3.051 179.150 176.094 0.009 0.000 1.051 91 V CA 2.020 64.335 62.300 0.024 0.000 1.036 91 V CB -1.259 30.567 31.823 0.005 0.000 0.654 91 V HN 0.650 nan 8.190 nan 0.000 0.451 92 A N -0.964 121.799 122.820 -0.094 0.000 1.858 92 A HA -0.256 4.064 4.320 0.000 0.000 0.216 92 A C 1.995 179.539 177.584 -0.067 0.000 1.190 92 A CA 1.971 53.901 52.037 -0.178 0.000 0.617 92 A CB -0.995 17.750 19.000 -0.424 0.000 0.827 92 A HN 0.671 nan 8.150 nan 0.000 0.443 93 W N -0.280 121.061 121.300 0.068 0.000 2.350 93 W HA -0.153 4.507 4.660 0.000 0.000 0.289 93 W C 2.280 178.903 176.519 0.173 0.000 1.215 93 W CA 1.036 58.438 57.345 0.095 0.000 1.236 93 W CB -0.060 29.410 29.460 0.016 0.000 1.130 93 W HN 0.545 nan 8.180 nan 0.000 0.541 94 E N 1.028 121.425 120.200 0.328 0.000 2.058 94 E HA -0.255 4.095 4.350 0.000 0.000 0.194 94 E C 1.915 178.645 176.600 0.216 0.000 0.997 94 E CA 1.696 58.233 56.400 0.228 0.000 0.801 94 E CB -0.054 29.733 29.700 0.144 0.000 0.746 94 E HN 0.218 nan 8.360 nan 0.000 0.450 95 K N -0.434 120.082 120.400 0.194 0.000 2.103 95 K HA -0.113 4.207 4.320 0.000 0.000 0.204 95 K C 2.015 178.741 176.600 0.210 0.000 1.052 95 K CA 1.072 57.452 56.287 0.154 0.000 0.945 95 K CB -0.257 32.308 32.500 0.107 0.000 0.722 95 K HN 0.171 nan 8.250 nan 0.000 0.443 96 F N 1.989 122.037 119.950 0.164 0.000 2.102 96 F HA -0.184 4.343 4.527 0.000 0.000 0.298 96 F C 1.690 177.616 175.800 0.211 0.000 1.105 96 F CA 1.331 59.470 58.000 0.232 0.000 1.239 96 F CB -0.113 39.150 39.000 0.437 0.000 0.991 96 F HN -0.121 nan 8.300 nan 0.000 0.474 97 L N 0.061 121.479 121.223 0.325 0.000 2.083 97 L HA -0.185 4.155 4.340 0.000 0.000 0.209 97 L C 2.847 179.730 176.870 0.022 0.000 1.083 97 L CA 1.094 56.011 54.840 0.129 0.000 0.752 97 L CB -1.322 40.858 42.059 0.202 0.000 0.899 97 L HN 0.304 nan 8.230 nan 0.000 0.433 98 A N 0.189 123.044 122.820 0.059 0.000 1.902 98 A HA -0.145 4.175 4.320 0.000 0.000 0.217 98 A C 2.556 180.139 177.584 -0.002 0.000 1.181 98 A CA 1.699 53.756 52.037 0.033 0.000 0.623 98 A CB -0.628 18.404 19.000 0.053 0.000 0.818 98 A HN 0.391 nan 8.150 nan 0.000 0.443 99 A N -0.400 122.408 122.820 -0.020 0.000 1.877 99 A HA -0.152 4.168 4.320 0.000 0.000 0.216 99 A C 1.962 179.502 177.584 -0.074 0.000 1.186 99 A CA 2.125 54.141 52.037 -0.034 0.000 0.620 99 A CB -0.536 18.447 19.000 -0.028 0.000 0.822 99 A HN 0.514 nan 8.150 nan 0.000 0.443 100 E N 0.176 120.276 120.200 -0.167 0.000 2.085 100 E HA -0.119 4.231 4.350 0.000 0.000 0.194 100 E C 2.018 178.581 176.600 -0.062 0.000 0.994 100 E CA 1.623 57.934 56.400 -0.148 0.000 0.801 100 E CB -0.432 29.107 29.700 -0.267 0.000 0.743 100 E HN 0.503 nan 8.360 nan 0.000 0.453 101 A N 0.220 123.013 122.820 -0.045 0.000 1.930 101 A HA -0.182 4.138 4.320 0.000 0.000 0.217 101 A C 2.144 179.718 177.584 -0.017 0.000 1.175 101 A CA 1.770 53.795 52.037 -0.018 0.000 0.627 101 A CB -0.625 18.372 19.000 -0.004 0.000 0.815 101 A HN 0.305 nan 8.150 nan 0.000 0.443 102 E N -0.123 120.067 120.200 -0.018 0.000 2.038 102 E HA -0.185 4.165 4.350 0.000 0.000 0.195 102 E C 1.896 178.479 176.600 -0.028 0.000 1.000 102 E CA 1.936 58.325 56.400 -0.017 0.000 0.803 102 E CB -0.745 28.953 29.700 -0.002 0.000 0.750 102 E HN 0.568 nan 8.360 nan 0.000 0.448 103 C N 0.513 119.800 119.300 -0.021 0.000 2.413 103 C HA -0.052 4.408 4.460 0.000 0.000 0.277 103 C C 2.750 177.726 174.990 -0.023 0.000 1.265 103 C CA 0.723 59.727 59.018 -0.023 0.000 1.752 103 C CB -1.426 26.316 27.740 0.003 0.000 1.998 103 C HN 0.608 nan 8.230 nan 0.000 0.489 104 A N 0.818 123.631 122.820 -0.011 0.000 1.873 104 A HA -0.189 4.131 4.320 0.000 0.000 0.218 104 A C 2.123 179.698 177.584 -0.015 0.000 1.193 104 A CA 1.832 53.869 52.037 -0.000 0.000 0.629 104 A CB -0.715 18.287 19.000 0.002 0.000 0.826 104 A HN 0.623 nan 8.150 nan 0.000 0.447 105 L N -0.935 120.269 121.223 -0.031 0.000 2.046 105 L HA -0.167 4.173 4.340 0.000 0.000 0.208 105 L C 2.814 179.633 176.870 -0.085 0.000 1.077 105 L CA 1.797 56.608 54.840 -0.048 0.000 0.747 105 L CB -0.996 41.034 42.059 -0.049 0.000 0.896 105 L HN 0.385 nan 8.230 nan 0.000 0.432 106 T N -0.662 113.827 114.554 -0.109 0.000 2.746 106 T HA -0.130 4.220 4.350 0.000 0.000 0.267 106 T C 1.735 176.314 174.700 -0.202 0.000 1.039 106 T CA 1.275 63.267 62.100 -0.179 0.000 1.142 106 T CB -0.254 68.502 68.868 -0.187 0.000 0.866 106 T HN 0.270 nan 8.240 nan 0.000 0.444 107 N N 1.401 120.017 118.700 -0.140 0.000 2.149 107 N HA -0.035 4.705 4.740 0.000 0.000 0.188 107 N C 2.018 177.494 175.510 -0.057 0.000 1.019 107 N CA 1.385 54.347 53.050 -0.146 0.000 0.857 107 N CB -0.469 38.038 38.487 0.033 0.000 0.997 107 N HN 0.455 nan 8.380 nan 0.000 0.426 108 A N 0.870 123.688 122.820 -0.002 0.000 1.898 108 A HA -0.046 4.274 4.320 0.000 0.000 0.214 108 A C 2.256 179.832 177.584 -0.014 0.000 1.183 108 A CA 0.862 52.925 52.037 0.043 0.000 0.622 108 A CB -0.345 18.671 19.000 0.026 0.000 0.824 108 A HN 0.170 nan 8.150 nan 0.000 0.444 109 R N -0.838 119.607 120.500 -0.091 0.000 2.092 109 R HA -0.080 4.260 4.340 0.000 0.000 0.231 109 R C 1.575 177.778 176.300 -0.162 0.000 1.119 109 R CA 1.325 57.348 56.100 -0.128 0.000 0.970 109 R CB -0.265 29.921 30.300 -0.190 0.000 0.864 109 R HN 0.389 nan 8.270 nan 0.000 0.440 110 L N -0.281 120.800 121.223 -0.237 0.000 2.240 110 L HA -0.049 4.291 4.340 0.000 0.000 0.211 110 L C 1.133 177.892 176.870 -0.184 0.000 1.106 110 L CA 1.377 56.050 54.840 -0.277 0.000 0.793 110 L CB -0.469 41.347 42.059 -0.404 0.000 0.927 110 L HN 0.183 nan 8.230 nan 0.000 0.446 111 Y N -0.889 119.375 120.300 -0.060 0.000 2.496 111 Y HA 0.193 4.743 4.550 0.000 0.000 0.313 111 Y C 0.834 176.718 175.900 -0.027 0.000 1.184 111 Y CA -0.383 57.695 58.100 -0.037 0.000 1.275 111 Y CB 0.088 38.532 38.460 -0.028 0.000 1.103 111 Y HN -0.037 nan 8.280 nan 0.000 0.513 112 R N 0.591 121.142 120.500 0.084 0.000 2.562 112 R HA 0.374 4.714 4.340 0.000 0.000 0.298 112 R C -2.196 174.127 176.300 0.037 0.000 0.961 112 R CA -1.739 54.392 56.100 0.051 0.000 0.881 112 R CB 1.068 31.380 30.300 0.020 0.000 1.159 112 R HN 0.065 nan 8.270 nan 0.000 0.450 120 N N 4.622 122.988 118.700 -0.556 0.000 2.443 120 N HA 0.520 5.260 4.740 0.000 0.000 0.295 120 N C -1.756 173.364 175.510 -0.650 0.000 1.076 120 N CA -0.172 52.619 53.050 -0.432 0.000 0.919 120 N CB 1.418 39.779 38.487 -0.210 0.000 1.176 120 N HN 0.522 nan 8.380 nan 0.000 0.487 121 F N 1.662 121.330 119.950 -0.469 0.000 2.551 121 F HA 0.632 5.159 4.527 0.000 0.000 0.316 121 F C -0.574 175.120 175.800 -0.176 0.000 1.089 121 F CA -0.688 57.119 58.000 -0.323 0.000 0.915 121 F CB 1.519 40.466 39.000 -0.088 0.000 1.186 121 F HN 0.351 nan 8.300 nan 0.000 0.456 122 S N 6.199 121.214 115.700 -1.142 0.000 2.562 122 S HA 0.347 4.817 4.470 0.000 0.000 0.274 122 S C -0.251 173.800 174.600 -0.916 0.000 1.160 122 S CA -0.699 56.968 58.200 -0.888 0.000 0.933 122 S CB 1.309 64.189 63.200 -0.533 0.000 1.100 122 S HN 0.914 nan 8.310 nan 0.000 0.468 123 L N 5.737 126.530 121.223 -0.717 0.000 2.027 123 L HA 0.278 4.618 4.340 0.000 0.000 0.206 123 L C 2.247 178.850 176.870 -0.445 0.000 1.074 123 L CA 2.850 57.412 54.840 -0.464 0.000 0.745 123 L CB -1.221 40.655 42.059 -0.304 0.000 0.898 123 L HN 0.961 nan 8.230 nan 0.000 0.433 124 G N -0.887 107.518 108.800 -0.658 0.000 2.514 124 G HA2 -0.300 3.660 3.960 0.000 0.000 0.217 124 G HA3 -0.300 3.660 3.960 0.000 0.000 0.217 124 G C 1.420 175.831 174.900 -0.815 0.000 1.198 124 G CA 0.925 45.466 45.100 -0.931 0.000 0.780 124 G HN 0.544 nan 8.290 nan 0.000 0.565 125 E N 0.389 120.042 120.200 -0.912 0.000 2.085 125 E HA -0.119 4.231 4.350 0.000 0.000 0.194 125 E C 2.956 179.319 176.600 -0.394 0.000 0.994 125 E CA 1.272 57.358 56.400 -0.524 0.000 0.801 125 E CB -0.150 29.333 29.700 -0.361 0.000 0.743 125 E HN 0.387 nan 8.360 nan 0.000 0.453 126 S N 0.445 116.014 115.700 -0.218 0.000 2.368 126 S HA -0.169 4.302 4.470 0.000 0.000 0.225 126 S C 2.200 176.792 174.600 -0.013 0.000 1.030 126 S CA 0.992 59.202 58.200 0.015 0.000 0.999 126 S CB -0.317 62.935 63.200 0.085 0.000 0.844 126 S HN 0.394 nan 8.310 nan 0.000 0.459 127 C N 1.293 120.539 119.300 -0.090 0.000 2.425 127 C HA 0.043 4.504 4.460 0.000 0.000 0.277 127 C C 2.439 177.414 174.990 -0.026 0.000 1.280 127 C CA 0.168 59.161 59.018 -0.042 0.000 1.744 127 C CB -1.363 26.352 27.740 -0.042 0.000 1.989 127 C HN 0.542 nan 8.230 nan 0.000 0.491 128 I N 0.051 120.565 120.570 -0.092 0.000 2.179 128 I HA -0.255 3.915 4.170 0.000 0.000 0.242 128 I C 2.374 178.472 176.117 -0.032 0.000 1.088 128 I CA 1.797 63.050 61.300 -0.079 0.000 1.357 128 I CB -0.561 37.356 38.000 -0.138 0.000 1.051 128 I HN 0.510 nan 8.210 nan 0.000 0.409 129 H N -0.231 118.848 119.070 0.015 0.000 2.352 129 H HA -0.170 4.386 4.556 0.000 0.000 0.299 129 H C 2.366 177.710 175.328 0.028 0.000 1.097 129 H CA 1.519 57.582 56.048 0.025 0.000 1.311 129 H CB -0.042 29.741 29.762 0.034 0.000 1.377 129 H HN 0.282 nan 8.280 nan 0.000 0.504 130 M N -0.214 119.472 119.600 0.144 0.000 2.160 130 M HA -0.045 4.435 4.480 0.000 0.000 0.264 130 M C 2.790 179.133 176.300 0.071 0.000 1.073 130 M CA 1.121 56.474 55.300 0.088 0.000 1.142 130 M CB 0.050 32.683 32.600 0.056 0.000 1.358 130 M HN 0.327 nan 8.290 nan 0.000 0.422 131 A N 0.499 123.357 122.820 0.064 0.000 1.908 131 A HA -0.192 4.128 4.320 0.000 0.000 0.218 131 A C 2.233 179.874 177.584 0.094 0.000 1.181 131 A CA 1.606 53.690 52.037 0.079 0.000 0.627 131 A CB -0.685 18.363 19.000 0.079 0.000 0.818 131 A HN 0.333 nan 8.150 nan 0.000 0.445 132 R N 0.428 120.976 120.500 0.079 0.000 2.094 132 R HA -0.183 4.158 4.340 0.000 0.000 0.239 132 R C 2.261 178.606 176.300 0.074 0.000 1.137 132 R CA 2.308 58.449 56.100 0.069 0.000 0.943 132 R CB -0.818 29.530 30.300 0.081 0.000 0.850 132 R HN 0.619 nan 8.270 nan 0.000 0.433 133 R N 0.188 120.738 120.500 0.083 0.000 2.073 133 R HA -0.090 4.250 4.340 0.000 0.000 0.234 133 R C 2.137 178.493 176.300 0.092 0.000 1.134 133 R CA 1.585 57.730 56.100 0.075 0.000 0.952 133 R CB -0.038 30.302 30.300 0.066 0.000 0.850 133 R HN 0.055 nan 8.270 nan 0.000 0.433 134 K N 0.592 121.064 120.400 0.121 0.000 2.057 134 K HA -0.115 4.205 4.320 0.000 0.000 0.206 134 K C 2.121 178.881 176.600 0.268 0.000 1.050 134 K CA 1.302 57.712 56.287 0.204 0.000 0.935 134 K CB -0.408 32.210 32.500 0.196 0.000 0.715 134 K HN 0.311 nan 8.250 nan 0.000 0.439 135 I N 1.366 122.061 120.570 0.209 0.000 2.208 135 I HA -0.305 3.865 4.170 0.000 0.000 0.245 135 I C 2.452 178.535 176.117 -0.055 0.000 1.097 135 I CA 1.339 62.667 61.300 0.047 0.000 1.363 135 I CB -0.403 37.590 38.000 -0.013 0.000 1.051 135 I HN 0.076 nan 8.210 nan 0.000 0.413 136 A N 0.781 123.602 122.820 0.003 0.000 1.902 136 A HA -0.234 4.086 4.320 0.000 0.000 0.217 136 A C 2.298 179.889 177.584 0.012 0.000 1.181 136 A CA 1.725 53.763 52.037 0.003 0.000 0.623 136 A CB -0.450 18.573 19.000 0.040 0.000 0.818 136 A HN 0.347 nan 8.150 nan 0.000 0.443 137 K N -0.888 119.536 120.400 0.042 0.000 2.097 137 K HA -0.093 4.227 4.320 0.000 0.000 0.206 137 K C 1.908 178.512 176.600 0.007 0.000 1.049 137 K CA 1.349 57.665 56.287 0.048 0.000 0.933 137 K CB -0.339 32.213 32.500 0.086 0.000 0.717 137 K HN 0.403 nan 8.250 nan 0.000 0.442 138 L N 1.336 122.531 121.223 -0.046 0.000 2.005 138 L HA -0.064 4.276 4.340 0.000 0.000 0.207 138 L C 1.874 178.615 176.870 -0.216 0.000 1.072 138 L CA 1.552 56.267 54.840 -0.208 0.000 0.744 138 L CB -0.085 41.652 42.059 -0.536 0.000 0.895 138 L HN 0.254 nan 8.230 nan 0.000 0.433 139 I N -3.696 116.731 120.570 -0.239 0.000 4.018 139 I HA 0.506 4.676 4.170 0.000 0.000 0.337 139 I C 1.024 177.204 176.117 0.105 0.000 1.327 139 I CA 0.161 61.329 61.300 -0.219 0.000 1.100 139 I CB -0.457 37.108 38.000 -0.724 0.000 1.025 139 I HN 0.296 nan 8.210 nan 0.000 0.396 140 G N 2.102 110.957 108.800 0.092 0.000 2.750 140 G HA2 -0.269 3.691 3.960 0.000 0.000 0.228 140 G HA3 -0.269 3.691 3.960 0.000 0.000 0.228 140 G C -0.096 174.992 174.900 0.313 0.000 1.367 140 G CA 0.287 45.499 45.100 0.188 0.000 0.871 140 G HN 0.308 nan 8.290 nan 0.000 0.560 141 D N -1.136 119.412 120.400 0.247 0.000 2.162 141 D HA 0.234 4.875 4.640 0.000 0.000 0.203 141 D C 1.095 177.539 176.300 0.240 0.000 0.967 141 D CA 1.824 55.959 54.000 0.225 0.000 0.840 141 D CB 0.519 41.388 40.800 0.115 0.000 0.972 141 D HN 0.631 nan 8.370 nan 0.000 0.482 142 V N 0.009 119.963 119.914 0.068 0.000 3.077 142 V HA 0.272 4.392 4.120 0.000 0.000 0.299 142 V C -2.633 173.145 176.094 -0.527 0.000 1.276 142 V CA -1.988 60.101 62.300 -0.352 0.000 0.993 142 V CB 2.494 34.213 31.823 -0.174 0.000 1.076 142 V HN -0.206 nan 8.190 nan 0.000 0.434 143 P HA 0.204 nan 4.420 nan 0.000 0.265 143 P C -0.643 176.497 177.300 -0.267 0.000 1.193 143 P CA 0.279 62.932 63.100 -0.745 0.000 0.765 143 P CB 0.393 31.569 31.700 -0.874 0.000 0.823 144 S N 1.515 117.159 115.700 -0.092 0.000 2.601 144 S HA 0.148 4.618 4.470 0.000 0.000 0.271 144 S C 1.277 175.874 174.600 -0.006 0.000 1.305 144 S CA -0.694 57.490 58.200 -0.027 0.000 1.022 144 S CB 0.607 63.821 63.200 0.024 0.000 0.940 144 S HN 0.154 nan 8.310 nan 0.000 0.525 145 V N 2.075 121.990 119.914 0.002 0.000 2.343 145 V HA -0.159 3.962 4.120 0.000 0.000 0.247 145 V C 2.497 178.614 176.094 0.038 0.000 1.051 145 V CA 2.296 64.610 62.300 0.024 0.000 1.036 145 V CB -1.307 30.525 31.823 0.015 0.000 0.654 145 V HN 0.877 nan 8.190 nan 0.000 0.451 146 E N 0.992 121.210 120.200 0.029 0.000 2.085 146 E HA -0.137 4.213 4.350 0.000 0.000 0.194 146 E C 2.300 178.920 176.600 0.035 0.000 0.994 146 E CA 1.483 57.897 56.400 0.025 0.000 0.801 146 E CB -0.962 28.751 29.700 0.022 0.000 0.743 146 E HN 0.572 nan 8.360 nan 0.000 0.453 147 G N 0.381 109.224 108.800 0.072 0.000 2.394 147 G HA2 -0.207 3.754 3.960 0.000 0.000 0.215 147 G HA3 -0.207 3.754 3.960 0.000 0.000 0.215 147 G C 1.454 176.453 174.900 0.165 0.000 1.165 147 G CA 0.795 45.985 45.100 0.150 0.000 0.784 147 G HN 0.052 nan 8.290 nan 0.000 0.535 148 M N 0.040 119.711 119.600 0.118 0.000 2.117 148 M HA 0.032 4.512 4.480 0.000 0.000 0.262 148 M C 2.478 178.842 176.300 0.107 0.000 1.065 148 M CA 0.774 56.157 55.300 0.139 0.000 1.114 148 M CB -1.068 31.633 32.600 0.167 0.000 1.361 148 M HN 0.142 nan 8.290 nan 0.000 0.408 149 L N 0.072 121.340 121.223 0.074 0.000 2.083 149 L HA -0.164 4.176 4.340 0.000 0.000 0.209 149 L C 2.599 179.434 176.870 -0.058 0.000 1.083 149 L CA 1.827 56.688 54.840 0.035 0.000 0.752 149 L CB -1.014 41.056 42.059 0.017 0.000 0.899 149 L HN 0.337 nan 8.230 nan 0.000 0.433 150 R N -2.269 118.165 120.500 -0.110 0.000 2.161 150 R HA -0.080 4.260 4.340 0.000 0.000 0.213 150 R C 1.709 177.786 176.300 -0.372 0.000 1.055 150 R CA 0.910 56.841 56.100 -0.282 0.000 0.996 150 R CB 0.014 30.087 30.300 -0.379 0.000 0.901 150 R HN 0.447 nan 8.270 nan 0.000 0.456 151 H N -1.359 117.696 119.070 -0.025 0.000 2.885 151 H HA 0.191 4.747 4.556 0.000 0.000 0.260 151 H C 0.266 175.529 175.328 -0.109 0.000 0.985 151 H CA -0.203 55.825 56.048 -0.034 0.000 1.210 151 H CB 0.229 29.992 29.762 0.002 0.000 1.466 151 H HN 0.117 nan 8.280 nan 0.000 0.493 152 C N 3.474 122.720 119.300 -0.089 0.000 2.662 152 C HA 0.383 4.843 4.460 0.000 0.000 0.420 152 C C 1.051 175.677 174.990 -0.607 0.000 1.314 152 C CA 0.041 58.760 59.018 -0.498 0.000 1.963 152 C CB -0.586 26.746 27.740 -0.680 0.000 2.686 152 C HN 0.647 nan 8.230 nan 0.000 0.609 153 R N 1.306 121.205 120.500 -1.001 0.000 2.828 153 R HA 0.476 4.816 4.340 0.000 0.000 0.280 153 R C -1.919 174.067 176.300 -0.523 0.000 1.020 153 R CA -0.784 54.984 56.100 -0.554 0.000 0.855 153 R CB 0.257 30.563 30.300 0.011 0.000 1.278 153 R HN 0.344 nan 8.270 nan 0.000 0.495 154 F N 1.295 121.202 119.950 -0.072 0.000 2.371 154 F HA 0.469 4.996 4.527 0.000 0.000 0.329 154 F C 1.242 176.975 175.800 -0.112 0.000 1.107 154 F CA 0.103 58.028 58.000 -0.124 0.000 1.137 154 F CB 1.810 40.638 39.000 -0.287 0.000 1.214 154 F HN 0.745 nan 8.300 nan 0.000 0.536 155 S N 0.374 116.135 115.700 0.101 0.000 2.690 155 S HA 0.612 5.082 4.470 0.000 0.000 0.285 155 S C 0.837 175.400 174.600 -0.061 0.000 1.135 155 S CA -0.177 58.029 58.200 0.009 0.000 1.020 155 S CB 1.120 64.321 63.200 0.001 0.000 1.159 155 S HN 0.780 nan 8.310 nan 0.000 0.534 156 G N -0.983 107.776 108.800 -0.069 0.000 3.337 156 G HA2 0.512 4.472 3.960 0.000 0.000 0.246 156 G HA3 0.512 4.472 3.960 0.000 0.000 0.246 156 G C 0.455 175.328 174.900 -0.045 0.000 1.131 156 G CA -0.066 44.982 45.100 -0.086 0.000 0.773 156 G HN 0.935 nan 8.290 nan 0.000 0.544 157 G N -0.409 108.366 108.800 -0.041 0.000 2.537 157 G HA2 0.586 4.546 3.960 0.000 0.000 0.297 157 G HA3 0.586 4.546 3.960 0.000 0.000 0.297 157 G C 0.193 175.070 174.900 -0.040 0.000 1.310 157 G CA 0.033 45.114 45.100 -0.033 0.000 1.027 157 G HN 0.447 nan 8.290 nan 0.000 0.505 158 A N -0.713 122.087 122.820 -0.034 0.000 2.386 158 A HA 0.647 4.967 4.320 0.000 0.000 0.248 158 A C 0.853 178.412 177.584 -0.042 0.000 1.082 158 A CA 0.646 52.661 52.037 -0.037 0.000 0.789 158 A CB 0.117 19.101 19.000 -0.026 0.000 1.025 158 A HN 1.484 nan 8.150 nan 0.000 0.490 159 T N -3.006 111.515 114.554 -0.056 0.000 2.831 159 T HA 0.506 4.856 4.350 0.000 0.000 0.287 159 T C 1.086 175.761 174.700 -0.042 0.000 1.070 159 T CA 0.212 62.280 62.100 -0.053 0.000 1.010 159 T CB 0.622 69.430 68.868 -0.100 0.000 1.264 159 T HN 1.050 nan 8.240 nan 0.000 0.532 160 T N -1.461 113.079 114.554 -0.023 0.000 2.929 160 T HA -0.086 4.264 4.350 0.000 0.000 0.271 160 T C 1.700 176.379 174.700 -0.035 0.000 1.085 160 T CA 1.783 63.878 62.100 -0.009 0.000 1.125 160 T CB -1.146 67.736 68.868 0.025 0.000 0.874 160 T HN 0.914 nan 8.240 nan 0.000 0.494 161 T N -1.751 112.762 114.554 -0.068 0.000 2.990 161 T HA 0.240 4.590 4.350 0.000 0.000 0.250 161 T C 0.552 175.181 174.700 -0.118 0.000 1.041 161 T CA -0.512 61.531 62.100 -0.094 0.000 1.010 161 T CB -0.111 68.687 68.868 -0.116 0.000 1.003 161 T HN 0.394 nan 8.240 nan 0.000 0.499 162 N N 3.196 121.832 118.700 -0.106 0.000 2.479 162 N HA 0.304 5.045 4.740 0.000 0.000 0.261 162 N C -1.091 174.399 175.510 -0.033 0.000 0.979 162 N CA -0.628 52.373 53.050 -0.081 0.000 0.930 162 N CB 1.405 39.832 38.487 -0.101 0.000 1.172 162 N HN 0.424 nan 8.380 nan 0.000 0.499 163 N N 1.561 120.264 118.700 0.006 0.000 2.294 163 N HA 0.120 4.860 4.740 0.000 0.000 0.248 163 N C 1.172 176.670 175.510 -0.020 0.000 1.300 163 N CA -0.278 52.770 53.050 -0.002 0.000 0.925 163 N CB 0.740 39.232 38.487 0.007 0.000 1.188 163 N HN 0.277 nan 8.380 nan 0.000 0.512 164 R N -0.291 120.183 120.500 -0.044 0.000 2.103 164 R HA -0.140 4.200 4.340 0.000 0.000 0.242 164 R C 1.835 178.073 176.300 -0.105 0.000 1.142 164 R CA 1.865 57.929 56.100 -0.059 0.000 0.960 164 R CB -1.722 28.543 30.300 -0.058 0.000 0.858 164 R HN 0.849 nan 8.270 nan 0.000 0.439 165 S N -0.327 115.261 115.700 -0.187 0.000 2.481 165 S HA -0.080 4.390 4.470 0.000 0.000 0.231 165 S C 0.983 175.193 174.600 -0.650 0.000 0.996 165 S CA 0.483 58.459 58.200 -0.372 0.000 0.942 165 S CB -0.209 62.725 63.200 -0.444 0.000 0.768 165 S HN 0.356 nan 8.310 nan 0.000 0.520 166 Y N 1.575 121.728 120.300 -0.245 0.000 2.751 166 Y HA 0.529 5.079 4.550 0.000 0.000 0.289 166 Y C 1.889 177.736 175.900 -0.087 0.000 1.110 166 Y CA -0.715 57.140 58.100 -0.409 0.000 1.251 166 Y CB -0.016 38.098 38.460 -0.577 0.000 1.178 166 Y HN 0.343 nan 8.280 nan 0.000 0.540 167 G N -1.457 107.383 108.800 0.066 0.000 2.623 167 G HA2 -0.138 3.822 3.960 0.000 0.000 0.214 167 G HA3 -0.138 3.822 3.960 0.000 0.000 0.214 167 G C 0.512 175.448 174.900 0.059 0.000 1.138 167 G CA -0.054 45.069 45.100 0.038 0.000 0.794 167 G HN 0.358 nan 8.290 nan 0.000 0.535 168 H N 1.512 120.632 119.070 0.084 0.000 2.928 168 H HA 0.049 4.605 4.556 0.000 0.000 0.338 168 H C -1.349 173.877 175.328 -0.169 0.000 1.047 168 H CA -1.060 54.964 56.048 -0.039 0.000 1.435 168 H CB 1.774 31.517 29.762 -0.032 0.000 1.428 168 H HN -0.055 nan 8.280 nan 0.000 0.590 169 P HA -0.227 nan 4.420 nan 0.000 0.217 169 P C 1.652 178.725 177.300 -0.379 0.000 1.151 169 P CA 2.372 65.085 63.100 -0.646 0.000 0.849 169 P CB 0.016 31.041 31.700 -1.126 0.000 0.787 170 S N -1.775 113.771 115.700 -0.255 0.000 2.400 170 S HA -0.192 4.278 4.470 0.000 0.000 0.232 170 S C 1.679 176.216 174.600 -0.104 0.000 1.025 170 S CA 1.266 59.453 58.200 -0.022 0.000 0.993 170 S CB -1.693 61.486 63.200 -0.035 0.000 0.808 170 S HN 0.008 nan 8.310 nan 0.000 0.478 171 F N 2.026 121.971 119.950 -0.008 0.000 2.615 171 F HA 0.304 4.831 4.527 0.000 0.000 0.297 171 F C 2.338 177.967 175.800 -0.285 0.000 1.124 171 F CA 0.214 58.172 58.000 -0.070 0.000 1.451 171 F CB -0.132 38.888 39.000 0.032 0.000 1.103 171 F HN 0.102 nan 8.300 nan 0.000 0.569 172 K N -0.620 119.551 120.400 -0.382 0.000 2.167 172 K HA -0.027 4.293 4.320 0.000 0.000 0.203 172 K C 1.816 177.750 176.600 -1.110 0.000 1.052 172 K CA 1.025 56.668 56.287 -1.074 0.000 0.956 172 K CB -0.672 30.645 32.500 -1.972 0.000 0.735 172 K HN 0.250 nan 8.250 nan 0.000 0.451 173 F N 1.048 120.712 119.950 -0.476 0.000 2.416 173 F HA 0.037 4.564 4.527 0.000 0.000 0.296 173 F C 2.336 178.068 175.800 -0.114 0.000 1.099 173 F CA 0.646 58.529 58.000 -0.195 0.000 1.427 173 F CB -0.348 38.612 39.000 -0.066 0.000 1.079 173 F HN -0.032 nan 8.300 nan 0.000 0.536 174 A N -0.029 122.828 122.820 0.062 0.000 1.898 174 A HA 0.139 4.459 4.320 0.000 0.000 0.214 174 A C 0.969 178.571 177.584 0.030 0.000 1.183 174 A CA 0.604 52.689 52.037 0.080 0.000 0.622 174 A CB -0.609 18.470 19.000 0.132 0.000 0.824 174 A HN 0.169 nan 8.150 nan 0.000 0.444 175 L N 0.393 121.588 121.223 -0.047 0.000 2.309 175 L HA 0.386 4.727 4.340 0.000 0.000 0.282 175 L C -2.648 174.148 176.870 -0.124 0.000 1.036 175 L CA -2.372 52.415 54.840 -0.089 0.000 0.806 175 L CB 1.168 43.139 42.059 -0.148 0.000 1.220 175 L HN -0.040 nan 8.230 nan 0.000 0.429 176 P HA 0.040 nan 4.420 nan 0.000 0.264 176 P C -0.902 176.361 177.300 -0.062 0.000 1.193 176 P CA -0.073 63.042 63.100 0.025 0.000 0.763 176 P CB 0.442 32.187 31.700 0.075 0.000 0.810 177 Q N 1.546 121.267 119.800 -0.132 0.000 2.193 177 Q HA 0.603 4.943 4.340 0.000 0.000 0.246 177 Q C 0.183 176.230 176.000 0.079 0.000 0.959 177 Q CA -0.724 54.922 55.803 -0.261 0.000 0.904 177 Q CB 1.548 29.804 28.738 -0.803 0.000 1.238 177 Q HN 0.457 nan 8.270 nan 0.000 0.469 178 A N 0.559 123.419 122.820 0.066 0.000 2.296 178 A HA 0.594 4.914 4.320 0.000 0.000 0.264 178 A C 0.152 177.903 177.584 0.278 0.000 1.097 178 A CA -0.185 51.949 52.037 0.162 0.000 0.811 178 A CB 0.255 19.314 19.000 0.099 0.000 1.072 178 A HN 0.916 nan 8.150 nan 0.000 0.495 179 C N -0.807 118.637 119.300 0.240 0.000 3.239 179 C HA 0.833 5.293 4.460 0.000 0.000 0.317 179 C C 0.199 175.273 174.990 0.142 0.000 1.310 179 C CA 0.034 59.190 59.018 0.230 0.000 1.371 179 C CB 0.765 28.675 27.740 0.283 0.000 1.714 179 C HN 1.414 nan 8.230 nan 0.000 0.473 180 T N -0.678 113.943 114.554 0.112 0.000 2.828 180 T HA 0.512 4.862 4.350 0.000 0.000 0.290 180 T C -1.753 172.978 174.700 0.051 0.000 1.019 180 T CA -0.713 61.426 62.100 0.064 0.000 1.031 180 T CB 0.730 69.621 68.868 0.038 0.000 1.001 180 T HN 0.608 nan 8.240 nan 0.000 0.531 181 P HA -0.052 nan 4.420 nan 0.000 0.215 181 P C 1.540 178.855 177.300 0.025 0.000 1.157 181 P CA 1.136 64.250 63.100 0.023 0.000 0.868 181 P CB 0.058 31.763 31.700 0.008 0.000 0.788 182 R N -0.752 119.761 120.500 0.022 0.000 2.189 182 R HA 0.090 4.430 4.340 0.000 0.000 0.218 182 R C 1.969 178.316 176.300 0.080 0.000 1.074 182 R CA 1.111 57.233 56.100 0.037 0.000 0.991 182 R CB -0.569 29.742 30.300 0.018 0.000 0.883 182 R HN 0.150 nan 8.270 nan 0.000 0.457 183 A N 0.774 123.625 122.820 0.052 0.000 2.238 183 A HA 0.008 4.328 4.320 0.000 0.000 0.210 183 A C 1.863 179.508 177.584 0.101 0.000 1.179 183 A CA 0.014 52.078 52.037 0.046 0.000 0.827 183 A CB -0.053 18.943 19.000 -0.006 0.000 0.856 183 A HN 0.200 nan 8.150 nan 0.000 0.488 184 L N 1.178 122.438 121.223 0.061 0.000 2.043 184 L HA -0.224 4.116 4.340 0.000 0.000 0.212 184 L C 2.388 179.238 176.870 -0.033 0.000 1.075 184 L CA 2.801 57.647 54.840 0.009 0.000 0.752 184 L CB -0.494 41.567 42.059 0.003 0.000 0.891 184 L HN 0.551 nan 8.230 nan 0.000 0.432 185 K N -2.149 118.229 120.400 -0.037 0.000 2.211 185 K HA -0.203 4.117 4.320 0.000 0.000 0.203 185 K C 2.006 178.453 176.600 -0.255 0.000 1.050 185 K CA 1.771 57.967 56.287 -0.151 0.000 0.945 185 K CB -0.837 31.540 32.500 -0.205 0.000 0.732 185 K HN 0.408 nan 8.250 nan 0.000 0.451 186 Y N 1.821 121.920 120.300 -0.334 0.000 2.163 186 Y HA -0.179 4.371 4.550 0.000 0.000 0.288 186 Y C 2.607 178.287 175.900 -0.366 0.000 1.136 186 Y CA 0.875 58.624 58.100 -0.586 0.000 1.147 186 Y CB -0.405 37.261 38.460 -1.325 0.000 0.987 186 Y HN -0.201 nan 8.280 nan 0.000 0.509 187 V N 0.570 120.417 119.914 -0.111 0.000 2.332 187 V HA -0.325 3.795 4.120 0.000 0.000 0.248 187 V C 2.260 178.230 176.094 -0.206 0.000 1.055 187 V CA 1.757 63.925 62.300 -0.220 0.000 1.038 187 V CB -0.839 30.717 31.823 -0.445 0.000 0.651 187 V HN 0.426 nan 8.190 nan 0.000 0.450 188 L N -0.058 121.074 121.223 -0.151 0.000 2.083 188 L HA -0.153 4.187 4.340 0.000 0.000 0.209 188 L C 2.736 179.556 176.870 -0.083 0.000 1.083 188 L CA 1.559 56.330 54.840 -0.114 0.000 0.752 188 L CB -0.854 41.147 42.059 -0.096 0.000 0.899 188 L HN 0.393 nan 8.230 nan 0.000 0.433 189 A N -0.027 122.742 122.820 -0.086 0.000 1.898 189 A HA -0.178 4.142 4.320 0.000 0.000 0.216 189 A C 2.309 179.909 177.584 0.026 0.000 1.181 189 A CA 1.119 53.128 52.037 -0.046 0.000 0.620 189 A CB -0.617 18.332 19.000 -0.086 0.000 0.819 189 A HN 0.356 nan 8.150 nan 0.000 0.442 190 L N -0.524 120.743 121.223 0.072 0.000 2.012 190 L HA -0.222 4.118 4.340 0.000 0.000 0.210 190 L C 2.793 179.683 176.870 0.033 0.000 1.073 190 L CA 2.264 57.170 54.840 0.110 0.000 0.748 190 L CB -0.430 41.685 42.059 0.092 0.000 0.891 190 L HN 0.559 nan 8.230 nan 0.000 0.431 191 R N -0.101 120.373 120.500 -0.044 0.000 2.081 191 R HA -0.173 4.167 4.340 0.000 0.000 0.235 191 R C 2.113 178.420 176.300 0.012 0.000 1.131 191 R CA 1.465 57.548 56.100 -0.029 0.000 0.960 191 R CB -0.277 29.982 30.300 -0.068 0.000 0.856 191 R HN 0.449 nan 8.270 nan 0.000 0.436 192 A N 0.407 123.230 122.820 0.005 0.000 2.070 192 A HA -0.121 4.199 4.320 0.000 0.000 0.220 192 A C 2.006 179.613 177.584 0.038 0.000 1.159 192 A CA 1.629 53.675 52.037 0.015 0.000 0.656 192 A CB -0.378 18.621 19.000 -0.001 0.000 0.800 192 A HN 0.593 nan 8.150 nan 0.000 0.453 193 S N -2.255 113.480 115.700 0.059 0.000 2.593 193 S HA 0.177 4.647 4.470 0.000 0.000 0.217 193 S C 0.627 175.290 174.600 0.105 0.000 0.966 193 S CA 0.663 58.911 58.200 0.081 0.000 0.914 193 S CB -0.293 62.968 63.200 0.101 0.000 0.776 193 S HN 0.435 nan 8.310 nan 0.000 0.523 194 T N 1.043 115.658 114.554 0.101 0.000 2.906 194 T HA 0.390 4.740 4.350 0.000 0.000 0.295 194 T C 0.766 175.486 174.700 0.034 0.000 1.061 194 T CA -0.593 61.565 62.100 0.096 0.000 1.000 194 T CB 1.252 70.205 68.868 0.143 0.000 1.103 194 T HN 0.417 nan 8.240 nan 0.000 0.486 195 H N 2.361 121.372 119.070 -0.098 0.000 2.470 195 H HA 0.163 4.719 4.556 0.000 0.000 0.289 195 H C 0.249 175.489 175.328 -0.146 0.000 1.033 195 H CA 0.031 55.980 56.048 -0.165 0.000 1.331 195 H CB -0.514 29.085 29.762 -0.272 0.000 1.414 195 H HN 0.379 nan 8.280 nan 0.000 0.545 196 F N 3.557 123.263 119.950 -0.406 0.000 2.539 196 F HA 0.097 4.624 4.527 0.000 0.000 0.340 196 F C 0.907 176.693 175.800 -0.024 0.000 1.185 196 F CA -0.235 57.665 58.000 -0.167 0.000 1.333 196 F CB 0.372 39.267 39.000 -0.175 0.000 1.152 196 F HN 0.193 nan 8.300 nan 0.000 0.602 197 D N -0.721 119.824 120.400 0.242 0.000 2.192 197 D HA 0.316 4.956 4.640 0.000 0.000 0.246 197 D C -0.506 175.906 176.300 0.187 0.000 1.042 197 D CA -0.761 53.337 54.000 0.163 0.000 0.847 197 D CB 1.338 42.211 40.800 0.122 0.000 1.186 197 D HN 0.495 nan 8.370 nan 0.000 0.461 198 T N 0.017 114.653 114.554 0.137 0.000 2.779 198 T HA 0.626 4.976 4.350 0.000 0.000 0.280 198 T C -0.131 174.649 174.700 0.133 0.000 0.987 198 T CA -0.989 61.216 62.100 0.175 0.000 0.966 198 T CB 0.966 69.850 68.868 0.027 0.000 0.933 198 T HN 0.398 nan 8.240 nan 0.000 0.442 199 R N 3.001 123.662 120.500 0.267 0.000 2.664 199 R HA 0.684 5.024 4.340 0.000 0.000 0.286 199 R C -0.468 176.034 176.300 0.336 0.000 0.967 199 R CA -0.958 55.267 56.100 0.208 0.000 0.933 199 R CB 1.877 32.276 30.300 0.165 0.000 1.146 199 R HN 0.628 nan 8.270 nan 0.000 0.468 200 I N 1.257 121.957 120.570 0.215 0.000 2.404 200 I HA 0.090 4.260 4.170 0.000 0.000 0.293 200 I C 1.321 177.537 176.117 0.165 0.000 0.992 200 I CA -0.252 61.204 61.300 0.260 0.000 1.149 200 I CB 2.174 40.259 38.000 0.141 0.000 1.315 200 I HN 0.814 nan 8.210 nan 0.000 0.446 201 S N 3.618 119.409 115.700 0.151 0.000 2.356 201 S HA 0.124 4.594 4.470 0.000 0.000 0.219 201 S C 0.396 175.038 174.600 0.070 0.000 1.036 201 S CA 0.448 58.695 58.200 0.079 0.000 0.965 201 S CB 0.166 63.389 63.200 0.039 0.000 0.864 201 S HN 0.646 nan 8.310 nan 0.000 0.471 202 D N -0.123 120.329 120.400 0.086 0.000 2.602 202 D HA 0.451 5.091 4.640 0.000 0.000 0.236 202 D C -1.307 175.052 176.300 0.099 0.000 1.209 202 D CA -0.513 53.534 54.000 0.078 0.000 0.831 202 D CB 2.064 42.902 40.800 0.064 0.000 1.478 202 D HN 0.211 nan 8.370 nan 0.000 0.438 203 I N 1.305 121.926 120.570 0.086 0.000 2.307 203 I HA 0.297 4.467 4.170 0.000 0.000 0.289 203 I C 0.058 176.232 176.117 0.095 0.000 1.021 203 I CA -0.146 61.206 61.300 0.088 0.000 1.224 203 I CB 1.376 39.415 38.000 0.064 0.000 1.376 203 I HN 0.045 nan 8.210 nan 0.000 0.470 204 S N 7.796 123.563 115.700 0.112 0.000 2.541 204 S HA 0.577 5.047 4.470 0.000 0.000 0.271 204 S C -2.474 172.184 174.600 0.096 0.000 1.133 204 S CA -1.084 57.206 58.200 0.151 0.000 0.876 204 S CB 2.277 65.613 63.200 0.227 0.000 1.105 204 S HN 0.384 nan 8.310 nan 0.000 0.470 205 P HA 0.307 nan 4.420 nan 0.000 0.262 205 P C -0.586 176.546 177.300 -0.281 0.000 1.304 205 P CA -0.078 62.910 63.100 -0.187 0.000 0.859 205 P CB -0.340 31.165 31.700 -0.325 0.000 1.310 206 F N 2.008 121.995 119.950 0.061 0.000 2.408 206 F HA 0.280 4.807 4.527 0.000 0.000 0.344 206 F C 1.293 177.145 175.800 0.088 0.000 1.112 206 F CA -0.786 57.256 58.000 0.069 0.000 1.096 206 F CB 0.499 39.518 39.000 0.032 0.000 1.129 206 F HN -0.118 nan 8.300 nan 0.000 0.486 207 N N 2.167 121.040 118.700 0.289 0.000 2.476 207 N HA 0.385 5.125 4.740 0.000 0.000 0.287 207 N C -1.458 174.184 175.510 0.220 0.000 1.262 207 N CA -0.870 52.314 53.050 0.223 0.000 0.980 207 N CB 0.627 39.223 38.487 0.182 0.000 1.163 207 N HN 0.467 nan 8.380 nan 0.000 0.592 208 K N -0.601 119.890 120.400 0.151 0.000 2.358 208 K HA 0.630 4.950 4.320 0.000 0.000 0.260 208 K C -1.082 175.594 176.600 0.127 0.000 0.956 208 K CA -0.847 55.507 56.287 0.111 0.000 0.834 208 K CB 1.883 34.420 32.500 0.061 0.000 1.102 208 K HN 0.696 nan 8.250 nan 0.000 0.431 209 A N 2.728 125.624 122.820 0.126 0.000 2.301 209 A HA 0.661 4.981 4.320 0.000 0.000 0.298 209 A C -0.144 177.598 177.584 0.263 0.000 1.185 209 A CA -0.485 51.664 52.037 0.187 0.000 0.830 209 A CB 0.408 19.479 19.000 0.117 0.000 1.112 209 A HN 0.563 nan 8.150 nan 0.000 0.508 210 V N -0.532 119.564 119.914 0.304 0.000 3.226 210 V HA 0.916 5.036 4.120 0.000 0.000 0.304 210 V C -0.304 175.805 176.094 0.024 0.000 1.336 210 V CA -0.235 62.221 62.300 0.260 0.000 1.066 210 V CB 1.476 33.370 31.823 0.118 0.000 1.087 210 V HN 1.261 nan 8.190 nan 0.000 0.451 211 T N 0.147 114.662 114.554 -0.066 0.000 2.823 211 T HA 0.834 5.184 4.350 0.000 0.000 0.279 211 T C -0.226 174.405 174.700 -0.114 0.000 0.998 211 T CA -0.156 61.809 62.100 -0.224 0.000 0.994 211 T CB 1.181 69.846 68.868 -0.337 0.000 0.960 211 T HN 2.061 nan 8.240 nan 0.000 0.448 212 V N -0.366 119.480 119.914 -0.113 0.000 3.019 212 V HA 0.858 4.979 4.120 0.000 0.000 0.317 212 V C -3.044 173.002 176.094 -0.080 0.000 1.094 212 V CA -3.275 58.980 62.300 -0.074 0.000 1.000 212 V CB 1.277 33.069 31.823 -0.050 0.000 1.060 212 V HN 0.683 nan 8.190 nan 0.000 0.443 213 P HA 0.364 nan 4.420 nan 0.000 0.272 213 P C -0.313 176.949 177.300 -0.062 0.000 1.223 213 P CA -0.156 62.909 63.100 -0.058 0.000 0.784 213 P CB 1.158 32.838 31.700 -0.034 0.000 0.923 214 K N 1.287 121.647 120.400 -0.067 0.000 2.642 214 K HA 0.104 4.424 4.320 0.000 0.000 0.214 214 K C -0.023 176.531 176.600 -0.075 0.000 1.451 214 K CA 0.175 56.422 56.287 -0.066 0.000 0.917 214 K CB 0.284 32.752 32.500 -0.054 0.000 1.779 214 K HN 0.604 nan 8.250 nan 0.000 0.447 215 N N -1.668 117.000 118.700 -0.054 0.000 3.204 215 N HA 0.184 4.924 4.740 0.000 0.000 0.285 215 N C -0.153 175.353 175.510 -0.006 0.000 1.536 215 N CA -0.487 52.541 53.050 -0.037 0.000 0.832 215 N CB 1.185 39.661 38.487 -0.018 0.000 1.645 215 N HN -0.124 nan 8.380 nan 0.000 0.586 216 S N -0.754 114.973 115.700 0.044 0.000 2.447 216 S HA -0.038 4.433 4.470 0.000 0.000 0.233 216 S C 1.054 175.697 174.600 0.071 0.000 1.006 216 S CA 0.835 59.097 58.200 0.104 0.000 0.957 216 S CB -0.335 63.023 63.200 0.264 0.000 0.773 216 S HN 0.497 nan 8.310 nan 0.000 0.507 217 K N 0.183 120.606 120.400 0.038 0.000 2.211 217 K HA 0.128 4.448 4.320 0.000 0.000 0.201 217 K C 0.726 177.329 176.600 0.005 0.000 1.052 217 K CA 0.689 56.989 56.287 0.021 0.000 0.973 217 K CB 0.292 32.802 32.500 0.018 0.000 0.766 217 K HN 0.227 nan 8.250 nan 0.000 0.466 218 T N 0.389 114.937 114.554 -0.010 0.000 2.957 218 T HA 0.141 4.491 4.350 0.000 0.000 0.336 218 T C -1.736 172.926 174.700 -0.062 0.000 1.462 218 T CA -0.942 61.137 62.100 -0.035 0.000 1.073 218 T CB 1.479 70.331 68.868 -0.027 0.000 1.319 218 T HN -0.138 nan 8.240 nan 0.000 0.485 219 D N 1.474 121.811 120.400 -0.106 0.000 2.414 219 D HA 0.400 5.040 4.640 0.000 0.000 0.259 219 D C 0.225 176.438 176.300 -0.144 0.000 1.269 219 D CA -0.342 53.576 54.000 -0.137 0.000 1.028 219 D CB 0.459 41.138 40.800 -0.202 0.000 1.093 219 D HN 0.504 nan 8.370 nan 0.000 0.545 220 R N -0.443 119.965 120.500 -0.154 0.000 2.534 220 R HA 0.452 4.792 4.340 0.000 0.000 0.301 220 R C -1.286 174.898 176.300 -0.192 0.000 0.961 220 R CA -0.588 55.435 56.100 -0.127 0.000 0.871 220 R CB 0.791 31.049 30.300 -0.070 0.000 1.170 220 R HN 0.396 nan 8.270 nan 0.000 0.446 221 C N 6.080 125.270 119.300 -0.183 0.000 2.452 221 C HA 0.573 5.033 4.460 0.000 0.000 0.379 221 C C 0.439 175.416 174.990 -0.023 0.000 1.275 221 C CA -0.469 58.423 59.018 -0.210 0.000 2.056 221 C CB -0.606 27.043 27.740 -0.151 0.000 2.506 221 C HN 0.804 nan 8.230 nan 0.000 0.560 222 I N 0.116 120.689 120.570 0.004 0.000 3.279 222 I HA 0.953 5.123 4.170 0.000 0.000 0.315 222 I C -0.604 175.568 176.117 0.091 0.000 1.187 222 I CA -0.842 60.486 61.300 0.047 0.000 0.953 222 I CB 1.974 39.980 38.000 0.010 0.000 1.279 222 I HN 0.589 nan 8.210 nan 0.000 0.465 223 A N 2.715 125.575 122.820 0.067 0.000 2.374 223 A HA 0.853 5.173 4.320 0.000 0.000 0.317 223 A C -0.987 176.623 177.584 0.043 0.000 1.094 223 A CA -0.649 51.437 52.037 0.081 0.000 0.765 223 A CB 1.353 20.391 19.000 0.063 0.000 1.268 223 A HN 0.663 nan 8.150 nan 0.000 0.438 224 I N 2.390 122.993 120.570 0.055 0.000 2.330 224 I HA 0.255 4.425 4.170 0.000 0.000 0.289 224 I C -0.123 176.018 176.117 0.040 0.000 1.001 224 I CA -0.398 60.921 61.300 0.032 0.000 1.193 224 I CB 1.393 39.410 38.000 0.028 0.000 1.345 224 I HN 0.629 nan 8.210 nan 0.000 0.461 225 E N 7.362 127.575 120.200 0.022 0.000 2.314 225 E HA 0.342 4.692 4.350 0.000 0.000 0.262 225 E C -2.357 174.268 176.600 0.040 0.000 1.093 225 E CA -1.917 54.502 56.400 0.032 0.000 0.908 225 E CB 0.466 30.171 29.700 0.007 0.000 1.091 225 E HN 0.213 nan 8.360 nan 0.000 0.425 226 P HA 0.000 nan 4.420 nan 0.000 0.268 226 P C 0.930 178.271 177.300 0.069 0.000 1.204 226 P CA 0.244 63.388 63.100 0.073 0.000 0.768 226 P CB 0.479 32.251 31.700 0.119 0.000 0.842 227 G N 1.474 110.268 108.800 -0.010 0.000 2.469 227 G HA2 -0.251 3.709 3.960 0.000 0.000 0.219 227 G HA3 -0.251 3.709 3.960 0.000 0.000 0.219 227 G C 1.033 175.988 174.900 0.093 0.000 1.150 227 G CA 0.321 45.388 45.100 -0.056 0.000 0.763 227 G HN 0.496 nan 8.290 nan 0.000 0.561 228 W N 0.924 122.345 121.300 0.201 0.000 2.418 228 W HA 0.042 4.702 4.660 0.000 0.000 0.292 228 W C 2.692 179.381 176.519 0.283 0.000 1.213 228 W CA 0.404 57.866 57.345 0.195 0.000 1.283 228 W CB -0.095 29.469 29.460 0.173 0.000 1.119 228 W HN 0.133 nan 8.180 nan 0.000 0.542 229 N N 0.440 119.396 118.700 0.426 0.000 2.061 229 N HA -0.247 4.493 4.740 0.000 0.000 0.193 229 N C 1.648 177.294 175.510 0.228 0.000 1.030 229 N CA 2.061 55.285 53.050 0.290 0.000 0.856 229 N CB -0.577 38.002 38.487 0.153 0.000 1.023 229 N HN 0.133 nan 8.380 nan 0.000 0.424 230 M N 0.950 120.646 119.600 0.160 0.000 2.080 230 M HA -0.140 4.340 4.480 0.000 0.000 0.260 230 M C 1.889 178.230 176.300 0.068 0.000 1.068 230 M CA 1.340 56.691 55.300 0.084 0.000 1.109 230 M CB -0.985 31.657 32.600 0.071 0.000 1.342 230 M HN 0.132 nan 8.290 nan 0.000 0.405 231 F N -0.019 119.843 119.950 -0.147 0.000 2.087 231 F HA -0.288 4.239 4.527 0.000 0.000 0.299 231 F C 1.495 177.061 175.800 -0.391 0.000 1.100 231 F CA 2.128 59.839 58.000 -0.481 0.000 1.226 231 F CB -0.465 38.024 39.000 -0.852 0.000 0.983 231 F HN 0.225 nan 8.300 nan 0.000 0.479 232 F N 0.065 120.124 119.950 0.181 0.000 2.270 232 F HA -0.080 4.447 4.527 0.000 0.000 0.295 232 F C 2.444 178.261 175.800 0.029 0.000 1.087 232 F CA 0.985 59.030 58.000 0.075 0.000 1.365 232 F CB -0.819 38.212 39.000 0.052 0.000 1.056 232 F HN -0.070 nan 8.300 nan 0.000 0.506 233 Q N 0.531 120.447 119.800 0.194 0.000 2.096 233 Q HA -0.215 4.125 4.340 0.000 0.000 0.204 233 Q C 2.223 178.311 176.000 0.146 0.000 0.982 233 Q CA 1.682 57.596 55.803 0.186 0.000 0.850 233 Q CB -0.476 28.241 28.738 -0.035 0.000 0.901 233 Q HN 0.462 nan 8.270 nan 0.000 0.422 234 L N -0.095 121.143 121.223 0.025 0.000 2.131 234 L HA -0.139 4.201 4.340 0.000 0.000 0.210 234 L C 2.355 179.236 176.870 0.019 0.000 1.092 234 L CA 0.964 55.803 54.840 -0.002 0.000 0.759 234 L CB -0.784 41.228 42.059 -0.078 0.000 0.903 234 L HN 0.355 nan 8.230 nan 0.000 0.435 235 G N 0.579 109.382 108.800 0.005 0.000 2.433 235 G HA2 -0.228 3.732 3.960 0.000 0.000 0.216 235 G HA3 -0.228 3.732 3.960 0.000 0.000 0.216 235 G C 1.502 176.468 174.900 0.110 0.000 1.186 235 G CA 0.587 45.733 45.100 0.077 0.000 0.779 235 G HN 0.142 nan 8.290 nan 0.000 0.543 236 I N 1.996 122.652 120.570 0.144 0.000 2.118 236 I HA -0.169 4.001 4.170 0.000 0.000 0.241 236 I C 3.094 179.302 176.117 0.151 0.000 1.070 236 I CA 1.618 63.022 61.300 0.173 0.000 1.327 236 I CB -1.703 36.422 38.000 0.208 0.000 1.034 236 I HN 0.248 nan 8.210 nan 0.000 0.405 237 G N 0.823 109.717 108.800 0.157 0.000 2.491 237 G HA2 -0.244 3.716 3.960 0.000 0.000 0.218 237 G HA3 -0.244 3.716 3.960 0.000 0.000 0.218 237 G C 1.763 176.645 174.900 -0.030 0.000 1.180 237 G CA 1.118 46.280 45.100 0.103 0.000 0.774 237 G HN 0.497 nan 8.290 nan 0.000 0.562 238 G N 0.847 109.569 108.800 -0.130 0.000 2.440 238 G HA2 -0.196 3.764 3.960 0.000 0.000 0.218 238 G HA3 -0.196 3.764 3.960 0.000 0.000 0.218 238 G C 1.797 176.235 174.900 -0.770 0.000 1.154 238 G CA 0.920 45.705 45.100 -0.525 0.000 0.767 238 G HN 0.467 nan 8.290 nan 0.000 0.552 239 I N -0.175 120.162 120.570 -0.388 0.000 2.252 239 I HA -0.086 4.084 4.170 0.000 0.000 0.245 239 I C 2.551 178.635 176.117 -0.055 0.000 1.102 239 I CA 0.263 61.493 61.300 -0.117 0.000 1.385 239 I CB -0.192 37.906 38.000 0.162 0.000 1.064 239 I HN 0.065 nan 8.210 nan 0.000 0.414 240 L N 0.704 121.904 121.223 -0.038 0.000 2.042 240 L HA -0.211 4.129 4.340 0.000 0.000 0.210 240 L C 2.598 179.382 176.870 -0.143 0.000 1.076 240 L CA 1.729 56.493 54.840 -0.126 0.000 0.749 240 L CB -1.124 40.860 42.059 -0.124 0.000 0.893 240 L HN 0.174 nan 8.230 nan 0.000 0.432 241 R N -0.552 119.878 120.500 -0.116 0.000 2.083 241 R HA -0.185 4.155 4.340 0.000 0.000 0.237 241 R C 1.945 178.206 176.300 -0.064 0.000 1.137 241 R CA 1.731 57.785 56.100 -0.076 0.000 0.951 241 R CB -0.113 30.162 30.300 -0.042 0.000 0.851 241 R HN 0.333 nan 8.270 nan 0.000 0.434 242 D N -0.169 120.184 120.400 -0.078 0.000 2.092 242 D HA -0.157 4.483 4.640 0.000 0.000 0.193 242 D C 2.045 178.317 176.300 -0.047 0.000 0.994 242 D CA 1.094 55.082 54.000 -0.021 0.000 0.828 242 D CB -0.112 40.706 40.800 0.030 0.000 0.963 242 D HN 0.103 nan 8.370 nan 0.000 0.450 243 R N 0.282 120.725 120.500 -0.096 0.000 2.096 243 R HA -0.026 4.314 4.340 0.000 0.000 0.235 243 R C 2.550 178.698 176.300 -0.253 0.000 1.127 243 R CA 0.300 56.297 56.100 -0.171 0.000 0.968 243 R CB -1.030 29.133 30.300 -0.229 0.000 0.861 243 R HN 0.324 nan 8.270 nan 0.000 0.440 244 L N 0.457 121.540 121.223 -0.233 0.000 2.261 244 L HA -0.128 4.212 4.340 0.000 0.000 0.216 244 L C 2.526 179.361 176.870 -0.058 0.000 1.114 244 L CA 1.048 55.764 54.840 -0.207 0.000 0.777 244 L CB -0.293 41.690 42.059 -0.126 0.000 0.910 244 L HN 0.136 nan 8.230 nan 0.000 0.440 245 R N -0.982 119.500 120.500 -0.031 0.000 2.159 245 R HA -0.166 4.174 4.340 0.000 0.000 0.237 245 R C 2.194 178.524 176.300 0.050 0.000 1.131 245 R CA 1.466 57.584 56.100 0.030 0.000 0.982 245 R CB -0.602 29.717 30.300 0.031 0.000 0.868 245 R HN 0.432 nan 8.270 nan 0.000 0.453 246 C N -1.036 118.265 119.300 0.001 0.000 2.449 246 C HA -0.044 4.416 4.460 0.000 0.000 0.283 246 C C 1.038 176.175 174.990 0.245 0.000 1.453 246 C CA -0.140 58.912 59.018 0.057 0.000 1.779 246 C CB -0.887 26.840 27.740 -0.022 0.000 1.779 246 C HN 0.574 nan 8.230 nan 0.000 0.546 247 W N 0.210 121.512 121.300 0.003 0.000 3.102 247 W HA 0.387 5.047 4.660 -0.000 0.000 0.401 247 W C 1.479 178.006 176.519 0.013 0.000 1.070 247 W CA -0.102 57.245 57.345 0.004 0.000 1.921 247 W CB -1.107 28.351 29.460 -0.004 0.000 1.118 247 W HN 0.409 nan 8.180 nan 0.000 0.647 248 G N 1.395 110.324 108.800 0.216 0.000 2.179 248 G HA2 -0.320 3.640 3.960 0.000 0.000 0.257 248 G HA3 -0.320 3.640 3.960 0.000 0.000 0.257 248 G C -0.016 174.965 174.900 0.136 0.000 1.010 248 G CA -0.035 45.148 45.100 0.139 0.000 0.736 248 G HN 0.236 nan 8.290 nan 0.000 0.513 249 I N 0.794 121.456 120.570 0.154 0.000 2.355 249 I HA 0.325 4.495 4.170 0.000 0.000 0.288 249 I C -0.740 175.447 176.117 0.116 0.000 0.999 249 I CA -0.706 60.679 61.300 0.141 0.000 1.163 249 I CB 1.669 39.763 38.000 0.157 0.000 1.316 249 I HN 0.003 nan 8.210 nan 0.000 0.454 250 D N 7.294 127.777 120.400 0.139 0.000 2.472 250 D HA 0.263 4.903 4.640 0.000 0.000 0.234 250 D C 0.666 177.101 176.300 0.226 0.000 1.088 250 D CA -0.329 53.758 54.000 0.144 0.000 0.882 250 D CB 1.184 42.059 40.800 0.126 0.000 1.037 250 D HN 0.435 nan 8.370 nan 0.000 0.520 251 L N 2.701 124.047 121.223 0.205 0.000 2.622 251 L HA 0.014 4.355 4.340 0.000 0.000 0.233 251 L C 1.209 178.328 176.870 0.415 0.000 1.156 251 L CA 0.277 55.295 54.840 0.298 0.000 0.866 251 L CB -0.140 42.003 42.059 0.139 0.000 0.980 251 L HN 0.278 nan 8.230 nan 0.000 0.448 252 N N -0.766 118.110 118.700 0.294 0.000 2.299 252 N HA -0.006 4.734 4.740 0.000 0.000 0.187 252 N C -0.017 175.626 175.510 0.223 0.000 1.099 252 N CA 0.410 53.607 53.050 0.244 0.000 0.867 252 N CB 0.434 39.016 38.487 0.158 0.000 0.974 252 N HN 0.148 nan 8.380 nan 0.000 0.477 253 D N 0.487 121.025 120.400 0.230 0.000 2.420 253 D HA 0.185 4.825 4.640 0.000 0.000 0.255 253 D C 0.446 176.766 176.300 0.033 0.000 1.185 253 D CA -0.239 53.832 54.000 0.118 0.000 0.904 253 D CB 0.903 41.760 40.800 0.096 0.000 1.102 253 D HN -0.125 nan 8.370 nan 0.000 0.534 254 Q N 0.880 120.606 119.800 -0.123 0.000 2.436 254 Q HA -0.052 4.288 4.340 0.000 0.000 0.209 254 Q C 1.577 177.484 176.000 -0.156 0.000 0.965 254 Q CA 1.141 56.721 55.803 -0.371 0.000 0.910 254 Q CB 0.325 28.803 28.738 -0.434 0.000 0.980 254 Q HN 0.608 nan 8.270 nan 0.000 0.491 255 T N -2.019 112.502 114.554 -0.055 0.000 3.023 255 T HA -0.012 4.338 4.350 0.000 0.000 0.266 255 T C 1.759 176.458 174.700 -0.003 0.000 1.093 255 T CA 0.293 62.383 62.100 -0.016 0.000 1.129 255 T CB -0.136 68.734 68.868 0.002 0.000 0.899 255 T HN 0.134 nan 8.240 nan 0.000 0.491 256 I N 2.079 122.651 120.570 0.005 0.000 2.127 256 I HA -0.197 3.973 4.170 0.000 0.000 0.241 256 I C 2.815 178.944 176.117 0.020 0.000 1.075 256 I CA 1.573 62.886 61.300 0.022 0.000 1.334 256 I CB -0.469 37.561 38.000 0.049 0.000 1.040 256 I HN 0.362 nan 8.210 nan 0.000 0.405 257 N N -0.071 118.639 118.700 0.016 0.000 2.244 257 N HA -0.202 4.538 4.740 0.000 0.000 0.183 257 N C 1.870 177.401 175.510 0.034 0.000 1.016 257 N CA 0.970 54.037 53.050 0.028 0.000 0.866 257 N CB 0.015 38.523 38.487 0.035 0.000 0.980 257 N HN 0.466 nan 8.380 nan 0.000 0.430 258 Q N 0.673 120.495 119.800 0.035 0.000 2.020 258 Q HA -0.087 4.253 4.340 0.000 0.000 0.202 258 Q C 2.050 178.105 176.000 0.093 0.000 0.982 258 Q CA 1.191 57.064 55.803 0.116 0.000 0.838 258 Q CB -0.034 28.775 28.738 0.119 0.000 0.899 258 Q HN 0.300 nan 8.270 nan 0.000 0.423 259 R N 0.305 120.812 120.500 0.012 0.000 2.091 259 R HA -0.078 4.262 4.340 0.000 0.000 0.238 259 R C 2.274 178.548 176.300 -0.044 0.000 1.136 259 R CA 1.057 57.125 56.100 -0.054 0.000 0.959 259 R CB -0.185 30.088 30.300 -0.045 0.000 0.856 259 R HN 0.201 nan 8.270 nan 0.000 0.437 260 R N 0.266 120.755 120.500 -0.018 0.000 2.115 260 R HA -0.017 4.323 4.340 0.000 0.000 0.230 260 R C 2.236 178.506 176.300 -0.050 0.000 1.111 260 R CA 1.152 57.236 56.100 -0.025 0.000 0.976 260 R CB -0.325 29.973 30.300 -0.004 0.000 0.870 260 R HN 0.209 nan 8.270 nan 0.000 0.445 261 A N 0.753 123.557 122.820 -0.028 0.000 1.902 261 A HA -0.234 4.087 4.320 0.000 0.000 0.217 261 A C 2.008 179.499 177.584 -0.154 0.000 1.181 261 A CA 1.821 53.839 52.037 -0.031 0.000 0.623 261 A CB -0.713 18.340 19.000 0.088 0.000 0.818 261 A HN 0.474 nan 8.150 nan 0.000 0.443 262 H N -0.293 118.471 119.070 -0.510 0.000 2.321 262 H HA -0.136 4.420 4.556 0.000 0.000 0.300 262 H C 2.011 177.090 175.328 -0.414 0.000 1.087 262 H CA 2.030 57.542 56.048 -0.894 0.000 1.319 262 H CB -0.205 28.809 29.762 -1.245 0.000 1.379 262 H HN 0.596 nan 8.280 nan 0.000 0.501 263 E N -0.267 119.766 120.200 -0.279 0.000 2.058 263 E HA -0.170 4.180 4.350 0.000 0.000 0.194 263 E C 2.476 178.937 176.600 -0.232 0.000 0.997 263 E CA 1.196 57.462 56.400 -0.223 0.000 0.801 263 E CB -0.597 29.051 29.700 -0.087 0.000 0.746 263 E HN 0.675 nan 8.360 nan 0.000 0.450 264 G N 0.362 109.051 108.800 -0.185 0.000 2.450 264 G HA2 -0.319 3.641 3.960 0.000 0.000 0.220 264 G HA3 -0.319 3.641 3.960 0.000 0.000 0.220 264 G C 1.699 176.479 174.900 -0.200 0.000 1.130 264 G CA 1.247 46.254 45.100 -0.156 0.000 0.760 264 G HN 0.453 nan 8.290 nan 0.000 0.557 265 S N -0.304 115.234 115.700 -0.271 0.000 2.453 265 S HA 0.051 4.521 4.470 0.000 0.000 0.231 265 S C 2.118 176.542 174.600 -0.294 0.000 1.005 265 S CA 1.129 59.157 58.200 -0.287 0.000 0.949 265 S CB 0.089 63.120 63.200 -0.282 0.000 0.774 265 S HN 0.104 nan 8.310 nan 0.000 0.510 266 V N 2.389 122.107 119.914 -0.326 0.000 2.426 266 V HA -0.023 4.097 4.120 0.000 0.000 0.242 266 V C 3.063 179.048 176.094 -0.182 0.000 1.036 266 V CA 1.793 63.934 62.300 -0.266 0.000 1.044 266 V CB -0.930 30.708 31.823 -0.308 0.000 0.688 266 V HN 0.810 nan 8.190 nan 0.000 0.462 267 T N -3.730 110.726 114.554 -0.163 0.000 3.054 267 T HA -0.029 4.321 4.350 0.000 0.000 0.259 267 T C 1.231 175.870 174.700 -0.101 0.000 1.092 267 T CA 0.677 62.708 62.100 -0.115 0.000 1.121 267 T CB -0.259 68.552 68.868 -0.095 0.000 0.912 267 T HN 0.370 nan 8.240 nan 0.000 0.489 268 N N 1.517 120.149 118.700 -0.114 0.000 2.732 268 N HA -0.196 4.544 4.740 0.000 0.000 0.250 268 N C 0.129 175.597 175.510 -0.069 0.000 1.097 268 N CA 1.169 54.164 53.050 -0.091 0.000 0.812 268 N CB -1.742 36.695 38.487 -0.084 0.000 1.148 268 N HN 0.737 nan 8.380 nan 0.000 0.572 269 N N -0.446 118.213 118.700 -0.069 0.000 2.373 269 N HA 0.174 4.914 4.740 0.000 0.000 0.181 269 N C 0.054 175.533 175.510 -0.051 0.000 1.082 269 N CA 0.245 53.261 53.050 -0.056 0.000 0.885 269 N CB 0.463 38.918 38.487 -0.053 0.000 0.977 269 N HN 0.183 nan 8.380 nan 0.000 0.462 270 L N 0.753 121.942 121.223 -0.055 0.000 2.334 270 L HA 0.678 5.018 4.340 0.000 0.000 0.276 270 L C -0.528 176.320 176.870 -0.036 0.000 1.014 270 L CA -0.969 53.843 54.840 -0.045 0.000 0.815 270 L CB 1.760 43.791 42.059 -0.047 0.000 1.268 270 L HN -0.079 nan 8.230 nan 0.000 0.428 271 A N 1.046 123.853 122.820 -0.022 0.000 2.325 271 A HA 0.739 5.059 4.320 0.000 0.000 0.333 271 A C -0.144 177.452 177.584 0.020 0.000 1.155 271 A CA -0.482 51.556 52.037 0.001 0.000 0.814 271 A CB 1.246 20.239 19.000 -0.011 0.000 1.206 271 A HN 0.671 nan 8.150 nan 0.000 0.482 272 T N -0.477 114.118 114.554 0.067 0.000 2.771 272 T HA 0.592 4.942 4.350 0.000 0.000 0.281 272 T C -0.611 174.149 174.700 0.100 0.000 0.982 272 T CA -0.564 61.588 62.100 0.088 0.000 0.978 272 T CB 0.843 69.773 68.868 0.104 0.000 0.930 272 T HN 0.494 nan 8.240 nan 0.000 0.447 273 V N 3.429 123.375 119.914 0.054 0.000 2.378 273 V HA 0.403 4.523 4.120 0.000 0.000 0.288 273 V C -0.277 175.831 176.094 0.023 0.000 1.016 273 V CA -0.779 61.533 62.300 0.021 0.000 0.840 273 V CB 1.321 33.141 31.823 -0.005 0.000 0.994 273 V HN 1.030 nan 8.190 nan 0.000 0.431 274 D N 4.440 124.855 120.400 0.025 0.000 2.232 274 D HA 0.428 5.068 4.640 0.000 0.000 0.242 274 D C -0.485 175.799 176.300 -0.028 0.000 1.093 274 D CA -0.193 53.821 54.000 0.022 0.000 0.845 274 D CB 1.120 41.965 40.800 0.075 0.000 1.124 274 D HN 0.423 nan 8.370 nan 0.000 0.467 275 L N 3.467 124.633 121.223 -0.095 0.000 2.261 275 L HA 0.203 4.543 4.340 0.000 0.000 0.289 275 L C 0.655 177.481 176.870 -0.074 0.000 1.059 275 L CA -0.686 54.061 54.840 -0.156 0.000 0.816 275 L CB 1.288 43.080 42.059 -0.445 0.000 1.191 275 L HN 0.435 nan 8.230 nan 0.000 0.431 276 S N 4.341 120.024 115.700 -0.027 0.000 3.007 276 S HA 0.069 4.539 4.470 0.000 0.000 0.312 276 S C 1.254 175.861 174.600 0.011 0.000 1.068 276 S CA 0.219 58.423 58.200 0.007 0.000 1.597 276 S CB -0.683 62.530 63.200 0.023 0.000 1.495 276 S HN 0.861 nan 8.310 nan 0.000 0.612 277 A N 2.843 125.672 122.820 0.015 0.000 2.550 277 A HA -0.222 4.098 4.320 0.000 0.000 0.298 277 A C 1.314 178.914 177.584 0.027 0.000 1.485 277 A CA 0.916 52.971 52.037 0.030 0.000 0.780 277 A CB -2.010 17.016 19.000 0.042 0.000 1.045 277 A HN 1.662 nan 8.150 nan 0.000 0.423 278 A N 0.092 122.904 122.820 -0.012 0.000 2.276 278 A HA 0.372 4.692 4.320 0.000 0.000 0.212 278 A C 1.810 179.401 177.584 0.012 0.000 1.230 278 A CA 1.165 53.190 52.037 -0.021 0.000 0.844 278 A CB -0.732 18.148 19.000 -0.200 0.000 0.860 278 A HN 1.861 nan 8.150 nan 0.000 0.486 279 S N -0.819 114.908 115.700 0.046 0.000 2.660 279 S HA 0.003 4.474 4.470 0.000 0.000 0.228 279 S C 0.251 174.879 174.600 0.048 0.000 0.966 279 S CA 0.746 58.976 58.200 0.051 0.000 0.940 279 S CB -0.027 63.217 63.200 0.074 0.000 0.773 279 S HN 0.439 nan 8.310 nan 0.000 0.535 280 D N 0.243 120.679 120.400 0.058 0.000 2.527 280 D HA 0.271 4.911 4.640 0.000 0.000 0.224 280 D C 0.290 176.628 176.300 0.063 0.000 1.217 280 D CA 0.050 54.085 54.000 0.058 0.000 0.819 280 D CB 0.743 41.586 40.800 0.071 0.000 1.061 280 D HN 0.315 nan 8.370 nan 0.000 0.515 281 S N -0.109 115.657 115.700 0.110 0.000 2.629 281 S HA 0.290 4.760 4.470 0.000 0.000 0.236 281 S C 0.867 175.630 174.600 0.271 0.000 1.010 281 S CA -0.329 57.975 58.200 0.174 0.000 0.981 281 S CB 1.090 64.435 63.200 0.241 0.000 0.919 281 S HN 0.182 nan 8.310 nan 0.000 0.514 282 I N 4.200 124.905 120.570 0.226 0.000 2.372 282 I HA 0.084 4.254 4.170 0.000 0.000 0.298 282 I C 0.672 176.855 176.117 0.109 0.000 1.137 282 I CA -0.117 61.316 61.300 0.222 0.000 1.314 282 I CB -0.074 37.983 38.000 0.095 0.000 1.444 282 I HN 0.216 nan 8.210 nan 0.000 0.541 283 S N 5.707 121.444 115.700 0.061 0.000 2.580 283 S HA 0.191 4.661 4.470 0.000 0.000 0.274 283 S C 1.144 175.771 174.600 0.046 0.000 1.329 283 S CA -0.816 57.396 58.200 0.021 0.000 1.036 283 S CB 1.847 65.008 63.200 -0.065 0.000 0.919 283 S HN 0.425 nan 8.310 nan 0.000 0.515 284 L N 2.156 123.439 121.223 0.099 0.000 2.051 284 L HA -0.133 4.207 4.340 0.000 0.000 0.214 284 L C 2.883 179.831 176.870 0.130 0.000 1.076 284 L CA 2.326 57.292 54.840 0.210 0.000 0.758 284 L CB -2.119 40.102 42.059 0.270 0.000 0.890 284 L HN 1.004 nan 8.230 nan 0.000 0.433 285 A N -1.109 121.642 122.820 -0.114 0.000 1.877 285 A HA -0.210 4.110 4.320 0.000 0.000 0.216 285 A C 2.275 179.664 177.584 -0.325 0.000 1.186 285 A CA 1.723 53.456 52.037 -0.506 0.000 0.620 285 A CB -0.866 17.570 19.000 -0.942 0.000 0.822 285 A HN 0.355 nan 8.150 nan 0.000 0.443 286 L N 0.004 121.095 121.223 -0.221 0.000 2.042 286 L HA -0.195 4.145 4.340 0.000 0.000 0.210 286 L C 2.446 179.263 176.870 -0.089 0.000 1.076 286 L CA 2.201 56.945 54.840 -0.160 0.000 0.749 286 L CB -0.847 41.122 42.059 -0.149 0.000 0.893 286 L HN 0.501 nan 8.230 nan 0.000 0.432 287 C N -0.723 118.571 119.300 -0.010 0.000 2.446 287 C HA -0.129 4.331 4.460 0.000 0.000 0.277 287 C C 2.662 177.610 174.990 -0.070 0.000 1.275 287 C CA 0.882 59.940 59.018 0.067 0.000 1.727 287 C CB -0.923 26.978 27.740 0.269 0.000 2.010 287 C HN 0.652 nan 8.230 nan 0.000 0.486 288 E N 0.645 120.625 120.200 -0.366 0.000 2.106 288 E HA -0.143 4.207 4.350 0.000 0.000 0.192 288 E C 2.007 178.371 176.600 -0.393 0.000 0.984 288 E CA 0.877 56.718 56.400 -0.932 0.000 0.806 288 E CB -0.082 29.003 29.700 -1.024 0.000 0.750 288 E HN 0.617 nan 8.360 nan 0.000 0.458 289 L N 0.248 121.336 121.223 -0.224 0.000 2.109 289 L HA -0.127 4.213 4.340 0.000 0.000 0.207 289 L C 2.314 179.143 176.870 -0.068 0.000 1.086 289 L CA 0.690 55.458 54.840 -0.119 0.000 0.760 289 L CB -0.125 41.867 42.059 -0.112 0.000 0.910 289 L HN 0.252 nan 8.230 nan 0.000 0.437 290 L N -0.935 120.250 121.223 -0.063 0.000 2.298 290 L HA 0.078 4.418 4.340 0.000 0.000 0.209 290 L C 0.734 177.593 176.870 -0.020 0.000 1.084 290 L CA 0.090 54.917 54.840 -0.023 0.000 0.816 290 L CB 0.210 42.261 42.059 -0.013 0.000 0.967 290 L HN 0.126 nan 8.230 nan 0.000 0.460 291 L N 0.121 121.333 121.223 -0.019 0.000 2.343 291 L HA 0.347 4.687 4.340 0.000 0.000 0.275 291 L C -2.147 174.764 176.870 0.068 0.000 1.056 291 L CA -2.090 52.761 54.840 0.017 0.000 0.804 291 L CB 0.674 42.804 42.059 0.118 0.000 1.203 291 L HN -0.228 nan 8.230 nan 0.000 0.440 292 P HA 0.094 nan 4.420 nan 0.000 0.269 292 P C -2.162 175.281 177.300 0.238 0.000 1.209 292 P CA -1.092 62.110 63.100 0.170 0.000 0.776 292 P CB 0.117 31.965 31.700 0.246 0.000 0.876 293 P HA -0.184 nan 4.420 nan 0.000 0.216 293 P C 1.580 179.016 177.300 0.226 0.000 1.150 293 P CA 1.951 65.174 63.100 0.204 0.000 0.843 293 P CB -0.395 31.384 31.700 0.132 0.000 0.787 294 G N -1.636 107.269 108.800 0.175 0.000 2.440 294 G HA2 -0.241 3.719 3.960 0.000 0.000 0.218 294 G HA3 -0.241 3.719 3.960 0.000 0.000 0.218 294 G C 1.273 176.214 174.900 0.068 0.000 1.154 294 G CA 0.547 45.702 45.100 0.092 0.000 0.767 294 G HN 0.243 nan 8.290 nan 0.000 0.552 295 W N -0.297 121.042 121.300 0.065 0.000 2.379 295 W HA 0.135 4.795 4.660 -0.000 0.000 0.307 295 W C 2.219 178.768 176.519 0.050 0.000 1.200 295 W CA 0.565 57.929 57.345 0.033 0.000 1.297 295 W CB -0.615 28.852 29.460 0.012 0.000 1.140 295 W HN 0.145 nan 8.180 nan 0.000 0.507 296 F N 1.726 121.801 119.950 0.208 0.000 2.095 296 F HA -0.253 4.274 4.527 0.000 0.000 0.298 296 F C 2.331 178.178 175.800 0.080 0.000 1.104 296 F CA 1.990 60.060 58.000 0.117 0.000 1.232 296 F CB -0.632 38.429 39.000 0.102 0.000 0.987 296 F HN -0.218 nan 8.300 nan 0.000 0.475 297 E N 0.172 120.412 120.200 0.066 0.000 2.097 297 E HA -0.198 4.152 4.350 0.000 0.000 0.196 297 E C 2.486 179.039 176.600 -0.078 0.000 1.000 297 E CA 1.691 58.069 56.400 -0.037 0.000 0.804 297 E CB -0.815 28.917 29.700 0.054 0.000 0.740 297 E HN 0.365 nan 8.360 nan 0.000 0.454 298 V N 1.024 120.909 119.914 -0.048 0.000 2.379 298 V HA -0.219 3.901 4.120 0.000 0.000 0.245 298 V C 2.420 178.448 176.094 -0.110 0.000 1.044 298 V CA 0.999 63.266 62.300 -0.054 0.000 1.036 298 V CB -0.396 31.369 31.823 -0.097 0.000 0.664 298 V HN 0.161 nan 8.190 nan 0.000 0.453 299 L N -0.797 120.343 121.223 -0.139 0.000 2.079 299 L HA -0.174 4.166 4.340 0.000 0.000 0.210 299 L C 2.361 179.177 176.870 -0.091 0.000 1.081 299 L CA 1.962 56.700 54.840 -0.170 0.000 0.752 299 L CB -0.844 41.066 42.059 -0.249 0.000 0.896 299 L HN 0.255 nan 8.230 nan 0.000 0.433 300 M N -1.389 118.055 119.600 -0.260 0.000 2.200 300 M HA -0.139 4.341 4.480 0.000 0.000 0.265 300 M C 1.766 177.999 176.300 -0.111 0.000 1.066 300 M CA 1.119 56.271 55.300 -0.247 0.000 1.127 300 M CB -0.946 31.399 32.600 -0.425 0.000 1.379 300 M HN 0.194 nan 8.290 nan 0.000 0.420 301 D N 0.572 120.914 120.400 -0.095 0.000 2.144 301 D HA -0.078 4.562 4.640 0.000 0.000 0.199 301 D C 2.099 178.330 176.300 -0.116 0.000 0.984 301 D CA 1.193 55.153 54.000 -0.066 0.000 0.834 301 D CB -0.025 40.774 40.800 -0.002 0.000 0.955 301 D HN 0.344 nan 8.370 nan 0.000 0.465 302 L N 0.184 121.341 121.223 -0.110 0.000 2.463 302 L HA 0.131 4.471 4.340 0.000 0.000 0.219 302 L C 1.313 178.196 176.870 0.022 0.000 1.088 302 L CA -0.188 54.611 54.840 -0.068 0.000 0.849 302 L CB -0.044 42.004 42.059 -0.018 0.000 1.012 302 L HN -0.039 nan 8.230 nan 0.000 0.468 303 R N 0.338 120.872 120.500 0.055 0.000 2.801 303 R HA 0.184 4.524 4.340 0.000 0.000 0.273 303 R C -0.367 175.935 176.300 0.004 0.000 1.080 303 R CA -0.255 55.851 56.100 0.010 0.000 1.197 303 R CB 0.302 30.634 30.300 0.053 0.000 1.109 303 R HN -0.153 nan 8.270 nan 0.000 0.535 304 S N 2.117 117.818 115.700 0.003 0.000 2.438 304 S HA 0.203 4.673 4.470 0.000 0.000 0.293 304 S C -1.854 172.828 174.600 0.136 0.000 1.141 304 S CA -1.359 56.877 58.200 0.061 0.000 1.080 304 S CB 1.831 65.091 63.200 0.101 0.000 0.978 304 S HN 0.565 nan 8.310 nan 0.000 0.479 305 P HA 0.043 nan 4.420 nan 0.000 0.225 305 P C -0.178 177.206 177.300 0.140 0.000 1.156 305 P CA 0.886 64.052 63.100 0.109 0.000 0.787 305 P CB 0.294 31.987 31.700 -0.011 0.000 0.802 306 K N -0.870 119.532 120.400 0.004 0.000 2.444 306 K HA 0.686 5.006 4.320 0.000 0.000 0.252 306 K C -0.156 176.450 176.600 0.010 0.000 0.993 306 K CA -0.903 55.257 56.287 -0.212 0.000 0.847 306 K CB 2.459 34.604 32.500 -0.593 0.000 1.340 306 K HN -0.148 nan 8.250 nan 0.000 0.446 307 G N 0.641 109.376 108.800 -0.109 0.000 2.563 307 G HA2 0.529 4.489 3.960 0.000 0.000 0.302 307 G HA3 0.529 4.489 3.960 0.000 0.000 0.302 307 G C -1.474 173.557 174.900 0.219 0.000 1.301 307 G CA -0.632 44.572 45.100 0.173 0.000 0.965 307 G HN 0.407 nan 8.290 nan 0.000 0.480 308 R N 1.608 122.206 120.500 0.162 0.000 2.343 308 R HA 0.444 4.784 4.340 0.000 0.000 0.320 308 R C -0.299 175.941 176.300 -0.101 0.000 0.956 308 R CA -0.712 55.371 56.100 -0.027 0.000 0.836 308 R CB 0.902 31.121 30.300 -0.134 0.000 1.151 308 R HN 0.291 nan 8.270 nan 0.000 0.450 309 L N 5.643 126.737 121.223 -0.214 0.000 2.456 309 L HA 0.299 4.639 4.340 0.000 0.000 0.257 309 L C -1.392 175.312 176.870 -0.276 0.000 1.162 309 L CA -1.965 52.641 54.840 -0.390 0.000 0.808 309 L CB 1.048 42.736 42.059 -0.618 0.000 1.136 309 L HN 0.547 nan 8.230 nan 0.000 0.466 310 P HA -0.153 nan 4.420 nan 0.000 0.218 310 P C 0.549 177.773 177.300 -0.126 0.000 1.148 310 P CA 1.065 64.100 63.100 -0.108 0.000 0.822 310 P CB 0.104 31.813 31.700 0.014 0.000 0.784 311 D N -2.263 118.023 120.400 -0.189 0.000 2.336 311 D HA 0.121 4.761 4.640 0.000 0.000 0.229 311 D C 1.430 177.648 176.300 -0.136 0.000 1.061 311 D CA 0.642 54.557 54.000 -0.143 0.000 0.875 311 D CB -0.887 39.824 40.800 -0.149 0.000 0.904 311 D HN 0.238 nan 8.370 nan 0.000 0.525 312 G N -0.038 108.670 108.800 -0.154 0.000 2.241 312 G HA2 -0.305 3.655 3.960 0.000 0.000 0.244 312 G HA3 -0.305 3.655 3.960 0.000 0.000 0.244 312 G C 0.503 175.313 174.900 -0.150 0.000 0.998 312 G CA 0.262 45.275 45.100 -0.144 0.000 0.621 312 G HN 0.831 nan 8.290 nan 0.000 0.519 313 S N 0.067 115.675 115.700 -0.154 0.000 2.585 313 S HA 0.649 5.119 4.470 0.000 0.000 0.273 313 S C 0.519 175.046 174.600 -0.122 0.000 1.339 313 S CA 0.042 58.165 58.200 -0.128 0.000 1.028 313 S CB 2.036 65.160 63.200 -0.126 0.000 0.906 313 S HN 1.859 nan 8.310 nan 0.000 0.528 314 V N -0.017 119.859 119.914 -0.063 0.000 2.850 314 V HA 0.912 5.032 4.120 0.000 0.000 0.315 314 V C -0.100 175.986 176.094 -0.013 0.000 1.064 314 V CA -0.903 61.400 62.300 0.005 0.000 0.979 314 V CB 1.366 33.278 31.823 0.147 0.000 1.039 314 V HN 0.936 nan 8.190 nan 0.000 0.452 315 V N 2.095 121.975 119.914 -0.056 0.000 2.789 315 V HA 0.649 4.769 4.120 0.000 0.000 0.311 315 V C -0.049 175.879 176.094 -0.277 0.000 1.073 315 V CA 0.071 62.282 62.300 -0.148 0.000 0.921 315 V CB 2.506 34.244 31.823 -0.141 0.000 1.009 315 V HN 1.149 nan 8.190 nan 0.000 0.426 316 T N 6.853 121.297 114.554 -0.184 0.000 2.781 316 T HA 0.452 4.802 4.350 0.000 0.000 0.305 316 T C -0.827 173.813 174.700 -0.100 0.000 1.001 316 T CA 0.163 62.169 62.100 -0.157 0.000 0.950 316 T CB -0.040 68.791 68.868 -0.062 0.000 0.955 316 T HN 0.523 nan 8.240 nan 0.000 0.471 317 Y N 2.857 123.182 120.300 0.040 0.000 2.632 317 Y HA 0.028 4.578 4.550 0.000 0.000 0.329 317 Y C 1.816 177.736 175.900 0.034 0.000 1.174 317 Y CA -0.286 57.840 58.100 0.043 0.000 1.469 317 Y CB 0.429 38.924 38.460 0.059 0.000 1.242 317 Y HN 0.626 nan 8.280 nan 0.000 0.540 318 E N 2.668 122.977 120.200 0.183 0.000 2.122 318 E HA -0.078 4.272 4.350 0.000 0.000 0.190 318 E C 0.498 177.169 176.600 0.118 0.000 0.977 318 E CA 0.440 56.911 56.400 0.119 0.000 0.820 318 E CB 0.038 29.775 29.700 0.061 0.000 0.770 318 E HN 0.660 nan 8.360 nan 0.000 0.462 319 K N 0.743 121.213 120.400 0.116 0.000 2.219 319 K HA 0.113 4.433 4.320 0.000 0.000 0.258 319 K C 1.231 177.880 176.600 0.081 0.000 1.008 319 K CA -0.247 56.088 56.287 0.079 0.000 0.928 319 K CB 1.262 33.787 32.500 0.043 0.000 0.983 319 K HN -0.153 nan 8.250 nan 0.000 0.484 320 I N 0.715 121.332 120.570 0.079 0.000 2.252 320 I HA -0.219 3.951 4.170 0.000 0.000 0.245 320 I C 0.153 176.285 176.117 0.024 0.000 1.102 320 I CA 1.644 63.000 61.300 0.093 0.000 1.385 320 I CB 0.159 38.243 38.000 0.139 0.000 1.064 320 I HN 0.976 nan 8.210 nan 0.000 0.414 321 S N -1.881 113.800 115.700 -0.033 0.000 2.656 321 S HA 0.635 5.106 4.470 0.000 0.000 0.265 321 S C -0.578 173.949 174.600 -0.122 0.000 1.132 321 S CA -0.305 57.810 58.200 -0.140 0.000 0.819 321 S CB 0.664 63.793 63.200 -0.119 0.000 1.119 321 S HN 0.353 nan 8.310 nan 0.000 0.476 322 S N 0.162 115.777 115.700 -0.141 0.000 2.740 322 S HA 0.564 5.034 4.470 0.000 0.000 0.300 322 S C 1.051 175.631 174.600 -0.033 0.000 1.147 322 S CA -0.423 57.745 58.200 -0.054 0.000 0.871 322 S CB 0.997 64.188 63.200 -0.016 0.000 1.173 322 S HN 1.075 nan 8.310 nan 0.000 0.510 323 M N 1.385 120.991 119.600 0.011 0.000 2.103 323 M HA -0.113 4.367 4.480 0.000 0.000 0.255 323 M C 1.849 178.141 176.300 -0.013 0.000 1.074 323 M CA 2.605 57.913 55.300 0.015 0.000 1.090 323 M CB -1.170 31.446 32.600 0.027 0.000 1.325 323 M HN 0.969 nan 8.290 nan 0.000 0.403 324 G N 0.834 109.622 108.800 -0.019 0.000 2.501 324 G HA2 -0.224 3.736 3.960 0.000 0.000 0.220 324 G HA3 -0.224 3.736 3.960 0.000 0.000 0.220 324 G C 0.685 175.544 174.900 -0.069 0.000 1.114 324 G CA 0.429 45.509 45.100 -0.033 0.000 0.757 324 G HN 0.595 nan 8.290 nan 0.000 0.559 325 N N 0.941 119.569 118.700 -0.120 0.000 2.492 325 N HA 0.158 4.898 4.740 0.000 0.000 0.260 325 N C 1.453 176.839 175.510 -0.206 0.000 1.215 325 N CA 0.467 53.382 53.050 -0.225 0.000 0.923 325 N CB 1.318 39.573 38.487 -0.387 0.000 1.092 325 N HN -0.059 nan 8.380 nan 0.000 0.448 326 G N 2.044 110.725 108.800 -0.198 0.000 2.776 326 G HA2 -0.148 3.812 3.960 0.000 0.000 0.209 326 G HA3 -0.148 3.812 3.960 0.000 0.000 0.209 326 G C 0.719 175.626 174.900 0.011 0.000 1.145 326 G CA 0.628 45.682 45.100 -0.078 0.000 0.791 326 G HN 0.839 nan 8.290 nan 0.000 0.530 327 Y N -3.777 116.543 120.300 0.033 0.000 2.527 327 Y HA 0.331 4.881 4.550 0.000 0.000 0.247 327 Y C 2.144 178.056 175.900 0.020 0.000 1.138 327 Y CA 0.226 58.346 58.100 0.034 0.000 1.228 327 Y CB 0.013 38.498 38.460 0.042 0.000 1.252 327 Y HN -0.042 nan 8.280 nan 0.000 0.531 328 T N 1.945 116.563 114.554 0.107 0.000 2.665 328 T HA -0.248 4.102 4.350 0.000 0.000 0.268 328 T C 1.378 176.145 174.700 0.112 0.000 1.035 328 T CA 2.428 64.597 62.100 0.114 0.000 1.151 328 T CB -0.546 68.326 68.868 0.006 0.000 0.862 328 T HN 0.524 nan 8.240 nan 0.000 0.438 329 F N 2.136 122.072 119.950 -0.024 0.000 2.126 329 F HA -0.117 4.411 4.527 0.000 0.000 0.299 329 F C 2.120 177.873 175.800 -0.078 0.000 1.096 329 F CA 1.499 59.460 58.000 -0.064 0.000 1.255 329 F CB -0.296 38.651 39.000 -0.089 0.000 0.997 329 F HN 0.129 nan 8.300 nan 0.000 0.479 330 E N 0.194 120.334 120.200 -0.100 0.000 2.072 330 E HA -0.126 4.224 4.350 0.000 0.000 0.190 330 E C 1.971 178.450 176.600 -0.202 0.000 0.982 330 E CA 1.124 57.397 56.400 -0.211 0.000 0.803 330 E CB -0.639 29.030 29.700 -0.053 0.000 0.755 330 E HN 0.402 nan 8.360 nan 0.000 0.453 331 L N 1.642 122.808 121.223 -0.095 0.000 2.083 331 L HA -0.175 4.165 4.340 0.000 0.000 0.209 331 L C 2.086 178.808 176.870 -0.247 0.000 1.083 331 L CA 2.026 56.787 54.840 -0.132 0.000 0.752 331 L CB -0.497 41.557 42.059 -0.009 0.000 0.899 331 L HN 0.252 nan 8.230 nan 0.000 0.433 332 E N -1.813 118.203 120.200 -0.307 0.000 2.152 332 E HA -0.132 4.218 4.350 0.000 0.000 0.192 332 E C 1.922 178.156 176.600 -0.611 0.000 0.983 332 E CA 1.156 57.186 56.400 -0.617 0.000 0.818 332 E CB -0.446 28.941 29.700 -0.522 0.000 0.758 332 E HN 0.430 nan 8.360 nan 0.000 0.467 333 S N 1.118 116.593 115.700 -0.375 0.000 2.356 333 S HA -0.146 4.324 4.470 0.000 0.000 0.223 333 S C 1.862 176.395 174.600 -0.111 0.000 1.032 333 S CA 1.244 59.306 58.200 -0.230 0.000 1.005 333 S CB -0.377 62.590 63.200 -0.389 0.000 0.867 333 S HN 0.307 nan 8.310 nan 0.000 0.449 334 L N 1.820 122.942 121.223 -0.169 0.000 2.017 334 L HA -0.018 4.322 4.340 0.000 0.000 0.208 334 L C 1.966 178.832 176.870 -0.007 0.000 1.073 334 L CA 1.644 56.429 54.840 -0.092 0.000 0.745 334 L CB -0.507 41.422 42.059 -0.217 0.000 0.894 334 L HN 0.282 nan 8.230 nan 0.000 0.432 335 I N -1.281 119.195 120.570 -0.157 0.000 2.179 335 I HA -0.295 3.875 4.170 0.000 0.000 0.242 335 I C 2.255 178.400 176.117 0.047 0.000 1.088 335 I CA 1.235 62.468 61.300 -0.111 0.000 1.357 335 I CB -0.402 37.454 38.000 -0.240 0.000 1.051 335 I HN 0.188 nan 8.210 nan 0.000 0.409 336 F N 1.137 121.127 119.950 0.067 0.000 2.102 336 F HA -0.187 4.340 4.527 0.000 0.000 0.298 336 F C 2.674 178.581 175.800 0.179 0.000 1.105 336 F CA 1.054 59.130 58.000 0.126 0.000 1.239 336 F CB -1.507 37.507 39.000 0.024 0.000 0.991 336 F HN 0.016 nan 8.300 nan 0.000 0.474 337 A N 0.197 123.211 122.820 0.324 0.000 1.883 337 A HA -0.231 4.089 4.320 0.000 0.000 0.217 337 A C 2.449 180.104 177.584 0.119 0.000 1.186 337 A CA 2.566 54.746 52.037 0.239 0.000 0.624 337 A CB -1.314 17.889 19.000 0.339 0.000 0.822 337 A HN 0.430 nan 8.150 nan 0.000 0.444 338 S N -0.173 115.663 115.700 0.228 0.000 2.383 338 S HA -0.082 4.388 4.470 0.000 0.000 0.227 338 S C 1.904 176.536 174.600 0.054 0.000 1.026 338 S CA 1.469 59.729 58.200 0.100 0.000 0.981 338 S CB -0.680 62.707 63.200 0.312 0.000 0.818 338 S HN 0.433 nan 8.310 nan 0.000 0.472 339 L N 1.322 122.647 121.223 0.171 0.000 2.072 339 L HA 0.071 4.411 4.340 0.000 0.000 0.205 339 L C 3.241 180.175 176.870 0.106 0.000 1.079 339 L CA 1.093 56.047 54.840 0.190 0.000 0.752 339 L CB -0.839 41.461 42.059 0.402 0.000 0.906 339 L HN 0.459 nan 8.230 nan 0.000 0.436 340 A N 0.278 123.171 122.820 0.121 0.000 1.902 340 A HA -0.212 4.108 4.320 0.000 0.000 0.217 340 A C 2.376 179.922 177.584 -0.063 0.000 1.181 340 A CA 1.582 53.627 52.037 0.013 0.000 0.623 340 A CB -0.480 18.549 19.000 0.048 0.000 0.818 340 A HN 0.318 nan 8.150 nan 0.000 0.443 341 R N -0.419 120.010 120.500 -0.118 0.000 2.115 341 R HA -0.041 4.299 4.340 0.000 0.000 0.230 341 R C 2.425 178.633 176.300 -0.152 0.000 1.111 341 R CA 1.455 57.431 56.100 -0.207 0.000 0.976 341 R CB -0.273 29.765 30.300 -0.436 0.000 0.870 341 R HN 0.485 nan 8.270 nan 0.000 0.445 342 S N 0.086 115.723 115.700 -0.104 0.000 2.387 342 S HA -0.055 4.415 4.470 0.000 0.000 0.226 342 S C 2.036 176.606 174.600 -0.051 0.000 1.026 342 S CA 0.771 58.934 58.200 -0.062 0.000 0.972 342 S CB 0.017 63.203 63.200 -0.024 0.000 0.814 342 S HN 0.050 nan 8.310 nan 0.000 0.477 343 V N 1.271 121.152 119.914 -0.055 0.000 2.332 343 V HA -0.273 3.847 4.120 0.000 0.000 0.248 343 V C 2.441 178.496 176.094 -0.066 0.000 1.055 343 V CA 1.579 63.840 62.300 -0.066 0.000 1.038 343 V CB -0.843 30.923 31.823 -0.095 0.000 0.651 343 V HN 0.594 nan 8.190 nan 0.000 0.450 344 C N -0.556 118.699 119.300 -0.075 0.000 2.413 344 C HA -0.172 4.288 4.460 0.000 0.000 0.276 344 C C 2.765 177.720 174.990 -0.059 0.000 1.236 344 C CA 1.335 60.311 59.018 -0.071 0.000 1.735 344 C CB -0.850 26.840 27.740 -0.083 0.000 2.031 344 C HN 0.643 nan 8.230 nan 0.000 0.474 345 E N 0.845 121.008 120.200 -0.062 0.000 2.058 345 E HA -0.158 4.192 4.350 0.000 0.000 0.194 345 E C 1.979 178.563 176.600 -0.027 0.000 0.997 345 E CA 1.191 57.564 56.400 -0.046 0.000 0.801 345 E CB -0.297 29.376 29.700 -0.046 0.000 0.746 345 E HN 0.461 nan 8.360 nan 0.000 0.450 346 I N 0.248 120.805 120.570 -0.021 0.000 2.423 346 I HA -0.236 3.934 4.170 0.000 0.000 0.254 346 I C 1.689 177.802 176.117 -0.007 0.000 1.151 346 I CA 1.237 62.535 61.300 -0.003 0.000 1.421 346 I CB -0.316 37.684 38.000 -0.001 0.000 1.079 346 I HN 0.252 nan 8.210 nan 0.000 0.431 347 L N -0.557 120.653 121.223 -0.023 0.000 2.640 347 L HA 0.071 4.411 4.340 0.000 0.000 0.230 347 L C 0.465 177.320 176.870 -0.025 0.000 1.123 347 L CA 0.054 54.879 54.840 -0.024 0.000 0.900 347 L CB -0.005 42.033 42.059 -0.036 0.000 1.146 347 L HN 0.158 nan 8.230 nan 0.000 0.484 348 D N 0.845 121.230 120.400 -0.026 0.000 2.907 348 D HA -0.169 4.471 4.640 0.000 0.000 0.226 348 D C -0.297 175.984 176.300 -0.031 0.000 1.141 348 D CA 0.686 54.670 54.000 -0.026 0.000 0.779 348 D CB -1.071 39.716 40.800 -0.021 0.000 1.095 348 D HN 0.151 nan 8.370 nan 0.000 0.430 349 L N -0.106 121.094 121.223 -0.038 0.000 2.375 349 L HA 0.435 4.775 4.340 0.000 0.000 0.268 349 L C 0.824 177.666 176.870 -0.048 0.000 1.058 349 L CA -0.982 53.833 54.840 -0.042 0.000 0.803 349 L CB 0.877 42.907 42.059 -0.048 0.000 1.212 349 L HN -0.077 nan 8.230 nan 0.000 0.451 350 D N -0.079 120.294 120.400 -0.046 0.000 2.339 350 D HA 0.033 4.674 4.640 0.000 0.000 0.256 350 D C 1.003 177.263 176.300 -0.066 0.000 1.214 350 D CA -0.087 53.883 54.000 -0.050 0.000 0.877 350 D CB 1.313 42.090 40.800 -0.039 0.000 1.111 350 D HN 0.522 nan 8.370 nan 0.000 0.478 351 S N 1.646 117.293 115.700 -0.088 0.000 2.515 351 S HA -0.146 4.324 4.470 0.000 0.000 0.231 351 S C 1.616 176.139 174.600 -0.127 0.000 0.987 351 S CA 0.702 58.825 58.200 -0.128 0.000 0.936 351 S CB -0.368 62.722 63.200 -0.183 0.000 0.766 351 S HN 0.383 nan 8.310 nan 0.000 0.528 352 S N 0.272 115.921 115.700 -0.086 0.000 2.603 352 S HA 0.174 4.645 4.470 0.000 0.000 0.220 352 S C 1.209 175.789 174.600 -0.033 0.000 0.967 352 S CA 0.261 58.429 58.200 -0.054 0.000 0.920 352 S CB -0.268 62.916 63.200 -0.027 0.000 0.773 352 S HN 0.416 nan 8.310 nan 0.000 0.529 353 E N 0.979 121.154 120.200 -0.042 0.000 2.511 353 E HA 0.186 4.536 4.350 0.000 0.000 0.196 353 E C -0.397 176.188 176.600 -0.025 0.000 1.066 353 E CA -0.015 56.367 56.400 -0.031 0.000 0.871 353 E CB 0.184 29.861 29.700 -0.038 0.000 0.863 353 E HN 0.415 nan 8.360 nan 0.000 0.520 354 V N 1.224 121.119 119.914 -0.031 0.000 2.407 354 V HA 0.368 4.488 4.120 0.000 0.000 0.278 354 V C 0.129 176.241 176.094 0.030 0.000 1.037 354 V CA -0.289 62.004 62.300 -0.012 0.000 0.900 354 V CB 1.451 33.248 31.823 -0.043 0.000 0.983 354 V HN 0.217 nan 8.190 nan 0.000 0.459 355 T N 2.088 116.675 114.554 0.055 0.000 2.893 355 T HA 0.838 5.188 4.350 0.000 0.000 0.293 355 T C -0.983 173.788 174.700 0.118 0.000 1.027 355 T CA -0.699 61.456 62.100 0.091 0.000 0.988 355 T CB 1.845 70.764 68.868 0.086 0.000 1.043 355 T HN 0.304 nan 8.240 nan 0.000 0.461 356 V N 2.426 122.429 119.914 0.149 0.000 2.876 356 V HA 0.638 4.758 4.120 0.000 0.000 0.312 356 V C -1.674 174.544 176.094 0.207 0.000 1.085 356 V CA -1.017 61.381 62.300 0.164 0.000 0.945 356 V CB 2.190 34.108 31.823 0.158 0.000 1.017 356 V HN 0.994 nan 8.190 nan 0.000 0.428 357 Y N 2.818 123.159 120.300 0.069 0.000 2.475 357 Y HA 0.564 5.114 4.550 0.000 0.000 0.343 357 Y C 0.665 176.619 175.900 0.091 0.000 1.068 357 Y CA 0.540 58.691 58.100 0.085 0.000 1.307 357 Y CB 1.033 39.600 38.460 0.179 0.000 1.097 357 Y HN 1.049 nan 8.280 nan 0.000 0.530 358 G N 4.091 112.614 108.800 -0.463 0.000 2.634 358 G HA2 -0.453 3.507 3.960 0.000 0.000 0.318 358 G HA3 -0.453 3.507 3.960 0.000 0.000 0.318 358 G C 0.914 175.897 174.900 0.138 0.000 1.207 358 G CA 0.932 45.865 45.100 -0.279 0.000 0.987 358 G HN 0.548 nan 8.290 nan 0.000 0.547 359 D N 1.399 121.922 120.400 0.205 0.000 2.263 359 D HA 0.046 4.686 4.640 0.000 0.000 0.208 359 D C 0.535 176.856 176.300 0.035 0.000 0.971 359 D CA 0.967 55.037 54.000 0.116 0.000 0.867 359 D CB -0.144 40.730 40.800 0.124 0.000 0.929 359 D HN 0.292 nan 8.370 nan 0.000 0.492 360 D N -0.078 120.411 120.400 0.148 0.000 2.359 360 D HA 0.292 4.932 4.640 0.000 0.000 0.230 360 D C -0.149 176.221 176.300 0.117 0.000 1.118 360 D CA -0.253 53.830 54.000 0.139 0.000 0.844 360 D CB 0.727 41.658 40.800 0.218 0.000 1.059 360 D HN 0.057 nan 8.370 nan 0.000 0.493 361 I N 3.608 124.213 120.570 0.058 0.000 2.441 361 I HA 0.414 4.584 4.170 0.000 0.000 0.295 361 I C -0.003 176.145 176.117 0.052 0.000 0.994 361 I CA -0.675 60.661 61.300 0.060 0.000 1.144 361 I CB 1.786 39.806 38.000 0.034 0.000 1.314 361 I HN 0.104 nan 8.210 nan 0.000 0.445 362 I N 7.473 128.075 120.570 0.053 0.000 2.447 362 I HA 0.530 4.700 4.170 0.000 0.000 0.287 362 I C -0.601 175.523 176.117 0.012 0.000 1.023 362 I CA -0.592 60.725 61.300 0.030 0.000 1.083 362 I CB 1.679 39.698 38.000 0.033 0.000 1.245 362 I HN 0.471 nan 8.210 nan 0.000 0.434 363 L N 4.734 125.951 121.223 -0.010 0.000 2.630 363 L HA 0.796 5.136 4.340 0.000 0.000 0.258 363 L C -3.042 173.805 176.870 -0.037 0.000 1.072 363 L CA -2.261 52.562 54.840 -0.027 0.000 0.885 363 L CB 1.859 43.892 42.059 -0.042 0.000 1.502 363 L HN 0.106 nan 8.230 nan 0.000 0.406 364 P HA 0.213 nan 4.420 nan 0.000 0.268 364 P C 0.207 177.478 177.300 -0.048 0.000 1.205 364 P CA -0.017 63.056 63.100 -0.045 0.000 0.771 364 P CB 1.141 32.814 31.700 -0.046 0.000 0.858 365 S N 1.014 116.688 115.700 -0.044 0.000 2.387 365 S HA -0.195 4.275 4.470 0.000 0.000 0.230 365 S C 1.634 176.205 174.600 -0.049 0.000 1.035 365 S CA 1.414 59.588 58.200 -0.043 0.000 1.014 365 S CB -1.128 62.048 63.200 -0.039 0.000 0.836 365 S HN 0.575 nan 8.310 nan 0.000 0.466 366 C N 1.660 120.931 119.300 -0.048 0.000 2.419 366 C HA 0.100 4.560 4.460 0.000 0.000 0.283 366 C C 2.869 177.824 174.990 -0.057 0.000 1.373 366 C CA 0.327 59.316 59.018 -0.048 0.000 1.781 366 C CB -1.672 26.043 27.740 -0.042 0.000 1.886 366 C HN 0.695 nan 8.230 nan 0.000 0.520 367 A N -0.115 122.665 122.820 -0.067 0.000 2.123 367 A HA 0.092 4.412 4.320 0.000 0.000 0.214 367 A C 2.164 179.683 177.584 -0.109 0.000 1.152 367 A CA 0.936 52.922 52.037 -0.085 0.000 0.728 367 A CB -0.370 18.576 19.000 -0.090 0.000 0.814 367 A HN 0.340 nan 8.150 nan 0.000 0.464 368 V N 0.918 120.772 119.914 -0.101 0.000 2.255 368 V HA -0.188 3.932 4.120 0.000 0.000 0.247 368 V C -0.071 175.946 176.094 -0.127 0.000 1.051 368 V CA 2.698 64.926 62.300 -0.121 0.000 1.018 368 V CB -1.437 30.331 31.823 -0.091 0.000 0.641 368 V HN 0.371 nan 8.190 nan 0.000 0.445 369 P HA -0.184 nan 4.420 nan 0.000 0.216 369 P C 1.689 178.932 177.300 -0.096 0.000 1.153 369 P CA 2.171 65.221 63.100 -0.083 0.000 0.858 369 P CB -0.179 31.485 31.700 -0.061 0.000 0.789 370 A N -0.803 121.955 122.820 -0.102 0.000 1.902 370 A HA -0.176 4.144 4.320 0.000 0.000 0.217 370 A C 2.167 179.654 177.584 -0.162 0.000 1.181 370 A CA 1.456 53.427 52.037 -0.111 0.000 0.623 370 A CB -1.695 17.247 19.000 -0.095 0.000 0.818 370 A HN 0.153 nan 8.150 nan 0.000 0.443 371 L N -0.228 120.856 121.223 -0.232 0.000 2.079 371 L HA -0.145 4.195 4.340 0.000 0.000 0.210 371 L C 2.486 179.071 176.870 -0.474 0.000 1.081 371 L CA 1.802 56.379 54.840 -0.439 0.000 0.752 371 L CB -0.399 41.344 42.059 -0.526 0.000 0.896 371 L HN 0.327 nan 8.230 nan 0.000 0.433 372 R N -0.883 119.468 120.500 -0.249 0.000 2.092 372 R HA -0.107 4.233 4.340 0.000 0.000 0.231 372 R C 2.091 178.382 176.300 -0.016 0.000 1.119 372 R CA 1.158 57.196 56.100 -0.103 0.000 0.970 372 R CB -0.216 30.049 30.300 -0.058 0.000 0.864 372 R HN 0.405 nan 8.270 nan 0.000 0.440 373 E N 0.374 120.545 120.200 -0.048 0.000 2.047 373 E HA -0.129 4.221 4.350 0.000 0.000 0.191 373 E C 2.189 178.811 176.600 0.036 0.000 0.987 373 E CA 0.986 57.379 56.400 -0.012 0.000 0.799 373 E CB -0.358 29.311 29.700 -0.053 0.000 0.752 373 E HN 0.083 nan 8.360 nan 0.000 0.449 374 V N 1.467 121.381 119.914 -0.000 0.000 2.287 374 V HA -0.248 3.872 4.120 0.000 0.000 0.248 374 V C 2.267 178.542 176.094 0.301 0.000 1.053 374 V CA 1.631 63.982 62.300 0.085 0.000 1.027 374 V CB -0.596 31.244 31.823 0.028 0.000 0.646 374 V HN 0.106 nan 8.190 nan 0.000 0.447 375 F N 0.463 120.464 119.950 0.084 0.000 2.171 375 F HA -0.113 4.414 4.527 0.000 0.000 0.300 375 F C 2.303 178.128 175.800 0.043 0.000 1.090 375 F CA 1.422 59.502 58.000 0.133 0.000 1.293 375 F CB -0.971 38.158 39.000 0.216 0.000 1.013 375 F HN 0.118 nan 8.300 nan 0.000 0.486 376 K N -0.578 119.961 120.400 0.232 0.000 2.057 376 K HA -0.218 4.102 4.320 0.000 0.000 0.207 376 K C 2.009 178.634 176.600 0.041 0.000 1.049 376 K CA 1.136 57.489 56.287 0.108 0.000 0.931 376 K CB -0.998 31.552 32.500 0.083 0.000 0.714 376 K HN 0.307 nan 8.250 nan 0.000 0.440 377 Y N 0.025 120.300 120.300 -0.041 0.000 2.293 377 Y HA -0.112 4.439 4.550 0.000 0.000 0.291 377 Y C 1.285 177.089 175.900 -0.160 0.000 1.137 377 Y CA 1.078 59.121 58.100 -0.094 0.000 1.202 377 Y CB 0.319 38.722 38.460 -0.095 0.000 0.990 377 Y HN -0.065 nan 8.280 nan 0.000 0.537 378 V N -2.538 117.281 119.914 -0.158 0.000 3.444 378 V HA 0.531 4.651 4.120 0.000 0.000 0.308 378 V C 1.218 176.932 176.094 -0.634 0.000 1.371 378 V CA 0.542 62.599 62.300 -0.404 0.000 1.141 378 V CB -0.337 31.255 31.823 -0.384 0.000 1.037 378 V HN 0.520 nan 8.190 nan 0.000 0.433 379 G N -0.024 108.516 108.800 -0.433 0.000 2.132 379 G HA2 -0.229 3.731 3.960 0.000 0.000 0.234 379 G HA3 -0.229 3.731 3.960 0.000 0.000 0.234 379 G C -0.411 174.402 174.900 -0.144 0.000 0.989 379 G CA 0.136 45.060 45.100 -0.293 0.000 0.676 379 G HN 0.472 nan 8.290 nan 0.000 0.522 380 F N 0.443 120.376 119.950 -0.030 0.000 2.377 380 F HA 0.755 5.282 4.527 0.000 0.000 0.328 380 F C 0.818 176.621 175.800 0.005 0.000 1.094 380 F CA -1.188 56.780 58.000 -0.053 0.000 1.093 380 F CB 1.804 40.670 39.000 -0.223 0.000 1.214 380 F HN -0.076 nan 8.300 nan 0.000 0.518 381 T N 1.016 115.698 114.554 0.214 0.000 2.809 381 T HA 0.277 4.627 4.350 0.000 0.000 0.296 381 T C -0.406 174.359 174.700 0.109 0.000 1.015 381 T CA -0.454 61.726 62.100 0.132 0.000 0.954 381 T CB 0.343 69.263 68.868 0.086 0.000 0.950 381 T HN 0.768 nan 8.240 nan 0.000 0.450 382 T N 4.126 118.756 114.554 0.127 0.000 2.817 382 T HA 0.297 4.647 4.350 0.000 0.000 0.293 382 T C 0.264 174.985 174.700 0.035 0.000 0.964 382 T CA -0.668 61.489 62.100 0.096 0.000 1.085 382 T CB 0.264 69.213 68.868 0.134 0.000 0.921 382 T HN 0.535 nan 8.240 nan 0.000 0.502 383 N N 3.965 122.670 118.700 0.010 0.000 2.482 383 N HA 0.168 4.908 4.740 0.000 0.000 0.242 383 N C 1.279 176.754 175.510 -0.058 0.000 1.100 383 N CA -0.070 52.973 53.050 -0.010 0.000 0.946 383 N CB 0.399 38.888 38.487 0.003 0.000 1.227 383 N HN 0.687 nan 8.380 nan 0.000 0.508 384 T N 2.766 117.281 114.554 -0.064 0.000 2.778 384 T HA -0.162 4.189 4.350 0.000 0.000 0.269 384 T C 1.374 175.954 174.700 -0.200 0.000 1.050 384 T CA 1.391 63.422 62.100 -0.115 0.000 1.137 384 T CB 0.047 68.869 68.868 -0.078 0.000 0.860 384 T HN 0.546 nan 8.240 nan 0.000 0.468 385 K N 0.432 120.746 120.400 -0.144 0.000 2.217 385 K HA 0.030 4.350 4.320 0.000 0.000 0.202 385 K C 1.693 178.110 176.600 -0.304 0.000 1.051 385 K CA 0.669 56.858 56.287 -0.164 0.000 0.952 385 K CB 0.133 32.623 32.500 -0.017 0.000 0.736 385 K HN 0.042 nan 8.250 nan 0.000 0.453 386 K N 0.622 120.884 120.400 -0.231 0.000 2.399 386 K HA 0.128 4.448 4.320 0.000 0.000 0.204 386 K C -0.193 176.219 176.600 -0.312 0.000 1.023 386 K CA 0.227 56.422 56.287 -0.153 0.000 1.127 386 K CB 1.187 33.752 32.500 0.108 0.000 0.856 386 K HN -0.075 nan 8.250 nan 0.000 0.514 387 T N 1.285 115.526 114.554 -0.522 0.000 2.767 387 T HA 0.487 4.837 4.350 0.000 0.000 0.284 387 T C -0.699 173.643 174.700 -0.596 0.000 0.973 387 T CA -0.259 61.628 62.100 -0.355 0.000 0.996 387 T CB 0.355 69.109 68.868 -0.191 0.000 0.927 387 T HN -0.126 nan 8.240 nan 0.000 0.456 388 F N 2.213 122.157 119.950 -0.011 0.000 2.496 388 F HA 0.368 4.895 4.527 0.000 0.000 0.341 388 F C 1.105 176.873 175.800 -0.054 0.000 1.134 388 F CA -0.920 57.058 58.000 -0.037 0.000 0.968 388 F CB 1.765 40.769 39.000 0.007 0.000 1.205 388 F HN 0.602 nan 8.300 nan 0.000 0.436 389 S N 0.324 116.069 115.700 0.074 0.000 2.666 389 S HA 0.329 4.799 4.470 0.000 0.000 0.239 389 S C -0.175 174.428 174.600 0.005 0.000 1.031 389 S CA -0.310 57.901 58.200 0.019 0.000 1.015 389 S CB -0.265 62.922 63.200 -0.022 0.000 0.981 389 S HN 0.703 nan 8.310 nan 0.000 0.547 390 E N -0.291 119.924 120.200 0.025 0.000 2.456 390 E HA 0.648 4.998 4.350 0.000 0.000 0.278 390 E C 0.006 176.611 176.600 0.007 0.000 1.034 390 E CA -1.006 55.393 56.400 -0.002 0.000 0.846 390 E CB 0.602 30.295 29.700 -0.012 0.000 1.460 390 E HN 0.676 nan 8.360 nan 0.000 0.463 391 G N 0.596 109.377 108.800 -0.031 0.000 2.781 391 G HA2 -0.143 3.817 3.960 0.000 0.000 0.683 391 G HA3 -0.143 3.817 3.960 0.000 0.000 0.683 391 G C -2.091 172.721 174.900 -0.145 0.000 1.390 391 G CA -0.293 44.774 45.100 -0.056 0.000 0.850 391 G HN 0.518 nan 8.290 nan 0.000 0.557 392 P HA 0.176 nan 4.420 nan 0.000 0.241 392 P C 0.346 177.350 177.300 -0.494 0.000 1.191 392 P CA 0.674 63.468 63.100 -0.509 0.000 0.771 392 P CB 0.165 31.274 31.700 -0.985 0.000 0.929 393 F N 1.607 121.262 119.950 -0.493 0.000 2.443 393 F HA 0.581 5.108 4.527 0.000 0.000 0.335 393 F C 0.173 175.680 175.800 -0.489 0.000 1.104 393 F CA -0.834 56.881 58.000 -0.476 0.000 1.013 393 F CB 1.054 39.768 39.000 -0.477 0.000 1.136 393 F HN -0.363 nan 8.300 nan 0.000 0.470 394 R N 3.709 123.549 120.500 -1.100 0.000 2.808 394 R HA 0.445 4.785 4.340 0.000 0.000 0.272 394 R C -1.478 174.230 176.300 -0.987 0.000 0.995 394 R CA -0.923 54.706 56.100 -0.786 0.000 0.917 394 R CB 1.940 32.057 30.300 -0.305 0.000 1.217 394 R HN 0.733 nan 8.270 nan 0.000 0.471 395 E N 0.893 120.829 120.200 -0.439 0.000 2.321 395 E HA 0.391 4.741 4.350 0.000 0.000 0.281 395 E C -1.772 174.772 176.600 -0.093 0.000 0.910 395 E CA -0.209 55.998 56.400 -0.321 0.000 0.770 395 E CB 2.159 31.706 29.700 -0.255 0.000 1.225 395 E HN 0.414 nan 8.360 nan 0.000 0.417 396 S N 2.489 118.139 115.700 -0.083 0.000 2.543 396 S HA 0.371 4.841 4.470 0.000 0.000 0.271 396 S C -0.572 174.030 174.600 0.003 0.000 1.148 396 S CA 0.106 58.308 58.200 0.004 0.000 0.914 396 S CB 0.597 63.823 63.200 0.042 0.000 1.096 396 S HN 0.812 nan 8.310 nan 0.000 0.471 397 C N 3.457 122.777 119.300 0.033 0.000 4.350 397 C HA -0.062 4.398 4.460 0.000 0.000 0.302 397 C C 1.719 176.725 174.990 0.027 0.000 1.390 397 C CA 1.197 60.218 59.018 0.005 0.000 2.016 397 C CB -2.370 25.297 27.740 -0.123 0.000 1.271 397 C HN 2.118 nan 8.230 nan 0.000 0.760 398 G N -1.017 107.825 108.800 0.070 0.000 2.225 398 G HA2 -0.228 3.732 3.960 0.000 0.000 0.254 398 G HA3 -0.228 3.732 3.960 0.000 0.000 0.254 398 G C -0.038 174.981 174.900 0.199 0.000 0.988 398 G CA 0.713 45.912 45.100 0.165 0.000 0.625 398 G HN 0.528 nan 8.290 nan 0.000 0.527 399 K N 0.897 121.326 120.400 0.047 0.000 2.164 399 K HA 0.714 5.034 4.320 0.000 0.000 0.258 399 K C -0.754 175.688 176.600 -0.263 0.000 0.951 399 K CA -0.603 55.678 56.287 -0.011 0.000 0.844 399 K CB 1.311 33.814 32.500 0.006 0.000 1.099 399 K HN 0.456 nan 8.250 nan 0.000 0.435 400 H N 1.033 119.858 119.070 -0.410 0.000 2.589 400 H HA 0.448 5.004 4.556 0.000 0.000 0.351 400 H C -1.068 173.891 175.328 -0.616 0.000 1.074 400 H CA -0.416 55.437 56.048 -0.325 0.000 1.203 400 H CB 0.896 30.771 29.762 0.189 0.000 1.558 400 H HN 0.393 nan 8.280 nan 0.000 0.522 401 Y N 1.092 121.273 120.300 -0.198 0.000 2.477 401 Y HA 0.347 4.897 4.550 0.000 0.000 0.347 401 Y C -1.080 174.724 175.900 -0.159 0.000 0.981 401 Y CA -1.059 56.984 58.100 -0.095 0.000 1.033 401 Y CB 1.949 40.358 38.460 -0.084 0.000 1.245 401 Y HN 0.636 nan 8.280 nan 0.000 0.455 402 Y N 1.178 121.506 120.300 0.046 0.000 2.363 402 Y HA 0.392 4.943 4.550 0.000 0.000 0.325 402 Y C 0.181 176.053 175.900 -0.046 0.000 0.984 402 Y CA -0.857 57.200 58.100 -0.072 0.000 1.248 402 Y CB 1.216 39.593 38.460 -0.138 0.000 1.116 402 Y HN 0.747 nan 8.280 nan 0.000 0.470 403 S N 4.136 119.665 115.700 -0.285 0.000 3.559 403 S HA -0.225 4.245 4.470 0.000 0.000 0.369 403 S C 1.213 175.759 174.600 -0.091 0.000 0.987 403 S CA 1.469 59.547 58.200 -0.203 0.000 1.187 403 S CB -1.663 61.439 63.200 -0.164 0.000 0.914 403 S HN 1.889 nan 8.310 nan 0.000 0.480 404 G N -1.977 106.738 108.800 -0.142 0.000 2.225 404 G HA2 -0.300 3.660 3.960 0.000 0.000 0.254 404 G HA3 -0.300 3.660 3.960 0.000 0.000 0.254 404 G C 0.151 175.186 174.900 0.226 0.000 0.988 404 G CA -0.039 44.977 45.100 -0.140 0.000 0.625 404 G HN 1.206 nan 8.290 nan 0.000 0.527 405 V N 2.128 122.186 119.914 0.241 0.000 2.461 405 V HA 0.388 4.508 4.120 0.000 0.000 0.275 405 V C 0.454 176.757 176.094 0.348 0.000 1.047 405 V CA -0.616 61.846 62.300 0.269 0.000 0.955 405 V CB 1.689 33.637 31.823 0.208 0.000 0.988 405 V HN 0.361 nan 8.190 nan 0.000 0.471 406 D N 4.313 124.890 120.400 0.294 0.000 2.363 406 D HA 0.059 4.699 4.640 0.000 0.000 0.263 406 D C 0.531 176.872 176.300 0.069 0.000 1.258 406 D CA 0.152 54.230 54.000 0.131 0.000 0.907 406 D CB 1.394 42.251 40.800 0.095 0.000 1.107 406 D HN 0.465 nan 8.370 nan 0.000 0.495 407 V N 1.199 121.172 119.914 0.099 0.000 3.070 407 V HA 0.242 4.362 4.120 0.000 0.000 0.345 407 V C 0.499 176.774 176.094 0.303 0.000 1.403 407 V CA -0.617 61.822 62.300 0.232 0.000 1.155 407 V CB -0.309 31.750 31.823 0.394 0.000 1.140 407 V HN 0.351 nan 8.190 nan 0.000 0.505 408 T N 5.659 120.318 114.554 0.175 0.000 2.866 408 T HA 0.181 4.531 4.350 0.000 0.000 0.293 408 T C -1.730 173.096 174.700 0.210 0.000 1.005 408 T CA 0.465 62.655 62.100 0.150 0.000 1.162 408 T CB 0.623 69.594 68.868 0.172 0.000 0.968 408 T HN 0.573 nan 8.240 nan 0.000 0.530 409 P HA 0.494 nan 4.420 nan 0.000 0.293 409 P C -0.681 176.495 177.300 -0.207 0.000 1.304 409 P CA -0.720 62.252 63.100 -0.214 0.000 0.767 409 P CB 0.691 31.983 31.700 -0.680 0.000 1.247 410 F N -2.340 117.280 119.950 -0.550 0.000 2.618 410 F HA 0.753 5.280 4.527 0.000 0.000 0.332 410 F C -1.185 174.215 175.800 -0.666 0.000 1.061 410 F CA -1.350 56.394 58.000 -0.428 0.000 0.974 410 F CB 0.966 39.859 39.000 -0.178 0.000 1.310 410 F HN 0.130 nan 8.300 nan 0.000 0.491 411 Y N 1.201 121.527 120.300 0.044 0.000 2.442 411 Y HA 0.600 5.150 4.550 0.000 0.000 0.344 411 Y C -0.526 175.388 175.900 0.024 0.000 0.976 411 Y CA -1.188 56.869 58.100 -0.072 0.000 1.040 411 Y CB 2.034 40.464 38.460 -0.051 0.000 1.228 411 Y HN 0.459 nan 8.280 nan 0.000 0.451 412 I N 3.869 124.506 120.570 0.112 0.000 2.307 412 I HA 0.379 4.549 4.170 0.000 0.000 0.289 412 I C 0.733 176.903 176.117 0.088 0.000 1.021 412 I CA -0.266 61.101 61.300 0.113 0.000 1.224 412 I CB 1.291 39.330 38.000 0.065 0.000 1.376 412 I HN 0.722 nan 8.210 nan 0.000 0.470 413 R N 3.581 124.026 120.500 -0.091 0.000 2.189 413 R HA 0.188 4.528 4.340 0.000 0.000 0.203 413 R C 0.105 175.979 176.300 -0.709 0.000 1.012 413 R CA 0.467 56.300 56.100 -0.443 0.000 1.015 413 R CB 0.291 30.163 30.300 -0.714 0.000 0.938 413 R HN 0.589 nan 8.270 nan 0.000 0.472 414 H N -0.340 118.687 119.070 -0.072 0.000 2.865 414 H HA 0.224 4.780 4.556 0.000 0.000 0.372 414 H C -0.783 174.494 175.328 -0.086 0.000 1.173 414 H CA -1.163 54.760 56.048 -0.210 0.000 1.147 414 H CB 1.452 31.152 29.762 -0.103 0.000 1.805 414 H HN -0.128 nan 8.280 nan 0.000 0.553 415 R N 1.539 122.008 120.500 -0.052 0.000 2.504 415 R HA 0.062 4.402 4.340 0.000 0.000 0.291 415 R C -0.365 176.010 176.300 0.124 0.000 0.974 415 R CA -0.019 56.143 56.100 0.103 0.000 1.077 415 R CB -0.302 30.011 30.300 0.022 0.000 0.926 415 R HN 0.458 nan 8.270 nan 0.000 0.407 416 I N 6.451 127.103 120.570 0.137 0.000 2.406 416 I HA -0.032 4.138 4.170 0.000 0.000 0.293 416 I C 0.576 176.727 176.117 0.057 0.000 1.101 416 I CA -0.205 61.147 61.300 0.088 0.000 1.334 416 I CB 0.981 39.020 38.000 0.065 0.000 1.421 416 I HN 0.616 nan 8.210 nan 0.000 0.513 417 V N 3.812 123.753 119.914 0.045 0.000 2.854 417 V HA 0.032 4.152 4.120 0.000 0.000 0.236 417 V C 0.943 177.042 176.094 0.008 0.000 1.157 417 V CA 0.554 62.873 62.300 0.033 0.000 1.187 417 V CB 0.558 32.406 31.823 0.042 0.000 0.949 417 V HN 0.777 nan 8.190 nan 0.000 0.488 418 S N 0.220 115.915 115.700 -0.010 0.000 2.722 418 S HA 0.427 4.897 4.470 0.000 0.000 0.292 418 S C -1.941 172.563 174.600 -0.161 0.000 1.135 418 S CA -1.236 56.900 58.200 -0.108 0.000 1.003 418 S CB 1.426 64.514 63.200 -0.187 0.000 1.067 418 S HN 0.053 nan 8.310 nan 0.000 0.546 419 P HA 0.011 nan 4.420 nan 0.000 0.218 419 P C 1.502 178.681 177.300 -0.202 0.000 1.149 419 P CA 1.749 64.730 63.100 -0.198 0.000 0.817 419 P CB -0.253 31.314 31.700 -0.221 0.000 0.785 420 A N 0.096 122.721 122.820 -0.325 0.000 1.902 420 A HA -0.222 4.098 4.320 0.000 0.000 0.217 420 A C 1.968 179.514 177.584 -0.062 0.000 1.181 420 A CA 1.986 53.905 52.037 -0.197 0.000 0.623 420 A CB -1.379 17.488 19.000 -0.222 0.000 0.818 420 A HN 0.100 nan 8.150 nan 0.000 0.443 421 D N -0.326 120.050 120.400 -0.041 0.000 2.104 421 D HA -0.156 4.484 4.640 0.000 0.000 0.194 421 D C 1.830 178.144 176.300 0.023 0.000 0.994 421 D CA 1.490 55.507 54.000 0.030 0.000 0.830 421 D CB -0.456 40.374 40.800 0.049 0.000 0.959 421 D HN 0.383 nan 8.370 nan 0.000 0.452 422 L N 0.812 122.030 121.223 -0.008 0.000 2.093 422 L HA -0.023 4.317 4.340 0.000 0.000 0.208 422 L C 2.130 179.000 176.870 0.000 0.000 1.085 422 L CA 1.141 55.980 54.840 -0.001 0.000 0.755 422 L CB -0.462 41.590 42.059 -0.012 0.000 0.904 422 L HN -0.041 nan 8.230 nan 0.000 0.435 423 I N -1.007 119.553 120.570 -0.015 0.000 2.286 423 I HA -0.277 3.893 4.170 0.000 0.000 0.248 423 I C 2.317 178.452 176.117 0.029 0.000 1.115 423 I CA 1.034 62.334 61.300 -0.000 0.000 1.392 423 I CB -0.363 37.623 38.000 -0.022 0.000 1.065 423 I HN 0.344 nan 8.210 nan 0.000 0.418 424 L N 0.413 121.655 121.223 0.031 0.000 2.017 424 L HA -0.147 4.193 4.340 0.000 0.000 0.208 424 L C 2.421 179.318 176.870 0.043 0.000 1.073 424 L CA 1.819 56.688 54.840 0.047 0.000 0.745 424 L CB -0.545 41.555 42.059 0.068 0.000 0.894 424 L HN -0.024 nan 8.230 nan 0.000 0.432 425 V N -0.191 119.754 119.914 0.052 0.000 2.287 425 V HA -0.321 3.800 4.120 0.000 0.000 0.248 425 V C 2.619 178.730 176.094 0.028 0.000 1.053 425 V CA 2.149 64.479 62.300 0.050 0.000 1.027 425 V CB -0.642 31.221 31.823 0.067 0.000 0.646 425 V HN 0.454 nan 8.190 nan 0.000 0.447 426 L N 0.081 121.351 121.223 0.079 0.000 2.083 426 L HA -0.165 4.175 4.340 0.000 0.000 0.209 426 L C 2.466 179.535 176.870 0.333 0.000 1.083 426 L CA 1.431 56.395 54.840 0.206 0.000 0.752 426 L CB -0.736 41.371 42.059 0.080 0.000 0.899 426 L HN 0.376 nan 8.230 nan 0.000 0.433 427 N N 0.140 118.946 118.700 0.177 0.000 2.120 427 N HA -0.159 4.581 4.740 0.000 0.000 0.188 427 N C 1.610 177.138 175.510 0.031 0.000 1.024 427 N CA 1.096 54.214 53.050 0.113 0.000 0.852 427 N CB -0.461 38.046 38.487 0.033 0.000 1.003 427 N HN 0.289 nan 8.380 nan 0.000 0.424 428 N N 1.075 119.709 118.700 -0.109 0.000 2.166 428 N HA -0.091 4.649 4.740 0.000 0.000 0.186 428 N C 1.804 176.918 175.510 -0.660 0.000 1.019 428 N CA 0.284 53.119 53.050 -0.358 0.000 0.856 428 N CB -0.441 37.776 38.487 -0.450 0.000 0.993 428 N HN 0.259 nan 8.380 nan 0.000 0.426 429 L N -0.143 120.733 121.223 -0.579 0.000 2.017 429 L HA -0.232 4.108 4.340 0.000 0.000 0.208 429 L C 2.226 179.146 176.870 0.083 0.000 1.073 429 L CA 1.488 56.192 54.840 -0.227 0.000 0.745 429 L CB -0.469 41.733 42.059 0.238 0.000 0.894 429 L HN 0.174 nan 8.230 nan 0.000 0.432 430 Y N 0.923 121.199 120.300 -0.040 0.000 2.081 430 Y HA -0.361 4.189 4.550 0.000 0.000 0.280 430 Y C 2.811 178.452 175.900 -0.432 0.000 1.163 430 Y CA 2.090 59.899 58.100 -0.486 0.000 1.135 430 Y CB -0.160 38.147 38.460 -0.255 0.000 0.970 430 Y HN 0.092 nan 8.280 nan 0.000 0.498 431 R N -1.291 119.270 120.500 0.101 0.000 2.096 431 R HA -0.239 4.101 4.340 0.000 0.000 0.235 431 R C 2.111 178.400 176.300 -0.017 0.000 1.127 431 R CA 1.751 57.884 56.100 0.055 0.000 0.968 431 R CB -0.947 29.405 30.300 0.087 0.000 0.861 431 R HN 0.592 nan 8.270 nan 0.000 0.440 432 W N 0.827 122.029 121.300 -0.163 0.000 2.402 432 W HA -0.054 4.606 4.660 0.000 0.000 0.286 432 W C 1.785 178.249 176.519 -0.092 0.000 1.221 432 W CA 1.536 58.842 57.345 -0.065 0.000 1.257 432 W CB 0.111 29.612 29.460 0.068 0.000 1.120 432 W HN 0.042 nan 8.180 nan 0.000 0.551 433 A N -0.541 122.281 122.820 0.003 0.000 2.390 433 A HA 0.242 4.562 4.320 0.000 0.000 0.232 433 A C 0.699 178.041 177.584 -0.404 0.000 1.233 433 A CA 0.749 52.741 52.037 -0.075 0.000 0.907 433 A CB -0.847 18.392 19.000 0.399 0.000 0.967 433 A HN 0.111 nan 8.150 nan 0.000 0.512 434 T N -1.746 112.408 114.554 -0.667 0.000 2.945 434 T HA 0.734 5.084 4.350 0.000 0.000 0.286 434 T C -0.455 173.984 174.700 -0.435 0.000 1.025 434 T CA -0.577 61.079 62.100 -0.740 0.000 1.039 434 T CB 1.528 69.657 68.868 -1.231 0.000 1.068 434 T HN 0.110 nan 8.240 nan 0.000 0.497 435 I N 1.790 122.159 120.570 -0.336 0.000 2.439 435 I HA 0.295 4.465 4.170 0.000 0.000 0.283 435 I C -0.328 175.681 176.117 -0.179 0.000 1.023 435 I CA -0.399 60.773 61.300 -0.213 0.000 1.100 435 I CB 1.346 39.255 38.000 -0.152 0.000 1.238 435 I HN 0.781 nan 8.210 nan 0.000 0.445 436 D N 5.365 125.679 120.400 -0.143 0.000 2.723 436 D HA -0.179 4.461 4.640 0.000 0.000 0.236 436 D C 1.144 177.381 176.300 -0.105 0.000 1.138 436 D CA 1.650 55.595 54.000 -0.092 0.000 0.676 436 D CB -0.700 40.062 40.800 -0.064 0.000 1.069 436 D HN 1.106 nan 8.370 nan 0.000 0.430 437 G N -2.002 106.695 108.800 -0.171 0.000 2.189 437 G HA2 -0.296 3.664 3.960 0.000 0.000 0.267 437 G HA3 -0.296 3.664 3.960 0.000 0.000 0.267 437 G C 0.412 175.157 174.900 -0.259 0.000 0.975 437 G CA 0.425 45.419 45.100 -0.176 0.000 0.644 437 G HN 0.868 nan 8.290 nan 0.000 0.537 438 V N 0.189 119.942 119.914 -0.269 0.000 2.394 438 V HA 0.597 4.717 4.120 0.000 0.000 0.282 438 V C 0.345 176.264 176.094 -0.293 0.000 1.031 438 V CA -0.908 61.273 62.300 -0.197 0.000 0.881 438 V CB 1.144 32.909 31.823 -0.097 0.000 0.982 438 V HN 0.288 nan 8.190 nan 0.000 0.451 439 W N 2.512 123.616 121.300 -0.327 0.000 2.238 439 W HA 0.248 4.908 4.660 0.000 0.000 0.321 439 W C 0.707 177.106 176.519 -0.200 0.000 1.293 439 W CA -0.062 57.058 57.345 -0.374 0.000 1.204 439 W CB 0.458 29.526 29.460 -0.653 0.000 1.167 439 W HN 0.515 nan 8.180 nan 0.000 0.553 440 D N 4.836 125.316 120.400 0.133 0.000 2.382 440 D HA 0.009 4.649 4.640 0.000 0.000 0.259 440 D C -1.371 175.050 176.300 0.202 0.000 1.224 440 D CA -1.333 52.748 54.000 0.135 0.000 0.894 440 D CB 1.472 42.360 40.800 0.147 0.000 1.127 440 D HN 0.058 nan 8.370 nan 0.000 0.487 441 P HA -0.119 nan 4.420 nan 0.000 0.217 441 P C 1.185 178.512 177.300 0.046 0.000 1.148 441 P CA 1.130 64.288 63.100 0.096 0.000 0.828 441 P CB 0.250 31.971 31.700 0.035 0.000 0.783 442 R N -0.443 120.014 120.500 -0.071 0.000 2.081 442 R HA -0.043 4.298 4.340 0.000 0.000 0.235 442 R C 2.256 178.561 176.300 0.008 0.000 1.131 442 R CA 1.636 57.600 56.100 -0.227 0.000 0.960 442 R CB -0.951 28.862 30.300 -0.811 0.000 0.856 442 R HN 0.169 nan 8.270 nan 0.000 0.436 443 A N -0.248 122.732 122.820 0.266 0.000 2.021 443 A HA -0.095 4.225 4.320 0.000 0.000 0.216 443 A C 1.786 179.561 177.584 0.318 0.000 1.163 443 A CA 0.754 53.103 52.037 0.520 0.000 0.676 443 A CB -0.580 18.918 19.000 0.830 0.000 0.818 443 A HN 0.394 nan 8.150 nan 0.000 0.453 444 H N 0.847 119.912 119.070 -0.008 0.000 2.353 444 H HA -0.172 4.384 4.556 0.000 0.000 0.298 444 H C 2.554 177.720 175.328 -0.269 0.000 1.103 444 H CA 1.643 57.364 56.048 -0.545 0.000 1.293 444 H CB 0.261 29.721 29.762 -0.504 0.000 1.372 444 H HN 0.657 nan 8.280 nan 0.000 0.501 445 S N -0.229 115.440 115.700 -0.052 0.000 2.382 445 S HA -0.121 4.349 4.470 0.000 0.000 0.228 445 S C 2.219 176.812 174.600 -0.011 0.000 1.027 445 S CA 1.318 59.464 58.200 -0.091 0.000 0.991 445 S CB -0.739 62.431 63.200 -0.049 0.000 0.823 445 S HN 0.193 nan 8.310 nan 0.000 0.469 446 V N 0.661 120.638 119.914 0.105 0.000 2.453 446 V HA -0.086 4.034 4.120 0.000 0.000 0.247 446 V C 2.197 178.454 176.094 0.272 0.000 1.048 446 V CA 1.728 64.159 62.300 0.219 0.000 1.049 446 V CB -1.054 30.931 31.823 0.269 0.000 0.672 446 V HN 0.587 nan 8.190 nan 0.000 0.457 447 Y N 0.800 121.137 120.300 0.063 0.000 2.097 447 Y HA -0.264 4.286 4.550 0.000 0.000 0.282 447 Y C 2.236 178.133 175.900 -0.006 0.000 1.152 447 Y CA 1.901 60.028 58.100 0.044 0.000 1.136 447 Y CB -0.247 38.110 38.460 -0.172 0.000 0.975 447 Y HN 0.136 nan 8.280 nan 0.000 0.498 448 L N 0.431 121.656 121.223 0.003 0.000 2.083 448 L HA -0.239 4.101 4.340 0.000 0.000 0.209 448 L C 2.612 179.394 176.870 -0.147 0.000 1.083 448 L CA 1.931 56.701 54.840 -0.118 0.000 0.752 448 L CB -0.650 41.279 42.059 -0.216 0.000 0.899 448 L HN 0.215 nan 8.230 nan 0.000 0.433 449 K N -0.052 120.267 120.400 -0.136 0.000 2.032 449 K HA -0.225 4.095 4.320 0.000 0.000 0.209 449 K C 2.091 178.484 176.600 -0.345 0.000 1.048 449 K CA 1.843 57.981 56.287 -0.248 0.000 0.927 449 K CB -0.240 32.083 32.500 -0.295 0.000 0.712 449 K HN 0.173 nan 8.250 nan 0.000 0.441 450 Y N 0.323 120.560 120.300 -0.106 0.000 2.475 450 Y HA 0.064 4.614 4.550 0.000 0.000 0.289 450 Y C 2.373 178.181 175.900 -0.153 0.000 1.121 450 Y CA 0.775 58.813 58.100 -0.104 0.000 1.257 450 Y CB -0.008 38.412 38.460 -0.068 0.000 1.026 450 Y HN 0.085 nan 8.280 nan 0.000 0.555 451 R N 1.153 121.568 120.500 -0.141 0.000 2.159 451 R HA -0.186 4.154 4.340 0.000 0.000 0.237 451 R C 1.675 177.908 176.300 -0.112 0.000 1.131 451 R CA 1.490 57.474 56.100 -0.194 0.000 0.982 451 R CB -0.069 30.048 30.300 -0.306 0.000 0.868 451 R HN 0.232 nan 8.270 nan 0.000 0.453 452 K N 0.172 120.503 120.400 -0.116 0.000 2.360 452 K HA -0.073 4.247 4.320 0.000 0.000 0.201 452 K C 1.720 178.276 176.600 -0.074 0.000 1.046 452 K CA 0.800 57.030 56.287 -0.095 0.000 0.945 452 K CB 0.036 32.467 32.500 -0.116 0.000 0.750 452 K HN 0.272 nan 8.250 nan 0.000 0.464 453 L N 0.924 122.110 121.223 -0.062 0.000 2.376 453 L HA -0.021 4.319 4.340 0.000 0.000 0.219 453 L C 0.762 177.612 176.870 -0.033 0.000 1.133 453 L CA 0.229 55.049 54.840 -0.034 0.000 0.816 453 L CB -0.291 41.775 42.059 0.012 0.000 0.933 453 L HN 0.134 nan 8.230 nan 0.000 0.449 454 L N 0.408 121.606 121.223 -0.043 0.000 2.417 454 L HA 0.199 4.539 4.340 0.000 0.000 0.268 454 L C -1.929 174.916 176.870 -0.043 0.000 1.158 454 L CA -1.974 52.837 54.840 -0.048 0.000 0.819 454 L CB 0.024 42.050 42.059 -0.054 0.000 1.112 454 L HN -0.220 nan 8.230 nan 0.000 0.458 455 P HA -0.001 nan 4.420 nan 0.000 0.265 455 P C -0.034 177.251 177.300 -0.024 0.000 1.187 455 P CA 0.029 63.106 63.100 -0.040 0.000 0.766 455 P CB 0.491 32.158 31.700 -0.056 0.000 0.820 456 K N 1.839 122.236 120.400 -0.004 0.000 2.059 456 K HA -0.270 4.050 4.320 0.000 0.000 0.212 456 K C 1.882 178.518 176.600 0.059 0.000 1.050 456 K CA 1.931 58.231 56.287 0.023 0.000 0.927 456 K CB -0.281 32.238 32.500 0.032 0.000 0.714 456 K HN 0.480 nan 8.250 nan 0.000 0.447 457 Q N 0.639 120.473 119.800 0.057 0.000 2.170 457 Q HA -0.067 4.273 4.340 0.000 0.000 0.203 457 Q C 1.854 177.856 176.000 0.004 0.000 0.976 457 Q CA 1.088 56.951 55.803 0.100 0.000 0.858 457 Q CB -0.047 28.663 28.738 -0.047 0.000 0.907 457 Q HN 0.303 nan 8.270 nan 0.000 0.433 458 L N 0.180 121.370 121.223 -0.055 0.000 2.554 458 L HA -0.059 4.281 4.340 0.000 0.000 0.226 458 L C 1.847 178.714 176.870 -0.004 0.000 1.137 458 L CA 0.442 55.239 54.840 -0.072 0.000 0.863 458 L CB -0.170 41.827 42.059 -0.103 0.000 0.985 458 L HN 0.272 nan 8.230 nan 0.000 0.451 459 Q N -0.098 119.720 119.800 0.030 0.000 2.245 459 Q HA -0.080 4.260 4.340 0.000 0.000 0.201 459 Q C 1.830 177.890 176.000 0.099 0.000 0.955 459 Q CA 0.900 56.729 55.803 0.043 0.000 0.870 459 Q CB 0.204 28.959 28.738 0.028 0.000 0.945 459 Q HN 0.369 nan 8.270 nan 0.000 0.461 460 R N -0.053 120.544 120.500 0.162 0.000 2.308 460 R HA 0.077 4.417 4.340 0.000 0.000 0.202 460 R C 0.031 176.493 176.300 0.270 0.000 0.898 460 R CA -0.064 56.160 56.100 0.207 0.000 1.046 460 R CB 0.412 30.844 30.300 0.221 0.000 1.026 460 R HN -0.004 nan 8.270 nan 0.000 0.512 461 N N 1.360 120.213 118.700 0.255 0.000 2.482 461 N HA 0.014 4.755 4.740 0.000 0.000 0.242 461 N C -1.122 174.454 175.510 0.109 0.000 1.100 461 N CA -0.042 53.145 53.050 0.228 0.000 0.946 461 N CB 0.597 39.077 38.487 -0.011 0.000 1.227 461 N HN 0.019 nan 8.380 nan 0.000 0.508 462 T N 1.162 115.784 114.554 0.112 0.000 2.918 462 T HA 0.687 5.037 4.350 0.000 0.000 0.286 462 T C 0.414 175.124 174.700 0.017 0.000 1.026 462 T CA -0.948 61.189 62.100 0.062 0.000 1.031 462 T CB 0.968 69.883 68.868 0.078 0.000 1.046 462 T HN 0.370 nan 8.240 nan 0.000 0.479 463 I N -1.830 118.729 120.570 -0.018 0.000 3.042 463 I HA 0.755 4.925 4.170 0.000 0.000 0.310 463 I C -3.151 172.937 176.117 -0.048 0.000 1.117 463 I CA -3.504 57.757 61.300 -0.065 0.000 1.003 463 I CB 2.183 40.144 38.000 -0.065 0.000 1.228 463 I HN 0.344 nan 8.210 nan 0.000 0.443 464 P HA 0.159 nan 4.420 nan 0.000 0.274 464 P C -1.048 176.338 177.300 0.143 0.000 1.256 464 P CA -0.113 63.020 63.100 0.056 0.000 0.795 464 P CB 0.441 32.208 31.700 0.110 0.000 1.038 465 D N -0.350 120.100 120.400 0.083 0.000 2.399 465 D HA 0.274 4.914 4.640 0.000 0.000 0.241 465 D C 1.396 177.757 176.300 0.102 0.000 1.133 465 D CA 1.671 55.706 54.000 0.059 0.000 0.890 465 D CB -0.053 40.769 40.800 0.037 0.000 1.201 465 D HN 0.662 nan 8.370 nan 0.000 0.432 466 G N 2.173 110.992 108.800 0.031 0.000 2.157 466 G HA2 -0.292 3.668 3.960 0.000 0.000 0.239 466 G HA3 -0.292 3.668 3.960 0.000 0.000 0.239 466 G C 0.477 175.235 174.900 -0.237 0.000 0.982 466 G CA 0.262 45.303 45.100 -0.098 0.000 0.650 466 G HN 0.513 nan 8.290 nan 0.000 0.527 467 Y N 0.983 121.281 120.300 -0.002 0.000 2.636 467 Y HA 0.461 5.012 4.550 0.000 0.000 0.260 467 Y C 1.655 177.559 175.900 0.006 0.000 1.177 467 Y CA 0.710 58.813 58.100 0.005 0.000 1.209 467 Y CB 0.737 39.199 38.460 0.003 0.000 1.166 467 Y HN 1.085 nan 8.280 nan 0.000 0.531 468 G N 0.482 109.337 108.800 0.091 0.000 2.615 468 G HA2 -0.229 3.731 3.960 0.000 0.000 0.218 468 G HA3 -0.229 3.731 3.960 0.000 0.000 0.218 468 G C -0.326 174.611 174.900 0.062 0.000 1.339 468 G CA -0.077 45.064 45.100 0.070 0.000 0.884 468 G HN 0.236 nan 8.290 nan 0.000 0.559 469 D N 0.571 121.003 120.400 0.053 0.000 2.650 469 D HA 0.314 4.954 4.640 0.000 0.000 0.265 469 D C 1.639 177.958 176.300 0.031 0.000 1.339 469 D CA 0.649 54.672 54.000 0.039 0.000 0.816 469 D CB 0.256 41.082 40.800 0.043 0.000 1.091 469 D HN 0.774 nan 8.370 nan 0.000 0.483 470 G N 0.351 109.170 108.800 0.031 0.000 2.920 470 G HA2 0.355 4.316 3.960 0.000 0.000 0.208 470 G HA3 0.355 4.316 3.960 0.000 0.000 0.208 470 G C 0.594 175.481 174.900 -0.021 0.000 1.159 470 G CA 0.376 45.483 45.100 0.012 0.000 0.784 470 G HN 0.354 nan 8.290 nan 0.000 0.535 471 A N -0.876 121.937 122.820 -0.012 0.000 2.599 471 A HA 0.617 4.937 4.320 0.000 0.000 0.290 471 A C -1.435 176.148 177.584 -0.002 0.000 1.101 471 A CA -0.678 51.346 52.037 -0.022 0.000 0.674 471 A CB 0.815 19.799 19.000 -0.027 0.000 1.277 471 A HN 0.037 nan 8.150 nan 0.000 0.419 472 L N 1.122 122.353 121.223 0.014 0.000 2.455 472 L HA 0.249 4.589 4.340 0.000 0.000 0.272 472 L C 0.379 177.242 176.870 -0.011 0.000 1.174 472 L CA 0.199 55.066 54.840 0.045 0.000 0.869 472 L CB 0.685 42.812 42.059 0.113 0.000 1.130 472 L HN 0.443 nan 8.230 nan 0.000 0.474 473 V N 4.898 124.741 119.914 -0.117 0.000 2.529 473 V HA 0.556 4.677 4.120 0.000 0.000 0.292 473 V C 0.861 176.751 176.094 -0.339 0.000 1.028 473 V CA 0.839 62.948 62.300 -0.318 0.000 1.074 473 V CB 0.219 31.637 31.823 -0.675 0.000 0.958 473 V HN 1.036 nan 8.190 nan 0.000 0.481 474 G N 3.523 112.229 108.800 -0.157 0.000 2.529 474 G HA2 0.405 4.365 3.960 0.000 0.000 0.238 474 G HA3 0.405 4.365 3.960 0.000 0.000 0.238 474 G C -0.710 174.216 174.900 0.043 0.000 1.207 474 G CA 0.169 45.276 45.100 0.011 0.000 0.928 474 G HN 0.763 nan 8.290 nan 0.000 0.495 475 S N -0.463 115.287 115.700 0.083 0.000 2.452 475 S HA 0.378 4.848 4.470 0.000 0.000 0.284 475 S C 1.098 175.724 174.600 0.043 0.000 1.171 475 S CA 0.150 58.388 58.200 0.063 0.000 1.064 475 S CB 1.441 64.687 63.200 0.076 0.000 0.967 475 S HN 1.340 nan 8.310 nan 0.000 0.484 476 V N 6.286 126.210 119.914 0.017 0.000 3.041 476 V HA 0.069 4.190 4.120 0.000 0.000 0.260 476 V C 1.593 177.696 176.094 0.015 0.000 1.105 476 V CA 1.441 63.742 62.300 0.002 0.000 1.125 476 V CB -0.552 31.242 31.823 -0.048 0.000 0.730 476 V HN 0.943 nan 8.190 nan 0.000 0.479 477 L N 0.124 121.360 121.223 0.022 0.000 2.478 477 L HA 0.078 4.418 4.340 0.000 0.000 0.223 477 L C 1.938 178.821 176.870 0.021 0.000 1.140 477 L CA 1.158 56.012 54.840 0.023 0.000 0.842 477 L CB -0.194 41.882 42.059 0.028 0.000 0.953 477 L HN 0.457 nan 8.230 nan 0.000 0.452 478 I N -4.396 116.190 120.570 0.027 0.000 3.976 478 I HA 0.171 4.341 4.170 0.000 0.000 0.337 478 I C 0.649 176.771 176.117 0.007 0.000 1.359 478 I CA -0.301 61.010 61.300 0.019 0.000 1.098 478 I CB -0.105 37.915 38.000 0.034 0.000 1.027 478 I HN 0.029 nan 8.210 nan 0.000 0.394 479 N N 4.575 123.287 118.700 0.021 0.000 2.416 479 N HA 0.140 4.880 4.740 0.000 0.000 0.265 479 N C -1.332 174.149 175.510 -0.047 0.000 1.195 479 N CA -1.857 51.212 53.050 0.032 0.000 0.943 479 N CB 0.972 39.514 38.487 0.092 0.000 1.115 479 N HN 0.148 nan 8.380 nan 0.000 0.481 480 P HA -0.061 nan 4.420 nan 0.000 0.226 480 P C 0.568 177.620 177.300 -0.413 0.000 1.153 480 P CA 1.013 63.888 63.100 -0.375 0.000 0.777 480 P CB 0.009 31.356 31.700 -0.588 0.000 0.794 481 F N 0.224 120.202 119.950 0.048 0.000 2.698 481 F HA 0.308 4.835 4.527 0.000 0.000 0.295 481 F C 1.712 177.584 175.800 0.120 0.000 1.124 481 F CA -0.422 57.626 58.000 0.080 0.000 1.426 481 F CB -1.070 37.968 39.000 0.064 0.000 1.120 481 F HN -0.163 nan 8.300 nan 0.000 0.583 482 A N 1.384 124.331 122.820 0.212 0.000 2.445 482 A HA 0.424 4.744 4.320 0.000 0.000 0.242 482 A C 0.140 177.802 177.584 0.130 0.000 1.075 482 A CA -0.086 52.053 52.037 0.170 0.000 0.777 482 A CB 0.041 19.096 19.000 0.091 0.000 1.013 482 A HN 0.343 nan 8.150 nan 0.000 0.493 483 K N 1.899 122.386 120.400 0.145 0.000 2.565 483 K HA 0.231 4.551 4.320 0.000 0.000 0.249 483 K C -1.331 175.325 176.600 0.092 0.000 0.958 483 K CA -0.685 55.656 56.287 0.090 0.000 0.806 483 K CB 1.686 34.228 32.500 0.071 0.000 1.194 483 K HN 0.623 nan 8.250 nan 0.000 0.434 484 N N 2.883 121.593 118.700 0.017 0.000 2.402 484 N HA 0.102 4.842 4.740 0.000 0.000 0.252 484 N C -1.063 174.403 175.510 -0.072 0.000 1.118 484 N CA -0.262 52.775 53.050 -0.022 0.000 0.945 484 N CB 0.501 38.949 38.487 -0.066 0.000 1.147 484 N HN 0.303 nan 8.380 nan 0.000 0.495 485 R N 2.136 122.660 120.500 0.040 0.000 2.393 485 R HA 0.418 4.758 4.340 0.000 0.000 0.315 485 R C 0.511 176.809 176.300 -0.005 0.000 0.952 485 R CA -0.734 55.365 56.100 -0.002 0.000 0.842 485 R CB 0.749 31.087 30.300 0.063 0.000 1.163 485 R HN 0.707 nan 8.270 nan 0.000 0.450 486 G N 2.214 110.900 108.800 -0.189 0.000 2.305 486 G HA2 -0.294 3.666 3.960 0.000 0.000 0.287 486 G HA3 -0.294 3.666 3.960 0.000 0.000 0.287 486 G C 0.023 174.924 174.900 0.001 0.000 1.036 486 G CA 0.652 45.670 45.100 -0.135 0.000 0.887 486 G HN 0.901 nan 8.290 nan 0.000 0.505 487 W N -3.569 117.758 121.300 0.045 0.000 3.160 487 W HA -0.199 4.461 4.660 0.000 0.000 0.299 487 W C 0.654 177.168 176.519 -0.010 0.000 1.141 487 W CA 0.129 57.485 57.345 0.018 0.000 0.612 487 W CB -2.057 27.412 29.460 0.015 0.000 2.186 487 W HN 0.465 nan 8.180 nan 0.000 1.364 488 I N 0.420 121.041 120.570 0.085 0.000 2.433 488 I HA 0.328 4.498 4.170 0.000 0.000 0.292 488 I C 0.721 176.686 176.117 -0.253 0.000 1.001 488 I CA -1.051 60.187 61.300 -0.104 0.000 1.119 488 I CB 1.547 39.428 38.000 -0.199 0.000 1.289 488 I HN -0.104 nan 8.210 nan 0.000 0.438 489 R N 5.526 125.869 120.500 -0.262 0.000 2.265 489 R HA 0.402 4.742 4.340 0.000 0.000 0.314 489 R C -1.730 174.371 176.300 -0.331 0.000 1.053 489 R CA -0.204 55.786 56.100 -0.185 0.000 0.931 489 R CB 0.571 30.821 30.300 -0.084 0.000 1.024 489 R HN 0.439 nan 8.270 nan 0.000 0.457 490 Y N 2.855 123.186 120.300 0.052 0.000 2.377 490 Y HA 0.438 4.988 4.550 0.000 0.000 0.339 490 Y C -0.301 175.716 175.900 0.196 0.000 1.011 490 Y CA -0.726 57.443 58.100 0.115 0.000 1.093 490 Y CB 2.206 40.732 38.460 0.110 0.000 1.201 490 Y HN 0.192 nan 8.280 nan 0.000 0.455 491 V N 5.224 125.321 119.914 0.305 0.000 2.656 491 V HA 0.470 4.590 4.120 0.000 0.000 0.307 491 V C -2.435 173.659 176.094 -0.000 0.000 1.051 491 V CA -2.359 60.042 62.300 0.168 0.000 0.893 491 V CB 2.319 34.149 31.823 0.012 0.000 0.999 491 V HN 0.549 nan 8.190 nan 0.000 0.426 492 P HA 0.353 nan 4.420 nan 0.000 0.281 492 P C -0.893 176.227 177.300 -0.299 0.000 1.252 492 P CA -0.049 62.654 63.100 -0.661 0.000 0.778 492 P CB 1.566 32.776 31.700 -0.817 0.000 0.895 493 V N 1.474 121.249 119.914 -0.231 0.000 2.962 493 V HA 0.540 4.660 4.120 0.000 0.000 0.313 493 V C 0.013 176.053 176.094 -0.090 0.000 1.099 493 V CA -1.360 60.869 62.300 -0.118 0.000 0.971 493 V CB 1.892 33.692 31.823 -0.038 0.000 1.028 493 V HN 0.292 nan 8.190 nan 0.000 0.430 494 I N 3.476 124.014 120.570 -0.053 0.000 2.496 494 I HA 0.490 4.660 4.170 0.000 0.000 0.285 494 I C 0.745 176.906 176.117 0.073 0.000 1.080 494 I CA 0.473 61.774 61.300 0.002 0.000 1.404 494 I CB 1.416 39.398 38.000 -0.029 0.000 1.403 494 I HN 1.063 nan 8.210 nan 0.000 0.539 495 T N 0.952 115.578 114.554 0.120 0.000 2.887 495 T HA 0.358 4.708 4.350 0.000 0.000 0.292 495 T C -0.671 174.118 174.700 0.148 0.000 1.087 495 T CA -1.103 61.069 62.100 0.119 0.000 1.009 495 T CB 1.795 70.702 68.868 0.065 0.000 1.203 495 T HN 0.275 nan 8.240 nan 0.000 0.518 496 D N 1.573 122.007 120.400 0.057 0.000 2.383 496 D HA 0.187 4.827 4.640 0.000 0.000 0.252 496 D C -0.026 176.251 176.300 -0.039 0.000 1.166 496 D CA 0.293 54.257 54.000 -0.060 0.000 0.879 496 D CB 0.356 41.100 40.800 -0.093 0.000 1.164 496 D HN 0.745 nan 8.370 nan 0.000 0.462 497 H N 0.693 119.672 119.070 -0.152 0.000 2.803 497 H HA 0.311 4.867 4.556 0.000 0.000 0.330 497 H C -0.163 175.106 175.328 -0.098 0.000 1.057 497 H CA -0.058 55.932 56.048 -0.096 0.000 1.458 497 H CB 0.503 30.207 29.762 -0.097 0.000 1.470 497 H HN 0.308 nan 8.280 nan 0.000 0.560 498 T N 3.283 117.437 114.554 -0.667 0.000 2.901 498 T HA 0.609 4.959 4.350 0.000 0.000 0.293 498 T C -0.567 173.841 174.700 -0.486 0.000 1.084 498 T CA -1.358 60.477 62.100 -0.443 0.000 1.008 498 T CB 1.730 70.461 68.868 -0.229 0.000 1.170 498 T HN 0.512 nan 8.240 nan 0.000 0.509 499 R N 1.524 121.870 120.500 -0.256 0.000 2.599 499 R HA 0.453 4.793 4.340 0.000 0.000 0.295 499 R C -1.137 175.100 176.300 -0.106 0.000 0.963 499 R CA -0.761 55.245 56.100 -0.155 0.000 0.883 499 R CB 1.491 31.738 30.300 -0.087 0.000 1.171 499 R HN 0.742 nan 8.270 nan 0.000 0.450 500 D N 2.157 122.510 120.400 -0.078 0.000 2.414 500 D HA 0.149 4.789 4.640 0.000 0.000 0.242 500 D C 0.351 176.627 176.300 -0.040 0.000 1.129 500 D CA 0.381 54.348 54.000 -0.056 0.000 0.885 500 D CB 0.972 41.747 40.800 -0.041 0.000 1.198 500 D HN 0.106 nan 8.370 nan 0.000 0.437 501 R N 0.616 121.097 120.500 -0.031 0.000 2.873 501 R HA 0.305 4.645 4.340 0.000 0.000 0.264 501 R C 0.060 176.370 176.300 0.017 0.000 1.026 501 R CA -0.947 55.151 56.100 -0.003 0.000 1.002 501 R CB 1.497 31.797 30.300 0.001 0.000 1.174 501 R HN 0.487 nan 8.270 nan 0.000 0.488 502 E N 2.744 122.973 120.200 0.047 0.000 2.313 502 E HA 0.129 4.479 4.350 0.000 0.000 0.276 502 E C -0.642 176.001 176.600 0.072 0.000 1.031 502 E CA -0.762 55.665 56.400 0.045 0.000 0.857 502 E CB 0.998 30.728 29.700 0.050 0.000 1.040 502 E HN 0.468 nan 8.360 nan 0.000 0.408 503 R N 1.910 122.405 120.500 -0.007 0.000 2.490 503 R HA 0.430 4.770 4.340 0.000 0.000 0.278 503 R C -0.441 175.821 176.300 -0.063 0.000 1.069 503 R CA -0.402 55.634 56.100 -0.107 0.000 1.080 503 R CB 0.758 30.957 30.300 -0.167 0.000 1.030 503 R HN 0.526 nan 8.270 nan 0.000 0.491 504 A N 2.507 125.233 122.820 -0.156 0.000 2.484 504 A HA 0.012 4.332 4.320 0.000 0.000 0.268 504 A C 0.823 178.378 177.584 -0.049 0.000 1.114 504 A CA -0.337 51.675 52.037 -0.043 0.000 0.780 504 A CB 0.293 19.271 19.000 -0.036 0.000 1.061 504 A HN 0.973 nan 8.150 nan 0.000 0.505 505 E N 2.206 122.407 120.200 0.001 0.000 2.028 505 E HA -0.161 4.189 4.350 0.000 0.000 0.191 505 E C 1.666 178.290 176.600 0.040 0.000 0.988 505 E CA 1.618 58.023 56.400 0.009 0.000 0.799 505 E CB -0.192 29.512 29.700 0.006 0.000 0.755 505 E HN 0.712 nan 8.360 nan 0.000 0.447 506 L N -0.057 121.197 121.223 0.052 0.000 2.056 506 L HA 0.077 4.417 4.340 0.000 0.000 0.207 506 L C 2.116 179.025 176.870 0.065 0.000 1.078 506 L CA 2.351 57.244 54.840 0.088 0.000 0.749 506 L CB -1.061 41.051 42.059 0.087 0.000 0.901 506 L HN 0.221 nan 8.230 nan 0.000 0.433 507 G N -1.254 107.575 108.800 0.048 0.000 2.476 507 G HA2 -0.290 3.670 3.960 0.000 0.000 0.218 507 G HA3 -0.290 3.670 3.960 0.000 0.000 0.218 507 G C 1.582 176.510 174.900 0.046 0.000 1.164 507 G CA 1.009 46.142 45.100 0.056 0.000 0.768 507 G HN 0.489 nan 8.290 nan 0.000 0.560 508 S N -0.458 115.261 115.700 0.032 0.000 2.383 508 S HA -0.097 4.373 4.470 0.000 0.000 0.227 508 S C 1.961 176.630 174.600 0.115 0.000 1.026 508 S CA 1.045 59.300 58.200 0.092 0.000 0.981 508 S CB -0.382 62.840 63.200 0.036 0.000 0.818 508 S HN 0.512 nan 8.310 nan 0.000 0.472 509 Y N 2.065 122.329 120.300 -0.059 0.000 2.181 509 Y HA -0.092 4.458 4.550 0.000 0.000 0.288 509 Y C 1.798 177.567 175.900 -0.218 0.000 1.146 509 Y CA 0.966 59.004 58.100 -0.103 0.000 1.164 509 Y CB -0.465 37.940 38.460 -0.091 0.000 0.982 509 Y HN 0.096 nan 8.280 nan 0.000 0.515 510 L N -0.776 120.166 121.223 -0.468 0.000 2.056 510 L HA -0.193 4.147 4.340 0.000 0.000 0.207 510 L C 2.279 178.668 176.870 -0.802 0.000 1.078 510 L CA 1.708 56.026 54.840 -0.869 0.000 0.749 510 L CB -2.025 39.442 42.059 -0.987 0.000 0.901 510 L HN 0.369 nan 8.230 nan 0.000 0.433 511 Y N 1.151 121.065 120.300 -0.644 0.000 2.114 511 Y HA -0.305 4.245 4.550 0.000 0.000 0.282 511 Y C 2.574 178.425 175.900 -0.081 0.000 1.165 511 Y CA 2.047 60.007 58.100 -0.233 0.000 1.148 511 Y CB -0.532 37.974 38.460 0.076 0.000 0.972 511 Y HN 0.409 nan 8.280 nan 0.000 0.504 512 D N -0.105 120.128 120.400 -0.280 0.000 2.084 512 D HA -0.191 4.450 4.640 0.000 0.000 0.194 512 D C 2.211 178.345 176.300 -0.276 0.000 0.990 512 D CA 1.530 55.345 54.000 -0.307 0.000 0.826 512 D CB -0.404 40.318 40.800 -0.130 0.000 0.971 512 D HN 0.411 nan 8.370 nan 0.000 0.453 513 L N 0.016 121.029 121.223 -0.350 0.000 2.046 513 L HA -0.051 4.289 4.340 0.000 0.000 0.208 513 L C 2.401 179.163 176.870 -0.180 0.000 1.077 513 L CA 1.334 55.988 54.840 -0.310 0.000 0.747 513 L CB -1.105 40.638 42.059 -0.528 0.000 0.896 513 L HN 0.061 nan 8.230 nan 0.000 0.432 514 F N -0.529 119.230 119.950 -0.319 0.000 2.102 514 F HA -0.235 4.292 4.527 0.000 0.000 0.298 514 F C 2.501 178.241 175.800 -0.100 0.000 1.105 514 F CA 1.908 59.816 58.000 -0.154 0.000 1.239 514 F CB -0.400 38.538 39.000 -0.103 0.000 0.991 514 F HN 0.059 nan 8.300 nan 0.000 0.474 515 S N 0.816 116.474 115.700 -0.070 0.000 2.368 515 S HA -0.217 4.253 4.470 0.000 0.000 0.225 515 S C 1.906 176.384 174.600 -0.204 0.000 1.030 515 S CA 1.515 59.618 58.200 -0.162 0.000 0.999 515 S CB -0.497 62.538 63.200 -0.274 0.000 0.844 515 S HN 0.572 nan 8.310 nan 0.000 0.459 516 R N 0.143 120.532 120.500 -0.185 0.000 2.275 516 R HA 0.178 4.518 4.340 0.000 0.000 0.199 516 R C 1.427 177.645 176.300 -0.137 0.000 0.989 516 R CA 0.983 56.999 56.100 -0.140 0.000 1.016 516 R CB -0.676 29.560 30.300 -0.107 0.000 0.918 516 R HN 0.324 nan 8.270 nan 0.000 0.473 517 C N 1.079 120.272 119.300 -0.179 0.000 2.735 517 C HA 0.210 4.670 4.460 0.000 0.000 0.271 517 C C 1.956 176.810 174.990 -0.226 0.000 1.281 517 C CA -0.596 58.326 59.018 -0.160 0.000 1.719 517 C CB -0.212 27.460 27.740 -0.114 0.000 2.024 517 C HN 0.627 nan 8.230 nan 0.000 0.566 518 L N 0.518 121.530 121.223 -0.353 0.000 2.465 518 L HA 0.189 4.529 4.340 0.000 0.000 0.224 518 L C 0.786 177.517 176.870 -0.233 0.000 1.145 518 L CA 1.248 55.853 54.840 -0.392 0.000 0.834 518 L CB -1.159 40.558 42.059 -0.570 0.000 0.944 518 L HN 0.038 nan 8.230 nan 0.000 0.451 534 D N 3.341 123.755 120.400 0.024 0.000 2.417 534 D HA 0.283 4.923 4.640 0.000 0.000 0.250 534 D C 0.603 176.921 176.300 0.029 0.000 1.166 534 D CA 0.906 54.934 54.000 0.047 0.000 0.881 534 D CB 1.582 42.420 40.800 0.063 0.000 1.164 534 D HN 0.794 nan 8.370 nan 0.000 0.467 535 S N 1.457 117.188 115.700 0.052 0.000 2.562 535 S HA 0.448 4.918 4.470 0.000 0.000 0.275 535 S C 1.280 175.925 174.600 0.076 0.000 1.281 535 S CA -0.413 57.813 58.200 0.044 0.000 1.045 535 S CB 1.862 65.087 63.200 0.041 0.000 0.962 535 S HN 0.393 nan 8.310 nan 0.000 0.503 536 A N 2.441 125.290 122.820 0.047 0.000 2.032 536 A HA -0.145 4.175 4.320 0.000 0.000 0.221 536 A C 1.810 179.477 177.584 0.138 0.000 1.165 536 A CA 1.751 53.836 52.037 0.079 0.000 0.645 536 A CB -0.822 18.197 19.000 0.033 0.000 0.807 536 A HN 0.937 nan 8.150 nan 0.000 0.453 537 D N 0.218 120.674 120.400 0.093 0.000 2.077 537 D HA -0.140 4.501 4.640 0.000 0.000 0.193 537 D C 1.790 178.143 176.300 0.089 0.000 0.989 537 D CA 1.949 55.996 54.000 0.078 0.000 0.831 537 D CB -0.418 40.412 40.800 0.050 0.000 0.979 537 D HN 0.526 nan 8.370 nan 0.000 0.449 538 L N -1.077 120.199 121.223 0.089 0.000 2.622 538 L HA 0.107 4.447 4.340 0.000 0.000 0.233 538 L C 1.882 178.810 176.870 0.097 0.000 1.156 538 L CA 0.887 55.771 54.840 0.073 0.000 0.866 538 L CB -1.227 40.866 42.059 0.058 0.000 0.980 538 L HN -0.095 nan 8.230 nan 0.000 0.448 539 F N 1.255 121.211 119.950 0.010 0.000 2.179 539 F HA 0.193 4.720 4.527 0.000 0.000 0.292 539 F C 2.428 178.234 175.800 0.010 0.000 1.089 539 F CA 1.084 59.090 58.000 0.010 0.000 1.295 539 F CB -0.242 38.764 39.000 0.010 0.000 1.041 539 F HN 0.102 nan 8.300 nan 0.000 0.487 540 A N 0.774 123.659 122.820 0.109 0.000 1.969 540 A HA -0.103 4.217 4.320 0.000 0.000 0.218 540 A C 2.232 179.770 177.584 -0.077 0.000 1.169 540 A CA 1.767 53.803 52.037 -0.001 0.000 0.635 540 A CB -1.206 17.849 19.000 0.091 0.000 0.810 540 A HN 0.524 nan 8.150 nan 0.000 0.445 541 I N -0.483 120.062 120.570 -0.041 0.000 2.252 541 I HA -0.203 3.967 4.170 0.000 0.000 0.245 541 I C 2.268 178.336 176.117 -0.082 0.000 1.102 541 I CA 1.563 62.839 61.300 -0.041 0.000 1.385 541 I CB -0.362 37.632 38.000 -0.009 0.000 1.064 541 I HN 0.323 nan 8.210 nan 0.000 0.414 542 D N 0.677 120.999 120.400 -0.129 0.000 2.144 542 D HA -0.216 4.424 4.640 0.000 0.000 0.199 542 D C 2.092 178.276 176.300 -0.194 0.000 0.984 542 D CA 1.250 55.159 54.000 -0.151 0.000 0.834 542 D CB 0.079 40.775 40.800 -0.174 0.000 0.955 542 D HN 0.164 nan 8.370 nan 0.000 0.465 543 Q N -0.082 119.545 119.800 -0.289 0.000 2.308 543 Q HA -0.098 4.242 4.340 0.000 0.000 0.209 543 Q C 1.940 177.866 176.000 -0.123 0.000 0.985 543 Q CA 0.366 56.025 55.803 -0.239 0.000 0.881 543 Q CB -0.354 28.226 28.738 -0.263 0.000 0.917 543 Q HN 0.269 nan 8.270 nan 0.000 0.443 544 L N -0.373 120.794 121.223 -0.094 0.000 2.141 544 L HA -0.063 4.277 4.340 0.000 0.000 0.209 544 L C 0.459 177.304 176.870 -0.042 0.000 1.094 544 L CA 0.918 55.726 54.840 -0.053 0.000 0.763 544 L CB -0.409 41.628 42.059 -0.036 0.000 0.908 544 L HN 0.144 nan 8.230 nan 0.000 0.437 545 I N -0.607 119.934 120.570 -0.048 0.000 2.416 545 I HA 0.000 4.170 4.170 0.000 0.000 0.288 545 I C 0.381 176.480 176.117 -0.030 0.000 1.051 545 I CA -0.402 60.879 61.300 -0.031 0.000 1.375 545 I CB 0.256 38.240 38.000 -0.026 0.000 1.407 545 I HN 0.029 nan 8.210 nan 0.000 0.516 546 C N 8.093 127.382 119.300 -0.018 0.000 2.566 546 C HA 0.212 4.672 4.460 0.000 0.000 0.393 546 C C 1.913 176.897 174.990 -0.010 0.000 1.309 546 C CA -0.459 58.550 59.018 -0.016 0.000 1.801 546 C CB -0.261 27.473 27.740 -0.010 0.000 2.493 546 C HN 0.716 nan 8.230 nan 0.000 0.575 547 R N 2.976 123.468 120.500 -0.014 0.000 2.210 547 R HA 0.049 4.389 4.340 0.000 0.000 0.203 547 R C 1.372 177.674 176.300 0.003 0.000 1.010 547 R CA 0.487 56.584 56.100 -0.005 0.000 1.008 547 R CB -0.801 29.493 30.300 -0.009 0.000 0.923 547 R HN 0.839 nan 8.270 nan 0.000 0.469 548 S N 1.609 117.305 115.700 -0.006 0.000 2.562 548 S HA 0.171 4.641 4.470 0.000 0.000 0.281 548 S C 0.046 174.657 174.600 0.018 0.000 1.333 548 S CA -0.436 57.762 58.200 -0.004 0.000 1.052 548 S CB 0.892 64.075 63.200 -0.029 0.000 0.884 548 S HN 0.083 nan 8.310 nan 0.000 0.506 549 N N 2.918 121.643 118.700 0.041 0.000 2.296 549 N HA 0.467 5.207 4.740 0.000 0.000 0.294 549 N C -2.868 172.685 175.510 0.072 0.000 1.033 549 N CA -1.203 51.879 53.050 0.054 0.000 0.839 549 N CB 1.441 39.968 38.487 0.066 0.000 1.395 549 N HN 0.522 nan 8.380 nan 0.000 0.479 550 P HA 0.065 nan 4.420 nan 0.000 0.267 550 P C -0.268 177.069 177.300 0.061 0.000 1.200 550 P CA 0.214 63.346 63.100 0.053 0.000 0.772 550 P CB 0.311 32.028 31.700 0.029 0.000 0.855 551 T N 3.271 117.865 114.554 0.066 0.000 2.888 551 T HA 0.173 4.523 4.350 0.000 0.000 0.301 551 T C 0.150 174.782 174.700 -0.113 0.000 1.001 551 T CA 0.211 62.291 62.100 -0.032 0.000 1.147 551 T CB 0.052 68.882 68.868 -0.063 0.000 0.931 551 T HN 0.313 nan 8.240 nan 0.000 0.541 552 K N 3.611 123.912 120.400 -0.164 0.000 2.565 552 K HA 0.420 4.740 4.320 0.000 0.000 0.249 552 K C -1.296 175.210 176.600 -0.158 0.000 0.958 552 K CA -0.702 55.510 56.287 -0.124 0.000 0.806 552 K CB 0.983 33.448 32.500 -0.059 0.000 1.194 552 K HN 0.361 nan 8.250 nan 0.000 0.434 553 I N 2.232 122.721 120.570 -0.135 0.000 2.460 553 I HA 0.422 4.592 4.170 0.000 0.000 0.298 553 I C -0.035 176.042 176.117 -0.066 0.000 0.989 553 I CA -0.568 60.673 61.300 -0.098 0.000 1.173 553 I CB 1.568 39.547 38.000 -0.034 0.000 1.338 553 I HN 0.525 nan 8.210 nan 0.000 0.456 554 S N 5.199 120.857 115.700 -0.069 0.000 2.588 554 S HA 0.638 5.108 4.470 0.000 0.000 0.275 554 S C -0.590 173.953 174.600 -0.095 0.000 1.130 554 S CA -0.826 57.324 58.200 -0.082 0.000 0.855 554 S CB 3.212 66.361 63.200 -0.085 0.000 1.116 554 S HN 0.607 nan 8.310 nan 0.000 0.472 555 R N 1.124 121.560 120.500 -0.106 0.000 2.621 555 R HA 0.569 4.909 4.340 0.000 0.000 0.292 555 R C -0.765 175.464 176.300 -0.118 0.000 0.969 555 R CA -0.430 55.603 56.100 -0.112 0.000 0.887 555 R CB 1.508 31.743 30.300 -0.108 0.000 1.180 555 R HN 0.782 nan 8.270 nan 0.000 0.450 556 S N 1.517 117.150 115.700 -0.113 0.000 2.525 556 S HA 0.088 4.558 4.470 0.000 0.000 0.278 556 S C 0.984 175.526 174.600 -0.097 0.000 1.234 556 S CA -0.156 57.972 58.200 -0.120 0.000 1.058 556 S CB 1.595 64.723 63.200 -0.120 0.000 0.983 556 S HN 0.743 nan 8.310 nan 0.000 0.495 557 T N -0.242 114.275 114.554 -0.062 0.000 3.081 557 T HA 0.383 4.733 4.350 0.000 0.000 0.255 557 T C 1.566 176.224 174.700 -0.070 0.000 1.113 557 T CA 0.605 62.697 62.100 -0.013 0.000 1.082 557 T CB -0.590 68.364 68.868 0.144 0.000 0.939 557 T HN 1.867 nan 8.240 nan 0.000 0.506 558 G N 1.196 109.905 108.800 -0.152 0.000 2.213 558 G HA2 -0.227 3.733 3.960 0.000 0.000 0.236 558 G HA3 -0.227 3.733 3.960 0.000 0.000 0.236 558 G C 0.124 174.803 174.900 -0.368 0.000 0.991 558 G CA 0.157 45.117 45.100 -0.232 0.000 0.629 558 G HN 0.667 nan 8.290 nan 0.000 0.517 559 K N -0.616 119.620 120.400 -0.273 0.000 2.127 559 K HA 0.707 5.027 4.320 0.000 0.000 0.240 559 K C -0.471 175.855 176.600 -0.456 0.000 1.024 559 K CA -0.493 55.628 56.287 -0.277 0.000 0.918 559 K CB 0.539 32.930 32.500 -0.182 0.000 1.108 559 K HN 0.064 nan 8.250 nan 0.000 0.485 560 F N -0.043 119.905 119.950 -0.003 0.000 2.522 560 F HA 0.299 4.826 4.527 0.000 0.000 0.324 560 F C 0.357 176.169 175.800 0.020 0.000 1.077 560 F CA -0.629 57.381 58.000 0.018 0.000 0.944 560 F CB 1.661 40.653 39.000 -0.014 0.000 1.175 560 F HN 0.402 nan 8.300 nan 0.000 0.468 561 D N 0.572 121.108 120.400 0.226 0.000 2.654 561 D HA 0.573 5.213 4.640 0.000 0.000 0.255 561 D C -1.343 175.008 176.300 0.085 0.000 1.101 561 D CA -0.229 53.859 54.000 0.146 0.000 1.116 561 D CB 2.124 43.023 40.800 0.166 0.000 1.348 561 D HN 0.116 nan 8.370 nan 0.000 0.609 562 I N 1.392 121.984 120.570 0.036 0.000 2.582 562 I HA 0.320 4.490 4.170 0.000 0.000 0.292 562 I C -0.490 175.603 176.117 -0.040 0.000 1.066 562 I CA -0.504 60.769 61.300 -0.046 0.000 1.053 562 I CB 1.652 39.595 38.000 -0.095 0.000 1.241 562 I HN 0.387 nan 8.210 nan 0.000 0.421 563 Q N 4.776 124.520 119.800 -0.093 0.000 2.331 563 Q HA 0.434 4.774 4.340 0.000 0.000 0.272 563 Q C -1.973 173.967 176.000 -0.099 0.000 1.062 563 Q CA -0.632 55.159 55.803 -0.020 0.000 0.806 563 Q CB 2.440 31.198 28.738 0.035 0.000 1.312 563 Q HN 0.465 nan 8.270 nan 0.000 0.431 564 Y N 3.677 124.009 120.300 0.053 0.000 2.336 564 Y HA 0.336 4.886 4.550 0.000 0.000 0.335 564 Y C 0.427 176.417 175.900 0.151 0.000 1.046 564 Y CA -0.269 57.886 58.100 0.091 0.000 1.198 564 Y CB 0.677 39.175 38.460 0.064 0.000 1.182 564 Y HN 0.466 nan 8.280 nan 0.000 0.502 565 I N 0.128 120.866 120.570 0.280 0.000 2.797 565 I HA 0.936 5.106 4.170 0.000 0.000 0.307 565 I C -0.425 175.833 176.117 0.234 0.000 1.033 565 I CA -1.479 59.976 61.300 0.258 0.000 1.071 565 I CB 1.932 40.032 38.000 0.168 0.000 1.255 565 I HN 0.544 nan 8.210 nan 0.000 0.445 566 A N 3.540 126.450 122.820 0.149 0.000 2.401 566 A HA 0.562 4.882 4.320 0.000 0.000 0.259 566 A C -0.514 177.019 177.584 -0.085 0.000 1.103 566 A CA -0.188 51.770 52.037 -0.132 0.000 0.789 566 A CB 0.157 19.088 19.000 -0.115 0.000 1.035 566 A HN 0.830 nan 8.150 nan 0.000 0.491 567 C N 1.267 120.437 119.300 -0.217 0.000 2.626 567 C HA 0.710 5.170 4.460 0.000 0.000 0.310 567 C C 0.410 175.309 174.990 -0.153 0.000 1.191 567 C CA -0.341 58.472 59.018 -0.343 0.000 1.517 567 C CB 1.708 29.173 27.740 -0.459 0.000 2.102 567 C HN 0.892 nan 8.230 nan 0.000 0.479 568 S N 1.839 117.526 115.700 -0.021 0.000 2.454 568 S HA 0.561 5.031 4.470 0.000 0.000 0.306 568 S C -0.027 174.593 174.600 0.033 0.000 1.100 568 S CA -0.380 57.844 58.200 0.039 0.000 1.087 568 S CB 1.410 64.677 63.200 0.111 0.000 1.019 568 S HN 0.941 nan 8.310 nan 0.000 0.480 569 S N 3.102 118.810 115.700 0.015 0.000 2.584 569 S HA 0.282 4.752 4.470 0.000 0.000 0.270 569 S C 0.303 174.936 174.600 0.055 0.000 1.346 569 S CA -0.740 57.475 58.200 0.024 0.000 1.018 569 S CB 0.278 63.490 63.200 0.021 0.000 0.899 569 S HN 0.771 nan 8.310 nan 0.000 0.542 570 R N 0.827 121.362 120.500 0.058 0.000 2.619 570 R HA 0.140 4.480 4.340 0.000 0.000 0.268 570 R C -0.558 175.768 176.300 0.044 0.000 0.990 570 R CA -0.199 55.936 56.100 0.058 0.000 1.092 570 R CB -0.067 30.266 30.300 0.055 0.000 0.935 570 R HN 0.575 nan 8.270 nan 0.000 0.415 571 V N 5.611 125.548 119.914 0.039 0.000 2.881 571 V HA 0.103 4.223 4.120 0.000 0.000 0.303 571 V C 0.868 176.976 176.094 0.024 0.000 1.070 571 V CA -0.346 61.972 62.300 0.030 0.000 1.074 571 V CB 1.162 33.000 31.823 0.026 0.000 1.012 571 V HN 0.633 nan 8.190 nan 0.000 0.482 572 L N 2.683 123.918 121.223 0.020 0.000 2.464 572 L HA 0.441 4.781 4.340 0.000 0.000 0.264 572 L C 0.876 177.754 176.870 0.013 0.000 1.199 572 L CA -0.080 54.770 54.840 0.017 0.000 0.818 572 L CB 0.373 42.441 42.059 0.015 0.000 1.102 572 L HN 0.821 nan 8.230 nan 0.000 0.473 573 A N 0.000 122.826 122.820 0.011 0.000 2.254 573 A HA 0.000 4.320 4.320 0.000 0.000 0.244 573 A CA 0.000 52.041 52.037 0.007 0.000 0.836 573 A CB 0.000 19.003 19.000 0.006 0.000 0.831 573 A HN 0.000 nan 8.150 nan 0.000 0.486