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 2zx8_1_A DATA FIRST_RESID 7 DATA SEQUENCE RYKPDWESLR EHTVPKWFDK AKFGIFIHWG IYSVPGWATP TGELGKVPMD DATA SEQUENCE AWFFQNPYAE WYENSLRIKE SPTWEYHVKT YGENFEYEKF ADLFTAEKWD DATA SEQUENCE PQEWADLFKK AGAKYVIPTT KHHDGFCLWG TKYTDFNSVK RGPKRDLVGD DATA SEQUENCE LAKAVREAGL RFGVYYSGGL DWRFTTEPIR YPEDLSYIRP NTYEYADYAY DATA SEQUENCE KQVMELVDLY LPDVLWNDMG WPEKGKEDLK YLFAYYYNKH PEGSVNDRWG DATA SEQUENCE VPHWDFKTAE YHVNYPGDLP GYKWEFTRGI GLSFGYNRNE GPEHMLSVEQ DATA SEQUENCE LVYTLVDVVS KGGNLLLNVG PKGDGTIPDL QKERLLGLGE WLRKYGDAIY DATA SEQUENCE GTSVWERCCA KTEDGTEIRF TRKCNRIFVI FLGIPTGEKI VIEDLNLSAG DATA SEQUENCE TVRHFLTGER LSFKNVGKNL EITVPKKLLE TDSITLVLEA V 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 R HA 0.000 nan 4.340 nan 0.000 0.208 7 R C 0.000 176.175 176.300 -0.208 0.000 0.893 7 R CA 0.000 56.015 56.100 -0.142 0.000 0.921 7 R CB 0.000 30.279 30.300 -0.036 0.000 0.687 8 Y N 1.375 121.672 120.300 -0.006 0.000 2.310 8 Y HA 0.382 4.935 4.550 0.005 0.000 0.326 8 Y C 0.955 176.836 175.900 -0.032 0.000 1.151 8 Y CA 0.014 58.106 58.100 -0.015 0.000 1.195 8 Y CB 1.094 39.569 38.460 0.024 0.000 1.210 8 Y HN 0.066 nan 8.280 nan 0.000 0.483 9 K N 4.094 124.547 120.400 0.089 0.000 2.123 9 K HA 0.323 4.646 4.320 0.005 0.000 0.248 9 K C -2.502 174.037 176.600 -0.101 0.000 0.969 9 K CA -2.005 54.276 56.287 -0.010 0.000 0.882 9 K CB 1.058 33.534 32.500 -0.041 0.000 1.080 9 K HN 0.317 nan 8.250 nan 0.000 0.441 10 P HA 0.030 nan 4.420 nan 0.000 0.226 10 P C -1.604 175.332 177.300 -0.607 0.000 1.783 10 P CA 0.070 62.876 63.100 -0.490 0.000 0.980 10 P CB -0.703 30.602 31.700 -0.660 0.000 1.967 11 D N -2.077 118.025 120.400 -0.497 0.000 2.655 11 D HA 0.167 4.809 4.640 0.005 0.000 0.229 11 D C 0.345 176.411 176.300 -0.391 0.000 1.229 11 D CA -0.894 52.771 54.000 -0.559 0.000 0.807 11 D CB 0.101 40.720 40.800 -0.301 0.000 1.514 11 D HN -0.084 nan 8.370 nan 0.000 0.444 12 W N 0.416 121.663 121.300 -0.089 0.000 2.350 12 W HA -0.063 4.599 4.660 0.004 0.000 0.289 12 W C 2.064 178.559 176.519 -0.040 0.000 1.215 12 W CA 0.814 58.126 57.345 -0.055 0.000 1.236 12 W CB -0.056 29.387 29.460 -0.027 0.000 1.130 12 W HN 0.639 nan 8.180 nan 0.000 0.541 13 E N 0.269 120.562 120.200 0.156 0.000 2.106 13 E HA -0.214 4.139 4.350 0.005 0.000 0.192 13 E C 2.327 178.960 176.600 0.054 0.000 0.984 13 E CA 1.490 57.945 56.400 0.091 0.000 0.806 13 E CB -0.198 29.536 29.700 0.057 0.000 0.750 13 E HN 0.121 nan 8.360 nan 0.000 0.458 14 S N -0.179 115.536 115.700 0.025 0.000 2.377 14 S HA -0.026 4.447 4.470 0.005 0.000 0.223 14 S C 1.982 176.637 174.600 0.093 0.000 1.030 14 S CA 0.440 58.663 58.200 0.039 0.000 0.970 14 S CB -0.190 63.017 63.200 0.012 0.000 0.830 14 S HN 0.312 nan 8.310 nan 0.000 0.473 15 L N 1.402 122.636 121.223 0.017 0.000 2.191 15 L HA -0.041 4.302 4.340 0.005 0.000 0.212 15 L C 2.741 179.506 176.870 -0.176 0.000 1.103 15 L CA 1.346 56.109 54.840 -0.128 0.000 0.769 15 L CB -0.493 41.431 42.059 -0.226 0.000 0.908 15 L HN 0.322 nan 8.230 nan 0.000 0.438 16 R N 1.094 121.608 120.500 0.023 0.000 2.139 16 R HA -0.213 4.130 4.340 0.005 0.000 0.243 16 R C 1.853 178.190 176.300 0.062 0.000 1.145 16 R CA 1.552 57.708 56.100 0.093 0.000 0.976 16 R CB -0.404 29.938 30.300 0.070 0.000 0.866 16 R HN 0.403 nan 8.270 nan 0.000 0.449 17 E N -0.362 119.885 120.200 0.078 0.000 2.267 17 E HA -0.190 4.162 4.350 0.005 0.000 0.197 17 E C 0.064 176.728 176.600 0.108 0.000 0.998 17 E CA 0.673 57.129 56.400 0.093 0.000 0.830 17 E CB -0.270 29.507 29.700 0.128 0.000 0.751 17 E HN 0.447 nan 8.360 nan 0.000 0.491 18 H N 1.168 120.209 119.070 -0.048 0.000 2.668 18 H HA 0.111 4.670 4.556 0.005 0.000 0.303 18 H C -0.313 174.897 175.328 -0.196 0.000 1.074 18 H CA 0.287 56.168 56.048 -0.279 0.000 1.406 18 H CB 0.625 29.728 29.762 -1.099 0.000 1.442 18 H HN -0.020 nan 8.280 nan 0.000 0.482 19 T N 0.907 115.121 114.554 -0.568 0.000 2.910 19 T HA 0.220 4.573 4.350 0.005 0.000 0.287 19 T C 0.106 174.522 174.700 -0.473 0.000 1.050 19 T CA -0.951 60.937 62.100 -0.354 0.000 1.011 19 T CB 1.373 70.125 68.868 -0.194 0.000 1.195 19 T HN 0.358 nan 8.240 nan 0.000 0.540 20 V N 3.936 123.727 119.914 -0.206 0.000 2.584 20 V HA 0.205 4.328 4.120 0.005 0.000 0.303 20 V C -1.810 174.140 176.094 -0.240 0.000 1.035 20 V CA -1.118 61.078 62.300 -0.173 0.000 1.172 20 V CB -0.102 31.704 31.823 -0.028 0.000 0.896 20 V HN 0.829 nan 8.190 nan 0.000 0.486 21 P HA 0.102 nan 4.420 nan 0.000 0.272 21 P C 0.332 177.478 177.300 -0.256 0.000 1.223 21 P CA -0.248 62.696 63.100 -0.259 0.000 0.784 21 P CB 0.795 32.369 31.700 -0.210 0.000 0.923 22 K N 2.381 122.730 120.400 -0.085 0.000 2.026 22 K HA -0.128 4.195 4.320 0.005 0.000 0.208 22 K C 2.019 178.636 176.600 0.029 0.000 1.048 22 K CA 1.730 58.014 56.287 -0.006 0.000 0.929 22 K CB -0.449 32.088 32.500 0.063 0.000 0.713 22 K HN 0.650 nan 8.250 nan 0.000 0.439 23 W N 0.266 121.620 121.300 0.091 0.000 2.325 23 W HA -0.269 4.394 4.660 0.005 0.000 0.299 23 W C 1.552 178.135 176.519 0.107 0.000 1.215 23 W CA 0.596 57.998 57.345 0.095 0.000 1.244 23 W CB -1.038 28.482 29.460 0.100 0.000 1.140 23 W HN 0.074 nan 8.180 nan 0.000 0.523 24 F N 2.788 122.006 119.950 -1.220 0.000 2.163 24 F HA -0.156 4.374 4.527 0.005 0.000 0.297 24 F C 2.372 177.867 175.800 -0.507 0.000 1.094 24 F CA 2.415 59.637 58.000 -1.297 0.000 1.290 24 F CB -0.749 37.221 39.000 -1.717 0.000 1.017 24 F HN -0.205 nan 8.300 nan 0.000 0.483 25 D N 0.320 120.636 120.400 -0.140 0.000 2.178 25 D HA -0.182 4.461 4.640 0.005 0.000 0.201 25 D C 1.874 178.128 176.300 -0.076 0.000 0.980 25 D CA 1.456 55.411 54.000 -0.076 0.000 0.842 25 D CB -0.109 40.694 40.800 0.005 0.000 0.948 25 D HN 0.320 nan 8.370 nan 0.000 0.472 26 K N -0.432 119.963 120.400 -0.009 0.000 2.314 26 K HA 0.201 4.524 4.320 0.005 0.000 0.198 26 K C 2.041 178.724 176.600 0.138 0.000 1.045 26 K CA 0.546 56.880 56.287 0.078 0.000 0.988 26 K CB 0.205 32.780 32.500 0.125 0.000 0.783 26 K HN 0.056 nan 8.250 nan 0.000 0.484 27 A N 1.865 124.757 122.820 0.120 0.000 1.933 27 A HA -0.218 4.105 4.320 0.005 0.000 0.218 27 A C 0.930 178.690 177.584 0.292 0.000 1.175 27 A CA 1.588 53.774 52.037 0.248 0.000 0.628 27 A CB -0.100 19.104 19.000 0.339 0.000 0.814 27 A HN 0.183 nan 8.150 nan 0.000 0.444 28 K N -3.520 116.930 120.400 0.083 0.000 3.518 28 K HA -0.255 4.068 4.320 0.005 0.000 0.287 28 K C 0.102 176.796 176.600 0.156 0.000 0.935 28 K CA 2.159 58.478 56.287 0.054 0.000 1.201 28 K CB -1.955 30.581 32.500 0.061 0.000 1.453 28 K HN 0.785 nan 8.250 nan 0.000 0.443 29 F N -0.500 119.482 119.950 0.053 0.000 2.574 29 F HA 0.540 5.070 4.527 0.005 0.000 0.313 29 F C -0.013 175.609 175.800 -0.295 0.000 1.130 29 F CA -0.215 57.740 58.000 -0.074 0.000 0.936 29 F CB 2.139 41.147 39.000 0.013 0.000 1.219 29 F HN 0.031 nan 8.300 nan 0.000 0.445 30 G N 5.545 113.868 108.800 -0.795 0.000 2.680 30 G HA2 0.633 4.596 3.960 0.005 0.000 0.290 30 G HA3 0.633 4.596 3.960 0.005 0.000 0.290 30 G C -2.049 172.258 174.900 -0.988 0.000 1.355 30 G CA -0.830 43.358 45.100 -1.520 0.000 0.903 30 G HN 0.464 nan 8.290 nan 0.000 0.474 31 I N 0.894 120.959 120.570 -0.842 0.000 2.378 31 I HA 0.410 4.583 4.170 0.005 0.000 0.291 31 I C -0.932 174.975 176.117 -0.350 0.000 0.992 31 I CA -0.993 59.950 61.300 -0.594 0.000 1.154 31 I CB 1.386 38.845 38.000 -0.901 0.000 1.315 31 I HN 0.208 nan 8.210 nan 0.000 0.448 32 F N 6.839 126.599 119.950 -0.317 0.000 2.379 32 F HA 0.554 5.084 4.527 0.005 0.000 0.332 32 F C 0.185 175.890 175.800 -0.159 0.000 1.096 32 F CA -1.374 56.504 58.000 -0.203 0.000 1.105 32 F CB 1.094 40.039 39.000 -0.092 0.000 1.189 32 F HN 0.188 nan 8.300 nan 0.000 0.515 33 I N 4.928 125.569 120.570 0.119 0.000 2.503 33 I HA 0.125 4.298 4.170 0.005 0.000 0.282 33 I C -1.300 174.809 176.117 -0.014 0.000 1.059 33 I CA -0.630 60.686 61.300 0.026 0.000 1.081 33 I CB 1.356 39.400 38.000 0.074 0.000 1.210 33 I HN 0.400 nan 8.210 nan 0.000 0.450 34 H N 5.054 124.028 119.070 -0.160 0.000 2.690 34 H HA 0.316 4.876 4.556 0.005 0.000 0.289 34 H C -1.331 174.144 175.328 0.245 0.000 1.089 34 H CA -0.079 55.894 56.048 -0.126 0.000 1.299 34 H CB 0.619 30.191 29.762 -0.317 0.000 1.405 34 H HN 0.494 nan 8.280 nan 0.000 0.463 35 W N 3.656 125.016 121.300 0.100 0.000 2.900 35 W HA 0.591 5.255 4.660 0.008 0.000 0.336 35 W C -0.537 175.785 176.519 -0.327 0.000 1.064 35 W CA -0.742 56.597 57.345 -0.009 0.000 1.237 35 W CB 1.520 31.072 29.460 0.153 0.000 1.391 35 W HN 0.688 nan 8.180 nan 0.000 0.468 36 G N 3.681 111.807 108.800 -1.124 0.000 2.561 36 G HA2 0.217 4.180 3.960 0.005 0.000 0.310 36 G HA3 0.217 4.180 3.960 0.005 0.000 0.310 36 G C 0.313 173.961 174.900 -2.087 0.000 1.292 36 G CA -0.180 43.970 45.100 -1.584 0.000 0.811 36 G HN 0.909 nan 8.290 nan 0.000 0.482 37 I N -1.076 118.495 120.570 -1.666 0.000 2.756 37 I HA -0.036 4.137 4.170 0.005 0.000 0.262 37 I C 2.110 177.683 176.117 -0.907 0.000 1.225 37 I CA 1.436 61.947 61.300 -1.314 0.000 1.472 37 I CB -0.433 36.950 38.000 -1.027 0.000 1.094 37 I HN 0.528 nan 8.210 nan 0.000 0.454 38 Y N 0.757 120.815 120.300 -0.404 0.000 2.497 38 Y HA 0.125 4.678 4.550 0.005 0.000 0.292 38 Y C 2.359 178.074 175.900 -0.308 0.000 1.137 38 Y CA 0.547 58.487 58.100 -0.267 0.000 1.285 38 Y CB -1.468 37.016 38.460 0.039 0.000 0.991 38 Y HN 0.069 nan 8.280 nan 0.000 0.556 39 S N 0.177 115.614 115.700 -0.439 0.000 2.447 39 S HA -0.103 4.369 4.470 0.005 0.000 0.233 39 S C 2.041 176.624 174.600 -0.029 0.000 1.006 39 S CA 1.018 59.199 58.200 -0.032 0.000 0.957 39 S CB -0.497 62.721 63.200 0.031 0.000 0.773 39 S HN 0.375 nan 8.310 nan 0.000 0.507 40 V N 3.135 122.869 119.914 -0.301 0.000 2.244 40 V HA -0.090 4.033 4.120 0.005 0.000 0.244 40 V C -0.286 175.647 176.094 -0.268 0.000 1.042 40 V CA 1.618 63.792 62.300 -0.210 0.000 1.006 40 V CB -1.578 30.094 31.823 -0.252 0.000 0.641 40 V HN 0.365 nan 8.190 nan 0.000 0.446 41 P HA -0.063 nan 4.420 nan 0.000 0.219 41 P C 1.168 178.449 177.300 -0.032 0.000 1.150 41 P CA 1.636 64.476 63.100 -0.434 0.000 0.814 41 P CB -0.314 30.688 31.700 -1.162 0.000 0.787 42 G N 0.294 109.045 108.800 -0.082 0.000 2.357 42 G HA2 -0.208 3.755 3.960 0.005 0.000 0.282 42 G HA3 -0.208 3.755 3.960 0.005 0.000 0.282 42 G C -0.757 174.111 174.900 -0.054 0.000 0.910 42 G CA 0.235 45.333 45.100 -0.005 0.000 1.267 42 G HN 0.450 nan 8.290 nan 0.000 0.476 43 W N 0.376 121.611 121.300 -0.108 0.000 3.259 43 W HA 0.664 5.327 4.660 0.005 0.000 0.331 43 W C -0.386 176.090 176.519 -0.072 0.000 1.144 43 W CA -0.032 57.209 57.345 -0.174 0.000 1.227 43 W CB 1.542 30.807 29.460 -0.324 0.000 1.371 43 W HN 0.882 nan 8.180 nan 0.000 0.491 44 A N 2.065 124.421 122.820 -0.773 0.000 2.610 44 A HA 0.673 4.996 4.320 0.005 0.000 0.291 44 A C -0.576 176.308 177.584 -1.167 0.000 1.086 44 A CA -0.633 50.976 52.037 -0.714 0.000 0.677 44 A CB 1.112 19.928 19.000 -0.308 0.000 1.278 44 A HN 0.656 nan 8.150 nan 0.000 0.414 45 T N 0.854 114.913 114.554 -0.824 0.000 2.737 45 T HA 0.529 4.882 4.350 0.005 0.000 0.296 45 T C -2.317 172.066 174.700 -0.529 0.000 0.922 45 T CA -1.466 60.252 62.100 -0.637 0.000 1.079 45 T CB 0.668 69.324 68.868 -0.354 0.000 0.892 45 T HN 0.368 nan 8.240 nan 0.000 0.514 46 P HA 0.156 nan 4.420 nan 0.000 0.226 46 P C 0.801 177.896 177.300 -0.342 0.000 1.783 46 P CA -0.335 62.457 63.100 -0.512 0.000 0.980 46 P CB -0.134 31.060 31.700 -0.843 0.000 1.967 47 T N -0.359 114.005 114.554 -0.318 0.000 2.746 47 T HA 0.088 4.441 4.350 0.005 0.000 0.267 47 T C 1.125 175.744 174.700 -0.135 0.000 1.039 47 T CA 1.743 63.709 62.100 -0.222 0.000 1.142 47 T CB -0.243 68.457 68.868 -0.280 0.000 0.866 47 T HN 0.540 nan 8.240 nan 0.000 0.444 48 G N -0.242 108.471 108.800 -0.144 0.000 2.315 48 G HA2 0.394 4.356 3.960 0.005 0.000 0.294 48 G HA3 0.394 4.356 3.960 0.005 0.000 0.294 48 G C -2.085 172.793 174.900 -0.037 0.000 1.300 48 G CA -1.011 44.063 45.100 -0.043 0.000 0.843 48 G HN 0.172 nan 8.290 nan 0.000 0.527 49 E N -0.423 119.791 120.200 0.022 0.000 2.331 49 E HA 0.417 4.770 4.350 0.005 0.000 0.272 49 E C 0.074 176.697 176.600 0.039 0.000 1.036 49 E CA -0.622 55.747 56.400 -0.052 0.000 0.864 49 E CB 2.010 31.833 29.700 0.205 0.000 1.035 49 E HN 0.489 nan 8.360 nan 0.000 0.408 50 L N 2.574 123.707 121.223 -0.150 0.000 2.540 50 L HA 0.167 4.510 4.340 0.005 0.000 0.276 50 L C 1.093 177.995 176.870 0.053 0.000 1.212 50 L CA 1.848 56.554 54.840 -0.224 0.000 0.893 50 L CB -0.038 41.913 42.059 -0.180 0.000 1.138 50 L HN 0.781 nan 8.230 nan 0.000 0.491 51 G N 3.091 111.841 108.800 -0.084 0.000 2.238 51 G HA2 -0.222 3.741 3.960 0.005 0.000 0.217 51 G HA3 -0.222 3.741 3.960 0.005 0.000 0.217 51 G C 0.973 175.853 174.900 -0.035 0.000 0.996 51 G CA 0.233 45.347 45.100 0.023 0.000 0.632 51 G HN 0.547 nan 8.290 nan 0.000 0.503 52 K N -0.078 120.320 120.400 -0.003 0.000 2.391 52 K HA 0.428 4.751 4.320 0.005 0.000 0.197 52 K C 0.746 177.346 176.600 -0.001 0.000 1.087 52 K CA 0.356 56.617 56.287 -0.043 0.000 1.012 52 K CB 1.287 33.771 32.500 -0.028 0.000 0.925 52 K HN 0.352 nan 8.250 nan 0.000 0.547 53 V N 5.504 125.443 119.914 0.041 0.000 2.407 53 V HA 0.185 4.308 4.120 0.005 0.000 0.278 53 V C -2.190 173.938 176.094 0.056 0.000 1.037 53 V CA -1.884 60.474 62.300 0.097 0.000 0.900 53 V CB 1.167 33.174 31.823 0.307 0.000 0.983 53 V HN 0.081 nan 8.190 nan 0.000 0.459 54 P HA 0.059 nan 4.420 nan 0.000 0.264 54 P C 0.569 177.917 177.300 0.080 0.000 1.193 54 P CA -0.207 62.919 63.100 0.044 0.000 0.763 54 P CB 0.628 32.357 31.700 0.047 0.000 0.810 55 M N 1.544 121.172 119.600 0.047 0.000 2.706 55 M HA -0.070 4.413 4.480 0.005 0.000 0.251 55 M C 0.886 177.343 176.300 0.262 0.000 1.070 55 M CA 1.107 56.456 55.300 0.082 0.000 1.073 55 M CB -1.213 31.411 32.600 0.039 0.000 1.449 55 M HN 0.374 nan 8.290 nan 0.000 0.531 56 D N -0.651 119.904 120.400 0.258 0.000 2.348 56 D HA 0.116 4.759 4.640 0.005 0.000 0.211 56 D C 1.530 178.049 176.300 0.364 0.000 0.998 56 D CA 0.723 54.953 54.000 0.384 0.000 0.873 56 D CB 0.508 41.446 40.800 0.230 0.000 0.925 56 D HN 0.371 nan 8.370 nan 0.000 0.524 57 A N 0.392 123.368 122.820 0.261 0.000 2.074 57 A HA 0.023 4.346 4.320 0.005 0.000 0.200 57 A C 1.806 179.513 177.584 0.206 0.000 1.335 57 A CA -0.433 51.737 52.037 0.221 0.000 0.922 57 A CB -0.708 18.348 19.000 0.092 0.000 0.972 57 A HN 0.261 nan 8.150 nan 0.000 0.475 58 W N 0.926 122.151 121.300 -0.124 0.000 2.280 58 W HA -0.331 4.332 4.660 0.004 0.000 0.332 58 W C 1.347 177.543 176.519 -0.539 0.000 1.300 58 W CA 2.430 59.522 57.345 -0.422 0.000 1.274 58 W CB -0.737 28.305 29.460 -0.697 0.000 1.141 58 W HN 0.379 nan 8.180 nan 0.000 0.474 59 F N -0.923 118.987 119.950 -0.068 0.000 2.365 59 F HA -0.114 4.416 4.527 0.005 0.000 0.300 59 F C 2.061 177.587 175.800 -0.457 0.000 1.090 59 F CA 1.055 58.848 58.000 -0.345 0.000 1.408 59 F CB -1.067 37.709 39.000 -0.373 0.000 1.060 59 F HN -0.238 nan 8.300 nan 0.000 0.534 60 F N -0.710 119.185 119.950 -0.092 0.000 2.512 60 F HA 0.025 4.555 4.527 0.006 0.000 0.296 60 F C 1.160 176.883 175.800 -0.129 0.000 1.110 60 F CA 0.685 58.630 58.000 -0.091 0.000 1.446 60 F CB -0.015 38.942 39.000 -0.072 0.000 1.092 60 F HN -0.100 nan 8.300 nan 0.000 0.554 61 Q N 0.360 120.104 119.800 -0.094 0.000 2.632 61 Q HA 0.111 4.454 4.340 0.005 0.000 0.352 61 Q C -0.942 174.770 176.000 -0.479 0.000 0.821 61 Q CA -0.257 55.431 55.803 -0.192 0.000 1.060 61 Q CB 0.225 28.876 28.738 -0.144 0.000 1.429 61 Q HN 0.063 nan 8.270 nan 0.000 0.391 62 N N 3.393 121.750 118.700 -0.572 0.000 2.452 62 N HA 0.035 4.777 4.740 0.005 0.000 0.266 62 N C -1.500 173.570 175.510 -0.734 0.000 1.209 62 N CA -1.003 51.474 53.050 -0.955 0.000 0.929 62 N CB 1.110 39.200 38.487 -0.663 0.000 1.063 62 N HN 0.135 nan 8.380 nan 0.000 0.472 63 P HA -0.023 nan 4.420 nan 0.000 0.241 63 P C -0.427 176.763 177.300 -0.182 0.000 1.191 63 P CA 0.495 63.272 63.100 -0.539 0.000 0.771 63 P CB 0.137 31.507 31.700 -0.551 0.000 0.929 64 Y N 0.932 121.033 120.300 -0.330 0.000 2.556 64 Y HA 0.361 4.914 4.550 0.005 0.000 0.352 64 Y C 1.947 177.871 175.900 0.039 0.000 1.006 64 Y CA -1.635 56.437 58.100 -0.046 0.000 1.277 64 Y CB -0.184 38.354 38.460 0.131 0.000 1.136 64 Y HN -0.031 nan 8.280 nan 0.000 0.523 65 A N 3.088 125.977 122.820 0.115 0.000 1.986 65 A HA -0.199 4.124 4.320 0.005 0.000 0.220 65 A C 2.030 179.711 177.584 0.161 0.000 1.171 65 A CA 1.732 53.846 52.037 0.128 0.000 0.640 65 A CB -0.279 18.745 19.000 0.041 0.000 0.811 65 A HN 0.706 nan 8.150 nan 0.000 0.451 66 E N -1.404 118.758 120.200 -0.063 0.000 2.472 66 E HA -0.191 4.162 4.350 0.005 0.000 0.200 66 E C 0.661 177.269 176.600 0.014 0.000 1.046 66 E CA 0.535 56.577 56.400 -0.596 0.000 0.871 66 E CB -0.446 28.442 29.700 -1.353 0.000 0.806 66 E HN 0.796 nan 8.360 nan 0.000 0.533 67 W N 0.550 121.973 121.300 0.205 0.000 3.400 67 W HA 0.227 4.891 4.660 0.007 0.000 0.347 67 W C 1.410 178.103 176.519 0.289 0.000 1.218 67 W CA -0.872 56.734 57.345 0.435 0.000 1.837 67 W CB -0.675 29.043 29.460 0.429 0.000 1.067 67 W HN 0.110 nan 8.180 nan 0.000 0.701 68 Y N 1.384 121.879 120.300 0.325 0.000 2.102 68 Y HA -0.384 4.169 4.550 0.004 0.000 0.280 68 Y C 2.511 178.475 175.900 0.107 0.000 1.178 68 Y CA 2.641 60.903 58.100 0.270 0.000 1.146 68 Y CB -0.184 38.491 38.460 0.358 0.000 0.968 68 Y HN 0.089 nan 8.280 nan 0.000 0.504 69 E N -0.224 120.045 120.200 0.115 0.000 2.085 69 E HA -0.314 4.039 4.350 0.005 0.000 0.194 69 E C 2.003 178.364 176.600 -0.398 0.000 0.994 69 E CA 1.513 57.681 56.400 -0.386 0.000 0.801 69 E CB -0.350 28.756 29.700 -0.991 0.000 0.743 69 E HN 0.567 nan 8.360 nan 0.000 0.453 70 N N -0.291 118.051 118.700 -0.597 0.000 2.120 70 N HA -0.121 4.622 4.740 0.005 0.000 0.188 70 N C 1.752 177.099 175.510 -0.272 0.000 1.024 70 N CA 1.840 54.478 53.050 -0.686 0.000 0.852 70 N CB -0.043 38.010 38.487 -0.723 0.000 1.003 70 N HN -0.023 nan 8.380 nan 0.000 0.424 71 S N 0.117 115.756 115.700 -0.102 0.000 2.368 71 S HA -0.109 4.364 4.470 0.005 0.000 0.225 71 S C 1.723 176.265 174.600 -0.097 0.000 1.030 71 S CA 0.870 59.023 58.200 -0.079 0.000 0.999 71 S CB -0.500 62.679 63.200 -0.034 0.000 0.844 71 S HN 0.375 nan 8.310 nan 0.000 0.459 72 L N 2.254 123.387 121.223 -0.151 0.000 2.079 72 L HA -0.033 4.310 4.340 0.005 0.000 0.210 72 L C 2.017 178.914 176.870 0.044 0.000 1.081 72 L CA 1.680 56.482 54.840 -0.064 0.000 0.752 72 L CB -0.484 41.508 42.059 -0.112 0.000 0.896 72 L HN 0.130 nan 8.230 nan 0.000 0.433 73 R N -0.616 119.833 120.500 -0.086 0.000 2.235 73 R HA 0.086 4.429 4.340 0.005 0.000 0.213 73 R C 0.352 176.575 176.300 -0.128 0.000 1.059 73 R CA 0.400 56.440 56.100 -0.101 0.000 0.997 73 R CB -0.311 29.872 30.300 -0.194 0.000 0.884 73 R HN 0.331 nan 8.270 nan 0.000 0.462 74 I N 2.847 123.336 120.570 -0.134 0.000 2.281 74 I HA 0.048 4.221 4.170 0.005 0.000 0.293 74 I C 0.003 176.026 176.117 -0.156 0.000 1.085 74 I CA -0.489 60.720 61.300 -0.150 0.000 1.257 74 I CB 0.676 38.565 38.000 -0.184 0.000 1.430 74 I HN -0.167 nan 8.210 nan 0.000 0.489 75 K N 5.064 125.262 120.400 -0.338 0.000 2.469 75 K HA 0.006 4.329 4.320 0.005 0.000 0.274 75 K C 0.444 176.768 176.600 -0.459 0.000 0.983 75 K CA 0.117 55.930 56.287 -0.789 0.000 0.974 75 K CB 0.216 32.189 32.500 -0.878 0.000 0.913 75 K HN 0.480 nan 8.250 nan 0.000 0.493 76 E N -0.382 119.551 120.200 -0.445 0.000 2.271 76 E HA -0.188 4.165 4.350 0.005 0.000 0.223 76 E C -0.951 175.718 176.600 0.114 0.000 1.223 76 E CA 0.866 57.264 56.400 -0.005 0.000 0.704 76 E CB -1.111 28.537 29.700 -0.087 0.000 1.194 76 E HN 0.629 nan 8.360 nan 0.000 0.375 77 S N -1.966 113.860 115.700 0.209 0.000 2.607 77 S HA 0.661 5.134 4.470 0.005 0.000 0.303 77 S C -2.016 172.729 174.600 0.242 0.000 1.086 77 S CA -1.616 56.703 58.200 0.198 0.000 0.995 77 S CB 2.343 65.629 63.200 0.143 0.000 1.084 77 S HN -0.207 nan 8.310 nan 0.000 0.507 78 P HA -0.088 nan 4.420 nan 0.000 0.216 78 P C 1.350 178.792 177.300 0.237 0.000 1.150 78 P CA 1.557 64.825 63.100 0.281 0.000 0.843 78 P CB -0.197 31.711 31.700 0.348 0.000 0.787 79 T N -2.109 112.590 114.554 0.242 0.000 2.708 79 T HA -0.196 4.157 4.350 0.005 0.000 0.266 79 T C 1.386 176.086 174.700 0.001 0.000 1.037 79 T CA 1.220 63.349 62.100 0.049 0.000 1.146 79 T CB -0.986 67.845 68.868 -0.061 0.000 0.865 79 T HN 0.201 nan 8.240 nan 0.000 0.435 80 W N 2.361 123.631 121.300 -0.050 0.000 2.335 80 W HA -0.138 4.524 4.660 0.004 0.000 0.311 80 W C 2.227 178.767 176.519 0.034 0.000 1.213 80 W CA 1.226 58.569 57.345 -0.005 0.000 1.274 80 W CB -0.159 29.300 29.460 -0.002 0.000 1.148 80 W HN 0.142 nan 8.180 nan 0.000 0.498 81 E N -0.628 119.646 120.200 0.123 0.000 2.038 81 E HA -0.314 4.039 4.350 0.005 0.000 0.195 81 E C 1.892 178.368 176.600 -0.207 0.000 1.000 81 E CA 1.956 58.328 56.400 -0.046 0.000 0.803 81 E CB -1.576 28.186 29.700 0.102 0.000 0.750 81 E HN 0.496 nan 8.360 nan 0.000 0.448 82 Y N 1.276 121.366 120.300 -0.350 0.000 2.114 82 Y HA -0.316 4.237 4.550 0.004 0.000 0.282 82 Y C 2.536 178.222 175.900 -0.358 0.000 1.165 82 Y CA 2.442 60.222 58.100 -0.533 0.000 1.148 82 Y CB -0.628 37.103 38.460 -1.215 0.000 0.972 82 Y HN 0.219 nan 8.280 nan 0.000 0.504 83 H N -0.848 118.024 119.070 -0.330 0.000 2.321 83 H HA -0.152 4.406 4.556 0.004 0.000 0.300 83 H C 2.216 177.352 175.328 -0.319 0.000 1.087 83 H CA 2.510 58.465 56.048 -0.156 0.000 1.319 83 H CB -0.505 29.282 29.762 0.041 0.000 1.379 83 H HN 0.235 nan 8.280 nan 0.000 0.501 84 V N 0.808 120.464 119.914 -0.431 0.000 2.407 84 V HA -0.236 3.887 4.120 0.005 0.000 0.248 84 V C 2.069 177.906 176.094 -0.429 0.000 1.055 84 V CA 2.252 64.259 62.300 -0.488 0.000 1.049 84 V CB -0.321 31.039 31.823 -0.771 0.000 0.662 84 V HN 0.475 nan 8.190 nan 0.000 0.455 85 K N -0.688 119.440 120.400 -0.452 0.000 2.296 85 K HA -0.043 4.280 4.320 0.005 0.000 0.200 85 K C 1.999 178.297 176.600 -0.505 0.000 1.048 85 K CA 1.504 57.551 56.287 -0.400 0.000 0.966 85 K CB -0.147 32.147 32.500 -0.342 0.000 0.754 85 K HN 0.467 nan 8.250 nan 0.000 0.466 86 T N -0.527 113.588 114.554 -0.732 0.000 3.004 86 T HA 0.029 4.382 4.350 0.005 0.000 0.243 86 T C 1.197 175.282 174.700 -1.025 0.000 1.020 86 T CA 0.768 62.298 62.100 -0.949 0.000 1.145 86 T CB -0.052 67.981 68.868 -1.391 0.000 0.876 86 T HN 0.171 nan 8.240 nan 0.000 0.449 87 Y N 0.891 120.788 120.300 -0.671 0.000 2.483 87 Y HA 0.486 5.040 4.550 0.006 0.000 0.258 87 Y C 1.360 176.989 175.900 -0.451 0.000 1.083 87 Y CA 0.086 57.756 58.100 -0.717 0.000 1.283 87 Y CB 0.762 38.418 38.460 -1.339 0.000 1.178 87 Y HN 0.372 nan 8.280 nan 0.000 0.515 88 G N 1.075 109.680 108.800 -0.324 0.000 2.697 88 G HA2 -0.231 3.732 3.960 0.005 0.000 0.686 88 G HA3 -0.231 3.732 3.960 0.005 0.000 0.686 88 G C 0.063 174.935 174.900 -0.046 0.000 1.179 88 G CA -0.153 44.854 45.100 -0.155 0.000 0.765 88 G HN 0.262 nan 8.290 nan 0.000 0.649 89 E N 0.018 120.196 120.200 -0.037 0.000 2.265 89 E HA -0.102 4.251 4.350 0.005 0.000 0.196 89 E C 1.774 178.454 176.600 0.133 0.000 0.996 89 E CA 1.677 58.104 56.400 0.044 0.000 0.832 89 E CB -0.101 29.622 29.700 0.038 0.000 0.756 89 E HN 0.558 nan 8.360 nan 0.000 0.491 90 N N -0.637 118.131 118.700 0.113 0.000 2.270 90 N HA 0.075 4.818 4.740 0.005 0.000 0.198 90 N C -0.831 174.756 175.510 0.128 0.000 1.117 90 N CA -0.241 52.871 53.050 0.103 0.000 0.845 90 N CB 0.265 38.784 38.487 0.054 0.000 0.980 90 N HN 0.073 nan 8.380 nan 0.000 0.486 91 F N 2.485 122.460 119.950 0.042 0.000 2.334 91 F HA 0.216 4.748 4.527 0.008 0.000 0.365 91 F C -0.154 175.694 175.800 0.080 0.000 1.124 91 F CA -1.232 56.770 58.000 0.004 0.000 1.166 91 F CB 0.250 39.207 39.000 -0.071 0.000 1.355 91 F HN -0.040 nan 8.300 nan 0.000 0.532 92 E N 4.162 124.349 120.200 -0.022 0.000 2.398 92 E HA -0.059 4.294 4.350 0.005 0.000 0.263 92 E C 0.425 177.055 176.600 0.050 0.000 1.046 92 E CA -0.106 56.321 56.400 0.044 0.000 0.908 92 E CB 0.327 30.001 29.700 -0.044 0.000 0.963 92 E HN 0.722 nan 8.360 nan 0.000 0.431 93 Y N 2.085 122.455 120.300 0.117 0.000 2.151 93 Y HA -0.293 4.259 4.550 0.004 0.000 0.284 93 Y C 1.444 177.484 175.900 0.235 0.000 1.166 93 Y CA 2.241 60.505 58.100 0.273 0.000 1.163 93 Y CB 0.021 38.675 38.460 0.323 0.000 0.974 93 Y HN 0.603 nan 8.280 nan 0.000 0.511 94 E N 0.359 120.634 120.200 0.126 0.000 2.171 94 E HA -0.242 4.111 4.350 0.005 0.000 0.197 94 E C 2.043 178.626 176.600 -0.029 0.000 0.997 94 E CA 1.549 58.029 56.400 0.133 0.000 0.810 94 E CB -0.253 29.468 29.700 0.035 0.000 0.738 94 E HN 0.424 nan 8.360 nan 0.000 0.467 95 K N -0.239 119.988 120.400 -0.289 0.000 2.280 95 K HA -0.113 4.210 4.320 0.005 0.000 0.202 95 K C 1.387 177.794 176.600 -0.321 0.000 1.047 95 K CA 0.817 56.805 56.287 -0.499 0.000 0.942 95 K CB -0.168 31.590 32.500 -1.236 0.000 0.739 95 K HN 0.150 nan 8.250 nan 0.000 0.457 96 F N 0.415 120.282 119.950 -0.139 0.000 2.250 96 F HA -0.203 4.327 4.527 0.005 0.000 0.301 96 F C 2.252 177.893 175.800 -0.265 0.000 1.077 96 F CA 0.551 58.448 58.000 -0.171 0.000 1.348 96 F CB -0.133 38.611 39.000 -0.428 0.000 1.040 96 F HN 0.131 nan 8.300 nan 0.000 0.509 97 A N -0.238 122.478 122.820 -0.173 0.000 2.019 97 A HA -0.197 4.125 4.320 0.005 0.000 0.219 97 A C 1.745 179.279 177.584 -0.082 0.000 1.164 97 A CA 1.944 53.796 52.037 -0.308 0.000 0.644 97 A CB -0.524 18.300 19.000 -0.293 0.000 0.805 97 A HN 0.254 nan 8.150 nan 0.000 0.449 98 D N -0.398 119.982 120.400 -0.033 0.000 2.323 98 D HA 0.037 4.680 4.640 0.005 0.000 0.209 98 D C 1.639 177.958 176.300 0.031 0.000 0.973 98 D CA 0.571 54.567 54.000 -0.007 0.000 0.874 98 D CB -0.003 40.781 40.800 -0.028 0.000 0.930 98 D HN 0.474 nan 8.370 nan 0.000 0.521 99 L N -0.383 120.892 121.223 0.087 0.000 2.529 99 L HA 0.104 4.447 4.340 0.005 0.000 0.223 99 L C 0.624 177.577 176.870 0.137 0.000 1.113 99 L CA -0.131 54.793 54.840 0.140 0.000 0.861 99 L CB 0.024 42.234 42.059 0.253 0.000 1.012 99 L HN -0.103 nan 8.230 nan 0.000 0.461 100 F N 2.453 122.332 119.950 -0.118 0.000 2.541 100 F HA 0.089 4.618 4.527 0.003 0.000 0.347 100 F C 1.370 177.076 175.800 -0.156 0.000 1.242 100 F CA -0.550 57.325 58.000 -0.208 0.000 1.123 100 F CB 0.095 38.842 39.000 -0.423 0.000 1.354 100 F HN -0.069 nan 8.300 nan 0.000 0.621 101 T N 1.837 116.250 114.554 -0.236 0.000 3.001 101 T HA 0.348 4.701 4.350 0.005 0.000 0.251 101 T C 1.244 175.773 174.700 -0.285 0.000 1.040 101 T CA 0.308 62.255 62.100 -0.255 0.000 0.985 101 T CB -0.248 68.576 68.868 -0.074 0.000 1.011 101 T HN 1.084 nan 8.240 nan 0.000 0.509 102 A N 1.506 124.161 122.820 -0.275 0.000 2.596 102 A HA -0.270 4.052 4.320 0.005 0.000 0.300 102 A C 1.182 178.812 177.584 0.077 0.000 1.495 102 A CA 1.319 53.329 52.037 -0.045 0.000 0.769 102 A CB -2.500 16.353 19.000 -0.245 0.000 1.047 102 A HN 0.713 nan 8.150 nan 0.000 0.436 103 E N -0.329 119.907 120.200 0.061 0.000 2.153 103 E HA -0.158 4.195 4.350 0.005 0.000 0.194 103 E C 1.324 177.984 176.600 0.100 0.000 0.988 103 E CA 1.445 57.885 56.400 0.067 0.000 0.811 103 E CB -0.072 29.657 29.700 0.048 0.000 0.746 103 E HN 0.826 nan 8.360 nan 0.000 0.466 104 K N -0.286 120.197 120.400 0.138 0.000 2.576 104 K HA 0.047 4.370 4.320 0.005 0.000 0.209 104 K C -0.545 176.163 176.600 0.180 0.000 1.049 104 K CA -0.409 55.954 56.287 0.128 0.000 1.140 104 K CB 0.198 32.765 32.500 0.113 0.000 0.871 104 K HN 0.044 nan 8.250 nan 0.000 0.479 105 W N 2.650 123.934 121.300 -0.026 0.000 2.287 105 W HA 0.104 4.767 4.660 0.005 0.000 0.313 105 W C -0.426 175.975 176.519 -0.196 0.000 1.267 105 W CA -0.195 57.071 57.345 -0.132 0.000 1.201 105 W CB 0.671 30.071 29.460 -0.100 0.000 1.196 105 W HN 0.021 nan 8.180 nan 0.000 0.536 106 D N 8.407 128.361 120.400 -0.744 0.000 2.346 106 D HA 0.201 4.844 4.640 0.005 0.000 0.255 106 D C -1.511 174.138 176.300 -1.086 0.000 1.276 106 D CA -1.931 51.627 54.000 -0.737 0.000 0.941 106 D CB 1.814 42.411 40.800 -0.338 0.000 1.199 106 D HN 0.090 nan 8.370 nan 0.000 0.537 107 P HA -0.185 nan 4.420 nan 0.000 0.216 107 P C 1.265 178.272 177.300 -0.490 0.000 1.150 107 P CA 0.913 63.327 63.100 -1.144 0.000 0.843 107 P CB 0.608 31.639 31.700 -1.115 0.000 0.787 108 Q N -0.132 119.432 119.800 -0.393 0.000 2.230 108 Q HA -0.122 4.221 4.340 0.005 0.000 0.202 108 Q C 2.161 178.056 176.000 -0.175 0.000 0.963 108 Q CA 1.103 56.775 55.803 -0.219 0.000 0.866 108 Q CB -0.381 28.250 28.738 -0.179 0.000 0.931 108 Q HN 0.461 nan 8.270 nan 0.000 0.452 109 E N -1.012 119.066 120.200 -0.203 0.000 2.107 109 E HA -0.154 4.199 4.350 0.005 0.000 0.191 109 E C 1.379 177.928 176.600 -0.085 0.000 0.982 109 E CA 0.531 56.858 56.400 -0.122 0.000 0.809 109 E CB 0.096 29.737 29.700 -0.099 0.000 0.756 109 E HN 0.299 nan 8.360 nan 0.000 0.459 110 W N 0.651 121.710 121.300 -0.402 0.000 2.355 110 W HA -0.044 4.619 4.660 0.005 0.000 0.309 110 W C 2.440 178.406 176.519 -0.923 0.000 1.206 110 W CA 1.123 58.063 57.345 -0.674 0.000 1.284 110 W CB -1.171 28.070 29.460 -0.366 0.000 1.145 110 W HN 0.149 nan 8.180 nan 0.000 0.502 111 A N 0.013 122.744 122.820 -0.148 0.000 1.883 111 A HA -0.287 4.036 4.320 0.005 0.000 0.217 111 A C 1.820 179.353 177.584 -0.086 0.000 1.186 111 A CA 2.438 54.463 52.037 -0.019 0.000 0.624 111 A CB -1.164 17.863 19.000 0.046 0.000 0.822 111 A HN 0.280 nan 8.150 nan 0.000 0.444 112 D N -0.720 119.612 120.400 -0.113 0.000 2.117 112 D HA -0.146 4.496 4.640 0.005 0.000 0.197 112 D C 1.771 178.011 176.300 -0.100 0.000 0.987 112 D CA 1.355 55.307 54.000 -0.080 0.000 0.829 112 D CB -0.211 40.545 40.800 -0.074 0.000 0.961 112 D HN 0.287 nan 8.370 nan 0.000 0.460 113 L N -0.531 120.563 121.223 -0.215 0.000 2.083 113 L HA -0.031 4.312 4.340 0.005 0.000 0.209 113 L C 1.961 178.769 176.870 -0.103 0.000 1.083 113 L CA 1.612 56.332 54.840 -0.201 0.000 0.752 113 L CB -0.792 41.078 42.059 -0.315 0.000 0.899 113 L HN 0.112 nan 8.230 nan 0.000 0.433 114 F N -0.261 119.693 119.950 0.006 0.000 2.234 114 F HA -0.144 4.385 4.527 0.004 0.000 0.299 114 F C 2.555 178.341 175.800 -0.024 0.000 1.087 114 F CA 1.077 59.057 58.000 -0.033 0.000 1.340 114 F CB -0.336 38.636 39.000 -0.046 0.000 1.031 114 F HN 0.084 nan 8.300 nan 0.000 0.500 115 K N 1.325 121.809 120.400 0.140 0.000 2.001 115 K HA -0.157 4.166 4.320 0.005 0.000 0.208 115 K C 1.930 178.587 176.600 0.096 0.000 1.048 115 K CA 1.279 57.622 56.287 0.093 0.000 0.932 115 K CB -0.068 32.464 32.500 0.054 0.000 0.715 115 K HN 0.092 nan 8.250 nan 0.000 0.437 116 K N -0.070 120.374 120.400 0.074 0.000 2.209 116 K HA -0.096 4.226 4.320 0.005 0.000 0.204 116 K C 1.817 178.498 176.600 0.135 0.000 1.048 116 K CA 1.087 57.422 56.287 0.080 0.000 0.940 116 K CB -0.039 32.487 32.500 0.043 0.000 0.729 116 K HN 0.213 nan 8.250 nan 0.000 0.451 117 A N 0.199 123.123 122.820 0.173 0.000 2.206 117 A HA 0.117 4.440 4.320 0.005 0.000 0.211 117 A C 1.446 179.279 177.584 0.415 0.000 1.158 117 A CA 1.044 53.241 52.037 0.266 0.000 0.761 117 A CB -0.288 18.891 19.000 0.297 0.000 0.801 117 A HN 0.430 nan 8.150 nan 0.000 0.473 118 G N -2.359 106.645 108.800 0.340 0.000 2.175 118 G HA2 0.113 4.076 3.960 0.005 0.000 0.244 118 G HA3 0.113 4.076 3.960 0.005 0.000 0.244 118 G C 0.389 175.568 174.900 0.464 0.000 0.982 118 G CA 0.229 45.612 45.100 0.471 0.000 0.641 118 G HN 1.548 nan 8.290 nan 0.000 0.527 119 A N -0.186 122.634 122.820 -0.001 0.000 2.371 119 A HA 0.722 5.045 4.320 0.005 0.000 0.257 119 A C 1.186 178.688 177.584 -0.137 0.000 1.089 119 A CA 0.368 52.090 52.037 -0.524 0.000 0.794 119 A CB 0.537 18.993 19.000 -0.907 0.000 1.029 119 A HN 0.123 nan 8.150 nan 0.000 0.488 120 K N 0.078 120.434 120.400 -0.074 0.000 2.355 120 K HA 0.176 4.498 4.320 0.005 0.000 0.198 120 K C -0.818 175.932 176.600 0.249 0.000 1.039 120 K CA 0.599 56.961 56.287 0.124 0.000 1.075 120 K CB 0.165 32.816 32.500 0.251 0.000 0.870 120 K HN 0.799 nan 8.250 nan 0.000 0.540 121 Y N -3.045 117.248 120.300 -0.013 0.000 2.581 121 Y HA 0.640 5.192 4.550 0.004 0.000 0.337 121 Y C -0.925 174.952 175.900 -0.039 0.000 1.108 121 Y CA -1.530 56.596 58.100 0.043 0.000 1.033 121 Y CB 1.183 39.764 38.460 0.202 0.000 1.318 121 Y HN -0.323 nan 8.280 nan 0.000 0.459 122 V N 3.736 123.742 119.914 0.153 0.000 2.709 122 V HA 0.545 4.668 4.120 0.005 0.000 0.308 122 V C -0.651 175.459 176.094 0.026 0.000 1.062 122 V CA -0.855 61.442 62.300 -0.005 0.000 0.901 122 V CB 1.999 33.882 31.823 0.100 0.000 1.003 122 V HN 0.760 nan 8.190 nan 0.000 0.425 123 I N 6.298 126.855 120.570 -0.022 0.000 2.493 123 I HA 0.391 4.564 4.170 0.005 0.000 0.279 123 I C -2.700 173.486 176.117 0.115 0.000 1.045 123 I CA -1.507 59.787 61.300 -0.010 0.000 1.106 123 I CB 2.642 40.677 38.000 0.057 0.000 1.216 123 I HN 0.427 nan 8.210 nan 0.000 0.459 124 P HA 0.228 nan 4.420 nan 0.000 0.285 124 P C -0.400 176.972 177.300 0.120 0.000 1.269 124 P CA -0.439 62.757 63.100 0.160 0.000 0.844 124 P CB 1.235 33.138 31.700 0.339 0.000 1.094 125 T N -2.075 112.472 114.554 -0.012 0.000 2.750 125 T HA 0.124 4.477 4.350 0.005 0.000 0.286 125 T C 1.420 176.260 174.700 0.233 0.000 0.911 125 T CA -0.030 62.052 62.100 -0.029 0.000 1.130 125 T CB -0.909 67.731 68.868 -0.380 0.000 0.873 125 T HN 0.521 nan 8.240 nan 0.000 0.536 126 T N -0.122 114.640 114.554 0.346 0.000 2.985 126 T HA 0.071 4.423 4.350 0.005 0.000 0.266 126 T C 0.562 175.584 174.700 0.536 0.000 1.076 126 T CA 0.316 62.662 62.100 0.410 0.000 1.135 126 T CB -0.056 68.949 68.868 0.229 0.000 0.890 126 T HN 0.694 nan 8.240 nan 0.000 0.480 127 K N 0.388 121.034 120.400 0.410 0.000 2.606 127 K HA 0.173 4.495 4.320 0.005 0.000 0.259 127 K C -1.385 175.317 176.600 0.169 0.000 1.001 127 K CA -0.681 55.766 56.287 0.267 0.000 0.881 127 K CB 1.301 33.918 32.500 0.194 0.000 1.288 127 K HN 0.324 nan 8.250 nan 0.000 0.452 128 H N 1.935 121.058 119.070 0.087 0.000 2.584 128 H HA 0.199 4.758 4.556 0.004 0.000 0.299 128 H C 0.751 175.964 175.328 -0.191 0.000 1.548 128 H CA 0.053 56.064 56.048 -0.062 0.000 1.544 128 H CB 0.934 30.608 29.762 -0.146 0.000 1.732 128 H HN 0.688 nan 8.280 nan 0.000 0.813 129 H N 0.156 118.751 119.070 -0.792 0.000 2.457 129 H HA -0.136 4.422 4.556 0.004 0.000 0.297 129 H C 1.348 176.038 175.328 -1.063 0.000 1.092 129 H CA 1.368 56.689 56.048 -1.212 0.000 1.309 129 H CB -0.424 28.016 29.762 -2.203 0.000 1.382 129 H HN 0.568 nan 8.280 nan 0.000 0.535 130 D N -0.535 119.705 120.400 -0.267 0.000 2.363 130 D HA 0.015 4.658 4.640 0.005 0.000 0.226 130 D C 1.740 178.289 176.300 0.416 0.000 1.020 130 D CA 0.799 54.945 54.000 0.242 0.000 0.892 130 D CB -0.526 40.633 40.800 0.599 0.000 0.900 130 D HN 0.402 nan 8.370 nan 0.000 0.531 131 G N -0.150 108.820 108.800 0.283 0.000 2.189 131 G HA2 -0.319 3.644 3.960 0.005 0.000 0.267 131 G HA3 -0.319 3.644 3.960 0.005 0.000 0.267 131 G C -0.027 175.192 174.900 0.533 0.000 0.975 131 G CA 0.219 45.570 45.100 0.418 0.000 0.644 131 G HN 0.472 nan 8.290 nan 0.000 0.537 132 F N 1.960 122.084 119.950 0.290 0.000 2.427 132 F HA 0.559 5.088 4.527 0.003 0.000 0.352 132 F C 0.772 176.548 175.800 -0.040 0.000 1.100 132 F CA -0.844 57.075 58.000 -0.135 0.000 1.191 132 F CB 0.580 39.286 39.000 -0.491 0.000 1.128 132 F HN 0.171 nan 8.300 nan 0.000 0.533 133 C N 7.813 126.669 119.300 -0.739 0.000 2.295 133 C HA 0.322 4.785 4.460 0.005 0.000 0.331 133 C C 0.860 175.509 174.990 -0.568 0.000 1.280 133 C CA -0.870 57.850 59.018 -0.497 0.000 1.746 133 C CB 0.301 27.579 27.740 -0.770 0.000 2.328 133 C HN 0.797 nan 8.230 nan 0.000 0.521 134 L N 3.079 124.314 121.223 0.019 0.000 2.715 134 L HA 0.213 4.556 4.340 0.005 0.000 0.238 134 L C 0.111 177.150 176.870 0.282 0.000 1.212 134 L CA 0.552 55.450 54.840 0.098 0.000 1.017 134 L CB -1.028 41.145 42.059 0.190 0.000 1.269 134 L HN 0.903 nan 8.230 nan 0.000 0.452 135 W N -3.507 117.774 121.300 -0.031 0.000 3.042 135 W HA 0.671 5.338 4.660 0.012 0.000 0.342 135 W C 0.462 177.003 176.519 0.036 0.000 1.240 135 W CA -1.493 55.894 57.345 0.070 0.000 1.166 135 W CB 0.635 30.233 29.460 0.230 0.000 1.469 135 W HN -0.197 nan 8.180 nan 0.000 0.579 136 G N 1.961 110.797 108.800 0.060 0.000 3.213 136 G HA2 0.303 4.266 3.960 0.005 0.000 0.263 136 G HA3 0.303 4.266 3.960 0.005 0.000 0.263 136 G C -0.004 174.748 174.900 -0.246 0.000 0.829 136 G CA 0.129 45.160 45.100 -0.115 0.000 1.983 136 G HN 0.627 nan 8.290 nan 0.000 0.616 137 T N -0.244 113.877 114.554 -0.722 0.000 2.926 137 T HA 0.121 4.474 4.350 0.005 0.000 0.307 137 T C 1.636 176.137 174.700 -0.332 0.000 1.059 137 T CA 0.013 61.786 62.100 -0.545 0.000 1.122 137 T CB 0.556 68.942 68.868 -0.803 0.000 0.972 137 T HN 0.587 nan 8.240 nan 0.000 0.545 138 K N 2.745 122.883 120.400 -0.437 0.000 2.404 138 K HA 0.073 4.396 4.320 0.005 0.000 0.194 138 K C 0.423 176.724 176.600 -0.499 0.000 1.023 138 K CA 0.404 56.400 56.287 -0.485 0.000 1.094 138 K CB 0.049 32.230 32.500 -0.530 0.000 0.841 138 K HN 0.737 nan 8.250 nan 0.000 0.523 139 Y N 0.721 121.062 120.300 0.068 0.000 2.457 139 Y HA 0.191 4.744 4.550 0.004 0.000 0.263 139 Y C 0.557 176.628 175.900 0.284 0.000 1.164 139 Y CA -0.429 57.790 58.100 0.198 0.000 1.274 139 Y CB 1.153 39.768 38.460 0.259 0.000 1.097 139 Y HN 0.026 nan 8.280 nan 0.000 0.523 140 T N -1.048 113.647 114.554 0.234 0.000 2.942 140 T HA 0.157 4.510 4.350 0.005 0.000 0.327 140 T C -0.523 174.217 174.700 0.066 0.000 1.360 140 T CA -0.615 61.607 62.100 0.203 0.000 1.055 140 T CB 1.275 70.342 68.868 0.332 0.000 1.261 140 T HN -0.058 nan 8.240 nan 0.000 0.485 141 D N 1.527 121.981 120.400 0.089 0.000 2.349 141 D HA 0.120 4.763 4.640 0.005 0.000 0.215 141 D C 0.250 176.637 176.300 0.144 0.000 1.016 141 D CA 0.287 54.328 54.000 0.069 0.000 0.870 141 D CB 0.090 40.932 40.800 0.070 0.000 0.917 141 D HN 0.374 nan 8.370 nan 0.000 0.524 142 F N 2.962 122.905 119.950 -0.013 0.000 2.626 142 F HA 0.182 4.710 4.527 0.002 0.000 0.353 142 F C 0.009 175.664 175.800 -0.242 0.000 1.230 142 F CA -0.830 57.197 58.000 0.046 0.000 1.298 142 F CB -0.861 38.217 39.000 0.131 0.000 1.670 142 F HN -0.149 nan 8.300 nan 0.000 0.633 143 N N -1.554 116.862 118.700 -0.472 0.000 2.732 143 N HA 0.217 4.960 4.740 0.005 0.000 0.259 143 N C 0.170 175.340 175.510 -0.566 0.000 1.402 143 N CA -0.273 52.233 53.050 -0.906 0.000 0.829 143 N CB 0.865 39.011 38.487 -0.569 0.000 1.495 143 N HN -0.094 nan 8.380 nan 0.000 0.511 144 S N -1.021 114.371 115.700 -0.513 0.000 2.547 144 S HA -0.040 4.433 4.470 0.005 0.000 0.235 144 S C 1.114 175.678 174.600 -0.061 0.000 0.980 144 S CA 0.625 58.777 58.200 -0.081 0.000 0.941 144 S CB -0.489 62.679 63.200 -0.053 0.000 0.763 144 S HN 0.369 nan 8.310 nan 0.000 0.532 145 V N 1.379 121.241 119.914 -0.086 0.000 2.500 145 V HA 0.070 4.193 4.120 0.005 0.000 0.243 145 V C 2.412 178.489 176.094 -0.028 0.000 1.039 145 V CA 1.104 63.379 62.300 -0.041 0.000 1.053 145 V CB -0.278 31.523 31.823 -0.035 0.000 0.695 145 V HN 0.341 nan 8.190 nan 0.000 0.463 146 K N 0.273 120.653 120.400 -0.034 0.000 2.296 146 K HA 0.135 4.458 4.320 0.005 0.000 0.200 146 K C 0.927 177.545 176.600 0.030 0.000 1.048 146 K CA 0.626 56.912 56.287 -0.001 0.000 0.966 146 K CB 0.052 32.555 32.500 0.004 0.000 0.754 146 K HN 0.416 nan 8.250 nan 0.000 0.466 147 R N -1.634 118.899 120.500 0.054 0.000 2.869 147 R HA 0.404 4.747 4.340 0.005 0.000 0.263 147 R C 0.653 176.987 176.300 0.057 0.000 1.066 147 R CA -0.272 55.877 56.100 0.082 0.000 0.960 147 R CB 1.156 31.555 30.300 0.165 0.000 1.221 147 R HN 0.105 nan 8.270 nan 0.000 0.474 148 G N 1.339 110.146 108.800 0.012 0.000 2.672 148 G HA2 -0.334 3.629 3.960 0.005 0.000 0.332 148 G HA3 -0.334 3.629 3.960 0.005 0.000 0.332 148 G C -1.477 173.336 174.900 -0.145 0.000 1.213 148 G CA 0.635 45.691 45.100 -0.073 0.000 0.980 148 G HN 0.524 nan 8.290 nan 0.000 0.548 149 P HA 0.110 nan 4.420 nan 0.000 0.223 149 P C 0.530 177.764 177.300 -0.110 0.000 1.151 149 P CA 1.453 64.402 63.100 -0.252 0.000 0.787 149 P CB 0.057 31.505 31.700 -0.420 0.000 0.788 150 K N -0.778 119.580 120.400 -0.070 0.000 3.150 150 K HA -0.201 4.122 4.320 0.005 0.000 0.267 150 K C 0.092 176.682 176.600 -0.015 0.000 1.028 150 K CA 0.821 57.090 56.287 -0.030 0.000 0.753 150 K CB -1.871 30.616 32.500 -0.020 0.000 1.288 150 K HN 0.431 nan 8.250 nan 0.000 0.473 151 R N 0.538 121.025 120.500 -0.022 0.000 2.629 151 R HA 0.154 4.497 4.340 0.005 0.000 0.266 151 R C -1.655 174.671 176.300 0.042 0.000 1.051 151 R CA -0.700 55.414 56.100 0.024 0.000 0.895 151 R CB 1.330 31.656 30.300 0.044 0.000 1.246 151 R HN 0.010 nan 8.270 nan 0.000 0.459 152 D N 4.867 125.331 120.400 0.108 0.000 2.435 152 D HA 0.119 4.762 4.640 0.005 0.000 0.230 152 D C 1.022 177.437 176.300 0.192 0.000 1.215 152 D CA -0.146 53.952 54.000 0.164 0.000 0.947 152 D CB 0.593 41.527 40.800 0.222 0.000 1.048 152 D HN 0.551 nan 8.370 nan 0.000 0.512 153 L N 2.772 124.074 121.223 0.131 0.000 2.056 153 L HA -0.135 4.208 4.340 0.005 0.000 0.207 153 L C 2.318 179.344 176.870 0.261 0.000 1.078 153 L CA 0.490 55.405 54.840 0.124 0.000 0.749 153 L CB -0.361 41.612 42.059 -0.143 0.000 0.901 153 L HN 0.293 nan 8.230 nan 0.000 0.433 154 V N 0.500 120.529 119.914 0.192 0.000 2.261 154 V HA -0.189 3.934 4.120 0.005 0.000 0.246 154 V C 2.690 178.671 176.094 -0.190 0.000 1.047 154 V CA 2.079 64.427 62.300 0.079 0.000 1.015 154 V CB -1.336 30.448 31.823 -0.064 0.000 0.642 154 V HN 0.544 nan 8.190 nan 0.000 0.446 155 G N -0.224 108.455 108.800 -0.202 0.000 2.446 155 G HA2 -0.269 3.694 3.960 0.005 0.000 0.217 155 G HA3 -0.269 3.694 3.960 0.005 0.000 0.217 155 G C 1.241 176.130 174.900 -0.019 0.000 1.168 155 G CA 1.118 46.168 45.100 -0.084 0.000 0.771 155 G HN 0.500 nan 8.290 nan 0.000 0.551 156 D N -0.072 120.389 120.400 0.101 0.000 2.178 156 D HA -0.075 4.568 4.640 0.005 0.000 0.201 156 D C 2.334 178.643 176.300 0.015 0.000 0.980 156 D CA 0.481 54.525 54.000 0.073 0.000 0.842 156 D CB -0.185 40.715 40.800 0.165 0.000 0.948 156 D HN 0.271 nan 8.370 nan 0.000 0.472 157 L N 0.522 121.842 121.223 0.162 0.000 2.109 157 L HA 0.080 4.423 4.340 0.005 0.000 0.207 157 L C 2.055 178.829 176.870 -0.161 0.000 1.086 157 L CA 1.267 56.202 54.840 0.157 0.000 0.760 157 L CB -0.566 41.801 42.059 0.513 0.000 0.910 157 L HN -0.053 nan 8.230 nan 0.000 0.437 158 A N -0.331 122.146 122.820 -0.572 0.000 1.902 158 A HA -0.221 4.102 4.320 0.005 0.000 0.217 158 A C 2.301 179.604 177.584 -0.469 0.000 1.181 158 A CA 1.923 53.251 52.037 -1.183 0.000 0.623 158 A CB -0.470 17.777 19.000 -1.254 0.000 0.818 158 A HN 0.497 nan 8.150 nan 0.000 0.443 159 K N -0.296 119.954 120.400 -0.251 0.000 2.026 159 K HA -0.064 4.259 4.320 0.005 0.000 0.208 159 K C 2.341 178.873 176.600 -0.114 0.000 1.048 159 K CA 1.165 57.371 56.287 -0.135 0.000 0.929 159 K CB -0.352 32.098 32.500 -0.083 0.000 0.713 159 K HN 0.432 nan 8.250 nan 0.000 0.439 160 A N 1.182 123.931 122.820 -0.119 0.000 1.902 160 A HA -0.117 4.206 4.320 0.005 0.000 0.217 160 A C 2.417 179.986 177.584 -0.025 0.000 1.181 160 A CA 1.391 53.374 52.037 -0.090 0.000 0.623 160 A CB -0.668 18.251 19.000 -0.136 0.000 0.818 160 A HN 0.070 nan 8.150 nan 0.000 0.443 161 V N -0.135 119.786 119.914 0.012 0.000 2.343 161 V HA -0.261 3.862 4.120 0.005 0.000 0.247 161 V C 2.644 178.774 176.094 0.060 0.000 1.051 161 V CA 2.298 64.666 62.300 0.113 0.000 1.036 161 V CB -0.794 31.173 31.823 0.241 0.000 0.654 161 V HN 0.525 nan 8.190 nan 0.000 0.451 162 R N -0.424 120.073 120.500 -0.004 0.000 2.092 162 R HA -0.112 4.231 4.340 0.005 0.000 0.231 162 R C 2.366 178.658 176.300 -0.013 0.000 1.119 162 R CA 1.068 57.163 56.100 -0.008 0.000 0.970 162 R CB -0.261 30.017 30.300 -0.037 0.000 0.864 162 R HN 0.448 nan 8.270 nan 0.000 0.440 163 E N 0.631 120.816 120.200 -0.026 0.000 2.118 163 E HA -0.159 4.194 4.350 0.005 0.000 0.195 163 E C 1.769 178.359 176.600 -0.015 0.000 0.992 163 E CA 1.451 57.834 56.400 -0.028 0.000 0.804 163 E CB -0.161 29.513 29.700 -0.043 0.000 0.741 163 E HN 0.341 nan 8.360 nan 0.000 0.458 164 A N -0.321 122.498 122.820 -0.001 0.000 2.209 164 A HA 0.194 4.517 4.320 0.005 0.000 0.212 164 A C 1.687 179.281 177.584 0.016 0.000 1.158 164 A CA 1.258 53.301 52.037 0.011 0.000 0.742 164 A CB -0.253 18.768 19.000 0.035 0.000 0.790 164 A HN 0.297 nan 8.150 nan 0.000 0.472 165 G N -1.670 107.137 108.800 0.012 0.000 2.141 165 G HA2 -0.196 3.767 3.960 0.005 0.000 0.242 165 G HA3 -0.196 3.767 3.960 0.005 0.000 0.242 165 G C 0.009 174.919 174.900 0.017 0.000 0.982 165 G CA 0.328 45.432 45.100 0.006 0.000 0.662 165 G HN 0.466 nan 8.290 nan 0.000 0.527 166 L N 0.143 121.394 121.223 0.048 0.000 2.352 166 L HA 0.674 5.016 4.340 0.005 0.000 0.269 166 L C 1.017 177.930 176.870 0.071 0.000 1.034 166 L CA -1.385 53.498 54.840 0.072 0.000 0.806 166 L CB 0.825 42.956 42.059 0.121 0.000 1.244 166 L HN -0.054 nan 8.230 nan 0.000 0.447 167 R N 1.000 121.524 120.500 0.040 0.000 2.594 167 R HA 0.288 4.630 4.340 0.005 0.000 0.272 167 R C -1.026 175.407 176.300 0.223 0.000 1.074 167 R CA -0.150 55.923 56.100 -0.046 0.000 1.105 167 R CB 0.740 30.749 30.300 -0.485 0.000 1.008 167 R HN 0.364 nan 8.270 nan 0.000 0.472 168 F N 0.615 120.604 119.950 0.064 0.000 2.477 168 F HA 0.538 5.068 4.527 0.004 0.000 0.335 168 F C -0.029 175.905 175.800 0.223 0.000 1.130 168 F CA -0.392 57.701 58.000 0.156 0.000 0.948 168 F CB 1.653 40.727 39.000 0.123 0.000 1.154 168 F HN 0.561 nan 8.300 nan 0.000 0.439 169 G N 3.439 112.075 108.800 -0.274 0.000 2.735 169 G HA2 0.650 4.612 3.960 0.005 0.000 0.301 169 G HA3 0.650 4.612 3.960 0.005 0.000 0.301 169 G C -1.687 172.954 174.900 -0.433 0.000 1.279 169 G CA -0.734 44.301 45.100 -0.108 0.000 1.019 169 G HN 0.963 nan 8.290 nan 0.000 0.497 170 V N -2.155 117.727 119.914 -0.054 0.000 2.709 170 V HA 0.687 4.810 4.120 0.005 0.000 0.308 170 V C -1.118 175.129 176.094 0.255 0.000 1.062 170 V CA -1.294 61.008 62.300 0.004 0.000 0.901 170 V CB 1.189 33.030 31.823 0.031 0.000 1.003 170 V HN 0.810 nan 8.190 nan 0.000 0.425 171 Y N 4.782 125.179 120.300 0.161 0.000 2.323 171 Y HA 0.732 5.284 4.550 0.004 0.000 0.331 171 Y C -1.284 174.780 175.900 0.273 0.000 1.092 171 Y CA -0.735 57.527 58.100 0.270 0.000 1.150 171 Y CB 1.638 40.187 38.460 0.149 0.000 1.200 171 Y HN 0.848 nan 8.280 nan 0.000 0.472 172 Y N 4.476 124.599 120.300 -0.295 0.000 2.386 172 Y HA 0.312 4.863 4.550 0.003 0.000 0.334 172 Y C -0.720 174.971 175.900 -0.349 0.000 1.002 172 Y CA -0.879 57.141 58.100 -0.133 0.000 1.068 172 Y CB 1.871 40.361 38.460 0.050 0.000 1.203 172 Y HN 0.615 nan 8.280 nan 0.000 0.443 173 S N 4.255 119.548 115.700 -0.679 0.000 3.530 173 S HA 0.223 4.696 4.470 0.005 0.000 0.279 173 S C 1.101 175.482 174.600 -0.365 0.000 1.280 173 S CA 0.427 58.367 58.200 -0.432 0.000 0.946 173 S CB -0.590 62.451 63.200 -0.265 0.000 1.501 173 S HN 1.057 nan 8.310 nan 0.000 0.498 174 G N 3.257 112.026 108.800 -0.052 0.000 2.403 174 G HA2 -0.004 3.959 3.960 0.005 0.000 0.216 174 G HA3 -0.004 3.959 3.960 0.005 0.000 0.216 174 G C 1.307 176.147 174.900 -0.101 0.000 1.154 174 G CA 0.505 45.612 45.100 0.011 0.000 0.784 174 G HN 0.728 nan 8.290 nan 0.000 0.538 175 G N -0.130 108.614 108.800 -0.093 0.000 2.421 175 G HA2 0.219 4.182 3.960 0.005 0.000 0.217 175 G HA3 0.219 4.182 3.960 0.005 0.000 0.217 175 G C 0.550 175.319 174.900 -0.217 0.000 1.143 175 G CA 0.206 45.234 45.100 -0.119 0.000 0.784 175 G HN 0.371 nan 8.290 nan 0.000 0.541 176 L N -0.175 120.863 121.223 -0.307 0.000 2.370 176 L HA 0.550 4.893 4.340 0.005 0.000 0.266 176 L C -1.615 174.986 176.870 -0.448 0.000 1.002 176 L CA -0.891 53.678 54.840 -0.452 0.000 0.818 176 L CB 2.760 44.381 42.059 -0.731 0.000 1.325 176 L HN -0.124 nan 8.230 nan 0.000 0.418 177 D N 1.252 121.390 120.400 -0.437 0.000 2.354 177 D HA 0.124 4.766 4.640 0.005 0.000 0.230 177 D C -0.046 176.264 176.300 0.015 0.000 1.361 177 D CA -0.355 53.531 54.000 -0.190 0.000 0.992 177 D CB 1.007 41.856 40.800 0.081 0.000 1.409 177 D HN 0.381 nan 8.370 nan 0.000 0.573 178 W N 2.715 124.044 121.300 0.047 0.000 2.721 178 W HA 0.026 4.688 4.660 0.003 0.000 0.245 178 W C 1.621 178.149 176.519 0.016 0.000 1.276 178 W CA -0.097 57.246 57.345 -0.004 0.000 1.342 178 W CB -0.347 29.079 29.460 -0.057 0.000 1.135 178 W HN 0.345 nan 8.180 nan 0.000 0.654 179 R N -0.399 120.246 120.500 0.242 0.000 2.316 179 R HA -0.038 4.305 4.340 0.005 0.000 0.202 179 R C 0.841 177.007 176.300 -0.224 0.000 1.029 179 R CA 0.664 56.749 56.100 -0.025 0.000 1.018 179 R CB -0.827 29.409 30.300 -0.107 0.000 0.888 179 R HN 0.209 nan 8.270 nan 0.000 0.471 180 F N -0.167 119.757 119.950 -0.043 0.000 2.682 180 F HA 0.131 4.663 4.527 0.007 0.000 0.308 180 F C 0.957 176.714 175.800 -0.071 0.000 1.093 180 F CA -0.195 57.750 58.000 -0.092 0.000 1.244 180 F CB 0.477 39.358 39.000 -0.197 0.000 1.052 180 F HN -0.190 nan 8.300 nan 0.000 0.573 181 T N -4.093 110.527 114.554 0.110 0.000 2.887 181 T HA 0.497 4.850 4.350 0.005 0.000 0.292 181 T C 0.668 175.371 174.700 0.005 0.000 1.087 181 T CA 0.090 62.219 62.100 0.049 0.000 1.009 181 T CB 2.047 70.944 68.868 0.049 0.000 1.203 181 T HN 0.000 nan 8.240 nan 0.000 0.518 182 T N -2.898 111.639 114.554 -0.029 0.000 2.989 182 T HA 0.294 4.647 4.350 0.005 0.000 0.250 182 T C 0.382 175.028 174.700 -0.090 0.000 0.981 182 T CA -0.034 62.035 62.100 -0.051 0.000 0.980 182 T CB -0.078 68.769 68.868 -0.035 0.000 1.133 182 T HN 0.597 nan 8.240 nan 0.000 0.489 183 E N 4.182 124.328 120.200 -0.090 0.000 2.313 183 E HA 0.421 4.774 4.350 0.005 0.000 0.276 183 E C -2.406 174.066 176.600 -0.212 0.000 1.031 183 E CA -2.397 53.933 56.400 -0.116 0.000 0.857 183 E CB 0.917 30.579 29.700 -0.063 0.000 1.040 183 E HN 0.268 nan 8.360 nan 0.000 0.408 184 P HA 0.190 nan 4.420 nan 0.000 0.278 184 P C -0.478 176.617 177.300 -0.341 0.000 1.258 184 P CA -0.462 62.421 63.100 -0.363 0.000 0.811 184 P CB 0.762 32.264 31.700 -0.331 0.000 1.063 185 I N 2.495 122.834 120.570 -0.386 0.000 2.352 185 I HA 0.191 4.364 4.170 0.005 0.000 0.290 185 I C 1.731 177.487 176.117 -0.601 0.000 1.036 185 I CA 0.089 61.111 61.300 -0.463 0.000 1.336 185 I CB 0.500 38.230 38.000 -0.449 0.000 1.407 185 I HN 0.439 nan 8.210 nan 0.000 0.497 186 R N 4.299 124.460 120.500 -0.566 0.000 2.257 186 R HA 0.204 4.546 4.340 0.005 0.000 0.195 186 R C -0.570 175.250 176.300 -0.801 0.000 0.921 186 R CA 0.366 56.008 56.100 -0.763 0.000 1.069 186 R CB 0.639 30.573 30.300 -0.610 0.000 1.115 186 R HN 0.456 nan 8.270 nan 0.000 0.571 187 Y N -0.931 119.301 120.300 -0.114 0.000 2.553 187 Y HA 0.273 4.826 4.550 0.005 0.000 0.347 187 Y C -1.913 173.970 175.900 -0.029 0.000 1.019 187 Y CA -2.707 55.459 58.100 0.110 0.000 1.032 187 Y CB 1.727 40.274 38.460 0.145 0.000 1.284 187 Y HN -0.205 nan 8.280 nan 0.000 0.466 188 P HA -0.208 nan 4.420 nan 0.000 0.217 188 P C 0.692 178.049 177.300 0.095 0.000 1.151 188 P CA 1.828 65.055 63.100 0.212 0.000 0.849 188 P CB 0.384 32.218 31.700 0.223 0.000 0.787 189 E N -0.573 119.710 120.200 0.139 0.000 2.160 189 E HA -0.186 4.167 4.350 0.005 0.000 0.195 189 E C 1.617 178.254 176.600 0.062 0.000 0.991 189 E CA 1.236 57.706 56.400 0.116 0.000 0.810 189 E CB -0.992 28.797 29.700 0.147 0.000 0.742 189 E HN 0.338 nan 8.360 nan 0.000 0.466 190 D N -0.005 120.368 120.400 -0.045 0.000 2.218 190 D HA -0.123 4.520 4.640 0.005 0.000 0.204 190 D C 1.670 177.690 176.300 -0.466 0.000 0.976 190 D CA 0.623 54.400 54.000 -0.373 0.000 0.853 190 D CB -0.131 40.462 40.800 -0.346 0.000 0.939 190 D HN 0.228 nan 8.370 nan 0.000 0.481 191 L N 0.926 122.016 121.223 -0.222 0.000 2.362 191 L HA -0.117 4.226 4.340 0.005 0.000 0.219 191 L C 2.260 179.069 176.870 -0.102 0.000 1.134 191 L CA 0.883 55.636 54.840 -0.145 0.000 0.807 191 L CB -0.363 41.674 42.059 -0.036 0.000 0.927 191 L HN 0.046 nan 8.230 nan 0.000 0.447 192 S N -0.764 114.907 115.700 -0.049 0.000 2.522 192 S HA -0.130 4.343 4.470 0.005 0.000 0.227 192 S C 1.421 176.086 174.600 0.107 0.000 0.986 192 S CA 0.671 58.901 58.200 0.051 0.000 0.929 192 S CB -0.187 63.083 63.200 0.116 0.000 0.769 192 S HN 0.679 nan 8.310 nan 0.000 0.529 193 Y N -1.033 119.259 120.300 -0.013 0.000 2.459 193 Y HA 0.555 5.108 4.550 0.004 0.000 0.271 193 Y C 0.281 176.163 175.900 -0.030 0.000 1.063 193 Y CA -1.092 56.996 58.100 -0.021 0.000 1.216 193 Y CB 0.262 38.713 38.460 -0.014 0.000 1.335 193 Y HN 0.107 nan 8.280 nan 0.000 0.550 194 I N 4.691 124.960 120.570 -0.502 0.000 2.241 194 I HA 0.350 4.522 4.170 0.005 0.000 0.294 194 I C -0.480 175.538 176.117 -0.164 0.000 1.145 194 I CA -0.078 61.042 61.300 -0.300 0.000 1.261 194 I CB -0.169 37.586 38.000 -0.408 0.000 1.475 194 I HN 0.166 nan 8.210 nan 0.000 0.533 195 R N 4.688 125.118 120.500 -0.117 0.000 2.799 195 R HA 0.392 4.735 4.340 0.005 0.000 0.270 195 R C -2.120 174.066 176.300 -0.190 0.000 1.010 195 R CA -1.798 54.205 56.100 -0.161 0.000 0.916 195 R CB 0.776 30.988 30.300 -0.147 0.000 1.228 195 R HN -0.035 nan 8.270 nan 0.000 0.469 196 P HA -0.125 nan 4.420 nan 0.000 0.215 196 P C -0.097 177.100 177.300 -0.171 0.000 1.157 196 P CA 1.300 64.173 63.100 -0.378 0.000 0.874 196 P CB 0.292 31.306 31.700 -1.143 0.000 0.790 197 N N -3.753 114.847 118.700 -0.166 0.000 2.951 197 N HA -0.129 4.614 4.740 0.005 0.000 0.218 197 N C 0.200 175.637 175.510 -0.122 0.000 0.858 197 N CA 1.914 54.902 53.050 -0.104 0.000 1.050 197 N CB -2.251 36.201 38.487 -0.058 0.000 1.012 197 N HN 0.366 nan 8.380 nan 0.000 0.611 198 T N -2.791 111.722 114.554 -0.069 0.000 2.874 198 T HA 0.453 4.806 4.350 0.005 0.000 0.281 198 T C 1.299 175.932 174.700 -0.111 0.000 0.994 198 T CA -0.409 61.653 62.100 -0.062 0.000 1.015 198 T CB 0.769 69.690 68.868 0.087 0.000 1.028 198 T HN 0.100 nan 8.240 nan 0.000 0.523 199 Y N -0.116 120.218 120.300 0.057 0.000 2.200 199 Y HA -0.041 4.511 4.550 0.003 0.000 0.290 199 Y C 2.855 178.782 175.900 0.045 0.000 1.137 199 Y CA 1.658 59.782 58.100 0.040 0.000 1.163 199 Y CB -0.275 38.201 38.460 0.027 0.000 0.988 199 Y HN 0.851 nan 8.280 nan 0.000 0.518 200 E N -0.351 119.981 120.200 0.220 0.000 2.065 200 E HA -0.341 4.012 4.350 0.005 0.000 0.201 200 E C 2.011 178.693 176.600 0.137 0.000 1.016 200 E CA 1.862 58.370 56.400 0.180 0.000 0.818 200 E CB -0.434 29.388 29.700 0.204 0.000 0.749 200 E HN 0.587 nan 8.360 nan 0.000 0.453 201 Y N 0.428 120.696 120.300 -0.054 0.000 2.200 201 Y HA -0.132 4.420 4.550 0.003 0.000 0.290 201 Y C 2.057 177.879 175.900 -0.130 0.000 1.137 201 Y CA 1.538 59.487 58.100 -0.252 0.000 1.163 201 Y CB -0.529 37.591 38.460 -0.566 0.000 0.988 201 Y HN 0.131 nan 8.280 nan 0.000 0.518 202 A N 0.093 122.836 122.820 -0.128 0.000 1.940 202 A HA -0.225 4.098 4.320 0.005 0.000 0.219 202 A C 1.909 179.446 177.584 -0.077 0.000 1.176 202 A CA 2.168 54.107 52.037 -0.163 0.000 0.631 202 A CB -0.822 18.167 19.000 -0.018 0.000 0.814 202 A HN 0.526 nan 8.150 nan 0.000 0.446 203 D N -2.009 118.389 120.400 -0.003 0.000 2.144 203 D HA -0.114 4.529 4.640 0.005 0.000 0.200 203 D C 1.658 177.981 176.300 0.039 0.000 0.978 203 D CA 1.348 55.376 54.000 0.046 0.000 0.833 203 D CB -0.428 40.405 40.800 0.055 0.000 0.961 203 D HN 0.605 nan 8.370 nan 0.000 0.470 204 Y N 1.634 121.824 120.300 -0.183 0.000 2.145 204 Y HA -0.201 4.351 4.550 0.003 0.000 0.286 204 Y C 2.200 177.969 175.900 -0.218 0.000 1.145 204 Y CA 1.871 59.851 58.100 -0.200 0.000 1.148 204 Y CB -0.400 37.970 38.460 -0.150 0.000 0.981 204 Y HN -0.053 nan 8.280 nan 0.000 0.507 205 A N -0.626 121.972 122.820 -0.369 0.000 1.898 205 A HA -0.213 4.110 4.320 0.005 0.000 0.216 205 A C 2.172 179.760 177.584 0.008 0.000 1.181 205 A CA 1.566 53.395 52.037 -0.348 0.000 0.620 205 A CB -1.577 16.964 19.000 -0.764 0.000 0.819 205 A HN 0.737 nan 8.150 nan 0.000 0.442 206 Y N 0.890 121.226 120.300 0.059 0.000 2.145 206 Y HA -0.197 4.355 4.550 0.003 0.000 0.286 206 Y C 2.153 178.000 175.900 -0.088 0.000 1.145 206 Y CA 2.340 60.515 58.100 0.126 0.000 1.148 206 Y CB -0.274 38.232 38.460 0.077 0.000 0.981 206 Y HN 0.259 nan 8.280 nan 0.000 0.507 207 K N -0.057 120.266 120.400 -0.128 0.000 2.097 207 K HA -0.189 4.134 4.320 0.005 0.000 0.206 207 K C 2.134 178.553 176.600 -0.302 0.000 1.049 207 K CA 1.838 57.903 56.287 -0.369 0.000 0.933 207 K CB -0.175 31.925 32.500 -0.667 0.000 0.717 207 K HN 0.516 nan 8.250 nan 0.000 0.442 208 Q N 0.089 119.723 119.800 -0.277 0.000 2.137 208 Q HA -0.057 4.286 4.340 0.005 0.000 0.198 208 Q C 2.146 178.056 176.000 -0.150 0.000 0.960 208 Q CA 0.936 56.724 55.803 -0.026 0.000 0.847 208 Q CB 0.185 28.927 28.738 0.007 0.000 0.915 208 Q HN 0.110 nan 8.270 nan 0.000 0.448 209 V N 0.847 120.544 119.914 -0.362 0.000 2.453 209 V HA -0.235 3.888 4.120 0.005 0.000 0.247 209 V C 2.265 178.212 176.094 -0.245 0.000 1.048 209 V CA 1.190 63.288 62.300 -0.336 0.000 1.049 209 V CB -0.365 31.311 31.823 -0.245 0.000 0.672 209 V HN 0.402 nan 8.190 nan 0.000 0.457 210 M N -0.319 119.078 119.600 -0.340 0.000 2.108 210 M HA -0.219 4.264 4.480 0.005 0.000 0.261 210 M C 2.201 178.438 176.300 -0.104 0.000 1.066 210 M CA 1.801 56.904 55.300 -0.328 0.000 1.107 210 M CB -1.106 31.124 32.600 -0.617 0.000 1.356 210 M HN 0.490 nan 8.290 nan 0.000 0.406 211 E N 0.339 120.526 120.200 -0.022 0.000 2.077 211 E HA -0.164 4.189 4.350 0.005 0.000 0.193 211 E C 2.129 178.721 176.600 -0.015 0.000 0.989 211 E CA 0.865 57.325 56.400 0.100 0.000 0.800 211 E CB 0.028 29.943 29.700 0.358 0.000 0.746 211 E HN 0.467 nan 8.360 nan 0.000 0.452 212 L N 0.179 121.348 121.223 -0.089 0.000 2.083 212 L HA -0.165 4.178 4.340 0.005 0.000 0.209 212 L C 2.500 179.373 176.870 0.005 0.000 1.083 212 L CA 0.586 55.351 54.840 -0.124 0.000 0.752 212 L CB -0.313 41.622 42.059 -0.206 0.000 0.899 212 L HN 0.097 nan 8.230 nan 0.000 0.433 213 V N -0.257 119.666 119.914 0.014 0.000 2.307 213 V HA -0.279 3.844 4.120 0.005 0.000 0.245 213 V C 2.162 178.318 176.094 0.103 0.000 1.045 213 V CA 1.897 64.267 62.300 0.116 0.000 1.024 213 V CB -0.445 31.486 31.823 0.180 0.000 0.651 213 V HN 0.411 nan 8.190 nan 0.000 0.449 214 D N 0.155 120.603 120.400 0.080 0.000 2.104 214 D HA -0.138 4.505 4.640 0.005 0.000 0.194 214 D C 2.093 178.337 176.300 -0.094 0.000 0.994 214 D CA 1.418 55.444 54.000 0.043 0.000 0.830 214 D CB -0.266 40.575 40.800 0.068 0.000 0.959 214 D HN 0.337 nan 8.370 nan 0.000 0.452 215 L N -1.185 119.871 121.223 -0.279 0.000 2.156 215 L HA -0.105 4.238 4.340 0.005 0.000 0.208 215 L C 1.364 177.801 176.870 -0.722 0.000 1.095 215 L CA 0.962 55.422 54.840 -0.633 0.000 0.770 215 L CB -0.138 41.226 42.059 -1.158 0.000 0.914 215 L HN 0.131 nan 8.230 nan 0.000 0.439 216 Y N -2.773 117.562 120.300 0.058 0.000 2.540 216 Y HA 0.272 4.824 4.550 0.004 0.000 0.257 216 Y C 0.416 176.394 175.900 0.130 0.000 1.090 216 Y CA -1.116 57.036 58.100 0.087 0.000 1.242 216 Y CB 0.540 39.085 38.460 0.142 0.000 1.325 216 Y HN -0.203 nan 8.280 nan 0.000 0.544 217 L N 2.694 124.046 121.223 0.215 0.000 3.995 217 L HA -0.194 4.149 4.340 0.005 0.000 0.513 217 L C -2.795 174.289 176.870 0.357 0.000 1.147 217 L CA -0.589 54.398 54.840 0.244 0.000 0.703 217 L CB -1.088 41.023 42.059 0.088 0.000 1.306 217 L HN -0.032 nan 8.230 nan 0.000 0.779 218 P HA 0.105 nan 4.420 nan 0.000 0.270 218 P C 0.470 178.124 177.300 0.589 0.000 1.223 218 P CA -0.093 63.288 63.100 0.469 0.000 0.785 218 P CB 0.497 32.395 31.700 0.331 0.000 0.923 219 D N -0.330 120.367 120.400 0.495 0.000 2.317 219 D HA 0.036 4.679 4.640 0.005 0.000 0.211 219 D C 0.149 176.826 176.300 0.628 0.000 0.966 219 D CA 1.111 55.437 54.000 0.543 0.000 0.876 219 D CB 0.308 41.238 40.800 0.217 0.000 0.927 219 D HN 0.076 nan 8.370 nan 0.000 0.519 220 V N 1.183 121.403 119.914 0.510 0.000 2.851 220 V HA 0.285 4.408 4.120 0.005 0.000 0.307 220 V C -0.608 175.695 176.094 0.347 0.000 1.129 220 V CA -0.764 61.821 62.300 0.474 0.000 0.932 220 V CB 2.894 35.034 31.823 0.528 0.000 1.024 220 V HN -0.119 nan 8.190 nan 0.000 0.426 221 L N 3.364 124.749 121.223 0.270 0.000 2.294 221 L HA 0.465 4.808 4.340 0.005 0.000 0.283 221 L C -1.252 175.853 176.870 0.391 0.000 1.015 221 L CA -0.095 54.880 54.840 0.226 0.000 0.831 221 L CB 1.478 43.547 42.059 0.016 0.000 1.217 221 L HN 0.753 nan 8.230 nan 0.000 0.420 222 W N 5.023 126.417 121.300 0.155 0.000 2.347 222 W HA 0.311 4.974 4.660 0.004 0.000 0.321 222 W C 0.278 176.677 176.519 -0.199 0.000 0.971 222 W CA -0.382 57.010 57.345 0.079 0.000 1.508 222 W CB 1.148 30.757 29.460 0.249 0.000 1.299 222 W HN 0.450 nan 8.180 nan 0.000 0.399 223 N N 2.951 121.363 118.700 -0.480 0.000 2.483 223 N HA 0.197 4.940 4.740 0.005 0.000 0.269 223 N C -1.088 174.139 175.510 -0.472 0.000 1.209 223 N CA 0.420 53.047 53.050 -0.706 0.000 0.969 223 N CB 1.005 38.448 38.487 -1.740 0.000 1.173 223 N HN 0.307 nan 8.380 nan 0.000 0.475 224 D N 1.106 121.317 120.400 -0.315 0.000 2.645 224 D HA 0.363 5.006 4.640 0.005 0.000 0.228 224 D C -0.173 176.101 176.300 -0.044 0.000 1.148 224 D CA -0.170 53.789 54.000 -0.068 0.000 0.860 224 D CB 0.907 41.817 40.800 0.182 0.000 1.548 224 D HN 0.529 nan 8.370 nan 0.000 0.460 225 M N 0.870 120.489 119.600 0.032 0.000 2.872 225 M HA -0.136 4.347 4.480 0.005 0.000 0.200 225 M C 0.494 176.792 176.300 -0.002 0.000 0.582 225 M CA 1.232 56.543 55.300 0.019 0.000 0.706 225 M CB -2.208 30.359 32.600 -0.055 0.000 2.560 225 M HN 0.886 nan 8.290 nan 0.000 0.476 226 G N -0.431 108.369 108.800 0.001 0.000 2.795 226 G HA2 -0.182 3.781 3.960 0.005 0.000 0.664 226 G HA3 -0.182 3.781 3.960 0.005 0.000 0.664 226 G C -0.899 174.108 174.900 0.178 0.000 1.381 226 G CA -0.135 45.014 45.100 0.082 0.000 0.853 226 G HN 0.641 nan 8.290 nan 0.000 0.545 227 W N 1.642 122.989 121.300 0.078 0.000 2.736 227 W HA 0.558 5.221 4.660 0.005 0.000 0.335 227 W C -2.001 174.592 176.519 0.124 0.000 1.059 227 W CA -1.906 55.526 57.345 0.145 0.000 1.226 227 W CB 2.145 31.761 29.460 0.261 0.000 1.416 227 W HN 0.603 nan 8.180 nan 0.000 0.505 228 P HA -0.123 nan 4.420 nan 0.000 0.260 228 P C 0.501 177.831 177.300 0.050 0.000 1.172 228 P CA 0.807 63.827 63.100 -0.132 0.000 0.760 228 P CB 0.874 32.451 31.700 -0.204 0.000 0.773 229 E N 3.838 124.071 120.200 0.055 0.000 2.086 229 E HA -0.244 4.109 4.350 0.005 0.000 0.200 229 E C 1.540 178.200 176.600 0.099 0.000 1.012 229 E CA 1.927 58.380 56.400 0.089 0.000 0.812 229 E CB -0.330 29.395 29.700 0.041 0.000 0.743 229 E HN 0.422 nan 8.360 nan 0.000 0.453 230 K N -1.526 118.891 120.400 0.029 0.000 2.280 230 K HA -0.049 4.274 4.320 0.005 0.000 0.202 230 K C 1.741 178.413 176.600 0.120 0.000 1.047 230 K CA 1.046 57.352 56.287 0.033 0.000 0.942 230 K CB -0.076 32.340 32.500 -0.141 0.000 0.739 230 K HN 0.223 nan 8.250 nan 0.000 0.457 231 G N 0.288 109.194 108.800 0.177 0.000 3.088 231 G HA2 -0.047 3.915 3.960 0.005 0.000 0.217 231 G HA3 -0.047 3.915 3.960 0.005 0.000 0.217 231 G C 0.887 176.070 174.900 0.472 0.000 1.159 231 G CA -0.245 45.054 45.100 0.331 0.000 0.760 231 G HN 0.107 nan 8.290 nan 0.000 0.550 232 K N 0.573 121.212 120.400 0.399 0.000 2.103 232 K HA -0.076 4.247 4.320 0.005 0.000 0.207 232 K C 2.084 178.810 176.600 0.210 0.000 1.048 232 K CA 1.006 57.491 56.287 0.330 0.000 0.930 232 K CB 0.059 32.722 32.500 0.271 0.000 0.716 232 K HN 0.130 nan 8.250 nan 0.000 0.444 233 E N 1.047 121.359 120.200 0.186 0.000 2.204 233 E HA -0.156 4.197 4.350 0.005 0.000 0.194 233 E C 1.424 178.055 176.600 0.051 0.000 0.989 233 E CA 0.931 57.411 56.400 0.132 0.000 0.824 233 E CB -0.119 29.659 29.700 0.130 0.000 0.756 233 E HN 0.305 nan 8.360 nan 0.000 0.477 234 D N 0.787 121.222 120.400 0.057 0.000 2.182 234 D HA -0.144 4.499 4.640 0.005 0.000 0.201 234 D C 2.077 178.313 176.300 -0.107 0.000 0.986 234 D CA 0.513 54.527 54.000 0.022 0.000 0.847 234 D CB -0.299 40.460 40.800 -0.068 0.000 0.942 234 D HN 0.227 nan 8.370 nan 0.000 0.467 235 L N 0.556 121.566 121.223 -0.355 0.000 2.187 235 L HA -0.172 4.170 4.340 0.005 0.000 0.213 235 L C 2.279 178.560 176.870 -0.981 0.000 1.100 235 L CA 1.053 55.363 54.840 -0.884 0.000 0.765 235 L CB -0.357 41.020 42.059 -1.136 0.000 0.904 235 L HN 0.021 nan 8.230 nan 0.000 0.437 236 K N -0.477 119.413 120.400 -0.850 0.000 2.057 236 K HA -0.182 4.141 4.320 0.005 0.000 0.207 236 K C 2.034 178.172 176.600 -0.770 0.000 1.049 236 K CA 1.613 57.243 56.287 -1.095 0.000 0.931 236 K CB -0.255 31.414 32.500 -1.386 0.000 0.714 236 K HN 0.263 nan 8.250 nan 0.000 0.440 237 Y N 0.818 120.916 120.300 -0.336 0.000 2.243 237 Y HA -0.084 4.469 4.550 0.006 0.000 0.293 237 Y C 2.251 178.095 175.900 -0.094 0.000 1.124 237 Y CA 0.509 58.512 58.100 -0.161 0.000 1.159 237 Y CB -0.303 38.092 38.460 -0.109 0.000 1.008 237 Y HN -0.038 nan 8.280 nan 0.000 0.527 238 L N -0.842 120.362 121.223 -0.031 0.000 2.017 238 L HA -0.222 4.121 4.340 0.005 0.000 0.208 238 L C 2.095 178.957 176.870 -0.014 0.000 1.073 238 L CA 1.569 56.362 54.840 -0.079 0.000 0.745 238 L CB -0.409 41.492 42.059 -0.264 0.000 0.894 238 L HN 0.228 nan 8.230 nan 0.000 0.432 239 F N -0.774 118.955 119.950 -0.368 0.000 2.186 239 F HA -0.218 4.312 4.527 0.005 0.000 0.299 239 F C 2.554 178.085 175.800 -0.448 0.000 1.090 239 F CA 0.267 57.936 58.000 -0.552 0.000 1.307 239 F CB -0.369 38.278 39.000 -0.589 0.000 1.019 239 F HN 0.239 nan 8.300 nan 0.000 0.489 240 A N -0.295 122.508 122.820 -0.029 0.000 1.897 240 A HA -0.242 4.081 4.320 0.005 0.000 0.215 240 A C 1.868 179.529 177.584 0.128 0.000 1.181 240 A CA 1.123 53.188 52.037 0.045 0.000 0.620 240 A CB -1.302 17.711 19.000 0.022 0.000 0.821 240 A HN 0.489 nan 8.150 nan 0.000 0.443 241 Y N -0.965 119.346 120.300 0.017 0.000 2.097 241 Y HA -0.327 4.226 4.550 0.005 0.000 0.282 241 Y C 2.244 178.183 175.900 0.066 0.000 1.152 241 Y CA 2.218 60.349 58.100 0.051 0.000 1.136 241 Y CB -0.700 37.788 38.460 0.046 0.000 0.975 241 Y HN 0.464 nan 8.280 nan 0.000 0.498 242 Y N -0.918 119.399 120.300 0.028 0.000 2.114 242 Y HA -0.354 4.199 4.550 0.005 0.000 0.284 242 Y C 2.025 177.859 175.900 -0.110 0.000 1.143 242 Y CA 1.973 60.006 58.100 -0.112 0.000 1.135 242 Y CB -0.744 37.569 38.460 -0.246 0.000 0.980 242 Y HN 0.145 nan 8.280 nan 0.000 0.499 243 Y N 0.692 120.797 120.300 -0.326 0.000 2.293 243 Y HA -0.197 4.357 4.550 0.006 0.000 0.291 243 Y C 2.230 178.057 175.900 -0.121 0.000 1.137 243 Y CA 1.075 58.886 58.100 -0.481 0.000 1.202 243 Y CB -0.897 37.062 38.460 -0.834 0.000 0.990 243 Y HN 0.293 nan 8.280 nan 0.000 0.537 244 N N 0.081 118.855 118.700 0.123 0.000 2.331 244 N HA -0.097 4.646 4.740 0.005 0.000 0.180 244 N C 1.580 177.096 175.510 0.010 0.000 1.019 244 N CA 0.963 54.086 53.050 0.122 0.000 0.881 244 N CB -0.114 38.431 38.487 0.096 0.000 0.972 244 N HN 0.360 nan 8.380 nan 0.000 0.435 245 K N -0.817 119.534 120.400 -0.082 0.000 2.186 245 K HA -0.027 4.296 4.320 0.005 0.000 0.202 245 K C 0.153 176.769 176.600 0.026 0.000 1.052 245 K CA 0.709 56.943 56.287 -0.088 0.000 0.965 245 K CB 0.169 32.561 32.500 -0.180 0.000 0.746 245 K HN 0.098 nan 8.250 nan 0.000 0.457 246 H N -0.371 118.608 119.070 -0.151 0.000 2.538 246 H HA 0.219 4.777 4.556 0.005 0.000 0.239 246 H C -2.587 172.676 175.328 -0.108 0.000 1.401 246 H CA -2.684 53.282 56.048 -0.137 0.000 1.499 246 H CB 0.928 30.581 29.762 -0.182 0.000 1.624 246 H HN -0.120 nan 8.280 nan 0.000 0.524 247 P HA -0.147 nan 4.420 nan 0.000 0.216 247 P C 0.943 178.259 177.300 0.027 0.000 1.150 247 P CA 1.079 64.238 63.100 0.098 0.000 0.843 247 P CB 0.540 32.349 31.700 0.181 0.000 0.787 248 E N -0.407 119.758 120.200 -0.059 0.000 2.494 248 E HA 0.123 4.476 4.350 0.005 0.000 0.193 248 E C 1.280 177.813 176.600 -0.112 0.000 1.074 248 E CA 0.104 56.528 56.400 0.039 0.000 0.867 248 E CB -0.776 29.103 29.700 0.299 0.000 0.924 248 E HN 0.184 nan 8.360 nan 0.000 0.502 249 G N 0.899 109.302 108.800 -0.662 0.000 2.651 249 G HA2 0.310 4.273 3.960 0.005 0.000 0.260 249 G HA3 0.310 4.273 3.960 0.005 0.000 0.260 249 G C -0.101 174.926 174.900 0.213 0.000 1.216 249 G CA 0.069 44.961 45.100 -0.346 0.000 0.913 249 G HN 0.190 nan 8.290 nan 0.000 0.535 250 S N -2.285 113.678 115.700 0.438 0.000 2.547 250 S HA 0.649 5.122 4.470 0.005 0.000 0.270 250 S C -0.844 173.937 174.600 0.303 0.000 1.150 250 S CA -0.198 58.218 58.200 0.360 0.000 0.850 250 S CB 1.499 64.764 63.200 0.109 0.000 1.118 250 S HN 1.914 nan 8.310 nan 0.000 0.461 251 V N 0.044 120.008 119.914 0.084 0.000 2.962 251 V HA 0.819 4.942 4.120 0.005 0.000 0.313 251 V C -0.349 175.534 176.094 -0.351 0.000 1.099 251 V CA -0.934 61.329 62.300 -0.062 0.000 0.971 251 V CB 1.568 33.110 31.823 -0.468 0.000 1.028 251 V HN 1.181 nan 8.190 nan 0.000 0.430 252 N N 2.011 120.473 118.700 -0.397 0.000 2.452 252 N HA 0.276 5.018 4.740 0.005 0.000 0.296 252 N C 0.123 175.411 175.510 -0.371 0.000 1.304 252 N CA 0.203 52.630 53.050 -1.038 0.000 0.956 252 N CB 0.061 37.769 38.487 -1.299 0.000 1.106 252 N HN 0.892 nan 8.380 nan 0.000 0.555 253 D N -2.245 117.849 120.400 -0.510 0.000 2.559 253 D HA 0.111 4.754 4.640 0.005 0.000 0.234 253 D C -0.156 175.994 176.300 -0.250 0.000 1.226 253 D CA -0.213 53.601 54.000 -0.310 0.000 0.830 253 D CB -0.239 40.119 40.800 -0.736 0.000 1.028 253 D HN 0.473 nan 8.370 nan 0.000 0.492 254 R N -0.054 120.223 120.500 -0.372 0.000 2.696 254 R HA 0.229 4.571 4.340 0.005 0.000 0.355 254 R C -0.079 176.052 176.300 -0.281 0.000 1.138 254 R CA -0.284 55.606 56.100 -0.350 0.000 1.059 254 R CB -0.021 29.994 30.300 -0.474 0.000 1.380 254 R HN 0.165 nan 8.270 nan 0.000 0.578 255 W N -0.451 120.864 121.300 0.024 0.000 3.013 255 W HA 0.260 4.923 4.660 0.004 0.000 0.280 255 W C 1.361 177.955 176.519 0.126 0.000 1.249 255 W CA 0.382 57.806 57.345 0.133 0.000 1.577 255 W CB 0.481 30.014 29.460 0.121 0.000 1.057 255 W HN 0.286 nan 8.180 nan 0.000 0.613 256 G N 1.257 110.209 108.800 0.253 0.000 2.176 256 G HA2 -0.155 3.808 3.960 0.005 0.000 0.252 256 G HA3 -0.155 3.808 3.960 0.005 0.000 0.252 256 G C -0.132 174.818 174.900 0.083 0.000 1.024 256 G CA 0.252 45.438 45.100 0.143 0.000 0.755 256 G HN 0.476 nan 8.290 nan 0.000 0.507 257 V N -4.656 115.285 119.914 0.046 0.000 3.126 257 V HA 0.870 4.993 4.120 0.005 0.000 0.314 257 V C -0.639 175.253 176.094 -0.337 0.000 1.138 257 V CA -1.384 60.767 62.300 -0.248 0.000 1.034 257 V CB 1.256 32.851 31.823 -0.381 0.000 1.075 257 V HN -0.053 nan 8.190 nan 0.000 0.442 258 P HA -0.085 nan 4.420 nan 0.000 0.216 258 P C 0.265 177.425 177.300 -0.234 0.000 1.150 258 P CA 1.545 64.353 63.100 -0.487 0.000 0.843 258 P CB -0.135 31.127 31.700 -0.730 0.000 0.787 259 H N -0.534 118.380 119.070 -0.260 0.000 2.505 259 H HA 0.360 4.918 4.556 0.005 0.000 0.351 259 H C -0.463 174.891 175.328 0.043 0.000 1.151 259 H CA -0.316 55.685 56.048 -0.080 0.000 1.339 259 H CB 0.339 30.253 29.762 0.253 0.000 1.483 259 H HN 0.081 nan 8.280 nan 0.000 0.558 260 W N 3.475 124.246 121.300 -0.882 0.000 3.338 260 W HA 0.190 4.853 4.660 0.004 0.000 0.299 260 W C -1.363 174.747 176.519 -0.682 0.000 1.226 260 W CA -0.581 56.384 57.345 -0.634 0.000 1.183 260 W CB 0.564 29.819 29.460 -0.343 0.000 1.360 260 W HN 0.453 nan 8.180 nan 0.000 0.569 261 D N 1.202 121.530 120.400 -0.120 0.000 2.380 261 D HA 0.130 4.772 4.640 0.005 0.000 0.212 261 D C 0.113 176.645 176.300 0.387 0.000 1.021 261 D CA 1.206 55.215 54.000 0.015 0.000 0.884 261 D CB 0.900 41.751 40.800 0.084 0.000 1.001 261 D HN 0.244 nan 8.370 nan 0.000 0.506 262 F N -0.672 119.487 119.950 0.349 0.000 2.641 262 F HA 0.516 5.046 4.527 0.005 0.000 0.308 262 F C -0.590 175.229 175.800 0.033 0.000 1.105 262 F CA -1.366 56.806 58.000 0.285 0.000 0.964 262 F CB 1.204 40.294 39.000 0.149 0.000 1.294 262 F HN -0.510 nan 8.300 nan 0.000 0.442 263 K N 0.797 121.209 120.400 0.019 0.000 2.148 263 K HA 0.758 5.081 4.320 0.005 0.000 0.239 263 K C -0.468 176.269 176.600 0.228 0.000 1.018 263 K CA -0.627 55.508 56.287 -0.254 0.000 0.923 263 K CB 1.745 33.968 32.500 -0.463 0.000 1.117 263 K HN 0.906 nan 8.250 nan 0.000 0.477 264 T N -2.675 111.951 114.554 0.120 0.000 2.901 264 T HA 0.775 5.128 4.350 0.005 0.000 0.293 264 T C -1.152 173.757 174.700 0.350 0.000 1.084 264 T CA -1.071 61.228 62.100 0.333 0.000 1.008 264 T CB 1.899 70.889 68.868 0.203 0.000 1.170 264 T HN 0.599 nan 8.240 nan 0.000 0.509 265 A N 0.718 123.844 122.820 0.509 0.000 2.486 265 A HA 0.797 5.120 4.320 0.005 0.000 0.300 265 A C -0.978 176.937 177.584 0.553 0.000 1.048 265 A CA -0.799 51.540 52.037 0.505 0.000 0.696 265 A CB 1.735 21.082 19.000 0.578 0.000 1.278 265 A HN 0.990 nan 8.150 nan 0.000 0.405 266 E N 1.570 122.067 120.200 0.495 0.000 2.218 266 E HA 0.567 4.920 4.350 0.005 0.000 0.263 266 E C -0.646 176.278 176.600 0.540 0.000 0.879 266 E CA -0.479 56.202 56.400 0.469 0.000 0.762 266 E CB 0.710 30.717 29.700 0.513 0.000 1.166 266 E HN 0.643 nan 8.360 nan 0.000 0.415 267 Y N 1.269 121.771 120.300 0.336 0.000 2.753 267 Y HA -0.501 4.052 4.550 0.004 0.000 0.449 267 Y C 1.721 177.796 175.900 0.292 0.000 1.127 267 Y CA 1.946 60.210 58.100 0.272 0.000 2.530 267 Y CB -0.940 37.614 38.460 0.157 0.000 1.155 267 Y HN 0.753 nan 8.280 nan 0.000 0.645 268 H N -0.584 118.768 119.070 0.470 0.000 2.495 268 H HA 0.091 4.649 4.556 0.005 0.000 0.287 268 H C 0.342 175.843 175.328 0.288 0.000 1.033 268 H CA 1.132 57.356 56.048 0.295 0.000 1.307 268 H CB -0.481 29.378 29.762 0.162 0.000 1.401 268 H HN 0.054 nan 8.280 nan 0.000 0.555 269 V N 3.648 123.792 119.914 0.383 0.000 2.446 269 V HA -0.063 4.060 4.120 0.005 0.000 0.276 269 V C 0.569 176.824 176.094 0.269 0.000 1.030 269 V CA -0.031 62.431 62.300 0.270 0.000 1.033 269 V CB 0.110 32.057 31.823 0.207 0.000 0.993 269 V HN 0.561 nan 8.190 nan 0.000 0.477 270 N N 2.477 121.286 118.700 0.181 0.000 2.776 270 N HA -0.240 4.503 4.740 0.005 0.000 0.250 270 N C -0.374 175.164 175.510 0.048 0.000 1.112 270 N CA 0.685 53.794 53.050 0.099 0.000 0.733 270 N CB -1.370 37.166 38.487 0.082 0.000 1.097 270 N HN 0.790 nan 8.380 nan 0.000 0.558 271 Y N 3.083 123.407 120.300 0.041 0.000 2.480 271 Y HA 0.229 4.782 4.550 0.005 0.000 0.341 271 Y C -1.412 174.360 175.900 -0.213 0.000 1.031 271 Y CA -1.271 56.792 58.100 -0.061 0.000 1.295 271 Y CB 0.648 39.105 38.460 -0.004 0.000 1.162 271 Y HN 0.058 nan 8.280 nan 0.000 0.523 272 P HA 0.114 nan 4.420 nan 0.000 0.271 272 P C 0.267 177.438 177.300 -0.215 0.000 1.216 272 P CA 0.010 62.776 63.100 -0.556 0.000 0.776 272 P CB 1.568 32.700 31.700 -0.946 0.000 0.881 273 G N 1.015 109.754 108.800 -0.102 0.000 2.603 273 G HA2 -0.005 3.957 3.960 0.005 0.000 0.214 273 G HA3 -0.005 3.957 3.960 0.005 0.000 0.214 273 G C 0.303 175.185 174.900 -0.029 0.000 1.140 273 G CA 0.395 45.490 45.100 -0.009 0.000 0.800 273 G HN 0.592 nan 8.290 nan 0.000 0.533 274 D N -1.569 118.780 120.400 -0.086 0.000 2.812 274 D HA 0.317 4.960 4.640 0.005 0.000 0.318 274 D C -0.246 175.989 176.300 -0.109 0.000 1.234 274 D CA -0.839 53.123 54.000 -0.063 0.000 0.989 274 D CB 0.497 41.265 40.800 -0.053 0.000 1.442 274 D HN -0.118 nan 8.370 nan 0.000 0.537 275 L N 1.833 123.014 121.223 -0.069 0.000 2.578 275 L HA 0.147 4.490 4.340 0.005 0.000 0.279 275 L C -1.028 175.725 176.870 -0.194 0.000 1.227 275 L CA -0.572 54.219 54.840 -0.082 0.000 0.900 275 L CB 0.210 42.244 42.059 -0.043 0.000 1.144 275 L HN 0.415 nan 8.230 nan 0.000 0.496 276 P HA 0.081 nan 4.420 nan 0.000 0.238 276 P C 0.898 177.861 177.300 -0.561 0.000 1.183 276 P CA 1.027 63.784 63.100 -0.573 0.000 0.813 276 P CB 0.899 31.969 31.700 -1.049 0.000 0.944 277 G N -0.432 108.141 108.800 -0.378 0.000 2.179 277 G HA2 -0.177 3.786 3.960 0.005 0.000 0.220 277 G HA3 -0.177 3.786 3.960 0.005 0.000 0.220 277 G C -0.149 174.770 174.900 0.030 0.000 0.990 277 G CA 0.109 45.130 45.100 -0.132 0.000 0.646 277 G HN 0.526 nan 8.290 nan 0.000 0.517 278 Y N -2.093 118.321 120.300 0.189 0.000 2.609 278 Y HA 0.821 5.374 4.550 0.005 0.000 0.336 278 Y C -0.250 175.873 175.900 0.371 0.000 1.129 278 Y CA -2.149 56.118 58.100 0.278 0.000 1.040 278 Y CB 0.474 39.156 38.460 0.370 0.000 1.310 278 Y HN 0.100 nan 8.280 nan 0.000 0.460 279 K N 3.068 123.820 120.400 0.587 0.000 2.401 279 K HA 0.295 4.617 4.320 0.005 0.000 0.278 279 K C -1.000 176.047 176.600 0.745 0.000 1.018 279 K CA -0.150 56.454 56.287 0.529 0.000 0.981 279 K CB 0.185 32.940 32.500 0.424 0.000 0.933 279 K HN 0.781 nan 8.250 nan 0.000 0.477 280 W N 2.142 123.665 121.300 0.372 0.000 3.018 280 W HA 0.575 5.238 4.660 0.005 0.000 0.352 280 W C -1.391 175.322 176.519 0.322 0.000 1.230 280 W CA -0.829 56.746 57.345 0.382 0.000 1.162 280 W CB 0.634 30.265 29.460 0.285 0.000 1.483 280 W HN 0.624 nan 8.180 nan 0.000 0.584 281 E N 1.180 121.564 120.200 0.306 0.000 2.304 281 E HA 0.415 4.768 4.350 0.005 0.000 0.277 281 E C -2.272 174.546 176.600 0.363 0.000 0.898 281 E CA -0.648 55.807 56.400 0.093 0.000 0.764 281 E CB 2.775 32.652 29.700 0.294 0.000 1.216 281 E HN 0.286 nan 8.360 nan 0.000 0.419 282 F N 3.064 123.029 119.950 0.025 0.000 2.408 282 F HA 0.507 5.038 4.527 0.005 0.000 0.344 282 F C -0.495 175.444 175.800 0.231 0.000 1.112 282 F CA -0.052 58.100 58.000 0.254 0.000 1.096 282 F CB 1.761 40.905 39.000 0.241 0.000 1.129 282 F HN 0.307 nan 8.300 nan 0.000 0.486 283 T N 6.556 120.897 114.554 -0.356 0.000 2.900 283 T HA 0.809 5.162 4.350 0.005 0.000 0.295 283 T C -1.242 173.069 174.700 -0.649 0.000 1.044 283 T CA -0.629 61.289 62.100 -0.303 0.000 0.995 283 T CB 1.033 70.042 68.868 0.235 0.000 1.072 283 T HN 0.970 nan 8.240 nan 0.000 0.473 284 R N 1.244 121.412 120.500 -0.553 0.000 2.765 284 R HA 0.655 4.998 4.340 0.005 0.000 0.277 284 R C -0.283 175.578 176.300 -0.732 0.000 1.028 284 R CA -1.213 54.298 56.100 -0.982 0.000 0.860 284 R CB 0.234 29.677 30.300 -1.428 0.000 1.270 284 R HN 0.779 nan 8.270 nan 0.000 0.484 285 G N 0.407 108.663 108.800 -0.908 0.000 2.580 285 G HA2 0.368 4.331 3.960 0.005 0.000 0.278 285 G HA3 0.368 4.331 3.960 0.005 0.000 0.278 285 G C 0.625 175.363 174.900 -0.271 0.000 1.212 285 G CA -1.045 43.709 45.100 -0.576 0.000 0.939 285 G HN 0.556 nan 8.290 nan 0.000 0.513 286 I N 0.363 120.835 120.570 -0.163 0.000 2.439 286 I HA 0.042 4.215 4.170 0.005 0.000 0.251 286 I C 1.984 178.072 176.117 -0.048 0.000 1.139 286 I CA 1.085 62.333 61.300 -0.087 0.000 1.438 286 I CB -0.198 37.770 38.000 -0.054 0.000 1.085 286 I HN 0.522 nan 8.210 nan 0.000 0.427 287 G N 0.057 108.829 108.800 -0.047 0.000 3.019 287 G HA2 0.417 4.380 3.960 0.005 0.000 0.152 287 G HA3 0.417 4.380 3.960 0.005 0.000 0.152 287 G C 0.484 175.407 174.900 0.037 0.000 1.320 287 G CA -0.458 44.645 45.100 0.005 0.000 1.013 287 G HN 0.064 nan 8.290 nan 0.000 0.593 288 L N 0.082 121.296 121.223 -0.016 0.000 2.585 288 L HA 0.286 4.628 4.340 0.005 0.000 0.226 288 L C 1.248 178.079 176.870 -0.064 0.000 1.113 288 L CA 0.213 55.018 54.840 -0.059 0.000 0.876 288 L CB 0.483 42.463 42.059 -0.132 0.000 1.072 288 L HN 0.294 nan 8.230 nan 0.000 0.468 289 S N -1.614 114.006 115.700 -0.132 0.000 2.664 289 S HA 0.503 4.975 4.470 0.005 0.000 0.304 289 S C 0.327 174.673 174.600 -0.424 0.000 1.099 289 S CA -0.568 57.535 58.200 -0.162 0.000 1.003 289 S CB 1.212 64.340 63.200 -0.119 0.000 1.092 289 S HN 0.064 nan 8.310 nan 0.000 0.525 290 F N 1.504 121.181 119.950 -0.457 0.000 2.343 290 F HA 0.341 4.871 4.527 0.005 0.000 0.286 290 F C 1.877 177.475 175.800 -0.338 0.000 1.057 290 F CA 0.383 58.018 58.000 -0.609 0.000 1.365 290 F CB -0.722 37.461 39.000 -1.363 0.000 1.114 290 F HN 0.678 nan 8.300 nan 0.000 0.545 291 G N -0.847 107.906 108.800 -0.080 0.000 2.594 291 G HA2 0.042 4.005 3.960 0.005 0.000 0.243 291 G HA3 0.042 4.005 3.960 0.005 0.000 0.243 291 G C -1.177 173.807 174.900 0.139 0.000 1.229 291 G CA -0.309 44.853 45.100 0.105 0.000 0.843 291 G HN 0.163 nan 8.290 nan 0.000 0.578 292 Y N 1.648 122.015 120.300 0.112 0.000 2.721 292 Y HA 0.126 4.678 4.550 0.004 0.000 0.329 292 Y C 0.095 176.017 175.900 0.035 0.000 1.211 292 Y CA -0.550 57.585 58.100 0.058 0.000 1.512 292 Y CB 0.426 38.940 38.460 0.090 0.000 1.249 292 Y HN 0.429 nan 8.280 nan 0.000 0.549 293 N N 5.948 124.380 118.700 -0.447 0.000 2.518 293 N HA 0.187 4.930 4.740 0.005 0.000 0.254 293 N C 0.662 175.708 175.510 -0.773 0.000 0.979 293 N CA -0.771 51.930 53.050 -0.581 0.000 0.930 293 N CB 0.725 38.981 38.487 -0.385 0.000 1.152 293 N HN 0.801 nan 8.380 nan 0.000 0.505 294 R N 2.557 122.517 120.500 -0.901 0.000 2.193 294 R HA -0.028 4.315 4.340 0.005 0.000 0.229 294 R C -0.094 176.059 176.300 -0.244 0.000 1.110 294 R CA 0.875 56.694 56.100 -0.468 0.000 0.988 294 R CB -0.190 30.007 30.300 -0.171 0.000 0.871 294 R HN 0.329 nan 8.270 nan 0.000 0.458 295 N N 1.196 119.669 118.700 -0.378 0.000 2.515 295 N HA -0.015 4.728 4.740 0.005 0.000 0.185 295 N C -0.285 175.061 175.510 -0.273 0.000 1.109 295 N CA 0.561 53.401 53.050 -0.350 0.000 0.903 295 N CB 0.142 38.256 38.487 -0.622 0.000 0.969 295 N HN 0.485 nan 8.380 nan 0.000 0.450 296 E N -0.394 119.667 120.200 -0.232 0.000 2.301 296 E HA 0.515 4.867 4.350 0.005 0.000 0.275 296 E C 0.348 177.030 176.600 0.137 0.000 1.030 296 E CA -0.513 55.850 56.400 -0.062 0.000 0.852 296 E CB 1.338 30.982 29.700 -0.094 0.000 1.060 296 E HN 0.134 nan 8.360 nan 0.000 0.401 297 G N 1.461 110.470 108.800 0.347 0.000 3.042 297 G HA2 0.281 4.244 3.960 0.005 0.000 0.278 297 G HA3 0.281 4.244 3.960 0.005 0.000 0.278 297 G C -2.009 172.913 174.900 0.037 0.000 1.371 297 G CA -1.122 44.045 45.100 0.112 0.000 1.009 297 G HN 0.297 nan 8.290 nan 0.000 0.523 298 P HA -0.124 nan 4.420 nan 0.000 0.218 298 P C 0.855 178.096 177.300 -0.098 0.000 1.146 298 P CA 1.312 64.387 63.100 -0.042 0.000 0.813 298 P CB 0.244 31.921 31.700 -0.039 0.000 0.778 299 E N -0.725 119.352 120.200 -0.206 0.000 2.268 299 E HA -0.169 4.184 4.350 0.005 0.000 0.195 299 E C 1.405 177.791 176.600 -0.358 0.000 0.995 299 E CA 1.101 57.313 56.400 -0.313 0.000 0.836 299 E CB -1.126 28.303 29.700 -0.451 0.000 0.763 299 E HN 0.584 nan 8.360 nan 0.000 0.491 300 H N -1.074 117.970 119.070 -0.043 0.000 2.575 300 H HA 0.299 4.858 4.556 0.005 0.000 0.267 300 H C 0.212 175.520 175.328 -0.033 0.000 0.966 300 H CA -0.122 55.899 56.048 -0.046 0.000 1.165 300 H CB 0.236 29.954 29.762 -0.074 0.000 1.433 300 H HN 0.044 nan 8.280 nan 0.000 0.544 301 M N 0.892 120.513 119.600 0.036 0.000 2.598 301 M HA 0.302 4.785 4.480 0.005 0.000 0.317 301 M C -0.573 175.717 176.300 -0.015 0.000 1.201 301 M CA -0.743 54.565 55.300 0.013 0.000 0.971 301 M CB 2.257 34.859 32.600 0.003 0.000 1.657 301 M HN 0.003 nan 8.290 nan 0.000 0.470 302 L N 1.159 122.367 121.223 -0.025 0.000 2.417 302 L HA 0.249 4.592 4.340 0.005 0.000 0.268 302 L C 0.603 177.427 176.870 -0.076 0.000 1.158 302 L CA -0.351 54.458 54.840 -0.052 0.000 0.819 302 L CB 0.946 42.967 42.059 -0.064 0.000 1.112 302 L HN 0.812 nan 8.230 nan 0.000 0.458 303 S N 1.027 116.665 115.700 -0.104 0.000 2.652 303 S HA 0.245 4.718 4.470 0.005 0.000 0.270 303 S C 1.115 175.615 174.600 -0.167 0.000 1.243 303 S CA -0.977 57.153 58.200 -0.118 0.000 0.999 303 S CB 1.620 64.744 63.200 -0.126 0.000 0.973 303 S HN 0.323 nan 8.310 nan 0.000 0.544 304 V N 1.583 121.404 119.914 -0.155 0.000 2.282 304 V HA -0.206 3.917 4.120 0.005 0.000 0.249 304 V C 2.618 178.518 176.094 -0.323 0.000 1.057 304 V CA 2.488 64.677 62.300 -0.186 0.000 1.032 304 V CB -1.365 30.384 31.823 -0.123 0.000 0.645 304 V HN 0.867 nan 8.190 nan 0.000 0.447 305 E N 0.023 120.001 120.200 -0.370 0.000 2.058 305 E HA -0.250 4.103 4.350 0.005 0.000 0.194 305 E C 2.269 178.332 176.600 -0.895 0.000 0.997 305 E CA 1.521 57.525 56.400 -0.660 0.000 0.801 305 E CB -0.414 28.947 29.700 -0.567 0.000 0.746 305 E HN 0.679 nan 8.360 nan 0.000 0.450 306 Q N -0.125 119.356 119.800 -0.531 0.000 2.124 306 Q HA -0.081 4.262 4.340 0.005 0.000 0.202 306 Q C 2.302 178.132 176.000 -0.284 0.000 0.977 306 Q CA 0.893 56.486 55.803 -0.350 0.000 0.850 306 Q CB -0.153 28.481 28.738 -0.174 0.000 0.901 306 Q HN 0.288 nan 8.270 nan 0.000 0.429 307 L N -0.201 120.847 121.223 -0.291 0.000 2.046 307 L HA -0.193 4.150 4.340 0.005 0.000 0.208 307 L C 2.340 178.994 176.870 -0.360 0.000 1.077 307 L CA 0.815 55.498 54.840 -0.261 0.000 0.747 307 L CB -0.459 41.458 42.059 -0.237 0.000 0.896 307 L HN 0.110 nan 8.230 nan 0.000 0.432 308 V N -0.815 118.787 119.914 -0.521 0.000 2.261 308 V HA -0.348 3.775 4.120 0.005 0.000 0.246 308 V C 2.186 177.999 176.094 -0.469 0.000 1.047 308 V CA 1.895 63.750 62.300 -0.741 0.000 1.015 308 V CB -0.746 30.403 31.823 -1.124 0.000 0.642 308 V HN 0.381 nan 8.190 nan 0.000 0.446 309 Y N 0.225 120.265 120.300 -0.433 0.000 2.256 309 Y HA -0.258 4.295 4.550 0.005 0.000 0.288 309 Y C 2.816 178.565 175.900 -0.250 0.000 1.155 309 Y CA 1.095 59.004 58.100 -0.318 0.000 1.203 309 Y CB -0.509 37.812 38.460 -0.232 0.000 0.980 309 Y HN 0.287 nan 8.280 nan 0.000 0.530 310 T N 0.687 115.196 114.554 -0.074 0.000 2.701 310 T HA -0.188 4.165 4.350 0.005 0.000 0.263 310 T C 1.870 176.522 174.700 -0.080 0.000 1.040 310 T CA 1.220 63.276 62.100 -0.073 0.000 1.147 310 T CB -0.600 68.246 68.868 -0.038 0.000 0.865 310 T HN 0.166 nan 8.240 nan 0.000 0.426 311 L N 1.549 122.674 121.223 -0.163 0.000 2.012 311 L HA -0.077 4.266 4.340 0.005 0.000 0.210 311 L C 2.423 179.205 176.870 -0.147 0.000 1.073 311 L CA 1.606 56.336 54.840 -0.185 0.000 0.748 311 L CB -0.850 41.015 42.059 -0.323 0.000 0.891 311 L HN 0.081 nan 8.230 nan 0.000 0.431 312 V N -0.055 119.751 119.914 -0.179 0.000 2.255 312 V HA -0.337 3.786 4.120 0.005 0.000 0.247 312 V C 2.369 178.424 176.094 -0.064 0.000 1.051 312 V CA 2.086 64.312 62.300 -0.123 0.000 1.018 312 V CB -0.864 30.864 31.823 -0.157 0.000 0.641 312 V HN 0.585 nan 8.190 nan 0.000 0.445 313 D N -0.157 120.212 120.400 -0.051 0.000 2.116 313 D HA -0.174 4.469 4.640 0.005 0.000 0.193 313 D C 2.021 178.379 176.300 0.096 0.000 0.998 313 D CA 1.688 55.699 54.000 0.017 0.000 0.836 313 D CB -0.120 40.699 40.800 0.031 0.000 0.951 313 D HN 0.187 nan 8.370 nan 0.000 0.449 314 V N -0.263 119.699 119.914 0.080 0.000 2.287 314 V HA -0.228 3.895 4.120 0.005 0.000 0.248 314 V C 2.578 178.645 176.094 -0.045 0.000 1.053 314 V CA 1.432 63.756 62.300 0.040 0.000 1.027 314 V CB -0.428 31.356 31.823 -0.064 0.000 0.646 314 V HN 0.182 nan 8.190 nan 0.000 0.447 315 V N 0.986 120.863 119.914 -0.061 0.000 2.407 315 V HA -0.211 3.912 4.120 0.005 0.000 0.248 315 V C 2.611 178.721 176.094 0.026 0.000 1.055 315 V CA 2.201 64.468 62.300 -0.055 0.000 1.049 315 V CB -0.750 31.035 31.823 -0.064 0.000 0.662 315 V HN 0.780 nan 8.190 nan 0.000 0.455 316 S N -0.359 115.378 115.700 0.061 0.000 2.507 316 S HA -0.108 4.365 4.470 0.005 0.000 0.235 316 S C 1.493 176.186 174.600 0.155 0.000 0.988 316 S CA 0.856 59.129 58.200 0.121 0.000 0.944 316 S CB -0.330 62.939 63.200 0.114 0.000 0.762 316 S HN 0.649 nan 8.310 nan 0.000 0.526 317 K N 0.652 121.158 120.400 0.178 0.000 2.440 317 K HA 0.374 4.697 4.320 0.005 0.000 0.206 317 K C 0.960 177.768 176.600 0.347 0.000 1.025 317 K CA 0.251 56.687 56.287 0.247 0.000 1.135 317 K CB 0.249 32.935 32.500 0.311 0.000 0.856 317 K HN 0.434 nan 8.250 nan 0.000 0.502 318 G N 0.724 109.636 108.800 0.186 0.000 2.148 318 G HA2 -0.253 3.710 3.960 0.005 0.000 0.254 318 G HA3 -0.253 3.710 3.960 0.005 0.000 0.254 318 G C 0.350 175.191 174.900 -0.098 0.000 0.981 318 G CA -0.011 45.163 45.100 0.124 0.000 0.670 318 G HN 0.508 nan 8.290 nan 0.000 0.528 319 G N -0.915 107.631 108.800 -0.423 0.000 2.552 319 G HA2 0.610 4.573 3.960 0.005 0.000 0.318 319 G HA3 0.610 4.573 3.960 0.005 0.000 0.318 319 G C -0.495 174.038 174.900 -0.612 0.000 1.240 319 G CA -0.564 43.862 45.100 -1.123 0.000 1.002 319 G HN 0.279 nan 8.290 nan 0.000 0.493 320 N N -1.537 116.814 118.700 -0.582 0.000 2.335 320 N HA 0.558 5.301 4.740 0.005 0.000 0.304 320 N C -1.168 174.220 175.510 -0.204 0.000 1.135 320 N CA -0.588 52.257 53.050 -0.342 0.000 0.817 320 N CB 2.186 40.394 38.487 -0.466 0.000 1.294 320 N HN 0.405 nan 8.380 nan 0.000 0.497 321 L N 1.629 122.828 121.223 -0.040 0.000 2.287 321 L HA 0.597 4.940 4.340 0.005 0.000 0.287 321 L C -1.457 175.462 176.870 0.081 0.000 1.022 321 L CA -0.668 54.216 54.840 0.074 0.000 0.814 321 L CB 0.929 43.036 42.059 0.080 0.000 1.217 321 L HN 0.437 nan 8.230 nan 0.000 0.420 322 L N 6.186 127.417 121.223 0.013 0.000 2.321 322 L HA 0.490 4.833 4.340 0.005 0.000 0.272 322 L C -1.103 175.732 176.870 -0.058 0.000 1.050 322 L CA -0.302 54.464 54.840 -0.124 0.000 0.893 322 L CB 0.923 42.830 42.059 -0.253 0.000 1.272 322 L HN 0.718 nan 8.230 nan 0.000 0.435 323 L N 4.517 125.760 121.223 0.034 0.000 2.319 323 L HA 0.414 4.756 4.340 0.005 0.000 0.280 323 L C -0.033 176.866 176.870 0.049 0.000 1.099 323 L CA 0.277 55.151 54.840 0.056 0.000 0.828 323 L CB 0.863 43.039 42.059 0.195 0.000 1.150 323 L HN 0.750 nan 8.230 nan 0.000 0.442 324 N N 3.233 121.958 118.700 0.040 0.000 2.498 324 N HA 0.513 5.256 4.740 0.005 0.000 0.287 324 N C -1.389 174.095 175.510 -0.043 0.000 1.097 324 N CA -0.468 52.623 53.050 0.069 0.000 0.973 324 N CB 1.247 39.775 38.487 0.068 0.000 1.153 324 N HN 0.407 nan 8.380 nan 0.000 0.472 325 V N 1.437 121.319 119.914 -0.053 0.000 2.555 325 V HA 0.658 4.781 4.120 0.005 0.000 0.302 325 V C 0.490 176.538 176.094 -0.076 0.000 1.038 325 V CA -0.814 61.432 62.300 -0.090 0.000 0.887 325 V CB 1.660 33.401 31.823 -0.136 0.000 0.991 325 V HN 0.840 nan 8.190 nan 0.000 0.434 326 G N 5.202 113.974 108.800 -0.046 0.000 2.955 326 G HA2 0.615 4.578 3.960 0.005 0.000 0.336 326 G HA3 0.615 4.578 3.960 0.005 0.000 0.336 326 G C -2.892 172.010 174.900 0.003 0.000 1.264 326 G CA -1.326 43.802 45.100 0.046 0.000 1.096 326 G HN 0.488 nan 8.290 nan 0.000 0.486 327 P HA 0.165 nan 4.420 nan 0.000 0.272 327 P C 0.181 177.452 177.300 -0.048 0.000 1.240 327 P CA -0.187 62.757 63.100 -0.261 0.000 0.791 327 P CB 1.090 32.388 31.700 -0.671 0.000 0.978 328 K N 0.089 120.425 120.400 -0.107 0.000 2.098 328 K HA 0.318 4.641 4.320 0.005 0.000 0.244 328 K C 1.833 178.677 176.600 0.406 0.000 1.014 328 K CA -0.353 55.906 56.287 -0.048 0.000 0.917 328 K CB 0.059 32.422 32.500 -0.229 0.000 1.072 328 K HN 0.482 nan 8.250 nan 0.000 0.477 329 G N 1.121 110.134 108.800 0.356 0.000 2.462 329 G HA2 -0.252 3.711 3.960 0.005 0.000 0.220 329 G HA3 -0.252 3.711 3.960 0.005 0.000 0.220 329 G C 0.829 176.003 174.900 0.457 0.000 1.121 329 G CA 1.151 46.542 45.100 0.484 0.000 0.758 329 G HN 0.794 nan 8.290 nan 0.000 0.559 330 D N -1.161 119.429 120.400 0.317 0.000 2.340 330 D HA 0.243 4.886 4.640 0.005 0.000 0.220 330 D C 1.672 178.167 176.300 0.324 0.000 1.039 330 D CA 0.649 54.797 54.000 0.246 0.000 0.866 330 D CB -0.413 40.485 40.800 0.163 0.000 0.913 330 D HN 0.472 nan 8.370 nan 0.000 0.523 331 G N -0.194 108.889 108.800 0.472 0.000 2.176 331 G HA2 -0.226 3.737 3.960 0.005 0.000 0.232 331 G HA3 -0.226 3.737 3.960 0.005 0.000 0.232 331 G C 0.405 175.592 174.900 0.478 0.000 0.986 331 G CA 0.323 45.708 45.100 0.475 0.000 0.643 331 G HN 0.780 nan 8.290 nan 0.000 0.522 332 T N -0.948 113.773 114.554 0.277 0.000 2.934 332 T HA 0.755 5.108 4.350 0.005 0.000 0.283 332 T C 0.277 174.989 174.700 0.020 0.000 1.005 332 T CA -0.861 61.355 62.100 0.194 0.000 1.041 332 T CB 2.319 71.242 68.868 0.092 0.000 1.042 332 T HN 0.435 nan 8.240 nan 0.000 0.505 333 I N 2.642 123.179 120.570 -0.054 0.000 2.321 333 I HA 0.316 4.489 4.170 0.005 0.000 0.291 333 I C -2.251 173.789 176.117 -0.128 0.000 0.998 333 I CA -2.726 58.458 61.300 -0.193 0.000 1.227 333 I CB 1.647 39.459 38.000 -0.313 0.000 1.368 333 I HN 0.454 nan 8.210 nan 0.000 0.466 334 P HA -0.022 nan 4.420 nan 0.000 0.264 334 P C 0.159 177.438 177.300 -0.034 0.000 1.183 334 P CA 0.022 63.076 63.100 -0.077 0.000 0.763 334 P CB 0.564 32.245 31.700 -0.032 0.000 0.807 335 D N 2.176 122.568 120.400 -0.012 0.000 2.158 335 D HA -0.152 4.490 4.640 0.005 0.000 0.197 335 D C 1.883 178.184 176.300 0.001 0.000 0.995 335 D CA 1.322 55.320 54.000 -0.005 0.000 0.846 335 D CB -0.142 40.661 40.800 0.005 0.000 0.941 335 D HN 0.378 nan 8.370 nan 0.000 0.456 336 L N 0.574 121.806 121.223 0.014 0.000 2.042 336 L HA -0.238 4.105 4.340 0.005 0.000 0.210 336 L C 2.630 179.502 176.870 0.004 0.000 1.076 336 L CA 1.337 56.185 54.840 0.013 0.000 0.749 336 L CB -0.369 41.707 42.059 0.029 0.000 0.893 336 L HN 0.056 nan 8.230 nan 0.000 0.432 337 Q N -0.342 119.458 119.800 0.000 0.000 2.049 337 Q HA -0.231 4.112 4.340 0.005 0.000 0.198 337 Q C 2.220 178.215 176.000 -0.008 0.000 0.971 337 Q CA 1.310 57.107 55.803 -0.009 0.000 0.833 337 Q CB -0.088 28.636 28.738 -0.023 0.000 0.896 337 Q HN 0.367 nan 8.270 nan 0.000 0.434 338 K N 1.455 121.842 120.400 -0.020 0.000 2.032 338 K HA -0.248 4.075 4.320 0.005 0.000 0.209 338 K C 2.034 178.635 176.600 0.001 0.000 1.048 338 K CA 1.856 58.133 56.287 -0.017 0.000 0.927 338 K CB -0.055 32.424 32.500 -0.034 0.000 0.712 338 K HN 0.305 nan 8.250 nan 0.000 0.441 339 E N 0.195 120.395 120.200 -0.000 0.000 2.153 339 E HA -0.227 4.126 4.350 0.005 0.000 0.194 339 E C 1.964 178.567 176.600 0.005 0.000 0.988 339 E CA 0.929 57.331 56.400 0.004 0.000 0.811 339 E CB -0.119 29.582 29.700 0.000 0.000 0.746 339 E HN 0.294 nan 8.360 nan 0.000 0.466 340 R N 0.387 120.887 120.500 -0.000 0.000 2.090 340 R HA 0.068 4.411 4.340 0.005 0.000 0.228 340 R C 2.537 178.847 176.300 0.017 0.000 1.110 340 R CA 0.997 57.092 56.100 -0.008 0.000 0.973 340 R CB -0.204 30.083 30.300 -0.023 0.000 0.869 340 R HN 0.217 nan 8.270 nan 0.000 0.440 341 L N 0.461 121.711 121.223 0.046 0.000 2.017 341 L HA -0.193 4.149 4.340 0.005 0.000 0.208 341 L C 2.254 179.189 176.870 0.108 0.000 1.073 341 L CA 1.300 56.203 54.840 0.105 0.000 0.745 341 L CB -0.377 41.758 42.059 0.126 0.000 0.894 341 L HN 0.217 nan 8.230 nan 0.000 0.432 342 L N -0.663 120.603 121.223 0.072 0.000 2.083 342 L HA -0.141 4.202 4.340 0.005 0.000 0.209 342 L C 2.623 179.537 176.870 0.073 0.000 1.083 342 L CA 1.316 56.197 54.840 0.069 0.000 0.752 342 L CB -1.039 41.045 42.059 0.041 0.000 0.899 342 L HN 0.327 nan 8.230 nan 0.000 0.433 343 G N -0.011 108.820 108.800 0.051 0.000 2.408 343 G HA2 -0.259 3.704 3.960 0.005 0.000 0.217 343 G HA3 -0.259 3.704 3.960 0.005 0.000 0.217 343 G C 1.560 176.508 174.900 0.079 0.000 1.150 343 G CA 0.576 45.707 45.100 0.051 0.000 0.776 343 G HN 0.214 nan 8.290 nan 0.000 0.542 344 L N 1.606 122.861 121.223 0.053 0.000 2.056 344 L HA 0.182 4.525 4.340 0.005 0.000 0.207 344 L C 2.766 179.735 176.870 0.166 0.000 1.078 344 L CA 2.314 57.181 54.840 0.045 0.000 0.749 344 L CB -1.031 40.992 42.059 -0.059 0.000 0.901 344 L HN 0.150 nan 8.230 nan 0.000 0.433 345 G N -1.173 107.734 108.800 0.179 0.000 2.442 345 G HA2 -0.269 3.693 3.960 0.005 0.000 0.219 345 G HA3 -0.269 3.693 3.960 0.005 0.000 0.219 345 G C 1.459 176.472 174.900 0.187 0.000 1.141 345 G CA 0.857 46.085 45.100 0.214 0.000 0.763 345 G HN 0.531 nan 8.290 nan 0.000 0.554 346 E N -0.834 119.463 120.200 0.161 0.000 2.051 346 E HA -0.166 4.187 4.350 0.005 0.000 0.192 346 E C 2.049 178.766 176.600 0.194 0.000 0.991 346 E CA 0.950 57.435 56.400 0.143 0.000 0.799 346 E CB -0.255 29.516 29.700 0.118 0.000 0.748 346 E HN 0.641 nan 8.360 nan 0.000 0.449 347 W N 1.164 122.506 121.300 0.069 0.000 2.374 347 W HA -0.128 4.535 4.660 0.005 0.000 0.288 347 W C 1.641 178.249 176.519 0.150 0.000 1.218 347 W CA 1.104 58.531 57.345 0.138 0.000 1.245 347 W CB -0.024 29.480 29.460 0.072 0.000 1.126 347 W HN -0.010 nan 8.180 nan 0.000 0.545 348 L N 0.079 121.481 121.223 0.299 0.000 2.156 348 L HA -0.093 4.250 4.340 0.005 0.000 0.208 348 L C 2.683 179.592 176.870 0.065 0.000 1.095 348 L CA 1.117 56.043 54.840 0.143 0.000 0.770 348 L CB -0.728 41.493 42.059 0.271 0.000 0.914 348 L HN -0.140 nan 8.230 nan 0.000 0.439 349 R N -0.022 120.526 120.500 0.079 0.000 2.120 349 R HA -0.191 4.152 4.340 0.005 0.000 0.234 349 R C 2.247 178.501 176.300 -0.077 0.000 1.123 349 R CA 1.328 57.451 56.100 0.038 0.000 0.975 349 R CB -0.030 30.293 30.300 0.038 0.000 0.866 349 R HN 0.247 nan 8.270 nan 0.000 0.446 350 K N -0.781 119.499 120.400 -0.199 0.000 2.098 350 K HA -0.071 4.252 4.320 0.005 0.000 0.203 350 K C 0.655 176.867 176.600 -0.648 0.000 1.051 350 K CA 1.038 57.061 56.287 -0.441 0.000 0.957 350 K CB 0.283 32.446 32.500 -0.562 0.000 0.738 350 K HN 0.108 nan 8.250 nan 0.000 0.447 351 Y N -0.632 119.308 120.300 -0.600 0.000 2.531 351 Y HA 0.282 4.835 4.550 0.005 0.000 0.249 351 Y C 1.691 177.205 175.900 -0.643 0.000 1.168 351 Y CA -0.122 57.494 58.100 -0.807 0.000 1.226 351 Y CB 0.465 37.978 38.460 -1.579 0.000 1.177 351 Y HN 0.148 nan 8.280 nan 0.000 0.527 352 G N 0.640 109.300 108.800 -0.234 0.000 2.597 352 G HA2 -0.425 3.537 3.960 0.005 0.000 0.222 352 G HA3 -0.425 3.537 3.960 0.005 0.000 0.222 352 G C 1.258 176.111 174.900 -0.079 0.000 1.135 352 G CA 1.948 46.998 45.100 -0.085 0.000 0.759 352 G HN 0.391 nan 8.290 nan 0.000 0.595 353 D N 0.195 120.579 120.400 -0.026 0.000 2.228 353 D HA 0.065 4.708 4.640 0.005 0.000 0.203 353 D C 2.522 178.521 176.300 -0.502 0.000 0.988 353 D CA 1.155 55.129 54.000 -0.043 0.000 0.864 353 D CB -0.129 40.794 40.800 0.205 0.000 0.928 353 D HN 0.377 nan 8.370 nan 0.000 0.469 354 A N -0.655 121.631 122.820 -0.890 0.000 2.251 354 A HA 0.113 4.436 4.320 0.005 0.000 0.209 354 A C 1.358 178.557 177.584 -0.642 0.000 1.187 354 A CA 0.235 51.411 52.037 -1.436 0.000 0.823 354 A CB 0.074 18.295 19.000 -1.299 0.000 0.846 354 A HN 0.141 nan 8.150 nan 0.000 0.486 355 I N -2.316 117.990 120.570 -0.439 0.000 3.818 355 I HA 0.151 4.324 4.170 0.005 0.000 0.242 355 I C 0.434 176.443 176.117 -0.179 0.000 1.111 355 I CA -0.208 60.900 61.300 -0.320 0.000 1.576 355 I CB -1.481 36.244 38.000 -0.458 0.000 1.572 355 I HN 0.260 nan 8.210 nan 0.000 0.450 356 Y N 1.998 122.290 120.300 -0.012 0.000 2.805 356 Y HA 0.236 4.789 4.550 0.005 0.000 0.337 356 Y C 1.721 177.642 175.900 0.035 0.000 1.252 356 Y CA 0.862 58.981 58.100 0.031 0.000 1.515 356 Y CB -0.124 38.366 38.460 0.050 0.000 1.305 356 Y HN 0.543 nan 8.280 nan 0.000 0.600 357 G N 1.217 110.155 108.800 0.229 0.000 2.186 357 G HA2 -0.341 3.622 3.960 0.005 0.000 0.266 357 G HA3 -0.341 3.622 3.960 0.005 0.000 0.266 357 G C 0.235 175.218 174.900 0.139 0.000 0.982 357 G CA 0.518 45.715 45.100 0.162 0.000 0.670 357 G HN 0.918 nan 8.290 nan 0.000 0.533 358 T N -2.058 112.568 114.554 0.120 0.000 2.816 358 T HA 0.718 5.070 4.350 0.005 0.000 0.282 358 T C 0.330 175.100 174.700 0.118 0.000 0.993 358 T CA 0.292 62.474 62.100 0.136 0.000 0.994 358 T CB 2.063 71.005 68.868 0.124 0.000 1.025 358 T HN 0.443 nan 8.240 nan 0.000 0.529 359 S N -0.198 115.586 115.700 0.140 0.000 2.634 359 S HA 0.664 5.137 4.470 0.005 0.000 0.296 359 S C 0.138 174.834 174.600 0.161 0.000 1.104 359 S CA -0.803 57.475 58.200 0.130 0.000 0.920 359 S CB 1.569 64.844 63.200 0.126 0.000 1.111 359 S HN 1.000 nan 8.310 nan 0.000 0.493 360 V N 0.252 120.258 119.914 0.153 0.000 3.003 360 V HA 0.549 4.672 4.120 0.005 0.000 0.305 360 V C -0.056 176.185 176.094 0.245 0.000 1.078 360 V CA -0.368 62.044 62.300 0.187 0.000 1.083 360 V CB 0.389 32.294 31.823 0.137 0.000 1.039 360 V HN 0.900 nan 8.190 nan 0.000 0.481 361 W N 1.681 123.010 121.300 0.048 0.000 2.600 361 W HA 0.464 5.127 4.660 0.005 0.000 0.517 361 W C 1.633 178.129 176.519 -0.038 0.000 1.750 361 W CA -0.332 57.010 57.345 -0.006 0.000 1.805 361 W CB 0.991 30.431 29.460 -0.034 0.000 2.314 361 W HN 0.786 nan 8.180 nan 0.000 0.726 362 E N 0.249 119.914 120.200 -0.892 0.000 2.110 362 E HA -0.125 4.228 4.350 0.005 0.000 0.193 362 E C 0.177 176.474 176.600 -0.506 0.000 0.988 362 E CA 1.184 57.118 56.400 -0.777 0.000 0.804 362 E CB -0.027 28.976 29.700 -1.162 0.000 0.745 362 E HN 0.222 nan 8.360 nan 0.000 0.458 363 R N -0.555 119.639 120.500 -0.510 0.000 2.771 363 R HA 0.372 4.715 4.340 0.005 0.000 0.274 363 R C 0.640 177.016 176.300 0.126 0.000 0.987 363 R CA -0.422 55.566 56.100 -0.187 0.000 0.908 363 R CB 0.707 30.864 30.300 -0.237 0.000 1.213 363 R HN 0.076 nan 8.270 nan 0.000 0.468 364 C N -1.797 117.621 119.300 0.196 0.000 2.590 364 C HA 0.478 4.941 4.460 0.005 0.000 0.272 364 C C 0.417 175.647 174.990 0.401 0.000 1.338 364 C CA -0.287 58.917 59.018 0.310 0.000 1.746 364 C CB -0.931 26.907 27.740 0.164 0.000 2.020 364 C HN 0.623 nan 8.230 nan 0.000 0.531 365 C N 0.941 120.463 119.300 0.371 0.000 2.898 365 C HA 0.937 5.400 4.460 0.005 0.000 0.304 365 C C 0.229 175.398 174.990 0.297 0.000 1.237 365 C CA 0.342 59.498 59.018 0.230 0.000 1.529 365 C CB 0.990 28.780 27.740 0.083 0.000 2.021 365 C HN 0.899 nan 8.230 nan 0.000 0.474 366 A N 1.556 124.416 122.820 0.068 0.000 2.536 366 A HA 0.993 5.315 4.320 0.005 0.000 0.293 366 A C -1.775 175.748 177.584 -0.101 0.000 1.119 366 A CA -0.633 51.443 52.037 0.064 0.000 0.654 366 A CB 1.491 20.636 19.000 0.242 0.000 1.291 366 A HN 1.037 nan 8.150 nan 0.000 0.439 367 K N -0.658 119.699 120.400 -0.072 0.000 2.551 367 K HA 0.685 5.008 4.320 0.005 0.000 0.269 367 K C -0.588 175.978 176.600 -0.056 0.000 0.949 367 K CA -0.107 56.117 56.287 -0.105 0.000 0.849 367 K CB 1.556 34.015 32.500 -0.069 0.000 1.411 367 K HN 1.031 nan 8.250 nan 0.000 0.432 368 T N -1.610 112.918 114.554 -0.044 0.000 2.882 368 T HA 0.139 4.492 4.350 0.005 0.000 0.287 368 T C 1.034 175.752 174.700 0.031 0.000 1.014 368 T CA -0.457 61.661 62.100 0.030 0.000 1.049 368 T CB 1.220 70.149 68.868 0.101 0.000 1.001 368 T HN 0.737 nan 8.240 nan 0.000 0.525 369 E N 0.761 120.989 120.200 0.047 0.000 2.208 369 E HA -0.222 4.131 4.350 0.005 0.000 0.202 369 E C 0.811 177.428 176.600 0.028 0.000 1.014 369 E CA 1.745 58.167 56.400 0.037 0.000 0.819 369 E CB -0.059 29.667 29.700 0.044 0.000 0.735 369 E HN 0.869 nan 8.360 nan 0.000 0.469 370 D N -1.859 118.561 120.400 0.032 0.000 2.525 370 D HA 0.124 4.767 4.640 0.005 0.000 0.229 370 D C 0.865 177.173 176.300 0.014 0.000 1.202 370 D CA 0.392 54.406 54.000 0.023 0.000 0.828 370 D CB 0.369 41.185 40.800 0.028 0.000 1.008 370 D HN 0.162 nan 8.370 nan 0.000 0.493 371 G N -0.267 108.536 108.800 0.006 0.000 2.159 371 G HA2 -0.278 3.685 3.960 0.005 0.000 0.256 371 G HA3 -0.278 3.685 3.960 0.005 0.000 0.256 371 G C 0.379 175.260 174.900 -0.031 0.000 0.977 371 G CA 0.301 45.393 45.100 -0.013 0.000 0.652 371 G HN 0.445 nan 8.290 nan 0.000 0.531 372 T N 2.298 116.842 114.554 -0.017 0.000 2.799 372 T HA 0.394 4.747 4.350 0.005 0.000 0.296 372 T C 0.442 175.067 174.700 -0.124 0.000 0.947 372 T CA -0.012 62.066 62.100 -0.037 0.000 1.141 372 T CB 1.099 70.007 68.868 0.066 0.000 0.891 372 T HN 0.274 nan 8.240 nan 0.000 0.533 373 E N 2.728 122.819 120.200 -0.182 0.000 2.383 373 E HA 0.320 4.673 4.350 0.005 0.000 0.264 373 E C -0.042 176.340 176.600 -0.364 0.000 1.050 373 E CA 0.010 56.268 56.400 -0.238 0.000 0.896 373 E CB 1.107 30.672 29.700 -0.224 0.000 0.982 373 E HN 0.527 nan 8.360 nan 0.000 0.424 374 I N 2.563 122.880 120.570 -0.422 0.000 2.647 374 I HA 0.362 4.535 4.170 0.005 0.000 0.295 374 I C -0.038 175.716 176.117 -0.605 0.000 1.078 374 I CA -0.889 60.023 61.300 -0.646 0.000 1.048 374 I CB 1.690 39.166 38.000 -0.873 0.000 1.239 374 I HN 0.063 nan 8.210 nan 0.000 0.421 375 R N 4.426 124.552 120.500 -0.624 0.000 2.750 375 R HA 0.630 4.973 4.340 0.005 0.000 0.281 375 R C -1.512 174.468 176.300 -0.532 0.000 0.972 375 R CA -0.839 54.990 56.100 -0.453 0.000 0.912 375 R CB 2.066 32.246 30.300 -0.201 0.000 1.187 375 R HN 0.355 nan 8.270 nan 0.000 0.464 376 F N 0.026 120.008 119.950 0.055 0.000 2.492 376 F HA 0.574 5.104 4.527 0.005 0.000 0.327 376 F C 0.948 176.824 175.800 0.127 0.000 1.079 376 F CA -0.575 57.480 58.000 0.091 0.000 0.967 376 F CB 2.166 41.308 39.000 0.237 0.000 1.169 376 F HN 0.464 nan 8.300 nan 0.000 0.472 377 T N -0.357 114.391 114.554 0.324 0.000 2.883 377 T HA 0.724 5.077 4.350 0.005 0.000 0.296 377 T C -1.079 173.801 174.700 0.299 0.000 1.117 377 T CA -1.091 61.183 62.100 0.290 0.000 1.006 377 T CB 2.598 71.595 68.868 0.215 0.000 1.191 377 T HN 0.860 nan 8.240 nan 0.000 0.508 378 R N -0.020 120.644 120.500 0.273 0.000 2.808 378 R HA 0.670 5.013 4.340 0.005 0.000 0.272 378 R C -1.709 174.719 176.300 0.213 0.000 0.995 378 R CA -0.937 55.257 56.100 0.157 0.000 0.917 378 R CB 1.777 32.155 30.300 0.131 0.000 1.217 378 R HN 0.748 nan 8.270 nan 0.000 0.471 379 K N 3.060 123.528 120.400 0.114 0.000 2.764 379 K HA 0.273 4.596 4.320 0.005 0.000 0.239 379 K C -0.627 176.002 176.600 0.047 0.000 1.048 379 K CA -0.538 55.835 56.287 0.143 0.000 1.057 379 K CB 0.823 33.480 32.500 0.263 0.000 1.251 379 K HN 0.886 nan 8.250 nan 0.000 0.524 380 C N 0.212 119.546 119.300 0.057 0.000 0.178 380 C HA -0.359 4.104 4.460 0.005 0.000 0.017 380 C C 2.106 177.098 174.990 0.003 0.000 0.173 380 C CA 1.446 60.485 59.018 0.036 0.000 0.499 380 C CB -1.429 26.331 27.740 0.033 0.000 3.212 380 C HN 1.059 nan 8.230 nan 0.000 1.118 381 N N 1.304 119.990 118.700 -0.023 0.000 2.409 381 N HA -0.023 4.719 4.740 0.005 0.000 0.179 381 N C 0.280 175.705 175.510 -0.141 0.000 1.032 381 N CA 0.507 53.525 53.050 -0.054 0.000 0.898 381 N CB -0.176 38.289 38.487 -0.037 0.000 0.971 381 N HN 0.698 nan 8.380 nan 0.000 0.441 382 R N 1.252 121.636 120.500 -0.194 0.000 2.296 382 R HA 0.322 4.665 4.340 0.005 0.000 0.323 382 R C -0.575 175.382 176.300 -0.572 0.000 1.067 382 R CA -0.054 55.814 56.100 -0.387 0.000 0.946 382 R CB 0.935 30.964 30.300 -0.451 0.000 0.991 382 R HN 0.226 nan 8.270 nan 0.000 0.448 383 I N 4.253 124.465 120.570 -0.597 0.000 2.339 383 I HA 0.256 4.429 4.170 0.005 0.000 0.290 383 I C -0.413 175.383 176.117 -0.534 0.000 0.994 383 I CA -0.633 60.300 61.300 -0.612 0.000 1.191 383 I CB 0.889 38.421 38.000 -0.780 0.000 1.343 383 I HN 0.385 nan 8.210 nan 0.000 0.458 384 F N 5.561 125.442 119.950 -0.114 0.000 2.404 384 F HA 0.396 4.926 4.527 0.005 0.000 0.345 384 F C 0.176 175.954 175.800 -0.037 0.000 1.110 384 F CA -0.827 57.138 58.000 -0.059 0.000 1.130 384 F CB 1.372 40.327 39.000 -0.074 0.000 1.129 384 F HN 0.048 nan 8.300 nan 0.000 0.500 385 V N 5.598 125.599 119.914 0.144 0.000 2.313 385 V HA 0.361 4.484 4.120 0.005 0.000 0.278 385 V C -0.017 176.098 176.094 0.036 0.000 1.017 385 V CA -0.633 61.676 62.300 0.016 0.000 0.823 385 V CB 0.812 32.691 31.823 0.094 0.000 1.010 385 V HN 0.543 nan 8.190 nan 0.000 0.443 386 I N 5.048 125.534 120.570 -0.140 0.000 2.339 386 I HA 0.461 4.633 4.170 0.005 0.000 0.290 386 I C -0.678 175.325 176.117 -0.191 0.000 0.994 386 I CA -0.294 60.964 61.300 -0.070 0.000 1.191 386 I CB 1.288 39.232 38.000 -0.094 0.000 1.343 386 I HN 0.347 nan 8.210 nan 0.000 0.458 387 F N 5.848 125.686 119.950 -0.187 0.000 2.394 387 F HA 0.361 4.891 4.527 0.005 0.000 0.340 387 F C 0.450 176.095 175.800 -0.258 0.000 1.105 387 F CA -0.650 57.232 58.000 -0.198 0.000 1.124 387 F CB 1.060 39.989 39.000 -0.119 0.000 1.145 387 F HN 0.244 nan 8.300 nan 0.000 0.505 388 L N 4.307 125.355 121.223 -0.291 0.000 2.422 388 L HA 0.540 4.883 4.340 0.005 0.000 0.256 388 L C 0.478 177.002 176.870 -0.577 0.000 1.202 388 L CA -0.283 54.111 54.840 -0.743 0.000 1.119 388 L CB -0.907 40.574 42.059 -0.964 0.000 1.383 388 L HN 0.869 nan 8.230 nan 0.000 0.411 389 G N 2.078 110.804 108.800 -0.124 0.000 2.357 389 G HA2 0.017 3.980 3.960 0.005 0.000 0.643 389 G HA3 0.017 3.980 3.960 0.005 0.000 0.643 389 G C -1.163 173.793 174.900 0.094 0.000 1.358 389 G CA -1.037 44.111 45.100 0.080 0.000 0.986 389 G HN 0.194 nan 8.290 nan 0.000 0.620 390 I N 1.764 122.382 120.570 0.081 0.000 2.354 390 I HA 0.313 4.486 4.170 0.005 0.000 0.286 390 I C -1.922 174.203 176.117 0.013 0.000 1.007 390 I CA -1.834 59.487 61.300 0.034 0.000 1.167 390 I CB 1.717 39.747 38.000 0.050 0.000 1.320 390 I HN 0.213 nan 8.210 nan 0.000 0.458 391 P HA 0.012 nan 4.420 nan 0.000 0.265 391 P C 0.965 178.258 177.300 -0.012 0.000 1.187 391 P CA 0.024 63.117 63.100 -0.011 0.000 0.766 391 P CB 0.593 32.261 31.700 -0.052 0.000 0.820 392 T N -0.727 113.830 114.554 0.005 0.000 2.894 392 T HA 0.096 4.448 4.350 0.005 0.000 0.258 392 T C 1.092 175.792 174.700 -0.001 0.000 1.043 392 T CA 0.625 62.728 62.100 0.005 0.000 1.141 392 T CB -0.755 68.119 68.868 0.011 0.000 0.873 392 T HN 0.475 nan 8.240 nan 0.000 0.449 393 G N 0.203 109.004 108.800 0.002 0.000 2.528 393 G HA2 0.430 4.393 3.960 0.005 0.000 0.289 393 G HA3 0.430 4.393 3.960 0.005 0.000 0.289 393 G C 0.200 175.096 174.900 -0.007 0.000 1.192 393 G CA -0.591 44.510 45.100 0.001 0.000 0.921 393 G HN 0.389 nan 8.290 nan 0.000 0.512 394 E N -0.756 119.442 120.200 -0.004 0.000 2.318 394 E HA 0.002 4.355 4.350 0.005 0.000 0.193 394 E C 0.823 177.426 176.600 0.005 0.000 0.998 394 E CA 0.285 56.680 56.400 -0.008 0.000 0.859 394 E CB 0.313 30.009 29.700 -0.006 0.000 0.812 394 E HN 0.322 nan 8.360 nan 0.000 0.492 395 K N 1.827 122.237 120.400 0.017 0.000 2.248 395 K HA 0.304 4.626 4.320 0.005 0.000 0.281 395 K C -0.917 175.710 176.600 0.045 0.000 1.054 395 K CA -0.120 56.187 56.287 0.033 0.000 0.903 395 K CB 0.581 33.101 32.500 0.033 0.000 1.077 395 K HN -0.073 nan 8.250 nan 0.000 0.474 396 I N 4.348 124.957 120.570 0.066 0.000 2.433 396 I HA 0.260 4.433 4.170 0.005 0.000 0.292 396 I C -0.790 175.401 176.117 0.124 0.000 1.001 396 I CA -1.244 60.115 61.300 0.099 0.000 1.119 396 I CB 2.147 40.212 38.000 0.108 0.000 1.289 396 I HN 0.242 nan 8.210 nan 0.000 0.438 397 V N 7.148 127.135 119.914 0.122 0.000 2.378 397 V HA 0.423 4.546 4.120 0.005 0.000 0.288 397 V C 0.010 176.173 176.094 0.115 0.000 1.016 397 V CA -0.446 61.921 62.300 0.111 0.000 0.840 397 V CB 1.690 33.561 31.823 0.080 0.000 0.994 397 V HN 0.480 nan 8.190 nan 0.000 0.431 398 I N 4.380 125.025 120.570 0.124 0.000 2.304 398 I HA 0.325 4.498 4.170 0.005 0.000 0.291 398 I C 0.606 176.776 176.117 0.089 0.000 1.018 398 I CA -0.344 61.018 61.300 0.103 0.000 1.260 398 I CB 1.050 39.126 38.000 0.126 0.000 1.390 398 I HN 0.635 nan 8.210 nan 0.000 0.475 399 E N 5.897 126.135 120.200 0.064 0.000 2.373 399 E HA 0.026 4.379 4.350 0.005 0.000 0.267 399 E C -0.424 176.216 176.600 0.067 0.000 1.032 399 E CA -0.224 56.210 56.400 0.057 0.000 0.889 399 E CB 0.419 30.141 29.700 0.037 0.000 0.984 399 E HN 0.504 nan 8.360 nan 0.000 0.425 400 D N 1.150 121.584 120.400 0.058 0.000 2.689 400 D HA -0.208 4.435 4.640 0.005 0.000 0.237 400 D C -0.938 175.403 176.300 0.070 0.000 1.148 400 D CA 0.773 54.804 54.000 0.052 0.000 0.656 400 D CB -0.781 40.041 40.800 0.037 0.000 1.050 400 D HN 0.119 nan 8.370 nan 0.000 0.426 401 L N 0.306 121.583 121.223 0.091 0.000 2.493 401 L HA 0.460 4.803 4.340 0.005 0.000 0.265 401 L C -1.278 175.661 176.870 0.114 0.000 0.954 401 L CA -0.439 54.470 54.840 0.116 0.000 0.844 401 L CB 2.046 44.218 42.059 0.189 0.000 1.302 401 L HN -0.008 nan 8.230 nan 0.000 0.405 402 N N 4.390 123.155 118.700 0.107 0.000 2.240 402 N HA 0.754 5.497 4.740 0.005 0.000 0.302 402 N C -1.680 173.909 175.510 0.132 0.000 1.106 402 N CA -0.800 52.318 53.050 0.114 0.000 0.778 402 N CB 2.204 40.741 38.487 0.083 0.000 1.431 402 N HN 0.466 nan 8.380 nan 0.000 0.479 403 L N 0.827 122.136 121.223 0.143 0.000 2.354 403 L HA 0.479 4.822 4.340 0.005 0.000 0.269 403 L C 0.079 177.036 176.870 0.145 0.000 1.005 403 L CA -0.537 54.374 54.840 0.119 0.000 0.819 403 L CB 2.073 44.149 42.059 0.027 0.000 1.311 403 L HN 0.629 nan 8.230 nan 0.000 0.423 404 S N -0.740 115.027 115.700 0.112 0.000 2.751 404 S HA 0.352 4.825 4.470 0.005 0.000 0.247 404 S C 0.465 175.120 174.600 0.092 0.000 1.103 404 S CA 0.077 58.344 58.200 0.110 0.000 1.090 404 S CB 1.023 64.274 63.200 0.086 0.000 0.928 404 S HN 0.663 nan 8.310 nan 0.000 0.502 405 A N 1.235 124.106 122.820 0.084 0.000 2.063 405 A HA 0.666 4.989 4.320 0.005 0.000 0.211 405 A C 1.992 179.649 177.584 0.123 0.000 1.177 405 A CA 0.664 52.726 52.037 0.041 0.000 0.759 405 A CB -0.876 18.079 19.000 -0.075 0.000 0.857 405 A HN 1.540 nan 8.150 nan 0.000 0.468 406 G N -1.231 107.754 108.800 0.309 0.000 2.302 406 G HA2 -0.272 3.691 3.960 0.005 0.000 0.263 406 G HA3 -0.272 3.691 3.960 0.005 0.000 0.263 406 G C 0.580 175.736 174.900 0.428 0.000 0.995 406 G CA 1.226 46.560 45.100 0.389 0.000 0.622 406 G HN 1.449 nan 8.290 nan 0.000 0.538 407 T N 0.101 114.781 114.554 0.209 0.000 2.985 407 T HA 0.545 4.898 4.350 0.005 0.000 0.315 407 T C -0.722 173.930 174.700 -0.079 0.000 1.001 407 T CA -0.018 62.158 62.100 0.127 0.000 1.016 407 T CB 1.183 70.096 68.868 0.074 0.000 0.993 407 T HN 0.652 nan 8.240 nan 0.000 0.454 408 V N 6.653 126.476 119.914 -0.152 0.000 2.417 408 V HA 0.638 4.761 4.120 0.005 0.000 0.291 408 V C 0.305 176.384 176.094 -0.025 0.000 1.024 408 V CA -0.810 61.358 62.300 -0.220 0.000 0.861 408 V CB 1.604 33.136 31.823 -0.486 0.000 0.985 408 V HN 0.762 nan 8.190 nan 0.000 0.436 409 R N 1.563 122.065 120.500 0.002 0.000 2.873 409 R HA 0.488 4.831 4.340 0.005 0.000 0.264 409 R C -0.543 175.830 176.300 0.122 0.000 1.026 409 R CA -0.909 55.230 56.100 0.065 0.000 1.002 409 R CB 1.666 31.991 30.300 0.040 0.000 1.174 409 R HN 0.804 nan 8.270 nan 0.000 0.488 410 H N 2.553 121.657 119.070 0.056 0.000 2.652 410 H HA 0.016 4.575 4.556 0.005 0.000 0.298 410 H C 0.301 175.702 175.328 0.122 0.000 1.076 410 H CA -0.068 56.035 56.048 0.090 0.000 1.360 410 H CB 0.639 30.433 29.762 0.054 0.000 1.421 410 H HN 0.621 nan 8.280 nan 0.000 0.464 411 F N 5.256 125.033 119.950 -0.290 0.000 2.065 411 F HA -0.295 4.234 4.527 0.005 0.000 0.298 411 F C 1.774 177.461 175.800 -0.188 0.000 1.112 411 F CA 1.664 59.575 58.000 -0.148 0.000 1.212 411 F CB -0.220 38.773 39.000 -0.011 0.000 0.975 411 F HN 0.544 nan 8.300 nan 0.000 0.476 412 L N 0.418 121.468 121.223 -0.289 0.000 2.012 412 L HA -0.180 4.163 4.340 0.005 0.000 0.210 412 L C 2.641 179.441 176.870 -0.117 0.000 1.073 412 L CA 2.718 57.438 54.840 -0.199 0.000 0.748 412 L CB -1.241 40.828 42.059 0.016 0.000 0.891 412 L HN 0.502 nan 8.230 nan 0.000 0.431 413 T N -4.863 109.780 114.554 0.148 0.000 3.031 413 T HA 0.303 4.656 4.350 0.005 0.000 0.254 413 T C 1.566 176.285 174.700 0.032 0.000 1.060 413 T CA 0.590 62.763 62.100 0.122 0.000 1.135 413 T CB 0.047 69.027 68.868 0.187 0.000 0.896 413 T HN 0.577 nan 8.240 nan 0.000 0.472 414 G N 1.121 109.941 108.800 0.032 0.000 2.194 414 G HA2 -0.207 3.756 3.960 0.005 0.000 0.236 414 G HA3 -0.207 3.756 3.960 0.005 0.000 0.236 414 G C -0.102 174.824 174.900 0.043 0.000 0.987 414 G CA -0.076 45.017 45.100 -0.011 0.000 0.635 414 G HN 0.570 nan 8.290 nan 0.000 0.520 415 E N 1.092 121.345 120.200 0.087 0.000 2.558 415 E HA 0.103 4.456 4.350 0.005 0.000 0.255 415 E C 0.980 177.629 176.600 0.082 0.000 0.968 415 E CA 0.006 56.447 56.400 0.067 0.000 0.939 415 E CB 0.589 30.314 29.700 0.042 0.000 0.921 415 E HN 0.526 nan 8.360 nan 0.000 0.477 416 R N 3.218 123.755 120.500 0.062 0.000 2.590 416 R HA 0.208 4.551 4.340 0.005 0.000 0.274 416 R C -0.309 176.046 176.300 0.092 0.000 1.061 416 R CA -0.029 56.117 56.100 0.077 0.000 1.081 416 R CB 0.385 30.726 30.300 0.067 0.000 0.984 416 R HN 0.370 nan 8.270 nan 0.000 0.448 417 L N 1.480 122.780 121.223 0.129 0.000 2.323 417 L HA 0.396 4.739 4.340 0.005 0.000 0.265 417 L C -0.164 176.845 176.870 0.231 0.000 1.012 417 L CA -0.918 54.008 54.840 0.144 0.000 0.820 417 L CB 1.997 44.137 42.059 0.136 0.000 1.334 417 L HN 0.555 nan 8.230 nan 0.000 0.427 418 S N 1.275 117.082 115.700 0.179 0.000 2.537 418 S HA 0.755 5.228 4.470 0.005 0.000 0.275 418 S C -0.812 173.941 174.600 0.254 0.000 1.272 418 S CA -0.370 57.925 58.200 0.159 0.000 1.050 418 S CB 0.197 63.433 63.200 0.059 0.000 0.961 418 S HN 0.434 nan 8.310 nan 0.000 0.496 419 F N 1.749 121.719 119.950 0.034 0.000 2.741 419 F HA 0.832 5.362 4.527 0.005 0.000 0.313 419 F C -1.373 174.450 175.800 0.038 0.000 1.153 419 F CA -1.175 56.851 58.000 0.042 0.000 0.931 419 F CB 0.935 39.967 39.000 0.054 0.000 1.335 419 F HN 0.687 nan 8.300 nan 0.000 0.460 420 K N 0.494 120.916 120.400 0.035 0.000 2.610 420 K HA 0.416 4.739 4.320 0.005 0.000 0.278 420 K C -2.177 174.501 176.600 0.129 0.000 0.964 420 K CA -0.999 55.257 56.287 -0.051 0.000 0.859 420 K CB 1.488 33.924 32.500 -0.106 0.000 1.434 420 K HN 0.590 nan 8.250 nan 0.000 0.410 421 N N 1.634 120.402 118.700 0.113 0.000 2.402 421 N HA 0.133 4.875 4.740 0.005 0.000 0.252 421 N C -0.833 174.718 175.510 0.069 0.000 1.118 421 N CA -0.320 52.800 53.050 0.116 0.000 0.945 421 N CB 1.397 39.950 38.487 0.110 0.000 1.147 421 N HN 0.342 nan 8.380 nan 0.000 0.495 422 V N 2.281 122.238 119.914 0.071 0.000 2.217 422 V HA 0.393 4.516 4.120 0.005 0.000 0.264 422 V C 1.140 177.262 176.094 0.047 0.000 1.107 422 V CA -0.040 62.290 62.300 0.051 0.000 0.913 422 V CB -0.171 31.682 31.823 0.051 0.000 1.153 422 V HN 0.988 nan 8.190 nan 0.000 0.469 423 G N 5.093 113.917 108.800 0.040 0.000 2.509 423 G HA2 -0.290 3.673 3.960 0.005 0.000 0.256 423 G HA3 -0.290 3.673 3.960 0.005 0.000 0.256 423 G C 0.632 175.556 174.900 0.040 0.000 1.152 423 G CA 0.352 45.473 45.100 0.035 0.000 0.951 423 G HN 0.825 nan 8.290 nan 0.000 0.559 424 K N 1.004 121.427 120.400 0.038 0.000 2.458 424 K HA 0.357 4.680 4.320 0.005 0.000 0.194 424 K C 0.456 177.088 176.600 0.052 0.000 1.024 424 K CA 0.571 56.881 56.287 0.039 0.000 1.108 424 K CB 0.090 32.606 32.500 0.028 0.000 0.846 424 K HN 0.349 nan 8.250 nan 0.000 0.518 425 N N 0.625 119.362 118.700 0.062 0.000 2.531 425 N HA 0.462 5.205 4.740 0.005 0.000 0.290 425 N C -1.879 173.691 175.510 0.100 0.000 1.257 425 N CA -0.900 52.196 53.050 0.078 0.000 0.863 425 N CB 1.498 40.027 38.487 0.069 0.000 1.320 425 N HN 0.072 nan 8.380 nan 0.000 0.538 426 L N -0.123 121.172 121.223 0.120 0.000 2.376 426 L HA 0.484 4.827 4.340 0.005 0.000 0.275 426 L C -0.776 176.190 176.870 0.159 0.000 0.987 426 L CA -0.302 54.632 54.840 0.156 0.000 0.828 426 L CB 1.375 43.536 42.059 0.169 0.000 1.249 426 L HN 0.514 nan 8.230 nan 0.000 0.409 427 E N 5.277 125.578 120.200 0.167 0.000 2.179 427 E HA 0.651 5.004 4.350 0.005 0.000 0.275 427 E C -1.383 175.334 176.600 0.195 0.000 0.945 427 E CA -0.574 55.916 56.400 0.150 0.000 0.792 427 E CB 1.376 31.139 29.700 0.106 0.000 1.125 427 E HN 0.660 nan 8.360 nan 0.000 0.397 428 I N 1.942 122.615 120.570 0.170 0.000 2.802 428 I HA 0.255 4.428 4.170 0.005 0.000 0.298 428 I C -0.704 175.482 176.117 0.115 0.000 1.176 428 I CA -0.853 60.556 61.300 0.181 0.000 1.025 428 I CB 2.631 40.739 38.000 0.181 0.000 1.243 428 I HN 0.386 nan 8.210 nan 0.000 0.424 429 T N 4.123 118.739 114.554 0.103 0.000 2.772 429 T HA 0.488 4.841 4.350 0.005 0.000 0.288 429 T C -0.470 174.253 174.700 0.040 0.000 0.994 429 T CA -0.431 61.704 62.100 0.058 0.000 0.951 429 T CB 1.487 70.385 68.868 0.049 0.000 0.933 429 T HN 0.218 nan 8.240 nan 0.000 0.447 430 V N 6.681 126.599 119.914 0.008 0.000 2.326 430 V HA 0.330 4.453 4.120 0.005 0.000 0.281 430 V C -2.377 173.693 176.094 -0.039 0.000 1.015 430 V CA -2.338 59.951 62.300 -0.019 0.000 0.823 430 V CB 1.299 33.095 31.823 -0.046 0.000 1.009 430 V HN 0.644 nan 8.190 nan 0.000 0.436 431 P HA 0.060 nan 4.420 nan 0.000 0.264 431 P C 0.822 178.082 177.300 -0.067 0.000 1.193 431 P CA 0.059 63.128 63.100 -0.052 0.000 0.763 431 P CB 0.688 32.353 31.700 -0.057 0.000 0.810 432 K N 4.932 125.305 120.400 -0.045 0.000 2.160 432 K HA -0.239 4.084 4.320 0.005 0.000 0.206 432 K C 1.608 178.179 176.600 -0.048 0.000 1.047 432 K CA 1.810 58.074 56.287 -0.039 0.000 0.930 432 K CB -0.039 32.447 32.500 -0.022 0.000 0.720 432 K HN 0.381 nan 8.250 nan 0.000 0.450 433 K N 0.297 120.664 120.400 -0.056 0.000 2.152 433 K HA -0.167 4.156 4.320 0.005 0.000 0.206 433 K C 1.925 178.470 176.600 -0.093 0.000 1.048 433 K CA 1.509 57.762 56.287 -0.058 0.000 0.933 433 K CB -0.293 32.175 32.500 -0.054 0.000 0.721 433 K HN 0.164 nan 8.250 nan 0.000 0.447 434 L N 1.095 122.216 121.223 -0.171 0.000 2.034 434 L HA -0.067 4.276 4.340 0.005 0.000 0.203 434 L C 2.588 179.375 176.870 -0.138 0.000 1.074 434 L CA 0.783 55.416 54.840 -0.344 0.000 0.748 434 L CB -0.623 41.002 42.059 -0.724 0.000 0.905 434 L HN 0.102 nan 8.230 nan 0.000 0.439 435 L N 0.022 121.195 121.223 -0.084 0.000 2.151 435 L HA -0.266 4.076 4.340 0.005 0.000 0.215 435 L C 2.414 179.304 176.870 0.033 0.000 1.084 435 L CA 1.394 56.233 54.840 -0.003 0.000 0.764 435 L CB -0.547 41.495 42.059 -0.028 0.000 0.891 435 L HN 0.384 nan 8.230 nan 0.000 0.435 436 E N -0.881 119.326 120.200 0.011 0.000 2.427 436 E HA -0.107 4.246 4.350 0.005 0.000 0.196 436 E C 1.990 178.624 176.600 0.055 0.000 1.028 436 E CA 1.338 57.755 56.400 0.030 0.000 0.864 436 E CB 0.076 29.783 29.700 0.011 0.000 0.813 436 E HN 0.646 nan 8.360 nan 0.000 0.514 437 T N -1.350 113.248 114.554 0.073 0.000 3.054 437 T HA -0.014 4.338 4.350 0.005 0.000 0.259 437 T C 0.789 175.590 174.700 0.169 0.000 1.092 437 T CA -0.073 62.090 62.100 0.105 0.000 1.121 437 T CB 0.103 69.034 68.868 0.105 0.000 0.912 437 T HN -0.162 nan 8.240 nan 0.000 0.489 438 D N 1.733 122.272 120.400 0.231 0.000 2.414 438 D HA 0.205 4.848 4.640 0.005 0.000 0.242 438 D C 0.963 177.432 176.300 0.281 0.000 1.129 438 D CA 0.080 54.271 54.000 0.317 0.000 0.885 438 D CB 1.831 42.814 40.800 0.304 0.000 1.198 438 D HN 0.189 nan 8.370 nan 0.000 0.437 439 S N 1.583 117.524 115.700 0.403 0.000 2.315 439 S HA 0.059 4.532 4.470 0.005 0.000 0.211 439 S C 1.648 176.419 174.600 0.285 0.000 1.029 439 S CA 0.484 58.882 58.200 0.330 0.000 0.956 439 S CB 0.112 63.545 63.200 0.388 0.000 0.918 439 S HN 0.497 nan 8.310 nan 0.000 0.470 440 I N 0.570 121.352 120.570 0.354 0.000 4.456 440 I HA 0.183 4.356 4.170 0.005 0.000 0.329 440 I C -0.269 175.968 176.117 0.201 0.000 1.313 440 I CA 0.131 61.547 61.300 0.193 0.000 1.205 440 I CB 1.200 39.212 38.000 0.021 0.000 1.179 440 I HN 0.338 nan 8.210 nan 0.000 0.419 441 T N -0.414 114.259 114.554 0.197 0.000 2.886 441 T HA 0.534 4.887 4.350 0.005 0.000 0.292 441 T C -0.836 173.875 174.700 0.018 0.000 1.012 441 T CA -0.660 61.500 62.100 0.099 0.000 0.982 441 T CB 2.474 71.395 68.868 0.088 0.000 1.018 441 T HN -0.069 nan 8.240 nan 0.000 0.451 442 L N 3.565 124.815 121.223 0.045 0.000 2.319 442 L HA 0.648 4.991 4.340 0.005 0.000 0.280 442 L C -0.903 175.987 176.870 0.034 0.000 1.099 442 L CA -0.218 54.606 54.840 -0.025 0.000 0.828 442 L CB 0.420 42.269 42.059 -0.351 0.000 1.150 442 L HN 0.646 nan 8.230 nan 0.000 0.442 443 V N 6.887 126.823 119.914 0.036 0.000 2.448 443 V HA 0.480 4.603 4.120 0.005 0.000 0.295 443 V C 0.129 176.300 176.094 0.128 0.000 1.025 443 V CA -0.600 61.734 62.300 0.057 0.000 0.859 443 V CB 1.415 33.172 31.823 -0.111 0.000 0.988 443 V HN 0.685 nan 8.190 nan 0.000 0.431 444 L N 3.523 124.862 121.223 0.193 0.000 2.322 444 L HA 0.712 5.055 4.340 0.005 0.000 0.269 444 L C -0.178 176.807 176.870 0.193 0.000 1.012 444 L CA -0.556 54.394 54.840 0.184 0.000 0.815 444 L CB 2.198 44.369 42.059 0.185 0.000 1.295 444 L HN 0.672 nan 8.230 nan 0.000 0.438 445 E N 1.313 121.589 120.200 0.127 0.000 2.255 445 E HA 0.610 4.963 4.350 0.005 0.000 0.256 445 E C -1.470 175.064 176.600 -0.110 0.000 0.887 445 E CA -0.551 55.859 56.400 0.017 0.000 0.782 445 E CB 1.838 31.617 29.700 0.132 0.000 1.214 445 E HN 0.679 nan 8.360 nan 0.000 0.417 446 A N 3.421 126.112 122.820 -0.215 0.000 2.325 446 A HA 0.740 5.063 4.320 0.005 0.000 0.333 446 A C -0.733 176.702 177.584 -0.248 0.000 1.155 446 A CA -0.499 51.391 52.037 -0.244 0.000 0.814 446 A CB 1.350 20.177 19.000 -0.288 0.000 1.206 446 A HN 0.424 nan 8.150 nan 0.000 0.482 447 V N 0.000 119.807 119.914 -0.179 0.000 2.409 447 V HA 0.000 4.123 4.120 0.005 0.000 0.244 447 V CA 0.000 62.219 62.300 -0.135 0.000 1.235 447 V CB 0.000 31.768 31.823 -0.091 0.000 1.184 447 V HN 0.000 nan 8.190 nan 0.000 0.556