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 2zx9_1_B 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 VE 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 0.000 176.146 176.300 -0.256 0.000 0.893 7 R CA 0.000 55.983 56.100 -0.196 0.000 0.921 7 R CB 0.000 30.253 30.300 -0.078 0.000 0.687 8 Y N 1.549 121.866 120.300 0.028 0.000 2.352 8 Y HA 0.485 5.035 4.550 0.001 0.000 0.326 8 Y C 0.889 176.800 175.900 0.017 0.000 1.166 8 Y CA -0.379 57.737 58.100 0.027 0.000 1.182 8 Y CB 1.421 39.928 38.460 0.079 0.000 1.216 8 Y HN 0.171 nan 8.280 nan 0.000 0.474 9 K N 3.730 124.211 120.400 0.136 0.000 2.095 9 K HA 0.326 4.646 4.320 0.001 0.000 0.252 9 K C -2.493 174.108 176.600 0.002 0.000 0.977 9 K CA -2.006 54.314 56.287 0.056 0.000 0.900 9 K CB 0.711 33.219 32.500 0.013 0.000 1.060 9 K HN 0.326 nan 8.250 nan 0.000 0.449 10 P HA -0.004 nan 4.420 nan 0.000 0.230 10 P C -1.567 175.485 177.300 -0.413 0.000 1.791 10 P CA 0.232 63.210 63.100 -0.203 0.000 1.020 10 P CB -0.261 31.422 31.700 -0.028 0.000 1.977 11 D N -0.239 119.926 120.400 -0.391 0.000 2.803 11 D HA 0.027 4.668 4.640 0.001 0.000 0.218 11 D C 0.274 176.351 176.300 -0.372 0.000 1.245 11 D CA -0.741 52.948 54.000 -0.517 0.000 0.821 11 D CB 0.226 40.847 40.800 -0.299 0.000 1.626 11 D HN 0.022 nan 8.370 nan 0.000 0.487 12 W N 1.360 122.603 121.300 -0.096 0.000 2.304 12 W HA -0.183 4.478 4.660 0.000 0.000 0.315 12 W C 2.383 178.869 176.519 -0.055 0.000 1.233 12 W CA 1.210 58.510 57.345 -0.075 0.000 1.261 12 W CB -0.133 29.300 29.460 -0.046 0.000 1.150 12 W HN 0.620 nan 8.180 nan 0.000 0.494 13 E N 0.260 120.547 120.200 0.145 0.000 2.058 13 E HA -0.272 4.079 4.350 0.001 0.000 0.194 13 E C 2.344 178.977 176.600 0.056 0.000 0.997 13 E CA 1.809 58.262 56.400 0.089 0.000 0.801 13 E CB -0.350 29.382 29.700 0.054 0.000 0.746 13 E HN 0.115 nan 8.360 nan 0.000 0.450 14 S N -0.115 115.603 115.700 0.029 0.000 2.355 14 S HA -0.093 4.377 4.470 0.001 0.000 0.222 14 S C 1.996 176.646 174.600 0.084 0.000 1.031 14 S CA 0.868 59.096 58.200 0.046 0.000 0.993 14 S CB -0.276 62.940 63.200 0.027 0.000 0.859 14 S HN 0.320 nan 8.310 nan 0.000 0.453 15 L N 1.349 122.578 121.223 0.009 0.000 2.261 15 L HA -0.051 4.290 4.340 0.001 0.000 0.216 15 L C 2.667 179.410 176.870 -0.212 0.000 1.114 15 L CA 1.361 56.119 54.840 -0.137 0.000 0.777 15 L CB -0.433 41.464 42.059 -0.270 0.000 0.910 15 L HN 0.367 nan 8.230 nan 0.000 0.440 16 R N 0.660 121.146 120.500 -0.023 0.000 2.189 16 R HA -0.169 4.171 4.340 0.001 0.000 0.223 16 R C 1.846 178.176 176.300 0.050 0.000 1.092 16 R CA 1.089 57.224 56.100 0.059 0.000 0.989 16 R CB -0.083 30.252 30.300 0.057 0.000 0.876 16 R HN 0.412 nan 8.270 nan 0.000 0.457 17 E N -0.297 119.950 120.200 0.078 0.000 2.333 17 E HA -0.182 4.168 4.350 0.001 0.000 0.198 17 E C 0.032 176.695 176.600 0.106 0.000 1.007 17 E CA 0.422 56.883 56.400 0.100 0.000 0.845 17 E CB -0.132 29.659 29.700 0.151 0.000 0.766 17 E HN 0.371 nan 8.360 nan 0.000 0.507 18 H N 1.355 120.388 119.070 -0.061 0.000 2.652 18 H HA 0.121 4.678 4.556 0.001 0.000 0.298 18 H C -0.479 174.720 175.328 -0.215 0.000 1.076 18 H CA 0.156 56.023 56.048 -0.302 0.000 1.360 18 H CB 0.444 29.564 29.762 -1.070 0.000 1.421 18 H HN -0.056 nan 8.280 nan 0.000 0.464 19 T N 1.151 115.385 114.554 -0.533 0.000 2.940 19 T HA 0.215 4.565 4.350 0.001 0.000 0.288 19 T C 0.232 174.706 174.700 -0.377 0.000 1.045 19 T CA -0.955 60.956 62.100 -0.315 0.000 1.018 19 T CB 1.671 70.424 68.868 -0.191 0.000 1.151 19 T HN 0.359 nan 8.240 nan 0.000 0.529 20 V N 3.045 122.858 119.914 -0.168 0.000 2.625 20 V HA 0.154 4.274 4.120 0.001 0.000 0.305 20 V C -2.115 173.845 176.094 -0.222 0.000 1.055 20 V CA -0.979 61.240 62.300 -0.134 0.000 1.209 20 V CB -0.131 31.705 31.823 0.022 0.000 0.877 20 V HN 0.781 nan 8.190 nan 0.000 0.489 21 P HA 0.127 nan 4.420 nan 0.000 0.269 21 P C 0.459 177.605 177.300 -0.256 0.000 1.215 21 P CA -0.118 62.802 63.100 -0.300 0.000 0.780 21 P CB 0.456 31.909 31.700 -0.412 0.000 0.898 22 K N 2.051 122.395 120.400 -0.094 0.000 2.097 22 K HA -0.130 4.190 4.320 0.001 0.000 0.206 22 K C 1.830 178.459 176.600 0.048 0.000 1.049 22 K CA 1.460 57.743 56.287 -0.007 0.000 0.933 22 K CB -0.299 32.234 32.500 0.054 0.000 0.717 22 K HN 0.685 nan 8.250 nan 0.000 0.442 23 W N -0.133 121.207 121.300 0.066 0.000 2.363 23 W HA -0.217 4.443 4.660 0.001 0.000 0.296 23 W C 1.456 177.999 176.519 0.040 0.000 1.212 23 W CA 0.259 57.638 57.345 0.057 0.000 1.260 23 W CB -0.961 28.537 29.460 0.064 0.000 1.131 23 W HN -0.034 nan 8.180 nan 0.000 0.530 24 F N 2.605 122.002 119.950 -0.921 0.000 2.163 24 F HA -0.155 4.372 4.527 0.001 0.000 0.297 24 F C 2.464 178.023 175.800 -0.402 0.000 1.094 24 F CA 2.334 59.688 58.000 -1.078 0.000 1.290 24 F CB -0.734 37.379 39.000 -1.478 0.000 1.017 24 F HN -0.234 nan 8.300 nan 0.000 0.483 25 D N 0.361 120.672 120.400 -0.147 0.000 2.117 25 D HA -0.174 4.467 4.640 0.001 0.000 0.197 25 D C 2.002 178.267 176.300 -0.059 0.000 0.987 25 D CA 1.294 55.256 54.000 -0.064 0.000 0.829 25 D CB 0.027 40.833 40.800 0.010 0.000 0.961 25 D HN 0.337 nan 8.370 nan 0.000 0.460 26 K N 0.604 121.009 120.400 0.009 0.000 2.062 26 K HA 0.059 4.380 4.320 0.001 0.000 0.205 26 K C 1.249 177.934 176.600 0.143 0.000 1.051 26 K CA 0.418 56.759 56.287 0.091 0.000 0.941 26 K CB -0.126 32.452 32.500 0.129 0.000 0.719 26 K HN 0.019 nan 8.250 nan 0.000 0.440 27 A N 1.962 124.866 122.820 0.141 0.000 2.425 27 A HA 0.052 4.372 4.320 0.001 0.000 0.242 27 A C 0.676 178.364 177.584 0.173 0.000 1.077 27 A CA 0.251 52.433 52.037 0.241 0.000 0.781 27 A CB 0.353 19.541 19.000 0.313 0.000 1.020 27 A HN 0.126 nan 8.150 nan 0.000 0.494 28 K N 0.323 120.904 120.400 0.301 0.000 2.517 28 K HA 0.200 4.521 4.320 0.001 0.000 0.210 28 K C -0.949 175.754 176.600 0.171 0.000 1.166 28 K CA 0.348 56.705 56.287 0.117 0.000 1.030 28 K CB 0.607 33.140 32.500 0.055 0.000 0.974 28 K HN 0.679 nan 8.250 nan 0.000 0.585 29 F N 0.215 120.199 119.950 0.056 0.000 2.574 29 F HA 0.588 5.116 4.527 0.001 0.000 0.313 29 F C -0.769 174.854 175.800 -0.296 0.000 1.130 29 F CA -0.841 57.118 58.000 -0.069 0.000 0.936 29 F CB 1.965 40.974 39.000 0.016 0.000 1.219 29 F HN -0.038 nan 8.300 nan 0.000 0.445 30 G N 5.888 114.197 108.800 -0.817 0.000 2.619 30 G HA2 0.612 4.572 3.960 0.001 0.000 0.296 30 G HA3 0.612 4.572 3.960 0.001 0.000 0.296 30 G C -1.968 172.326 174.900 -1.010 0.000 1.334 30 G CA -0.773 43.383 45.100 -1.573 0.000 0.934 30 G HN 0.458 nan 8.290 nan 0.000 0.476 31 I N 1.116 121.154 120.570 -0.886 0.000 2.354 31 I HA 0.410 4.581 4.170 0.001 0.000 0.292 31 I C -0.932 174.935 176.117 -0.416 0.000 0.989 31 I CA -0.970 59.932 61.300 -0.664 0.000 1.188 31 I CB 1.348 38.724 38.000 -1.039 0.000 1.342 31 I HN 0.205 nan 8.210 nan 0.000 0.457 32 F N 6.995 126.717 119.950 -0.379 0.000 2.399 32 F HA 0.559 5.087 4.527 0.001 0.000 0.334 32 F C 0.136 175.819 175.800 -0.194 0.000 1.097 32 F CA -1.466 56.392 58.000 -0.238 0.000 1.076 32 F CB 1.189 40.119 39.000 -0.117 0.000 1.162 32 F HN 0.181 nan 8.300 nan 0.000 0.495 33 I N 5.225 125.852 120.570 0.094 0.000 2.476 33 I HA 0.139 4.309 4.170 0.001 0.000 0.281 33 I C -1.208 174.915 176.117 0.011 0.000 1.040 33 I CA -0.678 60.619 61.300 -0.004 0.000 1.094 33 I CB 1.225 39.230 38.000 0.009 0.000 1.219 33 I HN 0.397 nan 8.210 nan 0.000 0.450 34 H N 5.017 124.011 119.070 -0.128 0.000 2.820 34 H HA 0.283 4.839 4.556 0.001 0.000 0.278 34 H C -1.255 174.218 175.328 0.242 0.000 1.142 34 H CA -0.056 55.958 56.048 -0.056 0.000 1.346 34 H CB 0.466 30.123 29.762 -0.175 0.000 1.438 34 H HN 0.481 nan 8.280 nan 0.000 0.473 35 W N 3.345 124.679 121.300 0.057 0.000 2.839 35 W HA 0.599 5.260 4.660 0.001 0.000 0.334 35 W C -0.274 176.008 176.519 -0.394 0.000 1.064 35 W CA -0.647 56.650 57.345 -0.080 0.000 1.236 35 W CB 1.687 31.232 29.460 0.142 0.000 1.405 35 W HN 0.700 nan 8.180 nan 0.000 0.478 36 G N 3.556 111.652 108.800 -1.173 0.000 2.428 36 G HA2 0.158 4.119 3.960 0.001 0.000 0.305 36 G HA3 0.158 4.119 3.960 0.001 0.000 0.305 36 G C 0.110 173.752 174.900 -2.097 0.000 1.260 36 G CA -0.172 43.955 45.100 -1.623 0.000 0.853 36 G HN 0.897 nan 8.290 nan 0.000 0.480 37 I N -0.749 118.904 120.570 -1.527 0.000 3.111 37 I HA 0.068 4.239 4.170 0.001 0.000 0.272 37 I C 1.906 177.548 176.117 -0.791 0.000 1.268 37 I CA 1.082 61.670 61.300 -1.185 0.000 1.467 37 I CB -0.439 37.033 38.000 -0.881 0.000 1.087 37 I HN 0.541 nan 8.210 nan 0.000 0.467 38 Y N 0.404 120.473 120.300 -0.384 0.000 2.516 38 Y HA 0.203 4.753 4.550 0.001 0.000 0.291 38 Y C 2.429 178.129 175.900 -0.334 0.000 1.131 38 Y CA 0.436 58.397 58.100 -0.231 0.000 1.281 38 Y CB -1.269 37.229 38.460 0.063 0.000 1.013 38 Y HN 0.028 nan 8.280 nan 0.000 0.554 39 S N 0.452 115.824 115.700 -0.546 0.000 2.442 39 S HA -0.126 4.344 4.470 0.001 0.000 0.236 39 S C 1.998 176.514 174.600 -0.141 0.000 1.007 39 S CA 1.192 59.274 58.200 -0.196 0.000 0.965 39 S CB -0.523 62.550 63.200 -0.211 0.000 0.773 39 S HN 0.378 nan 8.310 nan 0.000 0.504 40 V N 3.008 122.685 119.914 -0.395 0.000 2.221 40 V HA -0.087 4.034 4.120 0.001 0.000 0.242 40 V C -0.367 175.532 176.094 -0.325 0.000 1.041 40 V CA 1.477 63.599 62.300 -0.296 0.000 0.995 40 V CB -1.940 29.683 31.823 -0.333 0.000 0.635 40 V HN 0.334 nan 8.190 nan 0.000 0.448 41 P HA -0.121 nan 4.420 nan 0.000 0.221 41 P C 1.240 178.529 177.300 -0.019 0.000 1.145 41 P CA 1.725 64.576 63.100 -0.415 0.000 0.795 41 P CB -0.439 30.647 31.700 -1.024 0.000 0.775 42 G N -0.099 108.669 108.800 -0.052 0.000 2.424 42 G HA2 -0.222 3.739 3.960 0.001 0.000 0.294 42 G HA3 -0.222 3.739 3.960 0.001 0.000 0.294 42 G C -0.637 174.234 174.900 -0.049 0.000 0.939 42 G CA 0.290 45.400 45.100 0.016 0.000 1.143 42 G HN 0.474 nan 8.290 nan 0.000 0.507 43 W N -0.009 121.220 121.300 -0.118 0.000 2.998 43 W HA 0.677 5.338 4.660 0.001 0.000 0.335 43 W C -0.356 176.140 176.519 -0.038 0.000 1.110 43 W CA -0.166 57.080 57.345 -0.164 0.000 1.230 43 W CB 1.638 30.904 29.460 -0.324 0.000 1.405 43 W HN 0.793 nan 8.180 nan 0.000 0.493 44 A N 2.214 124.575 122.820 -0.765 0.000 2.612 44 A HA 0.643 4.964 4.320 0.001 0.000 0.293 44 A C -0.639 176.251 177.584 -1.157 0.000 1.075 44 A CA -0.673 50.946 52.037 -0.696 0.000 0.680 44 A CB 1.125 19.945 19.000 -0.299 0.000 1.279 44 A HN 0.639 nan 8.150 nan 0.000 0.411 45 T N 0.279 114.335 114.554 -0.830 0.000 2.729 45 T HA 0.541 4.892 4.350 0.001 0.000 0.296 45 T C -2.552 171.839 174.700 -0.514 0.000 0.928 45 T CA -1.651 60.062 62.100 -0.645 0.000 1.045 45 T CB 0.647 69.304 68.868 -0.351 0.000 0.902 45 T HN 0.255 nan 8.240 nan 0.000 0.500 46 P HA 0.145 nan 4.420 nan 0.000 0.237 46 P C 0.963 178.049 177.300 -0.356 0.000 1.701 46 P CA -0.127 62.661 63.100 -0.520 0.000 0.955 46 P CB -0.575 30.595 31.700 -0.883 0.000 1.937 47 T N -1.024 113.328 114.554 -0.337 0.000 2.803 47 T HA 0.059 4.410 4.350 0.001 0.000 0.269 47 T C 1.121 175.720 174.700 -0.169 0.000 1.052 47 T CA 1.588 63.537 62.100 -0.252 0.000 1.136 47 T CB -0.323 68.355 68.868 -0.317 0.000 0.864 47 T HN 0.508 nan 8.240 nan 0.000 0.467 48 G N 0.030 108.721 108.800 -0.181 0.000 2.356 48 G HA2 0.269 4.229 3.960 0.001 0.000 0.288 48 G HA3 0.269 4.229 3.960 0.001 0.000 0.288 48 G C -2.072 172.798 174.900 -0.050 0.000 1.302 48 G CA -1.088 43.971 45.100 -0.069 0.000 0.887 48 G HN 0.257 nan 8.290 nan 0.000 0.521 49 E N -0.347 119.871 120.200 0.031 0.000 2.301 49 E HA 0.468 4.819 4.350 0.001 0.000 0.275 49 E C -0.086 176.600 176.600 0.144 0.000 1.030 49 E CA -0.803 55.591 56.400 -0.010 0.000 0.852 49 E CB 2.181 31.993 29.700 0.187 0.000 1.060 49 E HN 0.495 nan 8.360 nan 0.000 0.401 50 L N 2.343 123.571 121.223 0.009 0.000 2.559 50 L HA 0.170 4.510 4.340 0.001 0.000 0.274 50 L C 1.083 178.028 176.870 0.125 0.000 1.205 50 L CA 1.819 56.602 54.840 -0.094 0.000 0.907 50 L CB -0.189 41.808 42.059 -0.104 0.000 1.153 50 L HN 0.847 nan 8.230 nan 0.000 0.490 51 G N 3.242 112.033 108.800 -0.015 0.000 2.218 51 G HA2 -0.223 3.738 3.960 0.001 0.000 0.216 51 G HA3 -0.223 3.738 3.960 0.001 0.000 0.216 51 G C 1.042 175.941 174.900 -0.001 0.000 0.994 51 G CA 0.273 45.408 45.100 0.059 0.000 0.637 51 G HN 0.563 nan 8.290 nan 0.000 0.505 52 K N -0.240 120.183 120.400 0.038 0.000 2.387 52 K HA 0.360 4.681 4.320 0.001 0.000 0.197 52 K C 0.920 177.535 176.600 0.025 0.000 1.127 52 K CA 0.417 56.692 56.287 -0.021 0.000 0.950 52 K CB 0.953 33.446 32.500 -0.010 0.000 1.017 52 K HN 0.305 nan 8.250 nan 0.000 0.519 53 V N 6.228 126.198 119.914 0.093 0.000 2.455 53 V HA 0.105 4.226 4.120 0.001 0.000 0.273 53 V C -2.153 174.004 176.094 0.106 0.000 1.045 53 V CA -1.590 60.787 62.300 0.129 0.000 0.976 53 V CB 0.706 32.697 31.823 0.280 0.000 0.993 53 V HN 0.130 nan 8.190 nan 0.000 0.475 54 P HA 0.035 nan 4.420 nan 0.000 0.261 54 P C 0.732 178.097 177.300 0.109 0.000 1.183 54 P CA -0.137 63.003 63.100 0.067 0.000 0.761 54 P CB 0.617 32.353 31.700 0.060 0.000 0.785 55 M N 1.578 121.224 119.600 0.077 0.000 2.539 55 M HA -0.096 4.384 4.480 0.001 0.000 0.261 55 M C 1.023 177.474 176.300 0.252 0.000 1.069 55 M CA 1.281 56.643 55.300 0.104 0.000 1.081 55 M CB -1.187 31.439 32.600 0.043 0.000 1.412 55 M HN 0.381 nan 8.290 nan 0.000 0.482 56 D N -0.008 120.552 120.400 0.268 0.000 2.224 56 D HA 0.001 4.642 4.640 0.001 0.000 0.205 56 D C 1.711 178.265 176.300 0.422 0.000 0.965 56 D CA 1.260 55.500 54.000 0.400 0.000 0.852 56 D CB 0.272 41.234 40.800 0.271 0.000 0.947 56 D HN 0.397 nan 8.370 nan 0.000 0.494 57 A N 0.522 123.519 122.820 0.295 0.000 2.055 57 A HA 0.002 4.323 4.320 0.001 0.000 0.205 57 A C 1.862 179.579 177.584 0.222 0.000 1.235 57 A CA -0.290 51.928 52.037 0.301 0.000 0.822 57 A CB -0.824 18.248 19.000 0.120 0.000 0.903 57 A HN 0.277 nan 8.150 nan 0.000 0.473 58 W N 0.844 122.071 121.300 -0.122 0.000 2.262 58 W HA -0.344 4.317 4.660 0.001 0.000 0.331 58 W C 1.265 177.435 176.519 -0.582 0.000 1.315 58 W CA 2.427 59.521 57.345 -0.418 0.000 1.302 58 W CB -0.759 28.307 29.460 -0.656 0.000 1.128 58 W HN 0.387 nan 8.180 nan 0.000 0.482 59 F N -1.034 118.818 119.950 -0.163 0.000 2.502 59 F HA -0.085 4.442 4.527 0.001 0.000 0.298 59 F C 1.989 177.467 175.800 -0.537 0.000 1.111 59 F CA 1.053 58.796 58.000 -0.429 0.000 1.445 59 F CB -0.936 37.759 39.000 -0.508 0.000 1.081 59 F HN -0.246 nan 8.300 nan 0.000 0.558 60 F N -0.636 119.254 119.950 -0.100 0.000 2.664 60 F HA 0.070 4.598 4.527 0.001 0.000 0.296 60 F C 0.878 176.601 175.800 -0.128 0.000 1.125 60 F CA 0.475 58.422 58.000 -0.089 0.000 1.444 60 F CB -0.064 38.891 39.000 -0.075 0.000 1.114 60 F HN -0.107 nan 8.300 nan 0.000 0.576 61 Q N 0.153 119.895 119.800 -0.097 0.000 2.563 61 Q HA 0.122 4.462 4.340 0.001 0.000 0.367 61 Q C -0.705 174.998 176.000 -0.495 0.000 0.845 61 Q CA -0.384 55.302 55.803 -0.195 0.000 1.077 61 Q CB 0.268 28.918 28.738 -0.148 0.000 1.409 61 Q HN -0.028 nan 8.270 nan 0.000 0.396 62 N N 3.389 121.753 118.700 -0.561 0.000 2.417 62 N HA -0.004 4.736 4.740 0.001 0.000 0.272 62 N C -1.450 173.657 175.510 -0.672 0.000 1.304 62 N CA -0.992 51.535 53.050 -0.872 0.000 0.906 62 N CB 0.938 39.124 38.487 -0.502 0.000 1.135 62 N HN 0.249 nan 8.380 nan 0.000 0.483 63 P HA -0.081 nan 4.420 nan 0.000 0.230 63 P C -0.300 176.923 177.300 -0.127 0.000 1.158 63 P CA 0.755 63.559 63.100 -0.493 0.000 0.769 63 P CB 0.094 31.483 31.700 -0.518 0.000 0.807 64 Y N 0.797 120.922 120.300 -0.292 0.000 2.585 64 Y HA 0.330 4.881 4.550 0.001 0.000 0.354 64 Y C 1.937 177.886 175.900 0.082 0.000 1.024 64 Y CA -1.507 56.588 58.100 -0.008 0.000 1.321 64 Y CB -0.400 38.142 38.460 0.138 0.000 1.151 64 Y HN -0.033 nan 8.280 nan 0.000 0.525 65 A N 2.795 125.709 122.820 0.158 0.000 1.972 65 A HA -0.194 4.127 4.320 0.001 0.000 0.219 65 A C 1.831 179.544 177.584 0.215 0.000 1.169 65 A CA 1.426 53.566 52.037 0.171 0.000 0.635 65 A CB -0.198 18.842 19.000 0.067 0.000 0.810 65 A HN 0.677 nan 8.150 nan 0.000 0.446 66 E N -1.188 119.019 120.200 0.011 0.000 2.331 66 E HA -0.199 4.151 4.350 0.001 0.000 0.199 66 E C 0.872 177.472 176.600 0.000 0.000 1.008 66 E CA 0.825 56.862 56.400 -0.605 0.000 0.843 66 E CB -0.506 28.490 29.700 -1.174 0.000 0.761 66 E HN 0.858 nan 8.360 nan 0.000 0.507 67 W N -0.049 121.372 121.300 0.202 0.000 3.405 67 W HA 0.199 4.860 4.660 0.001 0.000 0.300 67 W C 1.223 177.906 176.519 0.273 0.000 1.286 67 W CA -0.672 56.918 57.345 0.408 0.000 1.762 67 W CB -0.614 29.099 29.460 0.423 0.000 1.087 67 W HN 0.107 nan 8.180 nan 0.000 0.703 68 Y N 1.420 121.899 120.300 0.298 0.000 2.062 68 Y HA -0.411 4.140 4.550 0.001 0.000 0.276 68 Y C 2.525 178.453 175.900 0.046 0.000 1.189 68 Y CA 2.706 60.948 58.100 0.236 0.000 1.130 68 Y CB -0.348 38.310 38.460 0.329 0.000 0.959 68 Y HN 0.091 nan 8.280 nan 0.000 0.499 69 E N -0.284 119.907 120.200 -0.015 0.000 2.058 69 E HA -0.322 4.029 4.350 0.001 0.000 0.194 69 E C 2.084 178.387 176.600 -0.494 0.000 0.997 69 E CA 1.495 57.606 56.400 -0.483 0.000 0.801 69 E CB -0.404 28.760 29.700 -0.892 0.000 0.746 69 E HN 0.563 nan 8.360 nan 0.000 0.450 70 N N -0.168 118.077 118.700 -0.758 0.000 2.061 70 N HA -0.165 4.575 4.740 0.001 0.000 0.193 70 N C 1.827 177.156 175.510 -0.302 0.000 1.030 70 N CA 2.088 54.667 53.050 -0.786 0.000 0.856 70 N CB -0.146 37.876 38.487 -0.775 0.000 1.023 70 N HN -0.010 nan 8.380 nan 0.000 0.424 71 S N -0.068 115.561 115.700 -0.119 0.000 2.359 71 S HA -0.128 4.342 4.470 0.001 0.000 0.224 71 S C 1.738 176.274 174.600 -0.106 0.000 1.035 71 S CA 1.009 59.167 58.200 -0.069 0.000 1.018 71 S CB -0.547 62.645 63.200 -0.014 0.000 0.876 71 S HN 0.385 nan 8.310 nan 0.000 0.448 72 L N 1.918 123.010 121.223 -0.218 0.000 2.187 72 L HA -0.009 4.331 4.340 0.001 0.000 0.213 72 L C 2.014 178.884 176.870 0.001 0.000 1.100 72 L CA 1.638 56.386 54.840 -0.154 0.000 0.765 72 L CB -0.408 41.471 42.059 -0.300 0.000 0.904 72 L HN 0.115 nan 8.230 nan 0.000 0.437 73 R N -0.776 119.657 120.500 -0.111 0.000 2.235 73 R HA 0.124 4.465 4.340 0.001 0.000 0.213 73 R C 0.329 176.581 176.300 -0.080 0.000 1.059 73 R CA 0.299 56.339 56.100 -0.100 0.000 0.997 73 R CB -0.145 30.024 30.300 -0.218 0.000 0.884 73 R HN 0.326 nan 8.270 nan 0.000 0.462 74 I N 2.295 122.821 120.570 -0.072 0.000 2.269 74 I HA 0.049 4.220 4.170 0.001 0.000 0.293 74 I C 0.285 176.363 176.117 -0.066 0.000 1.106 74 I CA -0.311 60.951 61.300 -0.063 0.000 1.248 74 I CB 0.644 38.609 38.000 -0.057 0.000 1.444 74 I HN -0.058 nan 8.210 nan 0.000 0.497 75 K N 5.241 125.507 120.400 -0.224 0.000 2.527 75 K HA -0.089 4.232 4.320 0.001 0.000 0.278 75 K C 0.131 176.411 176.600 -0.533 0.000 0.981 75 K CA 0.380 56.253 56.287 -0.690 0.000 1.009 75 K CB 0.307 32.429 32.500 -0.630 0.000 0.895 75 K HN 0.445 nan 8.250 nan 0.000 0.493 76 E N 0.838 120.608 120.200 -0.715 0.000 2.414 76 E HA -0.191 4.160 4.350 0.001 0.000 0.173 76 E C -1.560 175.048 176.600 0.013 0.000 1.551 76 E CA 1.179 57.445 56.400 -0.223 0.000 0.661 76 E CB -0.956 28.588 29.700 -0.260 0.000 1.108 76 E HN 0.621 nan 8.360 nan 0.000 0.365 77 S N 0.548 116.346 115.700 0.164 0.000 2.579 77 S HA 0.752 5.222 4.470 0.001 0.000 0.272 77 S C -2.276 172.465 174.600 0.235 0.000 1.141 77 S CA -1.130 57.185 58.200 0.191 0.000 0.843 77 S CB 2.242 65.555 63.200 0.188 0.000 1.122 77 S HN -0.090 nan 8.310 nan 0.000 0.468 78 P HA -0.098 nan 4.420 nan 0.000 0.216 78 P C 1.415 178.854 177.300 0.230 0.000 1.157 78 P CA 2.061 65.340 63.100 0.299 0.000 0.880 78 P CB -0.309 31.631 31.700 0.400 0.000 0.791 79 T N -2.066 112.641 114.554 0.255 0.000 2.720 79 T HA -0.214 4.137 4.350 0.001 0.000 0.268 79 T C 1.429 176.135 174.700 0.009 0.000 1.037 79 T CA 1.322 63.442 62.100 0.034 0.000 1.144 79 T CB -1.052 67.795 68.868 -0.036 0.000 0.864 79 T HN 0.243 nan 8.240 nan 0.000 0.444 80 W N 1.934 123.207 121.300 -0.046 0.000 2.355 80 W HA -0.100 4.560 4.660 0.001 0.000 0.309 80 W C 2.368 178.904 176.519 0.028 0.000 1.206 80 W CA 1.368 58.709 57.345 -0.007 0.000 1.284 80 W CB -0.147 29.311 29.460 -0.003 0.000 1.145 80 W HN 0.258 nan 8.180 nan 0.000 0.502 81 E N -1.038 119.344 120.200 0.304 0.000 2.058 81 E HA -0.336 4.015 4.350 0.001 0.000 0.194 81 E C 2.097 178.617 176.600 -0.132 0.000 0.997 81 E CA 1.707 58.185 56.400 0.130 0.000 0.801 81 E CB -0.719 29.108 29.700 0.213 0.000 0.746 81 E HN 0.454 nan 8.360 nan 0.000 0.450 82 Y N 0.175 120.279 120.300 -0.326 0.000 2.242 82 Y HA -0.244 4.306 4.550 0.001 0.000 0.291 82 Y C 2.260 177.954 175.900 -0.343 0.000 1.137 82 Y CA 2.317 60.108 58.100 -0.515 0.000 1.181 82 Y CB -0.442 37.282 38.460 -1.226 0.000 0.989 82 Y HN 0.204 nan 8.280 nan 0.000 0.527 83 H N -0.769 118.123 119.070 -0.296 0.000 2.321 83 H HA -0.140 4.417 4.556 0.001 0.000 0.300 83 H C 2.190 177.323 175.328 -0.324 0.000 1.087 83 H CA 2.454 58.420 56.048 -0.137 0.000 1.319 83 H CB -0.491 29.247 29.762 -0.041 0.000 1.379 83 H HN 0.200 nan 8.280 nan 0.000 0.501 84 V N 1.084 120.700 119.914 -0.495 0.000 2.255 84 V HA -0.288 3.832 4.120 0.001 0.000 0.247 84 V C 2.548 178.383 176.094 -0.432 0.000 1.051 84 V CA 2.346 64.322 62.300 -0.541 0.000 1.018 84 V CB -0.592 30.744 31.823 -0.811 0.000 0.641 84 V HN 0.465 nan 8.190 nan 0.000 0.445 85 K N -0.428 119.712 120.400 -0.432 0.000 2.057 85 K HA -0.189 4.131 4.320 0.001 0.000 0.207 85 K C 2.030 178.338 176.600 -0.488 0.000 1.049 85 K CA 2.094 58.150 56.287 -0.385 0.000 0.931 85 K CB -0.175 32.123 32.500 -0.336 0.000 0.714 85 K HN 0.569 nan 8.250 nan 0.000 0.440 86 T N -0.842 113.273 114.554 -0.731 0.000 2.939 86 T HA -0.000 4.350 4.350 0.001 0.000 0.254 86 T C 1.094 175.192 174.700 -1.004 0.000 1.041 86 T CA 0.909 62.438 62.100 -0.951 0.000 1.142 86 T CB -0.112 67.894 68.868 -1.436 0.000 0.874 86 T HN 0.280 nan 8.240 nan 0.000 0.452 87 Y N 0.756 120.638 120.300 -0.696 0.000 2.430 87 Y HA 0.493 5.044 4.550 0.001 0.000 0.254 87 Y C 1.396 177.003 175.900 -0.487 0.000 1.088 87 Y CA -0.081 57.542 58.100 -0.795 0.000 1.267 87 Y CB 0.629 38.170 38.460 -1.532 0.000 1.204 87 Y HN 0.365 nan 8.280 nan 0.000 0.515 88 G N 0.927 109.541 108.800 -0.310 0.000 2.663 88 G HA2 -0.192 3.768 3.960 0.001 0.000 0.686 88 G HA3 -0.192 3.768 3.960 0.001 0.000 0.686 88 G C 0.120 174.983 174.900 -0.061 0.000 1.246 88 G CA -0.255 44.758 45.100 -0.146 0.000 0.795 88 G HN 0.209 nan 8.290 nan 0.000 0.627 89 E N 0.052 120.234 120.200 -0.031 0.000 2.107 89 E HA -0.085 4.266 4.350 0.001 0.000 0.191 89 E C 1.240 177.911 176.600 0.119 0.000 0.982 89 E CA 0.859 57.286 56.400 0.044 0.000 0.809 89 E CB -0.028 29.704 29.700 0.053 0.000 0.756 89 E HN 0.395 nan 8.360 nan 0.000 0.459 90 N N 0.305 119.062 118.700 0.095 0.000 2.623 90 N HA 0.032 4.772 4.740 0.001 0.000 0.263 90 N C -1.100 174.460 175.510 0.084 0.000 1.218 90 N CA 0.241 53.335 53.050 0.073 0.000 0.949 90 N CB -0.291 38.217 38.487 0.035 0.000 1.270 90 N HN 0.046 nan 8.380 nan 0.000 0.507 91 F N 1.173 121.131 119.950 0.013 0.000 2.691 91 F HA 0.221 4.748 4.527 0.001 0.000 0.371 91 F C -0.390 175.445 175.800 0.057 0.000 1.159 91 F CA -1.060 56.930 58.000 -0.016 0.000 1.174 91 F CB 0.555 39.514 39.000 -0.068 0.000 1.419 91 F HN -0.114 nan 8.300 nan 0.000 0.514 92 E N 2.956 123.130 120.200 -0.043 0.000 2.413 92 E HA -0.056 4.295 4.350 0.001 0.000 0.263 92 E C 0.593 177.193 176.600 0.001 0.000 1.015 92 E CA -0.096 56.319 56.400 0.026 0.000 0.916 92 E CB 0.435 30.109 29.700 -0.044 0.000 0.947 92 E HN 0.674 nan 8.360 nan 0.000 0.440 93 Y N 2.390 122.712 120.300 0.037 0.000 2.139 93 Y HA -0.338 4.213 4.550 0.001 0.000 0.282 93 Y C 1.403 177.366 175.900 0.105 0.000 1.179 93 Y CA 2.395 60.576 58.100 0.136 0.000 1.161 93 Y CB -0.000 38.611 38.460 0.252 0.000 0.970 93 Y HN 0.574 nan 8.280 nan 0.000 0.511 94 E N 0.477 120.689 120.200 0.021 0.000 2.171 94 E HA -0.237 4.114 4.350 0.001 0.000 0.197 94 E C 2.021 178.557 176.600 -0.107 0.000 0.997 94 E CA 1.566 57.985 56.400 0.032 0.000 0.810 94 E CB -0.406 29.293 29.700 -0.002 0.000 0.738 94 E HN 0.493 nan 8.360 nan 0.000 0.467 95 K N -0.034 120.176 120.400 -0.316 0.000 2.218 95 K HA -0.146 4.174 4.320 0.001 0.000 0.205 95 K C 1.439 177.835 176.600 -0.340 0.000 1.046 95 K CA 1.053 57.067 56.287 -0.455 0.000 0.933 95 K CB -0.273 31.646 32.500 -0.968 0.000 0.728 95 K HN 0.166 nan 8.250 nan 0.000 0.454 96 F N 0.156 120.001 119.950 -0.175 0.000 2.365 96 F HA -0.106 4.422 4.527 0.001 0.000 0.300 96 F C 2.316 177.952 175.800 -0.273 0.000 1.090 96 F CA 0.350 58.215 58.000 -0.225 0.000 1.408 96 F CB -0.129 38.605 39.000 -0.443 0.000 1.060 96 F HN 0.129 nan 8.300 nan 0.000 0.534 97 A N 0.018 122.756 122.820 -0.137 0.000 1.978 97 A HA -0.207 4.114 4.320 0.001 0.000 0.220 97 A C 1.813 179.351 177.584 -0.077 0.000 1.170 97 A CA 2.052 53.930 52.037 -0.264 0.000 0.636 97 A CB -0.570 18.379 19.000 -0.085 0.000 0.810 97 A HN 0.262 nan 8.150 nan 0.000 0.448 98 D N -0.445 119.940 120.400 -0.025 0.000 2.323 98 D HA 0.038 4.678 4.640 0.001 0.000 0.209 98 D C 1.684 177.994 176.300 0.016 0.000 0.973 98 D CA 0.624 54.619 54.000 -0.009 0.000 0.874 98 D CB -0.011 40.775 40.800 -0.025 0.000 0.930 98 D HN 0.487 nan 8.370 nan 0.000 0.521 99 L N -0.266 120.997 121.223 0.067 0.000 2.416 99 L HA 0.075 4.416 4.340 0.001 0.000 0.216 99 L C 0.887 177.834 176.870 0.129 0.000 1.098 99 L CA -0.148 54.766 54.840 0.124 0.000 0.840 99 L CB -0.036 42.167 42.059 0.240 0.000 0.981 99 L HN -0.118 nan 8.230 nan 0.000 0.462 100 F N 2.510 122.375 119.950 -0.142 0.000 2.685 100 F HA 0.026 4.554 4.527 0.001 0.000 0.349 100 F C 1.468 177.146 175.800 -0.204 0.000 1.294 100 F CA -0.479 57.373 58.000 -0.245 0.000 1.201 100 F CB -0.454 38.270 39.000 -0.460 0.000 1.615 100 F HN -0.032 nan 8.300 nan 0.000 0.674 101 T N 1.186 115.622 114.554 -0.197 0.000 3.086 101 T HA 0.326 4.677 4.350 0.001 0.000 0.250 101 T C 1.458 175.988 174.700 -0.283 0.000 1.074 101 T CA 0.275 62.218 62.100 -0.262 0.000 0.988 101 T CB -0.296 68.519 68.868 -0.089 0.000 0.988 101 T HN 0.959 nan 8.240 nan 0.000 0.530 102 A N 1.384 124.038 122.820 -0.277 0.000 2.774 102 A HA -0.310 4.011 4.320 0.001 0.000 0.290 102 A C 1.398 179.044 177.584 0.103 0.000 1.484 102 A CA 1.682 53.699 52.037 -0.033 0.000 0.863 102 A CB -2.509 16.347 19.000 -0.241 0.000 0.989 102 A HN 0.688 nan 8.150 nan 0.000 0.554 103 E N 0.067 120.306 120.200 0.064 0.000 2.136 103 E HA -0.233 4.118 4.350 0.001 0.000 0.208 103 E C 1.406 178.068 176.600 0.104 0.000 1.035 103 E CA 2.385 58.827 56.400 0.070 0.000 0.838 103 E CB -0.174 29.563 29.700 0.061 0.000 0.748 103 E HN 0.730 nan 8.360 nan 0.000 0.459 104 K N -1.007 119.478 120.400 0.143 0.000 2.446 104 K HA 0.105 4.425 4.320 0.001 0.000 0.203 104 K C -0.940 175.755 176.600 0.158 0.000 1.027 104 K CA -0.368 55.996 56.287 0.128 0.000 1.166 104 K CB -0.034 32.536 32.500 0.117 0.000 0.869 104 K HN 0.174 nan 8.250 nan 0.000 0.504 105 W N 1.614 122.892 121.300 -0.036 0.000 2.238 105 W HA 0.121 4.782 4.660 0.001 0.000 0.321 105 W C -0.479 175.900 176.519 -0.234 0.000 1.293 105 W CA -0.232 57.010 57.345 -0.171 0.000 1.204 105 W CB 0.641 30.032 29.460 -0.115 0.000 1.167 105 W HN 0.003 nan 8.180 nan 0.000 0.553 106 D N 7.954 127.801 120.400 -0.922 0.000 2.336 106 D HA 0.205 4.845 4.640 0.001 0.000 0.248 106 D C -1.441 174.078 176.300 -1.302 0.000 1.326 106 D CA -1.976 51.495 54.000 -0.881 0.000 0.973 106 D CB 1.777 42.317 40.800 -0.433 0.000 1.255 106 D HN 0.112 nan 8.370 nan 0.000 0.558 107 P HA -0.218 nan 4.420 nan 0.000 0.218 107 P C 1.133 178.097 177.300 -0.561 0.000 1.146 107 P CA 1.143 63.481 63.100 -1.271 0.000 0.813 107 P CB 0.604 31.646 31.700 -1.098 0.000 0.778 108 Q N -0.102 119.425 119.800 -0.456 0.000 2.123 108 Q HA -0.122 4.219 4.340 0.001 0.000 0.199 108 Q C 2.296 178.161 176.000 -0.225 0.000 0.966 108 Q CA 1.166 56.809 55.803 -0.267 0.000 0.845 108 Q CB -0.242 28.367 28.738 -0.214 0.000 0.907 108 Q HN 0.466 nan 8.270 nan 0.000 0.439 109 E N -0.402 119.652 120.200 -0.244 0.000 2.153 109 E HA -0.196 4.154 4.350 0.001 0.000 0.194 109 E C 1.526 178.039 176.600 -0.145 0.000 0.988 109 E CA 0.744 57.050 56.400 -0.157 0.000 0.811 109 E CB -0.102 29.530 29.700 -0.114 0.000 0.746 109 E HN 0.409 nan 8.360 nan 0.000 0.466 110 W N 1.293 122.292 121.300 -0.501 0.000 2.354 110 W HA -0.044 4.617 4.660 0.001 0.000 0.315 110 W C 2.694 178.459 176.519 -1.256 0.000 1.206 110 W CA 1.071 57.910 57.345 -0.843 0.000 1.290 110 W CB -1.061 28.063 29.460 -0.560 0.000 1.152 110 W HN 0.071 nan 8.180 nan 0.000 0.489 111 A N -0.071 122.513 122.820 -0.394 0.000 1.883 111 A HA -0.290 4.031 4.320 0.001 0.000 0.217 111 A C 1.765 179.224 177.584 -0.208 0.000 1.186 111 A CA 2.415 54.321 52.037 -0.219 0.000 0.624 111 A CB -1.274 17.692 19.000 -0.057 0.000 0.822 111 A HN 0.325 nan 8.150 nan 0.000 0.444 112 D N -0.718 119.569 120.400 -0.189 0.000 2.133 112 D HA -0.182 4.459 4.640 0.001 0.000 0.195 112 D C 1.770 178.002 176.300 -0.113 0.000 0.997 112 D CA 1.571 55.499 54.000 -0.120 0.000 0.840 112 D CB -0.182 40.554 40.800 -0.106 0.000 0.947 112 D HN 0.293 nan 8.370 nan 0.000 0.452 113 L N -0.446 120.653 121.223 -0.208 0.000 2.027 113 L HA -0.011 4.330 4.340 0.001 0.000 0.206 113 L C 1.972 178.853 176.870 0.018 0.000 1.074 113 L CA 1.639 56.398 54.840 -0.135 0.000 0.745 113 L CB -0.889 41.041 42.059 -0.215 0.000 0.898 113 L HN 0.185 nan 8.230 nan 0.000 0.433 114 F N -0.246 119.695 119.950 -0.015 0.000 2.293 114 F HA -0.148 4.379 4.527 0.001 0.000 0.300 114 F C 2.529 178.306 175.800 -0.039 0.000 1.086 114 F CA 0.902 58.868 58.000 -0.057 0.000 1.375 114 F CB -0.382 38.563 39.000 -0.091 0.000 1.045 114 F HN 0.140 nan 8.300 nan 0.000 0.516 115 K N 1.499 121.985 120.400 0.144 0.000 2.062 115 K HA -0.131 4.189 4.320 0.001 0.000 0.205 115 K C 1.849 178.508 176.600 0.098 0.000 1.051 115 K CA 1.106 57.447 56.287 0.091 0.000 0.941 115 K CB -0.031 32.496 32.500 0.044 0.000 0.719 115 K HN 0.125 nan 8.250 nan 0.000 0.440 116 K N 0.004 120.454 120.400 0.083 0.000 2.283 116 K HA -0.032 4.289 4.320 0.001 0.000 0.202 116 K C 1.770 178.456 176.600 0.144 0.000 1.048 116 K CA 0.945 57.285 56.287 0.088 0.000 0.948 116 K CB 0.055 32.588 32.500 0.056 0.000 0.742 116 K HN 0.197 nan 8.250 nan 0.000 0.458 117 A N 0.117 123.053 122.820 0.193 0.000 2.167 117 A HA 0.119 4.440 4.320 0.001 0.000 0.214 117 A C 1.481 179.324 177.584 0.431 0.000 1.151 117 A CA 1.037 53.244 52.037 0.283 0.000 0.735 117 A CB -0.323 18.867 19.000 0.316 0.000 0.802 117 A HN 0.399 nan 8.150 nan 0.000 0.467 118 G N -2.205 106.803 108.800 0.346 0.000 2.141 118 G HA2 0.108 4.068 3.960 0.001 0.000 0.242 118 G HA3 0.108 4.068 3.960 0.001 0.000 0.242 118 G C 0.402 175.589 174.900 0.479 0.000 0.982 118 G CA 0.318 45.691 45.100 0.455 0.000 0.662 118 G HN 1.539 nan 8.290 nan 0.000 0.527 119 A N -0.328 122.483 122.820 -0.016 0.000 2.351 119 A HA 0.707 5.027 4.320 0.001 0.000 0.257 119 A C 1.214 178.691 177.584 -0.178 0.000 1.087 119 A CA 0.449 52.090 52.037 -0.660 0.000 0.798 119 A CB 0.481 18.872 19.000 -1.016 0.000 1.033 119 A HN 0.136 nan 8.150 nan 0.000 0.488 120 K N -0.125 120.210 120.400 -0.109 0.000 2.358 120 K HA 0.183 4.503 4.320 0.001 0.000 0.200 120 K C -0.893 175.829 176.600 0.204 0.000 1.030 120 K CA 0.532 56.873 56.287 0.090 0.000 1.097 120 K CB 0.143 32.761 32.500 0.196 0.000 0.862 120 K HN 0.790 nan 8.250 nan 0.000 0.534 121 Y N -3.499 116.767 120.300 -0.056 0.000 2.656 121 Y HA 0.631 5.181 4.550 0.001 0.000 0.334 121 Y C -0.961 174.903 175.900 -0.060 0.000 1.179 121 Y CA -1.520 56.576 58.100 -0.008 0.000 1.050 121 Y CB 1.173 39.700 38.460 0.112 0.000 1.308 121 Y HN -0.329 nan 8.280 nan 0.000 0.456 122 V N 3.139 123.122 119.914 0.116 0.000 2.686 122 V HA 0.546 4.666 4.120 0.001 0.000 0.306 122 V C -0.811 175.252 176.094 -0.052 0.000 1.065 122 V CA -0.808 61.478 62.300 -0.024 0.000 0.894 122 V CB 1.929 33.856 31.823 0.174 0.000 1.004 122 V HN 0.724 nan 8.190 nan 0.000 0.424 123 I N 6.412 126.933 120.570 -0.081 0.000 2.517 123 I HA 0.386 4.556 4.170 0.001 0.000 0.280 123 I C -2.678 173.499 176.117 0.100 0.000 1.061 123 I CA -1.534 59.722 61.300 -0.075 0.000 1.091 123 I CB 2.658 40.642 38.000 -0.026 0.000 1.205 123 I HN 0.422 nan 8.210 nan 0.000 0.459 124 P HA 0.187 nan 4.420 nan 0.000 0.284 124 P C -0.291 177.122 177.300 0.189 0.000 1.258 124 P CA -0.268 62.953 63.100 0.202 0.000 0.824 124 P CB 1.155 33.077 31.700 0.370 0.000 1.038 125 T N -1.446 113.135 114.554 0.044 0.000 2.799 125 T HA 0.134 4.484 4.350 0.001 0.000 0.296 125 T C 1.406 176.307 174.700 0.336 0.000 0.947 125 T CA 0.024 62.167 62.100 0.072 0.000 1.141 125 T CB -0.600 68.089 68.868 -0.298 0.000 0.891 125 T HN 0.551 nan 8.240 nan 0.000 0.533 126 T N -0.520 114.310 114.554 0.460 0.000 3.054 126 T HA 0.178 4.529 4.350 0.001 0.000 0.259 126 T C 0.487 175.553 174.700 0.610 0.000 1.092 126 T CA 0.023 62.432 62.100 0.516 0.000 1.121 126 T CB 0.029 69.153 68.868 0.427 0.000 0.912 126 T HN 0.705 nan 8.240 nan 0.000 0.489 127 K N 0.440 121.131 120.400 0.485 0.000 2.589 127 K HA 0.204 4.525 4.320 0.001 0.000 0.253 127 K C -1.667 175.061 176.600 0.213 0.000 0.974 127 K CA -0.651 55.817 56.287 0.302 0.000 0.835 127 K CB 1.530 34.139 32.500 0.181 0.000 1.272 127 K HN 0.299 nan 8.250 nan 0.000 0.444 128 H N 1.731 120.874 119.070 0.122 0.000 2.669 128 H HA 0.228 4.785 4.556 0.001 0.000 0.318 128 H C 0.800 176.018 175.328 -0.182 0.000 1.429 128 H CA -0.134 55.894 56.048 -0.034 0.000 1.460 128 H CB 1.073 30.769 29.762 -0.111 0.000 1.784 128 H HN 0.694 nan 8.280 nan 0.000 0.750 129 H N 0.281 118.983 119.070 -0.615 0.000 2.466 129 H HA -0.154 4.403 4.556 0.001 0.000 0.297 129 H C 1.326 175.987 175.328 -1.112 0.000 1.113 129 H CA 1.502 56.851 56.048 -1.166 0.000 1.273 129 H CB -0.374 28.148 29.762 -2.067 0.000 1.371 129 H HN 0.573 nan 8.280 nan 0.000 0.528 130 D N -0.733 119.501 120.400 -0.277 0.000 2.363 130 D HA 0.021 4.661 4.640 0.001 0.000 0.220 130 D C 1.773 178.346 176.300 0.455 0.000 0.994 130 D CA 0.842 54.999 54.000 0.262 0.000 0.890 130 D CB -0.447 40.720 40.800 0.611 0.000 0.906 130 D HN 0.407 nan 8.370 nan 0.000 0.530 131 G N -0.150 108.843 108.800 0.322 0.000 2.184 131 G HA2 -0.315 3.645 3.960 0.001 0.000 0.264 131 G HA3 -0.315 3.645 3.960 0.001 0.000 0.264 131 G C -0.001 175.221 174.900 0.536 0.000 0.975 131 G CA 0.183 45.546 45.100 0.439 0.000 0.642 131 G HN 0.457 nan 8.290 nan 0.000 0.536 132 F N 2.135 122.274 119.950 0.315 0.000 2.467 132 F HA 0.536 5.064 4.527 0.001 0.000 0.362 132 F C 0.823 176.586 175.800 -0.061 0.000 1.090 132 F CA -0.637 57.236 58.000 -0.212 0.000 1.202 132 F CB 0.489 39.196 39.000 -0.489 0.000 1.113 132 F HN 0.184 nan 8.300 nan 0.000 0.541 133 C N 7.586 126.396 119.300 -0.817 0.000 2.295 133 C HA 0.308 4.768 4.460 0.001 0.000 0.331 133 C C 1.209 175.887 174.990 -0.520 0.000 1.280 133 C CA -1.041 57.671 59.018 -0.510 0.000 1.746 133 C CB 0.597 27.868 27.740 -0.783 0.000 2.328 133 C HN 0.755 nan 8.230 nan 0.000 0.521 134 L N 2.024 123.281 121.223 0.057 0.000 2.645 134 L HA 0.154 4.495 4.340 0.001 0.000 0.234 134 L C 0.008 177.066 176.870 0.313 0.000 1.165 134 L CA 0.473 55.408 54.840 0.160 0.000 0.944 134 L CB -0.977 41.251 42.059 0.280 0.000 1.149 134 L HN 0.887 nan 8.230 nan 0.000 0.446 135 W N -2.338 118.971 121.300 0.015 0.000 3.031 135 W HA 0.636 5.296 4.660 0.001 0.000 0.337 135 W C 0.450 177.002 176.519 0.055 0.000 1.187 135 W CA -1.388 56.015 57.345 0.096 0.000 1.166 135 W CB 0.737 30.343 29.460 0.243 0.000 1.437 135 W HN -0.067 nan 8.180 nan 0.000 0.551 136 G N 2.259 111.195 108.800 0.226 0.000 3.090 136 G HA2 0.238 4.198 3.960 0.001 0.000 0.259 136 G HA3 0.238 4.198 3.960 0.001 0.000 0.259 136 G C 0.144 174.991 174.900 -0.087 0.000 0.797 136 G CA 0.136 45.240 45.100 0.005 0.000 2.032 136 G HN 0.648 nan 8.290 nan 0.000 0.614 137 T N -0.118 114.097 114.554 -0.565 0.000 2.903 137 T HA 0.146 4.496 4.350 0.001 0.000 0.314 137 T C 1.580 176.121 174.700 -0.264 0.000 1.078 137 T CA -0.012 61.819 62.100 -0.449 0.000 1.114 137 T CB 0.448 68.820 68.868 -0.827 0.000 0.987 137 T HN 0.573 nan 8.240 nan 0.000 0.548 138 K N 2.490 122.673 120.400 -0.362 0.000 2.410 138 K HA 0.131 4.451 4.320 0.001 0.000 0.200 138 K C 0.325 176.660 176.600 -0.441 0.000 1.023 138 K CA 0.224 56.253 56.287 -0.430 0.000 1.149 138 K CB 0.185 32.412 32.500 -0.455 0.000 0.859 138 K HN 0.685 nan 8.250 nan 0.000 0.514 139 Y N 0.775 121.146 120.300 0.119 0.000 2.467 139 Y HA 0.187 4.738 4.550 0.001 0.000 0.250 139 Y C 0.390 176.475 175.900 0.309 0.000 1.155 139 Y CA -0.615 57.634 58.100 0.248 0.000 1.249 139 Y CB 1.491 40.151 38.460 0.334 0.000 1.146 139 Y HN 0.020 nan 8.280 nan 0.000 0.524 140 T N -1.006 113.699 114.554 0.251 0.000 2.977 140 T HA 0.135 4.486 4.350 0.001 0.000 0.345 140 T C -0.899 173.836 174.700 0.058 0.000 1.562 140 T CA -0.584 61.624 62.100 0.180 0.000 1.090 140 T CB 1.114 70.156 68.868 0.289 0.000 1.383 140 T HN -0.064 nan 8.240 nan 0.000 0.484 141 D N 1.764 122.209 120.400 0.077 0.000 2.339 141 D HA 0.186 4.826 4.640 0.001 0.000 0.217 141 D C 0.133 176.511 176.300 0.130 0.000 1.050 141 D CA 0.162 54.196 54.000 0.057 0.000 0.856 141 D CB 0.063 40.897 40.800 0.056 0.000 0.922 141 D HN 0.376 nan 8.370 nan 0.000 0.518 142 F N 2.824 122.749 119.950 -0.042 0.000 2.606 142 F HA 0.217 4.745 4.527 0.001 0.000 0.347 142 F C -0.084 175.516 175.800 -0.335 0.000 1.207 142 F CA -0.944 57.052 58.000 -0.006 0.000 1.306 142 F CB -0.905 38.147 39.000 0.087 0.000 1.657 142 F HN -0.161 nan 8.300 nan 0.000 0.606 143 N N -1.513 116.880 118.700 -0.512 0.000 2.525 143 N HA 0.221 4.962 4.740 0.001 0.000 0.270 143 N C 0.353 175.498 175.510 -0.609 0.000 1.321 143 N CA -0.239 52.280 53.050 -0.885 0.000 0.797 143 N CB 0.939 39.089 38.487 -0.563 0.000 1.529 143 N HN -0.078 nan 8.380 nan 0.000 0.491 144 S N -0.710 114.685 115.700 -0.508 0.000 2.469 144 S HA -0.097 4.373 4.470 0.001 0.000 0.238 144 S C 1.290 175.848 174.600 -0.071 0.000 0.998 144 S CA 0.871 59.027 58.200 -0.074 0.000 0.957 144 S CB -0.585 62.585 63.200 -0.050 0.000 0.764 144 S HN 0.372 nan 8.310 nan 0.000 0.514 145 V N 1.654 121.517 119.914 -0.086 0.000 2.407 145 V HA -0.025 4.095 4.120 0.001 0.000 0.245 145 V C 2.660 178.735 176.094 -0.032 0.000 1.041 145 V CA 1.509 63.784 62.300 -0.042 0.000 1.040 145 V CB -0.417 31.390 31.823 -0.027 0.000 0.671 145 V HN 0.410 nan 8.190 nan 0.000 0.455 146 K N -0.366 120.013 120.400 -0.036 0.000 2.186 146 K HA 0.113 4.434 4.320 0.001 0.000 0.202 146 K C 1.210 177.827 176.600 0.028 0.000 1.052 146 K CA 0.614 56.899 56.287 -0.002 0.000 0.965 146 K CB 0.030 32.534 32.500 0.006 0.000 0.746 146 K HN 0.303 nan 8.250 nan 0.000 0.457 147 R N -0.805 119.731 120.500 0.061 0.000 2.981 147 R HA 0.336 4.676 4.340 0.001 0.000 0.228 147 R C 1.359 177.679 176.300 0.033 0.000 1.421 147 R CA -0.033 56.123 56.100 0.094 0.000 1.073 147 R CB -0.638 29.797 30.300 0.224 0.000 1.568 147 R HN 0.179 nan 8.270 nan 0.000 0.514 148 G N 1.833 110.627 108.800 -0.011 0.000 3.181 148 G HA2 -0.342 3.618 3.960 0.001 0.000 0.292 148 G HA3 -0.342 3.618 3.960 0.001 0.000 0.292 148 G C -1.293 173.477 174.900 -0.217 0.000 0.965 148 G CA 1.359 46.385 45.100 -0.123 0.000 0.846 148 G HN 0.476 nan 8.290 nan 0.000 1.096 149 P HA 0.008 nan 4.420 nan 0.000 0.218 149 P C 0.604 177.796 177.300 -0.180 0.000 1.146 149 P CA 1.608 64.479 63.100 -0.381 0.000 0.813 149 P CB 0.004 31.356 31.700 -0.580 0.000 0.778 150 K N -0.820 119.509 120.400 -0.118 0.000 3.257 150 K HA -0.193 4.127 4.320 0.001 0.000 0.270 150 K C 0.090 176.666 176.600 -0.039 0.000 0.984 150 K CA 0.883 57.136 56.287 -0.056 0.000 0.739 150 K CB -1.807 30.669 32.500 -0.040 0.000 1.351 150 K HN 0.449 nan 8.250 nan 0.000 0.463 151 R N 0.307 120.779 120.500 -0.048 0.000 2.634 151 R HA 0.128 4.469 4.340 0.001 0.000 0.263 151 R C -1.647 174.667 176.300 0.023 0.000 1.060 151 R CA -0.692 55.410 56.100 0.003 0.000 0.898 151 R CB 1.149 31.459 30.300 0.017 0.000 1.253 151 R HN 0.004 nan 8.270 nan 0.000 0.461 152 D N 4.984 125.440 120.400 0.093 0.000 2.498 152 D HA 0.107 4.748 4.640 0.001 0.000 0.229 152 D C 1.197 177.595 176.300 0.163 0.000 1.188 152 D CA -0.082 54.009 54.000 0.152 0.000 1.028 152 D CB 0.352 41.277 40.800 0.209 0.000 1.087 152 D HN 0.536 nan 8.370 nan 0.000 0.510 153 L N 2.327 123.604 121.223 0.090 0.000 1.989 153 L HA -0.211 4.129 4.340 0.001 0.000 0.211 153 L C 2.418 179.429 176.870 0.235 0.000 1.071 153 L CA 0.719 55.593 54.840 0.055 0.000 0.749 153 L CB -0.635 41.353 42.059 -0.119 0.000 0.890 153 L HN 0.261 nan 8.230 nan 0.000 0.431 154 V N 0.673 120.713 119.914 0.210 0.000 2.252 154 V HA -0.290 3.831 4.120 0.001 0.000 0.249 154 V C 2.666 178.664 176.094 -0.160 0.000 1.056 154 V CA 2.309 64.682 62.300 0.122 0.000 1.022 154 V CB -1.399 30.435 31.823 0.018 0.000 0.641 154 V HN 0.604 nan 8.190 nan 0.000 0.445 155 G N -0.716 107.963 108.800 -0.202 0.000 2.421 155 G HA2 -0.251 3.709 3.960 0.001 0.000 0.216 155 G HA3 -0.251 3.709 3.960 0.001 0.000 0.216 155 G C 1.248 176.125 174.900 -0.038 0.000 1.171 155 G CA 1.025 46.035 45.100 -0.150 0.000 0.775 155 G HN 0.510 nan 8.290 nan 0.000 0.543 156 D N -0.085 120.379 120.400 0.108 0.000 2.178 156 D HA -0.075 4.566 4.640 0.001 0.000 0.201 156 D C 2.304 178.661 176.300 0.096 0.000 0.980 156 D CA 0.491 54.567 54.000 0.126 0.000 0.842 156 D CB -0.137 40.821 40.800 0.263 0.000 0.948 156 D HN 0.288 nan 8.370 nan 0.000 0.472 157 L N 0.106 121.469 121.223 0.232 0.000 2.270 157 L HA 0.159 4.500 4.340 0.001 0.000 0.210 157 L C 1.954 178.807 176.870 -0.028 0.000 1.104 157 L CA 0.957 55.947 54.840 0.249 0.000 0.804 157 L CB -0.291 42.132 42.059 0.607 0.000 0.937 157 L HN -0.070 nan 8.230 nan 0.000 0.450 158 A N -0.666 121.879 122.820 -0.459 0.000 1.969 158 A HA -0.184 4.137 4.320 0.001 0.000 0.218 158 A C 2.386 179.722 177.584 -0.412 0.000 1.169 158 A CA 1.630 53.011 52.037 -1.095 0.000 0.635 158 A CB -0.409 17.682 19.000 -1.515 0.000 0.810 158 A HN 0.434 nan 8.150 nan 0.000 0.445 159 K N -0.499 119.770 120.400 -0.218 0.000 2.057 159 K HA -0.009 4.312 4.320 0.001 0.000 0.206 159 K C 2.299 178.850 176.600 -0.081 0.000 1.050 159 K CA 0.973 57.194 56.287 -0.111 0.000 0.935 159 K CB -0.236 32.224 32.500 -0.067 0.000 0.715 159 K HN 0.423 nan 8.250 nan 0.000 0.439 160 A N 0.659 123.432 122.820 -0.079 0.000 1.855 160 A HA -0.117 4.203 4.320 0.001 0.000 0.215 160 A C 2.247 179.826 177.584 -0.008 0.000 1.191 160 A CA 1.403 53.400 52.037 -0.066 0.000 0.613 160 A CB -0.744 18.187 19.000 -0.116 0.000 0.829 160 A HN 0.093 nan 8.150 nan 0.000 0.442 161 V N 0.036 119.987 119.914 0.062 0.000 2.282 161 V HA -0.336 3.784 4.120 0.001 0.000 0.249 161 V C 2.693 178.838 176.094 0.084 0.000 1.057 161 V CA 2.545 64.932 62.300 0.145 0.000 1.032 161 V CB -0.828 31.188 31.823 0.321 0.000 0.645 161 V HN 0.537 nan 8.190 nan 0.000 0.447 162 R N -0.528 119.995 120.500 0.037 0.000 2.092 162 R HA -0.134 4.206 4.340 0.001 0.000 0.231 162 R C 2.316 178.615 176.300 -0.001 0.000 1.119 162 R CA 1.418 57.529 56.100 0.017 0.000 0.970 162 R CB -0.241 30.053 30.300 -0.011 0.000 0.864 162 R HN 0.604 nan 8.270 nan 0.000 0.440 163 E N -0.082 120.109 120.200 -0.015 0.000 2.204 163 E HA -0.127 4.224 4.350 0.001 0.000 0.194 163 E C 1.502 178.092 176.600 -0.017 0.000 0.989 163 E CA 0.994 57.380 56.400 -0.023 0.000 0.824 163 E CB 0.071 29.749 29.700 -0.037 0.000 0.756 163 E HN 0.349 nan 8.360 nan 0.000 0.477 164 A N -0.153 122.663 122.820 -0.006 0.000 2.238 164 A HA 0.236 4.556 4.320 0.001 0.000 0.208 164 A C 1.711 179.299 177.584 0.006 0.000 1.177 164 A CA 0.835 52.871 52.037 -0.002 0.000 0.804 164 A CB -0.196 18.808 19.000 0.007 0.000 0.823 164 A HN 0.334 nan 8.150 nan 0.000 0.482 165 G N -1.448 107.355 108.800 0.005 0.000 2.176 165 G HA2 -0.205 3.756 3.960 0.001 0.000 0.253 165 G HA3 -0.205 3.756 3.960 0.001 0.000 0.253 165 G C 0.146 175.048 174.900 0.003 0.000 0.979 165 G CA 0.340 45.439 45.100 -0.002 0.000 0.641 165 G HN 0.426 nan 8.290 nan 0.000 0.530 166 L N 0.188 121.432 121.223 0.034 0.000 2.439 166 L HA 0.615 4.955 4.340 0.001 0.000 0.259 166 L C 1.191 178.087 176.870 0.045 0.000 1.129 166 L CA -1.139 53.731 54.840 0.051 0.000 0.803 166 L CB 0.477 42.601 42.059 0.108 0.000 1.161 166 L HN -0.000 nan 8.230 nan 0.000 0.462 167 R N 0.632 121.136 120.500 0.007 0.000 2.560 167 R HA 0.377 4.717 4.340 0.001 0.000 0.270 167 R C -1.080 175.339 176.300 0.198 0.000 1.074 167 R CA -0.350 55.710 56.100 -0.067 0.000 1.140 167 R CB 1.075 31.076 30.300 -0.498 0.000 1.073 167 R HN 0.371 nan 8.270 nan 0.000 0.527 168 F N -0.014 119.980 119.950 0.074 0.000 2.507 168 F HA 0.515 5.042 4.527 0.001 0.000 0.328 168 F C -0.165 175.778 175.800 0.239 0.000 1.136 168 F CA -0.382 57.718 58.000 0.167 0.000 0.930 168 F CB 1.661 40.742 39.000 0.134 0.000 1.166 168 F HN 0.563 nan 8.300 nan 0.000 0.436 169 G N 3.383 112.001 108.800 -0.303 0.000 2.667 169 G HA2 0.663 4.623 3.960 0.001 0.000 0.310 169 G HA3 0.663 4.623 3.960 0.001 0.000 0.310 169 G C -1.592 173.106 174.900 -0.337 0.000 1.259 169 G CA -0.641 44.412 45.100 -0.078 0.000 1.019 169 G HN 1.078 nan 8.290 nan 0.000 0.496 170 V N -2.357 117.582 119.914 0.043 0.000 2.841 170 V HA 0.737 4.857 4.120 0.001 0.000 0.310 170 V C -1.351 174.944 176.094 0.335 0.000 1.090 170 V CA -1.296 61.071 62.300 0.112 0.000 0.930 170 V CB 1.299 33.202 31.823 0.133 0.000 1.014 170 V HN 0.838 nan 8.190 nan 0.000 0.425 171 Y N 4.437 124.887 120.300 0.250 0.000 2.387 171 Y HA 0.787 5.338 4.550 0.001 0.000 0.336 171 Y C -1.401 174.707 175.900 0.348 0.000 1.067 171 Y CA -0.900 57.409 58.100 0.347 0.000 1.114 171 Y CB 1.954 40.545 38.460 0.219 0.000 1.208 171 Y HN 0.881 nan 8.280 nan 0.000 0.458 172 Y N 4.011 124.080 120.300 -0.385 0.000 2.401 172 Y HA 0.281 4.832 4.550 0.001 0.000 0.330 172 Y C -0.879 174.809 175.900 -0.353 0.000 1.071 172 Y CA -0.937 57.081 58.100 -0.135 0.000 1.049 172 Y CB 1.844 40.341 38.460 0.061 0.000 1.239 172 Y HN 0.597 nan 8.280 nan 0.000 0.437 173 S N 4.192 119.527 115.700 -0.609 0.000 3.072 173 S HA 0.239 4.709 4.470 0.001 0.000 0.306 173 S C 1.113 175.504 174.600 -0.348 0.000 1.207 173 S CA 0.480 58.449 58.200 -0.386 0.000 1.008 173 S CB -0.551 62.512 63.200 -0.229 0.000 1.390 173 S HN 1.045 nan 8.310 nan 0.000 0.523 174 G N 3.438 112.189 108.800 -0.083 0.000 2.394 174 G HA2 -0.017 3.943 3.960 0.001 0.000 0.215 174 G HA3 -0.017 3.943 3.960 0.001 0.000 0.215 174 G C 1.334 176.179 174.900 -0.093 0.000 1.165 174 G CA 0.509 45.610 45.100 0.003 0.000 0.784 174 G HN 0.740 nan 8.290 nan 0.000 0.535 175 G N -0.207 108.543 108.800 -0.083 0.000 2.443 175 G HA2 0.211 4.171 3.960 0.001 0.000 0.219 175 G HA3 0.211 4.171 3.960 0.001 0.000 0.219 175 G C 0.550 175.327 174.900 -0.205 0.000 1.131 175 G CA 0.229 45.264 45.100 -0.107 0.000 0.775 175 G HN 0.374 nan 8.290 nan 0.000 0.547 176 L N -0.349 120.704 121.223 -0.283 0.000 2.388 176 L HA 0.543 4.883 4.340 0.001 0.000 0.264 176 L C -1.589 175.018 176.870 -0.439 0.000 0.998 176 L CA -0.866 53.713 54.840 -0.436 0.000 0.817 176 L CB 2.778 44.415 42.059 -0.702 0.000 1.338 176 L HN -0.155 nan 8.230 nan 0.000 0.414 177 D N 1.286 121.412 120.400 -0.457 0.000 2.351 177 D HA 0.124 4.764 4.640 0.001 0.000 0.235 177 D C 0.057 176.362 176.300 0.008 0.000 1.331 177 D CA -0.324 53.542 54.000 -0.224 0.000 0.959 177 D CB 0.858 41.637 40.800 -0.036 0.000 1.432 177 D HN 0.395 nan 8.370 nan 0.000 0.544 178 W N 2.143 123.463 121.300 0.033 0.000 2.632 178 W HA 0.019 4.680 4.660 0.001 0.000 0.248 178 W C 1.680 178.222 176.519 0.037 0.000 1.259 178 W CA -0.126 57.215 57.345 -0.006 0.000 1.288 178 W CB -0.385 29.038 29.460 -0.061 0.000 1.136 178 W HN 0.323 nan 8.180 nan 0.000 0.640 179 R N -0.431 120.244 120.500 0.291 0.000 2.235 179 R HA -0.049 4.291 4.340 0.001 0.000 0.213 179 R C 0.827 177.068 176.300 -0.098 0.000 1.059 179 R CA 0.702 56.844 56.100 0.071 0.000 0.997 179 R CB -0.738 29.586 30.300 0.040 0.000 0.884 179 R HN 0.194 nan 8.270 nan 0.000 0.462 180 F N -0.418 119.514 119.950 -0.030 0.000 2.654 180 F HA 0.151 4.678 4.527 0.001 0.000 0.303 180 F C 0.743 176.505 175.800 -0.064 0.000 1.099 180 F CA -0.208 57.748 58.000 -0.074 0.000 1.270 180 F CB 0.481 39.381 39.000 -0.166 0.000 1.024 180 F HN -0.208 nan 8.300 nan 0.000 0.548 181 T N -4.426 110.208 114.554 0.134 0.000 2.865 181 T HA 0.494 4.845 4.350 0.001 0.000 0.294 181 T C 0.611 175.321 174.700 0.017 0.000 1.119 181 T CA 0.082 62.219 62.100 0.062 0.000 1.007 181 T CB 2.059 70.961 68.868 0.056 0.000 1.225 181 T HN -0.019 nan 8.240 nan 0.000 0.515 182 T N -2.978 111.561 114.554 -0.024 0.000 3.028 182 T HA 0.300 4.651 4.350 0.001 0.000 0.250 182 T C 0.380 175.024 174.700 -0.094 0.000 0.979 182 T CA -0.009 62.061 62.100 -0.050 0.000 1.004 182 T CB -0.107 68.743 68.868 -0.031 0.000 1.120 182 T HN 0.561 nan 8.240 nan 0.000 0.482 183 E N 4.235 124.380 120.200 -0.093 0.000 2.354 183 E HA 0.411 4.762 4.350 0.001 0.000 0.269 183 E C -2.366 174.106 176.600 -0.212 0.000 1.036 183 E CA -2.223 54.106 56.400 -0.118 0.000 0.876 183 E CB 0.859 30.515 29.700 -0.073 0.000 1.009 183 E HN 0.328 nan 8.360 nan 0.000 0.416 184 P HA 0.226 nan 4.420 nan 0.000 0.281 184 P C -0.512 176.584 177.300 -0.339 0.000 1.264 184 P CA -0.533 62.355 63.100 -0.353 0.000 0.824 184 P CB 0.854 32.364 31.700 -0.317 0.000 1.092 185 I N 2.819 123.149 120.570 -0.400 0.000 2.379 185 I HA 0.164 4.334 4.170 0.001 0.000 0.290 185 I C 1.764 177.483 176.117 -0.663 0.000 1.063 185 I CA 0.216 61.208 61.300 -0.514 0.000 1.351 185 I CB 0.205 37.868 38.000 -0.561 0.000 1.410 185 I HN 0.441 nan 8.210 nan 0.000 0.505 186 R N 4.320 124.478 120.500 -0.569 0.000 2.250 186 R HA 0.184 4.524 4.340 0.001 0.000 0.194 186 R C -0.544 175.172 176.300 -0.972 0.000 0.927 186 R CA 0.448 56.059 56.100 -0.815 0.000 1.052 186 R CB 0.595 30.546 30.300 -0.582 0.000 1.055 186 R HN 0.457 nan 8.270 nan 0.000 0.537 187 Y N -1.278 118.911 120.300 -0.186 0.000 2.581 187 Y HA 0.279 4.830 4.550 0.001 0.000 0.345 187 Y C -1.913 173.963 175.900 -0.040 0.000 1.036 187 Y CA -2.731 55.401 58.100 0.053 0.000 1.042 187 Y CB 1.630 40.149 38.460 0.099 0.000 1.289 187 Y HN -0.199 nan 8.280 nan 0.000 0.471 188 P HA -0.126 nan 4.420 nan 0.000 0.218 188 P C 0.648 178.010 177.300 0.103 0.000 1.149 188 P CA 1.532 64.762 63.100 0.216 0.000 0.817 188 P CB 0.426 32.256 31.700 0.217 0.000 0.785 189 E N -0.200 120.081 120.200 0.136 0.000 2.118 189 E HA -0.186 4.165 4.350 0.001 0.000 0.195 189 E C 1.668 178.310 176.600 0.070 0.000 0.992 189 E CA 1.170 57.638 56.400 0.112 0.000 0.804 189 E CB -1.231 28.545 29.700 0.127 0.000 0.741 189 E HN 0.274 nan 8.360 nan 0.000 0.458 190 D N 0.180 120.567 120.400 -0.020 0.000 2.190 190 D HA -0.168 4.473 4.640 0.001 0.000 0.200 190 D C 1.762 177.782 176.300 -0.466 0.000 0.992 190 D CA 0.690 54.467 54.000 -0.373 0.000 0.854 190 D CB -0.190 40.413 40.800 -0.329 0.000 0.936 190 D HN 0.219 nan 8.370 nan 0.000 0.462 191 L N 0.856 121.948 121.223 -0.218 0.000 2.261 191 L HA -0.161 4.180 4.340 0.001 0.000 0.216 191 L C 2.313 179.127 176.870 -0.093 0.000 1.114 191 L CA 1.167 55.923 54.840 -0.140 0.000 0.777 191 L CB -0.428 41.607 42.059 -0.040 0.000 0.910 191 L HN 0.090 nan 8.230 nan 0.000 0.440 192 S N -0.855 114.825 115.700 -0.034 0.000 2.489 192 S HA -0.143 4.327 4.470 0.001 0.000 0.228 192 S C 1.419 176.093 174.600 0.122 0.000 0.995 192 S CA 0.725 58.959 58.200 0.057 0.000 0.934 192 S CB -0.199 63.068 63.200 0.113 0.000 0.771 192 S HN 0.693 nan 8.310 nan 0.000 0.522 193 Y N -1.088 119.200 120.300 -0.020 0.000 2.437 193 Y HA 0.553 5.104 4.550 0.001 0.000 0.266 193 Y C 0.380 176.260 175.900 -0.034 0.000 1.077 193 Y CA -1.048 57.037 58.100 -0.025 0.000 1.235 193 Y CB 0.259 38.708 38.460 -0.018 0.000 1.303 193 Y HN 0.093 nan 8.280 nan 0.000 0.536 194 I N 4.767 125.056 120.570 -0.469 0.000 2.227 194 I HA 0.306 4.476 4.170 0.001 0.000 0.297 194 I C -0.441 175.572 176.117 -0.173 0.000 1.173 194 I CA 0.065 61.178 61.300 -0.312 0.000 1.356 194 I CB -0.276 37.463 38.000 -0.435 0.000 1.485 194 I HN 0.201 nan 8.210 nan 0.000 0.604 195 R N 4.368 124.796 120.500 -0.121 0.000 2.764 195 R HA 0.379 4.720 4.340 0.001 0.000 0.270 195 R C -2.103 174.085 176.300 -0.186 0.000 1.014 195 R CA -1.698 54.303 56.100 -0.165 0.000 0.904 195 R CB 0.736 30.943 30.300 -0.155 0.000 1.236 195 R HN -0.054 nan 8.270 nan 0.000 0.466 196 P HA -0.169 nan 4.420 nan 0.000 0.216 196 P C -0.023 177.179 177.300 -0.163 0.000 1.157 196 P CA 1.398 64.257 63.100 -0.402 0.000 0.880 196 P CB 0.259 31.195 31.700 -1.273 0.000 0.791 197 N N -3.814 114.795 118.700 -0.153 0.000 2.946 197 N HA -0.133 4.607 4.740 0.001 0.000 0.223 197 N C 0.113 175.567 175.510 -0.093 0.000 0.850 197 N CA 1.904 54.901 53.050 -0.088 0.000 1.057 197 N CB -2.208 36.251 38.487 -0.047 0.000 1.020 197 N HN 0.385 nan 8.380 nan 0.000 0.616 198 T N -2.982 111.557 114.554 -0.026 0.000 2.874 198 T HA 0.441 4.791 4.350 0.001 0.000 0.281 198 T C 1.286 175.981 174.700 -0.007 0.000 0.994 198 T CA -0.418 61.690 62.100 0.013 0.000 1.015 198 T CB 0.846 69.798 68.868 0.140 0.000 1.028 198 T HN 0.111 nan 8.240 nan 0.000 0.523 199 Y N 0.022 120.362 120.300 0.067 0.000 2.200 199 Y HA -0.033 4.517 4.550 0.001 0.000 0.290 199 Y C 2.853 178.781 175.900 0.046 0.000 1.137 199 Y CA 1.616 59.742 58.100 0.044 0.000 1.163 199 Y CB -0.178 38.303 38.460 0.035 0.000 0.988 199 Y HN 0.884 nan 8.280 nan 0.000 0.518 200 E N -0.231 120.115 120.200 0.242 0.000 2.086 200 E HA -0.346 4.004 4.350 0.001 0.000 0.200 200 E C 1.989 178.679 176.600 0.150 0.000 1.012 200 E CA 1.812 58.329 56.400 0.195 0.000 0.812 200 E CB -0.478 29.357 29.700 0.225 0.000 0.743 200 E HN 0.588 nan 8.360 nan 0.000 0.453 201 Y N 0.596 120.895 120.300 -0.002 0.000 2.200 201 Y HA -0.098 4.452 4.550 0.001 0.000 0.290 201 Y C 2.153 177.971 175.900 -0.137 0.000 1.137 201 Y CA 1.547 59.513 58.100 -0.224 0.000 1.163 201 Y CB -0.640 37.513 38.460 -0.511 0.000 0.988 201 Y HN 0.156 nan 8.280 nan 0.000 0.518 202 A N 0.047 122.714 122.820 -0.254 0.000 1.940 202 A HA -0.195 4.126 4.320 0.001 0.000 0.219 202 A C 1.942 179.445 177.584 -0.134 0.000 1.176 202 A CA 2.056 53.935 52.037 -0.263 0.000 0.631 202 A CB -0.761 18.199 19.000 -0.067 0.000 0.814 202 A HN 0.523 nan 8.150 nan 0.000 0.446 203 D N -1.720 118.665 120.400 -0.025 0.000 2.097 203 D HA -0.131 4.509 4.640 0.001 0.000 0.197 203 D C 1.707 178.031 176.300 0.040 0.000 0.984 203 D CA 1.458 55.492 54.000 0.057 0.000 0.826 203 D CB -0.563 40.278 40.800 0.068 0.000 0.973 203 D HN 0.547 nan 8.370 nan 0.000 0.460 204 Y N 1.987 122.185 120.300 -0.170 0.000 2.114 204 Y HA -0.280 4.271 4.550 0.001 0.000 0.282 204 Y C 2.277 178.073 175.900 -0.173 0.000 1.165 204 Y CA 1.866 59.865 58.100 -0.168 0.000 1.148 204 Y CB -0.592 37.811 38.460 -0.095 0.000 0.972 204 Y HN -0.043 nan 8.280 nan 0.000 0.504 205 A N -0.648 121.927 122.820 -0.407 0.000 1.902 205 A HA -0.255 4.065 4.320 0.001 0.000 0.217 205 A C 2.203 179.798 177.584 0.017 0.000 1.181 205 A CA 1.779 53.594 52.037 -0.371 0.000 0.623 205 A CB -1.644 16.823 19.000 -0.888 0.000 0.818 205 A HN 0.722 nan 8.150 nan 0.000 0.443 206 Y N 1.001 121.338 120.300 0.061 0.000 2.114 206 Y HA -0.203 4.348 4.550 0.001 0.000 0.284 206 Y C 2.247 178.123 175.900 -0.041 0.000 1.143 206 Y CA 2.315 60.520 58.100 0.175 0.000 1.135 206 Y CB -0.226 38.307 38.460 0.122 0.000 0.980 206 Y HN 0.259 nan 8.280 nan 0.000 0.499 207 K N -0.113 120.178 120.400 -0.182 0.000 2.097 207 K HA -0.215 4.106 4.320 0.001 0.000 0.206 207 K C 2.111 178.548 176.600 -0.271 0.000 1.049 207 K CA 1.784 57.832 56.287 -0.398 0.000 0.933 207 K CB -0.303 31.726 32.500 -0.784 0.000 0.717 207 K HN 0.532 nan 8.250 nan 0.000 0.442 208 Q N 0.521 120.184 119.800 -0.229 0.000 2.079 208 Q HA -0.098 4.242 4.340 0.001 0.000 0.200 208 Q C 2.243 178.168 176.000 -0.125 0.000 0.974 208 Q CA 1.145 56.957 55.803 0.014 0.000 0.840 208 Q CB 0.029 28.767 28.738 -0.001 0.000 0.898 208 Q HN 0.115 nan 8.270 nan 0.000 0.430 209 V N 0.655 120.379 119.914 -0.318 0.000 2.453 209 V HA -0.232 3.889 4.120 0.001 0.000 0.247 209 V C 2.242 178.205 176.094 -0.219 0.000 1.048 209 V CA 1.113 63.235 62.300 -0.296 0.000 1.049 209 V CB -0.368 31.342 31.823 -0.188 0.000 0.672 209 V HN 0.404 nan 8.190 nan 0.000 0.457 210 M N -0.240 119.184 119.600 -0.293 0.000 2.149 210 M HA -0.207 4.273 4.480 0.001 0.000 0.261 210 M C 2.170 178.420 176.300 -0.083 0.000 1.064 210 M CA 1.722 56.856 55.300 -0.275 0.000 1.102 210 M CB -1.083 31.204 32.600 -0.520 0.000 1.369 210 M HN 0.515 nan 8.290 nan 0.000 0.408 211 E N 0.246 120.436 120.200 -0.017 0.000 2.106 211 E HA -0.139 4.211 4.350 0.001 0.000 0.192 211 E C 2.112 178.671 176.600 -0.067 0.000 0.984 211 E CA 0.747 57.192 56.400 0.076 0.000 0.806 211 E CB 0.090 29.993 29.700 0.338 0.000 0.750 211 E HN 0.468 nan 8.360 nan 0.000 0.458 212 L N 0.227 121.363 121.223 -0.145 0.000 2.056 212 L HA -0.144 4.197 4.340 0.001 0.000 0.207 212 L C 2.535 179.396 176.870 -0.016 0.000 1.078 212 L CA 0.550 55.300 54.840 -0.149 0.000 0.749 212 L CB -0.381 41.546 42.059 -0.220 0.000 0.901 212 L HN 0.078 nan 8.230 nan 0.000 0.433 213 V N 0.075 119.984 119.914 -0.009 0.000 2.287 213 V HA -0.307 3.813 4.120 0.001 0.000 0.248 213 V C 2.001 178.151 176.094 0.092 0.000 1.053 213 V CA 2.039 64.393 62.300 0.091 0.000 1.027 213 V CB -0.500 31.413 31.823 0.151 0.000 0.646 213 V HN 0.457 nan 8.190 nan 0.000 0.447 214 D N -0.543 119.888 120.400 0.052 0.000 2.277 214 D HA -0.002 4.638 4.640 0.001 0.000 0.208 214 D C 2.014 178.237 176.300 -0.128 0.000 0.962 214 D CA 0.843 54.854 54.000 0.019 0.000 0.865 214 D CB 0.098 40.937 40.800 0.064 0.000 0.939 214 D HN 0.366 nan 8.370 nan 0.000 0.510 215 L N -1.166 119.857 121.223 -0.334 0.000 2.253 215 L HA -0.001 4.339 4.340 0.001 0.000 0.205 215 L C 1.290 177.707 176.870 -0.755 0.000 1.078 215 L CA 0.696 55.119 54.840 -0.696 0.000 0.805 215 L CB 0.024 41.312 42.059 -1.285 0.000 0.963 215 L HN 0.029 nan 8.230 nan 0.000 0.459 216 Y N -2.222 118.091 120.300 0.021 0.000 2.471 216 Y HA 0.287 4.838 4.550 0.001 0.000 0.249 216 Y C 0.456 176.409 175.900 0.088 0.000 1.116 216 Y CA -1.039 57.087 58.100 0.043 0.000 1.240 216 Y CB 0.529 39.038 38.460 0.081 0.000 1.251 216 Y HN -0.183 nan 8.280 nan 0.000 0.527 217 L N 2.416 123.753 121.223 0.189 0.000 4.035 217 L HA -0.201 4.139 4.340 0.001 0.000 0.490 217 L C -2.726 174.322 176.870 0.297 0.000 1.163 217 L CA -0.609 54.352 54.840 0.201 0.000 0.680 217 L CB -1.074 41.000 42.059 0.025 0.000 1.409 217 L HN -0.022 nan 8.230 nan 0.000 0.786 218 P HA 0.086 nan 4.420 nan 0.000 0.270 218 P C 0.442 178.120 177.300 0.631 0.000 1.223 218 P CA -0.050 63.351 63.100 0.502 0.000 0.785 218 P CB 0.492 32.430 31.700 0.398 0.000 0.923 219 D N -0.429 120.310 120.400 0.566 0.000 2.323 219 D HA 0.040 4.681 4.640 0.001 0.000 0.209 219 D C 0.087 176.802 176.300 0.692 0.000 0.973 219 D CA 1.091 55.482 54.000 0.652 0.000 0.874 219 D CB 0.348 41.370 40.800 0.369 0.000 0.930 219 D HN 0.079 nan 8.370 nan 0.000 0.521 220 V N 1.516 121.764 119.914 0.557 0.000 2.733 220 V HA 0.246 4.367 4.120 0.001 0.000 0.306 220 V C -0.381 175.947 176.094 0.390 0.000 1.084 220 V CA -0.690 61.911 62.300 0.501 0.000 0.905 220 V CB 2.857 34.999 31.823 0.532 0.000 1.010 220 V HN -0.084 nan 8.190 nan 0.000 0.424 221 L N 3.747 125.156 121.223 0.310 0.000 2.287 221 L HA 0.377 4.717 4.340 0.001 0.000 0.280 221 L C -0.934 176.200 176.870 0.439 0.000 1.055 221 L CA -0.016 54.983 54.840 0.266 0.000 0.863 221 L CB 0.765 42.861 42.059 0.061 0.000 1.245 221 L HN 0.741 nan 8.230 nan 0.000 0.432 222 W N 4.806 126.238 121.300 0.220 0.000 2.292 222 W HA 0.231 4.891 4.660 0.001 0.000 0.352 222 W C 0.468 176.919 176.519 -0.113 0.000 0.962 222 W CA -0.288 57.154 57.345 0.162 0.000 1.496 222 W CB 0.811 30.440 29.460 0.281 0.000 1.381 222 W HN 0.431 nan 8.180 nan 0.000 0.363 223 N N 3.000 121.493 118.700 -0.344 0.000 2.515 223 N HA 0.157 4.897 4.740 0.001 0.000 0.279 223 N C -1.168 174.071 175.510 -0.452 0.000 1.164 223 N CA 0.164 52.840 53.050 -0.624 0.000 0.982 223 N CB 1.007 38.504 38.487 -1.650 0.000 1.170 223 N HN 0.233 nan 8.380 nan 0.000 0.474 224 D N 1.931 122.144 120.400 -0.312 0.000 2.575 224 D HA 0.363 5.004 4.640 0.001 0.000 0.236 224 D C -0.188 176.096 176.300 -0.028 0.000 1.075 224 D CA -0.085 53.874 54.000 -0.068 0.000 0.860 224 D CB 0.841 41.748 40.800 0.179 0.000 1.475 224 D HN 0.536 nan 8.370 nan 0.000 0.474 225 M N 1.089 120.710 119.600 0.035 0.000 2.879 225 M HA -0.120 4.361 4.480 0.001 0.000 0.210 225 M C 0.523 176.820 176.300 -0.005 0.000 0.550 225 M CA 1.046 56.361 55.300 0.026 0.000 0.732 225 M CB -2.345 30.244 32.600 -0.018 0.000 2.662 225 M HN 0.842 nan 8.290 nan 0.000 0.516 226 G N -0.231 108.560 108.800 -0.014 0.000 2.846 226 G HA2 -0.208 3.752 3.960 0.001 0.000 0.660 226 G HA3 -0.208 3.752 3.960 0.001 0.000 0.660 226 G C -0.667 174.326 174.900 0.155 0.000 1.464 226 G CA -0.107 45.027 45.100 0.055 0.000 0.891 226 G HN 0.668 nan 8.290 nan 0.000 0.552 227 W N 1.915 123.238 121.300 0.037 0.000 2.496 227 W HA 0.529 5.190 4.660 0.001 0.000 0.327 227 W C -1.751 174.823 176.519 0.092 0.000 1.086 227 W CA -1.798 55.608 57.345 0.102 0.000 1.222 227 W CB 1.860 31.453 29.460 0.221 0.000 1.304 227 W HN 0.594 nan 8.180 nan 0.000 0.547 228 P HA -0.152 nan 4.420 nan 0.000 0.263 228 P C 0.328 177.633 177.300 0.008 0.000 1.175 228 P CA 0.827 63.841 63.100 -0.143 0.000 0.761 228 P CB 0.830 32.398 31.700 -0.219 0.000 0.794 229 E N 3.132 123.344 120.200 0.020 0.000 2.118 229 E HA -0.206 4.144 4.350 0.001 0.000 0.195 229 E C 1.476 178.110 176.600 0.057 0.000 0.992 229 E CA 1.668 58.101 56.400 0.056 0.000 0.804 229 E CB -0.263 29.448 29.700 0.018 0.000 0.741 229 E HN 0.400 nan 8.360 nan 0.000 0.458 230 K N -1.437 118.952 120.400 -0.018 0.000 2.442 230 K HA 0.002 4.323 4.320 0.001 0.000 0.198 230 K C 1.602 178.257 176.600 0.091 0.000 1.042 230 K CA 0.892 57.167 56.287 -0.020 0.000 0.958 230 K CB 0.146 32.506 32.500 -0.233 0.000 0.766 230 K HN 0.187 nan 8.250 nan 0.000 0.474 231 G N 0.276 109.168 108.800 0.153 0.000 3.044 231 G HA2 -0.040 3.921 3.960 0.001 0.000 0.223 231 G HA3 -0.040 3.921 3.960 0.001 0.000 0.223 231 G C 0.895 176.072 174.900 0.461 0.000 1.123 231 G CA -0.267 45.024 45.100 0.319 0.000 0.765 231 G HN 0.074 nan 8.290 nan 0.000 0.546 232 K N 0.624 121.268 120.400 0.406 0.000 2.089 232 K HA -0.130 4.190 4.320 0.001 0.000 0.210 232 K C 2.058 178.755 176.600 0.162 0.000 1.048 232 K CA 1.263 57.722 56.287 0.288 0.000 0.926 232 K CB 0.055 32.688 32.500 0.222 0.000 0.714 232 K HN 0.109 nan 8.250 nan 0.000 0.448 233 E N 0.867 121.144 120.200 0.130 0.000 2.338 233 E HA -0.143 4.208 4.350 0.001 0.000 0.197 233 E C 1.298 177.819 176.600 -0.132 0.000 1.007 233 E CA 0.899 57.319 56.400 0.033 0.000 0.849 233 E CB -0.091 29.633 29.700 0.041 0.000 0.774 233 E HN 0.300 nan 8.360 nan 0.000 0.506 234 D N 0.387 120.757 120.400 -0.050 0.000 2.219 234 D HA -0.095 4.546 4.640 0.001 0.000 0.205 234 D C 2.006 178.159 176.300 -0.244 0.000 0.970 234 D CA 0.403 54.354 54.000 -0.082 0.000 0.851 234 D CB -0.175 40.600 40.800 -0.041 0.000 0.943 234 D HN 0.223 nan 8.370 nan 0.000 0.488 235 L N 0.440 121.402 121.223 -0.435 0.000 2.191 235 L HA -0.133 4.208 4.340 0.001 0.000 0.212 235 L C 2.184 178.494 176.870 -0.935 0.000 1.103 235 L CA 0.956 55.252 54.840 -0.907 0.000 0.769 235 L CB -0.325 41.015 42.059 -1.197 0.000 0.908 235 L HN -0.006 nan 8.230 nan 0.000 0.438 236 K N -0.317 119.546 120.400 -0.894 0.000 2.057 236 K HA -0.172 4.148 4.320 0.001 0.000 0.207 236 K C 2.042 178.183 176.600 -0.765 0.000 1.049 236 K CA 1.622 57.225 56.287 -1.140 0.000 0.931 236 K CB -0.247 31.362 32.500 -1.484 0.000 0.714 236 K HN 0.266 nan 8.250 nan 0.000 0.440 237 Y N 0.808 120.932 120.300 -0.294 0.000 2.220 237 Y HA -0.133 4.418 4.550 0.001 0.000 0.291 237 Y C 2.305 178.172 175.900 -0.055 0.000 1.129 237 Y CA 0.544 58.564 58.100 -0.133 0.000 1.161 237 Y CB -0.189 38.220 38.460 -0.085 0.000 0.997 237 Y HN -0.004 nan 8.280 nan 0.000 0.522 238 L N -0.783 120.434 121.223 -0.010 0.000 2.056 238 L HA -0.200 4.140 4.340 0.001 0.000 0.207 238 L C 2.117 179.014 176.870 0.044 0.000 1.078 238 L CA 1.405 56.233 54.840 -0.019 0.000 0.749 238 L CB -0.391 41.567 42.059 -0.169 0.000 0.901 238 L HN 0.246 nan 8.230 nan 0.000 0.433 239 F N -0.331 119.403 119.950 -0.361 0.000 2.134 239 F HA -0.247 4.280 4.527 0.001 0.000 0.299 239 F C 2.653 178.178 175.800 -0.459 0.000 1.097 239 F CA 0.399 58.041 58.000 -0.597 0.000 1.264 239 F CB -0.354 38.283 39.000 -0.605 0.000 1.001 239 F HN 0.257 nan 8.300 nan 0.000 0.479 240 A N -0.143 122.675 122.820 -0.005 0.000 1.877 240 A HA -0.292 4.029 4.320 0.001 0.000 0.216 240 A C 1.886 179.584 177.584 0.191 0.000 1.186 240 A CA 1.568 53.670 52.037 0.108 0.000 0.620 240 A CB -1.513 17.551 19.000 0.107 0.000 0.822 240 A HN 0.515 nan 8.150 nan 0.000 0.443 241 Y N -1.124 119.220 120.300 0.075 0.000 2.114 241 Y HA -0.325 4.225 4.550 0.001 0.000 0.282 241 Y C 2.264 178.245 175.900 0.136 0.000 1.165 241 Y CA 2.271 60.431 58.100 0.100 0.000 1.148 241 Y CB -0.605 37.906 38.460 0.084 0.000 0.972 241 Y HN 0.480 nan 8.280 nan 0.000 0.504 242 Y N -1.194 119.152 120.300 0.076 0.000 2.163 242 Y HA -0.298 4.253 4.550 0.001 0.000 0.288 242 Y C 1.938 177.866 175.900 0.046 0.000 1.136 242 Y CA 1.684 59.776 58.100 -0.013 0.000 1.147 242 Y CB -0.681 37.711 38.460 -0.113 0.000 0.987 242 Y HN 0.111 nan 8.280 nan 0.000 0.509 243 Y N 0.814 120.989 120.300 -0.207 0.000 2.293 243 Y HA -0.201 4.349 4.550 0.001 0.000 0.291 243 Y C 2.162 178.061 175.900 -0.002 0.000 1.137 243 Y CA 1.020 58.915 58.100 -0.342 0.000 1.202 243 Y CB -0.930 37.146 38.460 -0.641 0.000 0.990 243 Y HN 0.298 nan 8.280 nan 0.000 0.537 244 N N 0.016 118.854 118.700 0.230 0.000 2.396 244 N HA -0.087 4.653 4.740 0.001 0.000 0.180 244 N C 1.472 177.012 175.510 0.050 0.000 1.028 244 N CA 0.914 54.066 53.050 0.170 0.000 0.893 244 N CB -0.075 38.490 38.487 0.131 0.000 0.967 244 N HN 0.393 nan 8.380 nan 0.000 0.440 245 K N -0.944 119.447 120.400 -0.015 0.000 2.284 245 K HA 0.020 4.340 4.320 0.001 0.000 0.198 245 K C -0.016 176.627 176.600 0.072 0.000 1.048 245 K CA 0.440 56.706 56.287 -0.034 0.000 0.987 245 K CB 0.329 32.758 32.500 -0.119 0.000 0.800 245 K HN 0.072 nan 8.250 nan 0.000 0.486 246 H N -0.280 118.728 119.070 -0.103 0.000 2.750 246 H HA 0.209 4.766 4.556 0.001 0.000 0.261 246 H C -2.649 172.632 175.328 -0.079 0.000 1.387 246 H CA -2.339 53.649 56.048 -0.100 0.000 1.557 246 H CB 0.976 30.649 29.762 -0.147 0.000 1.756 246 H HN -0.145 nan 8.280 nan 0.000 0.580 247 P HA -0.149 nan 4.420 nan 0.000 0.217 247 P C 0.545 177.825 177.300 -0.033 0.000 1.148 247 P CA 1.387 64.525 63.100 0.065 0.000 0.828 247 P CB 0.386 32.167 31.700 0.136 0.000 0.783 248 E N -0.591 119.507 120.200 -0.171 0.000 2.494 248 E HA 0.136 4.486 4.350 0.001 0.000 0.193 248 E C 1.299 177.802 176.600 -0.161 0.000 1.074 248 E CA -0.307 56.053 56.400 -0.068 0.000 0.867 248 E CB -0.268 29.515 29.700 0.139 0.000 0.924 248 E HN 0.212 nan 8.360 nan 0.000 0.502 249 G N 1.239 109.678 108.800 -0.602 0.000 2.651 249 G HA2 0.269 4.230 3.960 0.001 0.000 0.260 249 G HA3 0.269 4.230 3.960 0.001 0.000 0.260 249 G C -0.102 174.920 174.900 0.204 0.000 1.216 249 G CA -0.109 44.861 45.100 -0.217 0.000 0.913 249 G HN 0.180 nan 8.290 nan 0.000 0.535 250 S N -2.261 113.706 115.700 0.446 0.000 2.588 250 S HA 0.696 5.167 4.470 0.001 0.000 0.269 250 S C -0.787 173.963 174.600 0.249 0.000 1.157 250 S CA -0.205 58.180 58.200 0.309 0.000 0.824 250 S CB 1.555 64.813 63.200 0.097 0.000 1.126 250 S HN 1.870 nan 8.310 nan 0.000 0.464 251 V N -0.287 119.616 119.914 -0.017 0.000 2.962 251 V HA 0.807 4.928 4.120 0.001 0.000 0.313 251 V C -0.412 175.391 176.094 -0.486 0.000 1.099 251 V CA -0.960 61.240 62.300 -0.166 0.000 0.971 251 V CB 1.540 32.992 31.823 -0.619 0.000 1.028 251 V HN 1.171 nan 8.190 nan 0.000 0.430 252 N N 1.802 120.258 118.700 -0.407 0.000 2.452 252 N HA 0.292 5.032 4.740 0.001 0.000 0.296 252 N C 0.115 175.435 175.510 -0.316 0.000 1.304 252 N CA 0.220 52.694 53.050 -0.959 0.000 0.956 252 N CB 0.017 37.876 38.487 -1.046 0.000 1.106 252 N HN 0.885 nan 8.380 nan 0.000 0.555 253 D N -2.323 117.829 120.400 -0.415 0.000 2.501 253 D HA 0.098 4.739 4.640 0.001 0.000 0.226 253 D C -0.174 176.005 176.300 -0.203 0.000 1.198 253 D CA -0.199 53.641 54.000 -0.267 0.000 0.830 253 D CB -0.209 40.207 40.800 -0.640 0.000 1.014 253 D HN 0.445 nan 8.370 nan 0.000 0.496 254 R N 0.198 120.512 120.500 -0.311 0.000 3.039 254 R HA 0.226 4.566 4.340 0.001 0.000 0.336 254 R C -0.243 175.862 176.300 -0.324 0.000 1.258 254 R CA -0.270 55.630 56.100 -0.335 0.000 1.125 254 R CB -0.114 29.921 30.300 -0.442 0.000 1.427 254 R HN 0.182 nan 8.270 nan 0.000 0.588 255 W N -0.710 120.585 121.300 -0.008 0.000 2.940 255 W HA 0.267 4.928 4.660 0.001 0.000 0.297 255 W C 1.327 177.886 176.519 0.066 0.000 1.149 255 W CA 0.277 57.672 57.345 0.083 0.000 1.564 255 W CB 0.501 29.995 29.460 0.057 0.000 1.010 255 W HN 0.320 nan 8.180 nan 0.000 0.578 256 G N 1.378 110.296 108.800 0.197 0.000 2.160 256 G HA2 -0.165 3.795 3.960 0.001 0.000 0.251 256 G HA3 -0.165 3.795 3.960 0.001 0.000 0.251 256 G C -0.060 174.860 174.900 0.034 0.000 1.008 256 G CA 0.325 45.483 45.100 0.096 0.000 0.724 256 G HN 0.501 nan 8.290 nan 0.000 0.514 257 V N -4.344 115.562 119.914 -0.013 0.000 3.158 257 V HA 0.888 5.008 4.120 0.001 0.000 0.315 257 V C -1.010 174.846 176.094 -0.397 0.000 1.148 257 V CA -1.566 60.540 62.300 -0.323 0.000 1.042 257 V CB 1.448 32.924 31.823 -0.579 0.000 1.101 257 V HN -0.079 nan 8.190 nan 0.000 0.448 258 P HA 0.055 nan 4.420 nan 0.000 0.236 258 P C -0.247 176.908 177.300 -0.241 0.000 1.172 258 P CA 1.304 64.105 63.100 -0.499 0.000 0.759 258 P CB -0.310 30.976 31.700 -0.689 0.000 0.843 259 H N -0.155 118.743 119.070 -0.286 0.000 2.572 259 H HA 0.513 5.069 4.556 0.001 0.000 0.359 259 H C -1.113 174.206 175.328 -0.014 0.000 1.134 259 H CA -0.769 55.197 56.048 -0.136 0.000 1.187 259 H CB 0.957 30.793 29.762 0.123 0.000 1.597 259 H HN -0.057 nan 8.280 nan 0.000 0.524 260 W N 3.931 124.669 121.300 -0.937 0.000 3.298 260 W HA 0.246 4.906 4.660 0.001 0.000 0.302 260 W C -1.286 174.807 176.519 -0.709 0.000 1.255 260 W CA -0.624 56.288 57.345 -0.722 0.000 1.196 260 W CB 0.651 29.852 29.460 -0.432 0.000 1.364 260 W HN 0.465 nan 8.180 nan 0.000 0.566 261 D N 1.115 121.353 120.400 -0.270 0.000 2.338 261 D HA 0.120 4.761 4.640 0.001 0.000 0.208 261 D C 0.126 176.579 176.300 0.255 0.000 0.997 261 D CA 1.264 55.199 54.000 -0.108 0.000 0.880 261 D CB 0.768 41.545 40.800 -0.038 0.000 0.980 261 D HN 0.241 nan 8.370 nan 0.000 0.509 262 F N -0.821 119.322 119.950 0.321 0.000 2.641 262 F HA 0.520 5.047 4.527 0.001 0.000 0.308 262 F C -0.574 175.282 175.800 0.092 0.000 1.105 262 F CA -1.363 56.818 58.000 0.302 0.000 0.964 262 F CB 1.237 40.305 39.000 0.112 0.000 1.294 262 F HN -0.520 nan 8.300 nan 0.000 0.442 263 K N 0.863 121.299 120.400 0.061 0.000 2.132 263 K HA 0.727 5.047 4.320 0.001 0.000 0.241 263 K C -0.526 176.211 176.600 0.229 0.000 1.000 263 K CA -0.663 55.483 56.287 -0.235 0.000 0.911 263 K CB 1.958 34.139 32.500 -0.532 0.000 1.093 263 K HN 0.925 nan 8.250 nan 0.000 0.460 264 T N -2.502 112.120 114.554 0.114 0.000 2.906 264 T HA 0.768 5.119 4.350 0.001 0.000 0.295 264 T C -1.054 173.839 174.700 0.323 0.000 1.075 264 T CA -1.014 61.280 62.100 0.323 0.000 1.005 264 T CB 1.911 70.917 68.868 0.229 0.000 1.136 264 T HN 0.592 nan 8.240 nan 0.000 0.498 265 A N 1.108 124.225 122.820 0.494 0.000 2.486 265 A HA 0.787 5.108 4.320 0.001 0.000 0.300 265 A C -0.939 176.987 177.584 0.570 0.000 1.048 265 A CA -0.798 51.534 52.037 0.492 0.000 0.696 265 A CB 1.699 21.003 19.000 0.508 0.000 1.278 265 A HN 0.940 nan 8.150 nan 0.000 0.405 266 E N 1.385 121.883 120.200 0.497 0.000 2.191 266 E HA 0.573 4.923 4.350 0.001 0.000 0.263 266 E C -0.741 176.180 176.600 0.534 0.000 0.881 266 E CA -0.470 56.197 56.400 0.444 0.000 0.757 266 E CB 0.769 30.762 29.700 0.487 0.000 1.147 266 E HN 0.629 nan 8.360 nan 0.000 0.414 267 Y N 0.821 121.361 120.300 0.399 0.000 2.753 267 Y HA -0.503 4.047 4.550 0.001 0.000 0.449 267 Y C 1.777 177.856 175.900 0.298 0.000 1.127 267 Y CA 1.744 60.041 58.100 0.328 0.000 2.530 267 Y CB -0.955 37.616 38.460 0.184 0.000 1.155 267 Y HN 0.750 nan 8.280 nan 0.000 0.645 268 H N -0.510 118.838 119.070 0.463 0.000 2.457 268 H HA 0.045 4.602 4.556 0.001 0.000 0.294 268 H C 0.491 175.974 175.328 0.259 0.000 1.064 268 H CA 1.240 57.447 56.048 0.265 0.000 1.330 268 H CB -0.556 29.293 29.762 0.146 0.000 1.395 268 H HN 0.106 nan 8.280 nan 0.000 0.541 269 V N 3.819 123.943 119.914 0.350 0.000 2.458 269 V HA -0.089 4.032 4.120 0.001 0.000 0.287 269 V C 0.691 176.930 176.094 0.242 0.000 1.009 269 V CA 0.173 62.618 62.300 0.241 0.000 1.091 269 V CB -0.037 31.894 31.823 0.179 0.000 0.960 269 V HN 0.575 nan 8.190 nan 0.000 0.476 270 N N 2.114 120.909 118.700 0.158 0.000 2.909 270 N HA -0.242 4.499 4.740 0.001 0.000 0.242 270 N C -0.169 175.367 175.510 0.044 0.000 0.975 270 N CA 0.856 53.957 53.050 0.086 0.000 0.921 270 N CB -1.415 37.118 38.487 0.077 0.000 1.112 270 N HN 0.789 nan 8.380 nan 0.000 0.581 271 Y N 3.557 123.864 120.300 0.012 0.000 2.569 271 Y HA 0.172 4.723 4.550 0.001 0.000 0.332 271 Y C -1.425 174.321 175.900 -0.256 0.000 1.120 271 Y CA -0.907 57.120 58.100 -0.120 0.000 1.416 271 Y CB 0.605 39.025 38.460 -0.067 0.000 1.210 271 Y HN 0.037 nan 8.280 nan 0.000 0.528 272 P HA 0.112 nan 4.420 nan 0.000 0.276 272 P C 0.282 177.500 177.300 -0.137 0.000 1.230 272 P CA -0.014 62.810 63.100 -0.460 0.000 0.776 272 P CB 1.543 32.745 31.700 -0.829 0.000 0.888 273 G N 1.481 110.248 108.800 -0.055 0.000 2.430 273 G HA2 -0.066 3.894 3.960 0.001 0.000 0.216 273 G HA3 -0.066 3.894 3.960 0.001 0.000 0.216 273 G C 0.420 175.319 174.900 -0.001 0.000 1.146 273 G CA 0.591 45.699 45.100 0.014 0.000 0.793 273 G HN 0.550 nan 8.290 nan 0.000 0.537 274 D N -1.673 118.697 120.400 -0.050 0.000 2.958 274 D HA 0.302 4.942 4.640 0.001 0.000 0.306 274 D C -0.416 175.842 176.300 -0.070 0.000 1.226 274 D CA -0.834 53.148 54.000 -0.031 0.000 1.032 274 D CB 0.322 41.106 40.800 -0.026 0.000 1.400 274 D HN -0.130 nan 8.370 nan 0.000 0.587 275 L N 2.307 123.502 121.223 -0.046 0.000 2.600 275 L HA 0.227 4.567 4.340 0.001 0.000 0.278 275 L C -1.678 175.097 176.870 -0.159 0.000 1.139 275 L CA -1.020 53.783 54.840 -0.061 0.000 0.933 275 L CB -0.184 41.861 42.059 -0.023 0.000 1.266 275 L HN 0.187 nan 8.230 nan 0.000 0.471 276 P HA 0.127 nan 4.420 nan 0.000 0.274 276 P C 0.650 177.690 177.300 -0.434 0.000 1.246 276 P CA -0.460 62.315 63.100 -0.542 0.000 0.795 276 P CB 0.748 31.762 31.700 -1.143 0.000 1.006 277 G N -0.038 108.572 108.800 -0.318 0.000 3.440 277 G HA2 0.353 4.313 3.960 0.001 0.000 0.263 277 G HA3 0.353 4.313 3.960 0.001 0.000 0.263 277 G C -0.583 174.373 174.900 0.093 0.000 1.236 277 G CA -0.062 45.004 45.100 -0.058 0.000 0.927 277 G HN 0.553 nan 8.290 nan 0.000 0.530 278 Y N -3.115 117.295 120.300 0.185 0.000 2.644 278 Y HA 0.774 5.324 4.550 0.001 0.000 0.338 278 Y C -0.380 175.741 175.900 0.369 0.000 1.119 278 Y CA -2.474 55.801 58.100 0.293 0.000 1.060 278 Y CB 0.935 39.638 38.460 0.405 0.000 1.294 278 Y HN -0.179 nan 8.280 nan 0.000 0.472 279 K N 2.682 123.452 120.400 0.616 0.000 2.298 279 K HA 0.319 4.639 4.320 0.001 0.000 0.280 279 K C -1.095 175.962 176.600 0.762 0.000 1.032 279 K CA -0.463 56.156 56.287 0.553 0.000 0.958 279 K CB 0.188 32.966 32.500 0.463 0.000 0.978 279 K HN 0.793 nan 8.250 nan 0.000 0.472 280 W N 1.910 123.439 121.300 0.382 0.000 3.039 280 W HA 0.610 5.270 4.660 0.001 0.000 0.354 280 W C -1.320 175.413 176.519 0.358 0.000 1.206 280 W CA -0.900 56.681 57.345 0.393 0.000 1.134 280 W CB 0.595 30.229 29.460 0.289 0.000 1.493 280 W HN 0.608 nan 8.180 nan 0.000 0.591 281 E N 1.092 121.563 120.200 0.451 0.000 2.278 281 E HA 0.380 4.731 4.350 0.001 0.000 0.272 281 E C -2.176 174.665 176.600 0.402 0.000 0.890 281 E CA -0.672 55.857 56.400 0.214 0.000 0.770 281 E CB 2.489 32.418 29.700 0.382 0.000 1.212 281 E HN 0.275 nan 8.360 nan 0.000 0.415 282 F N 3.160 123.119 119.950 0.016 0.000 2.404 282 F HA 0.488 5.015 4.527 0.001 0.000 0.345 282 F C -0.371 175.560 175.800 0.218 0.000 1.110 282 F CA 0.035 58.176 58.000 0.235 0.000 1.130 282 F CB 1.704 40.834 39.000 0.215 0.000 1.129 282 F HN 0.293 nan 8.300 nan 0.000 0.500 283 T N 6.444 120.774 114.554 -0.373 0.000 2.900 283 T HA 0.818 5.169 4.350 0.001 0.000 0.295 283 T C -1.214 173.041 174.700 -0.742 0.000 1.044 283 T CA -0.630 61.273 62.100 -0.328 0.000 0.995 283 T CB 1.107 70.140 68.868 0.275 0.000 1.072 283 T HN 0.949 nan 8.240 nan 0.000 0.473 284 R N 0.983 121.089 120.500 -0.656 0.000 2.774 284 R HA 0.670 5.011 4.340 0.001 0.000 0.279 284 R C -0.446 175.321 176.300 -0.890 0.000 1.022 284 R CA -1.287 54.144 56.100 -1.115 0.000 0.855 284 R CB 0.274 29.693 30.300 -1.468 0.000 1.279 284 R HN 0.776 nan 8.270 nan 0.000 0.485 285 G N 0.110 108.310 108.800 -0.999 0.000 2.502 285 G HA2 0.430 4.390 3.960 0.001 0.000 0.305 285 G HA3 0.430 4.390 3.960 0.001 0.000 0.305 285 G C 0.647 175.348 174.900 -0.331 0.000 1.190 285 G CA -1.152 43.528 45.100 -0.700 0.000 0.933 285 G HN 0.551 nan 8.290 nan 0.000 0.503 286 I N 0.487 120.922 120.570 -0.225 0.000 2.493 286 I HA 0.002 4.173 4.170 0.001 0.000 0.254 286 I C 1.965 178.039 176.117 -0.073 0.000 1.160 286 I CA 1.110 62.335 61.300 -0.126 0.000 1.445 286 I CB -0.252 37.692 38.000 -0.092 0.000 1.086 286 I HN 0.508 nan 8.210 nan 0.000 0.433 287 G N 0.099 108.850 108.800 -0.082 0.000 3.019 287 G HA2 0.448 4.408 3.960 0.001 0.000 0.152 287 G HA3 0.448 4.408 3.960 0.001 0.000 0.152 287 G C 0.482 175.387 174.900 0.007 0.000 1.320 287 G CA -0.482 44.601 45.100 -0.027 0.000 1.013 287 G HN 0.073 nan 8.290 nan 0.000 0.593 288 L N 0.021 121.211 121.223 -0.055 0.000 2.585 288 L HA 0.279 4.619 4.340 0.001 0.000 0.226 288 L C 1.312 178.108 176.870 -0.123 0.000 1.113 288 L CA 0.213 54.983 54.840 -0.115 0.000 0.876 288 L CB 0.459 42.416 42.059 -0.170 0.000 1.072 288 L HN 0.335 nan 8.230 nan 0.000 0.468 289 S N -1.586 114.009 115.700 -0.173 0.000 2.664 289 S HA 0.503 4.973 4.470 0.001 0.000 0.304 289 S C 0.292 174.636 174.600 -0.427 0.000 1.099 289 S CA -0.533 57.553 58.200 -0.190 0.000 1.003 289 S CB 1.303 64.417 63.200 -0.142 0.000 1.092 289 S HN 0.054 nan 8.310 nan 0.000 0.525 290 F N 1.392 121.078 119.950 -0.440 0.000 2.399 290 F HA 0.365 4.893 4.527 0.001 0.000 0.282 290 F C 1.874 177.491 175.800 -0.304 0.000 1.027 290 F CA 0.461 58.109 58.000 -0.586 0.000 1.333 290 F CB -0.761 37.485 39.000 -1.257 0.000 1.132 290 F HN 0.700 nan 8.300 nan 0.000 0.590 291 G N -0.689 108.118 108.800 0.011 0.000 2.491 291 G HA2 0.050 4.011 3.960 0.001 0.000 0.242 291 G HA3 0.050 4.011 3.960 0.001 0.000 0.242 291 G C -1.021 173.984 174.900 0.175 0.000 1.266 291 G CA -0.280 44.943 45.100 0.204 0.000 0.844 291 G HN 0.173 nan 8.290 nan 0.000 0.571 292 Y N 1.651 122.016 120.300 0.109 0.000 2.805 292 Y HA 0.090 4.641 4.550 0.001 0.000 0.337 292 Y C 0.138 176.050 175.900 0.020 0.000 1.252 292 Y CA 0.022 58.149 58.100 0.045 0.000 1.515 292 Y CB 0.556 39.060 38.460 0.072 0.000 1.305 292 Y HN 0.500 nan 8.280 nan 0.000 0.600 293 N N 4.579 122.910 118.700 -0.615 0.000 2.519 293 N HA 0.217 4.958 4.740 0.001 0.000 0.286 293 N C -0.228 174.764 175.510 -0.864 0.000 1.079 293 N CA -0.860 51.790 53.050 -0.666 0.000 0.878 293 N CB 0.894 39.135 38.487 -0.411 0.000 1.375 293 N HN 0.740 nan 8.380 nan 0.000 0.514 294 R N 1.810 121.781 120.500 -0.883 0.000 2.323 294 R HA 0.181 4.521 4.340 0.001 0.000 0.198 294 R C 0.009 176.148 176.300 -0.268 0.000 0.988 294 R CA 0.402 56.220 56.100 -0.470 0.000 1.041 294 R CB -0.074 30.126 30.300 -0.167 0.000 0.926 294 R HN 0.267 nan 8.270 nan 0.000 0.476 295 N N 1.207 119.670 118.700 -0.396 0.000 2.373 295 N HA 0.007 4.747 4.740 0.001 0.000 0.181 295 N C -0.466 174.892 175.510 -0.252 0.000 1.082 295 N CA 0.345 53.186 53.050 -0.348 0.000 0.885 295 N CB 0.371 38.503 38.487 -0.592 0.000 0.977 295 N HN 0.424 nan 8.380 nan 0.000 0.462 296 E N 0.257 120.318 120.200 -0.232 0.000 2.289 296 E HA 0.391 4.742 4.350 0.001 0.000 0.278 296 E C 0.409 177.088 176.600 0.132 0.000 1.032 296 E CA -0.345 56.022 56.400 -0.056 0.000 0.854 296 E CB 1.318 30.955 29.700 -0.106 0.000 1.046 296 E HN 0.118 nan 8.360 nan 0.000 0.409 297 G N 2.492 111.498 108.800 0.344 0.000 2.705 297 G HA2 0.255 4.216 3.960 0.001 0.000 0.299 297 G HA3 0.255 4.216 3.960 0.001 0.000 0.299 297 G C -1.765 173.146 174.900 0.018 0.000 1.315 297 G CA -1.135 44.018 45.100 0.088 0.000 1.045 297 G HN 0.305 nan 8.290 nan 0.000 0.517 298 P HA -0.033 nan 4.420 nan 0.000 0.230 298 P C 0.634 177.870 177.300 -0.105 0.000 1.158 298 P CA 0.876 63.949 63.100 -0.046 0.000 0.769 298 P CB 0.335 32.012 31.700 -0.038 0.000 0.807 299 E N -0.726 119.338 120.200 -0.226 0.000 2.333 299 E HA -0.158 4.192 4.350 0.001 0.000 0.198 299 E C 1.632 178.011 176.600 -0.369 0.000 1.007 299 E CA 1.070 57.268 56.400 -0.337 0.000 0.845 299 E CB -0.862 28.525 29.700 -0.522 0.000 0.766 299 E HN 0.560 nan 8.360 nan 0.000 0.507 300 H N -1.224 117.818 119.070 -0.047 0.000 2.750 300 H HA 0.316 4.873 4.556 0.001 0.000 0.263 300 H C 0.600 175.904 175.328 -0.039 0.000 0.964 300 H CA 0.057 56.075 56.048 -0.051 0.000 1.205 300 H CB 0.233 29.947 29.762 -0.080 0.000 1.454 300 H HN 0.180 nan 8.280 nan 0.000 0.503 301 M N 0.948 120.578 119.600 0.050 0.000 2.371 301 M HA 0.277 4.757 4.480 0.001 0.000 0.301 301 M C 0.085 176.378 176.300 -0.010 0.000 1.173 301 M CA -0.433 54.877 55.300 0.015 0.000 1.020 301 M CB 1.619 34.218 32.600 -0.002 0.000 1.490 301 M HN -0.093 nan 8.290 nan 0.000 0.485 302 L N 0.366 121.573 121.223 -0.026 0.000 2.439 302 L HA 0.359 4.700 4.340 0.001 0.000 0.261 302 L C 0.246 177.072 176.870 -0.074 0.000 1.153 302 L CA -0.492 54.318 54.840 -0.050 0.000 0.808 302 L CB 1.291 43.312 42.059 -0.064 0.000 1.126 302 L HN 0.769 nan 8.230 nan 0.000 0.460 303 S N -0.172 115.467 115.700 -0.101 0.000 2.565 303 S HA 0.262 4.732 4.470 0.001 0.000 0.290 303 S C 1.051 175.550 174.600 -0.169 0.000 1.150 303 S CA -0.964 57.167 58.200 -0.115 0.000 1.058 303 S CB 1.764 64.896 63.200 -0.114 0.000 1.032 303 S HN 0.336 nan 8.310 nan 0.000 0.510 304 V N 2.106 121.930 119.914 -0.151 0.000 2.311 304 V HA -0.296 3.824 4.120 0.001 0.000 0.259 304 V C 2.505 178.402 176.094 -0.329 0.000 1.086 304 V CA 2.638 64.826 62.300 -0.187 0.000 1.078 304 V CB -1.438 30.315 31.823 -0.116 0.000 0.668 304 V HN 0.909 nan 8.190 nan 0.000 0.452 305 E N -0.176 119.799 120.200 -0.375 0.000 2.051 305 E HA -0.213 4.137 4.350 0.001 0.000 0.192 305 E C 2.324 178.355 176.600 -0.949 0.000 0.991 305 E CA 1.386 57.376 56.400 -0.684 0.000 0.799 305 E CB -0.343 29.028 29.700 -0.547 0.000 0.748 305 E HN 0.705 nan 8.360 nan 0.000 0.449 306 Q N -0.144 119.332 119.800 -0.539 0.000 2.124 306 Q HA -0.137 4.203 4.340 0.001 0.000 0.202 306 Q C 2.161 177.981 176.000 -0.301 0.000 0.977 306 Q CA 0.825 56.419 55.803 -0.348 0.000 0.850 306 Q CB -0.153 28.492 28.738 -0.156 0.000 0.901 306 Q HN 0.170 nan 8.270 nan 0.000 0.429 307 L N 0.073 121.113 121.223 -0.305 0.000 2.012 307 L HA -0.190 4.151 4.340 0.001 0.000 0.210 307 L C 2.170 178.813 176.870 -0.379 0.000 1.073 307 L CA 1.455 56.131 54.840 -0.273 0.000 0.748 307 L CB -0.520 41.392 42.059 -0.244 0.000 0.891 307 L HN 0.021 nan 8.230 nan 0.000 0.431 308 V N -1.069 118.512 119.914 -0.554 0.000 2.261 308 V HA -0.374 3.746 4.120 0.001 0.000 0.246 308 V C 2.253 178.026 176.094 -0.535 0.000 1.047 308 V CA 2.197 64.028 62.300 -0.782 0.000 1.015 308 V CB -0.817 30.315 31.823 -1.152 0.000 0.642 308 V HN 0.480 nan 8.190 nan 0.000 0.446 309 Y N 0.197 120.240 120.300 -0.428 0.000 2.165 309 Y HA -0.283 4.268 4.550 0.001 0.000 0.286 309 Y C 2.867 178.628 175.900 -0.232 0.000 1.155 309 Y CA 1.250 59.166 58.100 -0.307 0.000 1.164 309 Y CB -0.688 37.643 38.460 -0.216 0.000 0.978 309 Y HN 0.250 nan 8.280 nan 0.000 0.513 310 T N 0.884 115.408 114.554 -0.050 0.000 2.652 310 T HA -0.229 4.122 4.350 0.001 0.000 0.267 310 T C 1.865 176.539 174.700 -0.044 0.000 1.039 310 T CA 1.506 63.588 62.100 -0.031 0.000 1.153 310 T CB -0.653 68.216 68.868 0.003 0.000 0.863 310 T HN 0.169 nan 8.240 nan 0.000 0.428 311 L N 1.570 122.705 121.223 -0.146 0.000 1.990 311 L HA -0.097 4.243 4.340 0.001 0.000 0.213 311 L C 2.475 179.258 176.870 -0.145 0.000 1.072 311 L CA 1.695 56.427 54.840 -0.180 0.000 0.755 311 L CB -1.027 40.835 42.059 -0.328 0.000 0.889 311 L HN 0.120 nan 8.230 nan 0.000 0.432 312 V N 0.065 119.869 119.914 -0.182 0.000 2.287 312 V HA -0.350 3.770 4.120 0.001 0.000 0.248 312 V C 2.389 178.445 176.094 -0.062 0.000 1.053 312 V CA 2.127 64.353 62.300 -0.124 0.000 1.027 312 V CB -0.981 30.751 31.823 -0.152 0.000 0.646 312 V HN 0.618 nan 8.190 nan 0.000 0.447 313 D N -0.149 120.229 120.400 -0.036 0.000 2.097 313 D HA -0.154 4.486 4.640 0.001 0.000 0.195 313 D C 2.027 178.388 176.300 0.102 0.000 0.989 313 D CA 1.532 55.552 54.000 0.033 0.000 0.827 313 D CB -0.071 40.760 40.800 0.051 0.000 0.966 313 D HN 0.186 nan 8.370 nan 0.000 0.456 314 V N -0.006 119.955 119.914 0.078 0.000 2.255 314 V HA -0.253 3.867 4.120 0.001 0.000 0.247 314 V C 2.610 178.650 176.094 -0.090 0.000 1.051 314 V CA 1.561 63.854 62.300 -0.013 0.000 1.018 314 V CB -0.589 31.158 31.823 -0.127 0.000 0.641 314 V HN 0.189 nan 8.190 nan 0.000 0.445 315 V N 1.023 120.884 119.914 -0.087 0.000 2.469 315 V HA -0.232 3.888 4.120 0.001 0.000 0.251 315 V C 2.680 178.781 176.094 0.011 0.000 1.064 315 V CA 2.247 64.504 62.300 -0.073 0.000 1.066 315 V CB -0.843 30.937 31.823 -0.071 0.000 0.667 315 V HN 0.786 nan 8.190 nan 0.000 0.461 316 S N -0.058 115.671 115.700 0.048 0.000 2.447 316 S HA -0.144 4.327 4.470 0.001 0.000 0.233 316 S C 1.639 176.329 174.600 0.151 0.000 1.006 316 S CA 1.008 59.273 58.200 0.108 0.000 0.957 316 S CB -0.331 62.921 63.200 0.087 0.000 0.773 316 S HN 0.653 nan 8.310 nan 0.000 0.507 317 K N 0.567 121.071 120.400 0.174 0.000 2.410 317 K HA 0.375 4.695 4.320 0.001 0.000 0.200 317 K C 1.089 177.903 176.600 0.357 0.000 1.023 317 K CA 0.341 56.783 56.287 0.258 0.000 1.149 317 K CB 0.213 32.920 32.500 0.345 0.000 0.859 317 K HN 0.488 nan 8.250 nan 0.000 0.514 318 G N 0.537 109.449 108.800 0.186 0.000 2.176 318 G HA2 -0.233 3.728 3.960 0.001 0.000 0.253 318 G HA3 -0.233 3.728 3.960 0.001 0.000 0.253 318 G C 0.382 175.203 174.900 -0.131 0.000 0.979 318 G CA -0.201 44.975 45.100 0.127 0.000 0.641 318 G HN 0.504 nan 8.290 nan 0.000 0.530 319 G N -0.767 107.717 108.800 -0.526 0.000 2.557 319 G HA2 0.594 4.554 3.960 0.001 0.000 0.302 319 G HA3 0.594 4.554 3.960 0.001 0.000 0.302 319 G C -0.528 174.019 174.900 -0.589 0.000 1.311 319 G CA -0.495 43.910 45.100 -1.158 0.000 1.030 319 G HN 0.272 nan 8.290 nan 0.000 0.509 320 N N -1.429 116.961 118.700 -0.517 0.000 2.319 320 N HA 0.535 5.276 4.740 0.001 0.000 0.305 320 N C -1.191 174.220 175.510 -0.164 0.000 1.103 320 N CA -0.587 52.305 53.050 -0.263 0.000 0.815 320 N CB 2.186 40.501 38.487 -0.288 0.000 1.288 320 N HN 0.410 nan 8.380 nan 0.000 0.493 321 L N 1.670 122.878 121.223 -0.025 0.000 2.296 321 L HA 0.603 4.943 4.340 0.001 0.000 0.286 321 L C -1.391 175.530 176.870 0.086 0.000 1.023 321 L CA -0.648 54.231 54.840 0.064 0.000 0.812 321 L CB 0.932 43.026 42.059 0.058 0.000 1.223 321 L HN 0.433 nan 8.230 nan 0.000 0.421 322 L N 6.207 127.441 121.223 0.018 0.000 2.335 322 L HA 0.487 4.827 4.340 0.001 0.000 0.268 322 L C -1.114 175.730 176.870 -0.043 0.000 1.037 322 L CA -0.335 54.442 54.840 -0.104 0.000 0.895 322 L CB 0.908 42.856 42.059 -0.185 0.000 1.266 322 L HN 0.721 nan 8.230 nan 0.000 0.439 323 L N 4.256 125.493 121.223 0.023 0.000 2.319 323 L HA 0.405 4.745 4.340 0.001 0.000 0.280 323 L C 0.017 176.877 176.870 -0.017 0.000 1.099 323 L CA 0.304 55.148 54.840 0.007 0.000 0.828 323 L CB 0.800 42.932 42.059 0.121 0.000 1.150 323 L HN 0.723 nan 8.230 nan 0.000 0.442 324 N N 3.112 121.783 118.700 -0.049 0.000 2.518 324 N HA 0.500 5.240 4.740 0.001 0.000 0.283 324 N C -1.095 174.326 175.510 -0.149 0.000 1.119 324 N CA -0.420 52.604 53.050 -0.043 0.000 0.983 324 N CB 1.291 39.705 38.487 -0.122 0.000 1.139 324 N HN 0.495 nan 8.380 nan 0.000 0.465 325 V N 0.769 120.588 119.914 -0.157 0.000 2.555 325 V HA 0.862 4.983 4.120 0.001 0.000 0.302 325 V C 0.235 176.248 176.094 -0.135 0.000 1.038 325 V CA -0.740 61.455 62.300 -0.175 0.000 0.887 325 V CB 1.277 32.957 31.823 -0.239 0.000 0.991 325 V HN 0.681 nan 8.190 nan 0.000 0.434 326 G N 5.363 114.120 108.800 -0.073 0.000 2.873 326 G HA2 0.658 4.618 3.960 0.001 0.000 0.340 326 G HA3 0.658 4.618 3.960 0.001 0.000 0.340 326 G C -2.809 172.110 174.900 0.032 0.000 1.171 326 G CA -1.563 43.560 45.100 0.038 0.000 1.113 326 G HN 0.672 nan 8.290 nan 0.000 0.471 327 P HA 0.195 nan 4.420 nan 0.000 0.272 327 P C 0.146 177.485 177.300 0.065 0.000 1.240 327 P CA -0.271 62.759 63.100 -0.116 0.000 0.791 327 P CB 1.127 32.577 31.700 -0.416 0.000 0.978 328 K N 0.202 120.594 120.400 -0.014 0.000 2.098 328 K HA 0.324 4.645 4.320 0.001 0.000 0.257 328 K C 1.876 178.715 176.600 0.397 0.000 0.999 328 K CA -0.121 56.150 56.287 -0.027 0.000 0.924 328 K CB 0.085 32.480 32.500 -0.176 0.000 1.028 328 K HN 0.510 nan 8.250 nan 0.000 0.466 329 G N 1.405 110.377 108.800 0.287 0.000 2.503 329 G HA2 -0.302 3.659 3.960 0.001 0.000 0.221 329 G HA3 -0.302 3.659 3.960 0.001 0.000 0.221 329 G C 0.849 176.036 174.900 0.478 0.000 1.131 329 G CA 1.493 46.806 45.100 0.355 0.000 0.756 329 G HN 0.854 nan 8.290 nan 0.000 0.572 330 D N -0.738 119.867 120.400 0.342 0.000 2.349 330 D HA 0.240 4.881 4.640 0.001 0.000 0.224 330 D C 1.702 178.239 176.300 0.395 0.000 1.029 330 D CA 0.731 54.905 54.000 0.290 0.000 0.879 330 D CB -0.522 40.390 40.800 0.187 0.000 0.906 330 D HN 0.573 nan 8.370 nan 0.000 0.528 331 G N 0.008 109.173 108.800 0.609 0.000 2.176 331 G HA2 -0.266 3.694 3.960 0.001 0.000 0.253 331 G HA3 -0.266 3.694 3.960 0.001 0.000 0.253 331 G C 0.489 175.701 174.900 0.519 0.000 0.979 331 G CA 0.498 45.959 45.100 0.602 0.000 0.641 331 G HN 0.799 nan 8.290 nan 0.000 0.530 332 T N -0.875 113.875 114.554 0.327 0.000 2.913 332 T HA 0.702 5.052 4.350 0.001 0.000 0.287 332 T C 0.407 175.182 174.700 0.125 0.000 1.008 332 T CA -0.701 61.544 62.100 0.241 0.000 1.067 332 T CB 2.063 71.002 68.868 0.120 0.000 0.996 332 T HN 0.447 nan 8.240 nan 0.000 0.513 333 I N 3.195 123.804 120.570 0.065 0.000 2.307 333 I HA 0.285 4.456 4.170 0.001 0.000 0.289 333 I C -2.155 173.924 176.117 -0.062 0.000 1.021 333 I CA -2.678 58.577 61.300 -0.075 0.000 1.224 333 I CB 1.331 39.244 38.000 -0.145 0.000 1.376 333 I HN 0.477 nan 8.210 nan 0.000 0.470 334 P HA -0.068 nan 4.420 nan 0.000 0.261 334 P C -0.010 177.289 177.300 -0.002 0.000 1.165 334 P CA 0.326 63.396 63.100 -0.051 0.000 0.759 334 P CB 0.565 32.261 31.700 -0.006 0.000 0.772 335 D N 1.886 122.295 120.400 0.014 0.000 2.149 335 D HA -0.189 4.451 4.640 0.001 0.000 0.194 335 D C 1.702 178.013 176.300 0.019 0.000 1.001 335 D CA 1.260 55.271 54.000 0.018 0.000 0.849 335 D CB -0.323 40.491 40.800 0.023 0.000 0.939 335 D HN 0.373 nan 8.370 nan 0.000 0.449 336 L N 0.124 121.364 121.223 0.030 0.000 2.127 336 L HA -0.233 4.108 4.340 0.001 0.000 0.211 336 L C 2.289 179.165 176.870 0.010 0.000 1.089 336 L CA 1.228 56.081 54.840 0.022 0.000 0.757 336 L CB -0.303 41.777 42.059 0.035 0.000 0.899 336 L HN 0.165 nan 8.230 nan 0.000 0.434 337 Q N -0.576 119.229 119.800 0.009 0.000 2.123 337 Q HA -0.166 4.174 4.340 0.001 0.000 0.196 337 Q C 2.176 178.175 176.000 -0.002 0.000 0.958 337 Q CA 0.851 56.650 55.803 -0.007 0.000 0.841 337 Q CB 0.047 28.774 28.738 -0.019 0.000 0.915 337 Q HN 0.318 nan 8.270 nan 0.000 0.455 338 K N 1.158 121.558 120.400 0.001 0.000 2.063 338 K HA -0.207 4.113 4.320 0.001 0.000 0.208 338 K C 1.771 178.382 176.600 0.019 0.000 1.048 338 K CA 1.404 57.698 56.287 0.011 0.000 0.928 338 K CB 0.147 32.650 32.500 0.006 0.000 0.713 338 K HN 0.182 nan 8.250 nan 0.000 0.442 339 E N -0.291 119.916 120.200 0.012 0.000 2.072 339 E HA -0.171 4.179 4.350 0.001 0.000 0.191 339 E C 2.084 178.689 176.600 0.007 0.000 0.985 339 E CA 1.064 57.470 56.400 0.011 0.000 0.801 339 E CB 0.073 29.777 29.700 0.006 0.000 0.750 339 E HN 0.213 nan 8.360 nan 0.000 0.452 340 R N 0.312 120.811 120.500 -0.003 0.000 2.115 340 R HA -0.061 4.280 4.340 0.001 0.000 0.230 340 R C 2.389 178.689 176.300 0.000 0.000 1.111 340 R CA 0.724 56.812 56.100 -0.018 0.000 0.976 340 R CB -0.156 30.123 30.300 -0.035 0.000 0.870 340 R HN 0.166 nan 8.270 nan 0.000 0.445 341 L N 0.404 121.646 121.223 0.031 0.000 2.027 341 L HA -0.184 4.156 4.340 0.001 0.000 0.206 341 L C 2.251 179.178 176.870 0.095 0.000 1.074 341 L CA 1.274 56.165 54.840 0.084 0.000 0.745 341 L CB -0.352 41.775 42.059 0.114 0.000 0.898 341 L HN 0.212 nan 8.230 nan 0.000 0.433 342 L N -0.766 120.500 121.223 0.071 0.000 2.046 342 L HA -0.150 4.191 4.340 0.001 0.000 0.208 342 L C 2.671 179.583 176.870 0.070 0.000 1.077 342 L CA 1.350 56.232 54.840 0.070 0.000 0.747 342 L CB -1.315 40.772 42.059 0.048 0.000 0.896 342 L HN 0.327 nan 8.230 nan 0.000 0.432 343 G N 0.584 109.412 108.800 0.047 0.000 2.514 343 G HA2 -0.328 3.632 3.960 0.001 0.000 0.217 343 G HA3 -0.328 3.632 3.960 0.001 0.000 0.217 343 G C 1.537 176.484 174.900 0.079 0.000 1.198 343 G CA 1.044 46.171 45.100 0.046 0.000 0.780 343 G HN 0.229 nan 8.290 nan 0.000 0.565 344 L N 1.880 123.126 121.223 0.039 0.000 2.079 344 L HA 0.077 4.417 4.340 0.001 0.000 0.210 344 L C 2.800 179.758 176.870 0.146 0.000 1.081 344 L CA 2.409 57.270 54.840 0.036 0.000 0.752 344 L CB -1.140 40.857 42.059 -0.105 0.000 0.896 344 L HN 0.198 nan 8.230 nan 0.000 0.433 345 G N -1.315 107.578 108.800 0.155 0.000 2.440 345 G HA2 -0.293 3.667 3.960 0.001 0.000 0.218 345 G HA3 -0.293 3.667 3.960 0.001 0.000 0.218 345 G C 1.507 176.507 174.900 0.166 0.000 1.154 345 G CA 0.831 46.045 45.100 0.191 0.000 0.767 345 G HN 0.504 nan 8.290 nan 0.000 0.552 346 E N -0.797 119.490 120.200 0.143 0.000 2.031 346 E HA -0.153 4.197 4.350 0.001 0.000 0.193 346 E C 2.000 178.684 176.600 0.140 0.000 0.994 346 E CA 1.031 57.501 56.400 0.116 0.000 0.800 346 E CB -0.262 29.503 29.700 0.108 0.000 0.752 346 E HN 0.617 nan 8.360 nan 0.000 0.447 347 W N 0.967 122.292 121.300 0.042 0.000 2.338 347 W HA -0.177 4.483 4.660 0.001 0.000 0.304 347 W C 1.700 178.279 176.519 0.101 0.000 1.212 347 W CA 1.326 58.731 57.345 0.101 0.000 1.264 347 W CB -0.212 29.287 29.460 0.065 0.000 1.142 347 W HN 0.029 nan 8.180 nan 0.000 0.512 348 L N 0.413 121.778 121.223 0.238 0.000 2.191 348 L HA -0.190 4.151 4.340 0.001 0.000 0.212 348 L C 2.772 179.624 176.870 -0.029 0.000 1.103 348 L CA 1.511 56.382 54.840 0.051 0.000 0.769 348 L CB -0.757 41.428 42.059 0.211 0.000 0.908 348 L HN 0.002 nan 8.230 nan 0.000 0.438 349 R N 0.359 120.859 120.500 0.000 0.000 2.096 349 R HA -0.173 4.167 4.340 0.001 0.000 0.235 349 R C 2.112 178.325 176.300 -0.146 0.000 1.127 349 R CA 1.403 57.490 56.100 -0.021 0.000 0.968 349 R CB 0.104 30.402 30.300 -0.003 0.000 0.861 349 R HN 0.328 nan 8.270 nan 0.000 0.440 350 K N -1.270 118.939 120.400 -0.318 0.000 2.099 350 K HA -0.056 4.264 4.320 0.001 0.000 0.203 350 K C 1.244 177.443 176.600 -0.668 0.000 1.047 350 K CA 1.084 57.034 56.287 -0.561 0.000 0.963 350 K CB 0.134 32.135 32.500 -0.832 0.000 0.759 350 K HN 0.191 nan 8.250 nan 0.000 0.451 351 Y N 0.055 119.983 120.300 -0.621 0.000 2.458 351 Y HA 0.215 4.766 4.550 0.001 0.000 0.256 351 Y C 2.009 177.519 175.900 -0.650 0.000 1.159 351 Y CA -0.256 57.382 58.100 -0.769 0.000 1.261 351 Y CB -0.112 37.430 38.460 -1.530 0.000 1.119 351 Y HN 0.099 nan 8.280 nan 0.000 0.524 352 G N 0.378 108.995 108.800 -0.304 0.000 2.550 352 G HA2 -0.339 3.621 3.960 0.001 0.000 0.222 352 G HA3 -0.339 3.621 3.960 0.001 0.000 0.222 352 G C 1.540 176.366 174.900 -0.123 0.000 1.113 352 G CA 1.541 46.517 45.100 -0.208 0.000 0.748 352 G HN 0.331 nan 8.290 nan 0.000 0.585 353 D N 0.534 120.911 120.400 -0.037 0.000 2.263 353 D HA -0.001 4.639 4.640 0.001 0.000 0.208 353 D C 2.331 178.382 176.300 -0.416 0.000 0.971 353 D CA 1.005 54.995 54.000 -0.017 0.000 0.867 353 D CB 0.013 40.941 40.800 0.213 0.000 0.929 353 D HN 0.364 nan 8.370 nan 0.000 0.492 354 A N -0.240 122.034 122.820 -0.909 0.000 2.460 354 A HA 0.178 4.499 4.320 0.001 0.000 0.258 354 A C 1.300 178.482 177.584 -0.670 0.000 1.300 354 A CA -0.141 50.886 52.037 -1.683 0.000 0.913 354 A CB 0.305 18.203 19.000 -1.837 0.000 1.031 354 A HN 0.070 nan 8.150 nan 0.000 0.512 355 I N -2.350 117.979 120.570 -0.401 0.000 3.626 355 I HA 0.162 4.333 4.170 0.001 0.000 0.256 355 I C 0.347 176.398 176.117 -0.110 0.000 1.105 355 I CA -0.033 61.111 61.300 -0.261 0.000 1.656 355 I CB -1.286 36.480 38.000 -0.391 0.000 1.672 355 I HN 0.281 nan 8.210 nan 0.000 0.421 356 Y N 1.957 122.258 120.300 0.002 0.000 2.683 356 Y HA 0.284 4.834 4.550 0.001 0.000 0.340 356 Y C 1.739 177.668 175.900 0.048 0.000 1.245 356 Y CA 0.915 59.039 58.100 0.040 0.000 1.485 356 Y CB -0.116 38.378 38.460 0.056 0.000 1.328 356 Y HN 0.549 nan 8.280 nan 0.000 0.603 357 G N 0.825 109.762 108.800 0.227 0.000 2.186 357 G HA2 -0.342 3.619 3.960 0.001 0.000 0.266 357 G HA3 -0.342 3.619 3.960 0.001 0.000 0.266 357 G C 0.223 175.214 174.900 0.151 0.000 0.982 357 G CA 0.616 45.815 45.100 0.165 0.000 0.670 357 G HN 0.958 nan 8.290 nan 0.000 0.533 358 T N -2.099 112.539 114.554 0.139 0.000 2.902 358 T HA 0.733 5.084 4.350 0.001 0.000 0.280 358 T C 0.207 174.985 174.700 0.131 0.000 0.992 358 T CA 0.277 62.473 62.100 0.160 0.000 1.015 358 T CB 2.164 71.139 68.868 0.178 0.000 1.044 358 T HN 0.414 nan 8.240 nan 0.000 0.520 359 S N 0.318 116.107 115.700 0.148 0.000 2.600 359 S HA 0.646 5.117 4.470 0.001 0.000 0.300 359 S C 0.379 175.078 174.600 0.165 0.000 1.087 359 S CA -0.773 57.508 58.200 0.134 0.000 0.965 359 S CB 1.529 64.802 63.200 0.123 0.000 1.089 359 S HN 1.046 nan 8.310 nan 0.000 0.496 360 V N 0.464 120.470 119.914 0.153 0.000 3.287 360 V HA 0.391 4.512 4.120 0.001 0.000 0.306 360 V C 0.210 176.457 176.094 0.254 0.000 1.103 360 V CA -0.077 62.336 62.300 0.188 0.000 1.159 360 V CB 0.232 32.139 31.823 0.140 0.000 1.036 360 V HN 0.916 nan 8.190 nan 0.000 0.487 361 W N 1.011 122.342 121.300 0.052 0.000 2.093 361 W HA 0.467 5.128 4.660 0.001 0.000 0.626 361 W C 1.733 178.236 176.519 -0.026 0.000 1.436 361 W CA 0.084 57.429 57.345 0.001 0.000 1.314 361 W CB 0.754 30.204 29.460 -0.016 0.000 3.308 361 W HN 0.710 nan 8.180 nan 0.000 0.758 362 E N 0.328 119.990 120.200 -0.896 0.000 2.250 362 E HA 0.021 4.372 4.350 0.001 0.000 0.192 362 E C 0.144 176.477 176.600 -0.445 0.000 0.986 362 E CA 0.442 56.413 56.400 -0.715 0.000 0.849 362 E CB 0.481 29.566 29.700 -1.025 0.000 0.797 362 E HN 0.269 nan 8.360 nan 0.000 0.482 363 R N -0.260 120.008 120.500 -0.386 0.000 2.771 363 R HA 0.336 4.677 4.340 0.001 0.000 0.274 363 R C 0.909 177.367 176.300 0.264 0.000 0.987 363 R CA -0.439 55.621 56.100 -0.065 0.000 0.908 363 R CB 0.644 30.885 30.300 -0.099 0.000 1.213 363 R HN 0.022 nan 8.270 nan 0.000 0.468 364 C N -1.356 118.100 119.300 0.260 0.000 2.527 364 C HA 0.487 4.948 4.460 0.001 0.000 0.280 364 C C 0.470 175.666 174.990 0.344 0.000 1.353 364 C CA -0.243 58.960 59.018 0.308 0.000 1.749 364 C CB -0.831 27.009 27.740 0.167 0.000 2.088 364 C HN 0.635 nan 8.230 nan 0.000 0.508 365 C N 1.471 120.955 119.300 0.307 0.000 2.707 365 C HA 0.943 5.404 4.460 0.001 0.000 0.313 365 C C 0.302 175.437 174.990 0.241 0.000 1.209 365 C CA 0.323 59.445 59.018 0.173 0.000 1.635 365 C CB 0.835 28.619 27.740 0.073 0.000 2.206 365 C HN 0.929 nan 8.230 nan 0.000 0.485 366 A N 1.713 124.572 122.820 0.064 0.000 2.564 366 A HA 0.975 5.296 4.320 0.001 0.000 0.291 366 A C -1.647 175.898 177.584 -0.066 0.000 1.102 366 A CA -0.677 51.409 52.037 0.083 0.000 0.660 366 A CB 1.460 20.611 19.000 0.252 0.000 1.283 366 A HN 1.011 nan 8.150 nan 0.000 0.430 367 K N -0.676 119.703 120.400 -0.036 0.000 2.536 367 K HA 0.723 5.044 4.320 0.001 0.000 0.269 367 K C -0.617 175.971 176.600 -0.020 0.000 0.965 367 K CA -0.208 56.041 56.287 -0.064 0.000 0.860 367 K CB 1.662 34.137 32.500 -0.042 0.000 1.423 367 K HN 0.939 nan 8.250 nan 0.000 0.438 368 T N -1.997 112.557 114.554 -0.000 0.000 2.913 368 T HA 0.082 4.432 4.350 0.001 0.000 0.287 368 T C 1.079 175.805 174.700 0.045 0.000 1.008 368 T CA -0.480 61.656 62.100 0.060 0.000 1.067 368 T CB 1.494 70.437 68.868 0.125 0.000 0.996 368 T HN 0.857 nan 8.240 nan 0.000 0.513 369 E N 0.915 121.147 120.200 0.053 0.000 2.187 369 E HA -0.280 4.070 4.350 0.001 0.000 0.199 369 E C 0.991 177.610 176.600 0.031 0.000 1.004 369 E CA 2.029 58.453 56.400 0.040 0.000 0.813 369 E CB -0.239 29.489 29.700 0.046 0.000 0.736 369 E HN 0.938 nan 8.360 nan 0.000 0.468 370 D N -2.336 118.086 120.400 0.036 0.000 2.325 370 D HA 0.160 4.801 4.640 0.001 0.000 0.225 370 D C 1.105 177.417 176.300 0.019 0.000 1.096 370 D CA 0.527 54.544 54.000 0.027 0.000 0.844 370 D CB 0.630 41.449 40.800 0.031 0.000 0.925 370 D HN 0.265 nan 8.370 nan 0.000 0.513 371 G N -0.529 108.279 108.800 0.014 0.000 2.194 371 G HA2 -0.280 3.681 3.960 0.001 0.000 0.236 371 G HA3 -0.280 3.681 3.960 0.001 0.000 0.236 371 G C 0.517 175.406 174.900 -0.017 0.000 0.987 371 G CA 0.112 45.210 45.100 -0.003 0.000 0.635 371 G HN 0.401 nan 8.290 nan 0.000 0.520 372 T N 2.447 117.001 114.554 0.001 0.000 2.916 372 T HA 0.426 4.777 4.350 0.001 0.000 0.303 372 T C 0.218 174.872 174.700 -0.076 0.000 1.025 372 T CA 0.168 62.258 62.100 -0.016 0.000 1.142 372 T CB 1.030 69.945 68.868 0.080 0.000 0.947 372 T HN 0.248 nan 8.240 nan 0.000 0.544 373 E N 2.662 122.771 120.200 -0.152 0.000 2.301 373 E HA 0.371 4.721 4.350 0.001 0.000 0.275 373 E C -0.207 176.201 176.600 -0.321 0.000 1.030 373 E CA -0.232 56.044 56.400 -0.206 0.000 0.852 373 E CB 1.429 31.006 29.700 -0.204 0.000 1.060 373 E HN 0.498 nan 8.360 nan 0.000 0.401 374 I N 2.976 123.310 120.570 -0.392 0.000 2.474 374 I HA 0.349 4.520 4.170 0.001 0.000 0.294 374 I C 0.152 175.898 176.117 -0.618 0.000 1.005 374 I CA -0.865 60.045 61.300 -0.648 0.000 1.113 374 I CB 1.353 38.830 38.000 -0.872 0.000 1.289 374 I HN 0.031 nan 8.210 nan 0.000 0.436 375 R N 4.589 124.695 120.500 -0.657 0.000 2.803 375 R HA 0.661 5.001 4.340 0.001 0.000 0.276 375 R C -1.388 174.536 176.300 -0.625 0.000 0.978 375 R CA -0.937 54.884 56.100 -0.464 0.000 0.939 375 R CB 1.897 32.061 30.300 -0.227 0.000 1.179 375 R HN 0.361 nan 8.270 nan 0.000 0.472 376 F N -0.395 119.558 119.950 0.005 0.000 2.561 376 F HA 0.595 5.123 4.527 0.001 0.000 0.321 376 F C 0.673 176.515 175.800 0.070 0.000 1.065 376 F CA -0.517 57.486 58.000 0.006 0.000 0.934 376 F CB 2.386 41.442 39.000 0.093 0.000 1.215 376 F HN 0.467 nan 8.300 nan 0.000 0.471 377 T N -0.638 114.077 114.554 0.268 0.000 2.894 377 T HA 0.651 5.001 4.350 0.001 0.000 0.309 377 T C -1.083 173.761 174.700 0.240 0.000 1.208 377 T CA -1.043 61.216 62.100 0.265 0.000 1.016 377 T CB 2.502 71.504 68.868 0.224 0.000 1.192 377 T HN 0.758 nan 8.240 nan 0.000 0.491 378 R N 0.036 120.669 120.500 0.222 0.000 2.892 378 R HA 0.746 5.087 4.340 0.001 0.000 0.265 378 R C -1.432 174.960 176.300 0.154 0.000 1.025 378 R CA -1.008 55.151 56.100 0.098 0.000 0.982 378 R CB 1.706 32.106 30.300 0.166 0.000 1.185 378 R HN 0.774 nan 8.270 nan 0.000 0.484 379 K N 2.020 122.449 120.400 0.048 0.000 2.805 379 K HA 0.211 4.531 4.320 0.001 0.000 0.276 379 K C -0.746 175.871 176.600 0.028 0.000 1.209 379 K CA -0.401 55.947 56.287 0.101 0.000 1.065 379 K CB 0.361 32.990 32.500 0.215 0.000 1.363 379 K HN 0.858 nan 8.250 nan 0.000 0.546 380 C N 0.660 119.988 119.300 0.047 0.000 1.976 380 C HA -0.355 4.106 4.460 0.001 0.000 0.111 380 C C 1.816 176.810 174.990 0.007 0.000 0.830 380 C CA 1.742 60.780 59.018 0.033 0.000 0.873 380 C CB -1.501 26.259 27.740 0.033 0.000 3.215 380 C HN 1.039 nan 8.230 nan 0.000 1.057 381 N N 1.685 120.377 118.700 -0.014 0.000 2.463 381 N HA 0.073 4.813 4.740 0.001 0.000 0.181 381 N C 0.270 175.715 175.510 -0.109 0.000 1.078 381 N CA 0.653 53.683 53.050 -0.033 0.000 0.902 381 N CB -0.174 38.302 38.487 -0.017 0.000 0.970 381 N HN 0.694 nan 8.380 nan 0.000 0.451 382 R N 0.697 121.091 120.500 -0.176 0.000 2.308 382 R HA 0.425 4.766 4.340 0.001 0.000 0.305 382 R C -0.486 175.478 176.300 -0.560 0.000 1.053 382 R CA -0.337 55.542 56.100 -0.369 0.000 0.957 382 R CB 1.288 31.321 30.300 -0.446 0.000 1.022 382 R HN 0.140 nan 8.270 nan 0.000 0.461 383 I N 3.683 123.877 120.570 -0.627 0.000 2.406 383 I HA 0.303 4.473 4.170 0.001 0.000 0.290 383 I C -0.628 175.123 176.117 -0.609 0.000 0.999 383 I CA -0.709 60.183 61.300 -0.680 0.000 1.124 383 I CB 1.281 38.805 38.000 -0.793 0.000 1.289 383 I HN 0.398 nan 8.210 nan 0.000 0.441 384 F N 5.341 125.197 119.950 -0.158 0.000 2.410 384 F HA 0.416 4.943 4.527 0.001 0.000 0.349 384 F C 0.185 175.915 175.800 -0.115 0.000 1.117 384 F CA -0.934 56.990 58.000 -0.127 0.000 1.104 384 F CB 1.505 40.407 39.000 -0.162 0.000 1.122 384 F HN 0.040 nan 8.300 nan 0.000 0.483 385 V N 5.705 125.648 119.914 0.048 0.000 2.311 385 V HA 0.336 4.457 4.120 0.001 0.000 0.275 385 V C -0.042 175.968 176.094 -0.141 0.000 1.022 385 V CA -0.556 61.652 62.300 -0.154 0.000 0.830 385 V CB 0.815 32.626 31.823 -0.019 0.000 1.012 385 V HN 0.558 nan 8.190 nan 0.000 0.452 386 I N 5.448 125.832 120.570 -0.310 0.000 2.330 386 I HA 0.426 4.596 4.170 0.001 0.000 0.289 386 I C -0.548 175.415 176.117 -0.257 0.000 1.001 386 I CA -0.249 60.942 61.300 -0.182 0.000 1.193 386 I CB 1.094 38.991 38.000 -0.171 0.000 1.345 386 I HN 0.353 nan 8.210 nan 0.000 0.461 387 F N 5.960 125.774 119.950 -0.226 0.000 2.410 387 F HA 0.279 4.807 4.527 0.001 0.000 0.348 387 F C 0.697 176.332 175.800 -0.276 0.000 1.106 387 F CA -0.607 57.257 58.000 -0.226 0.000 1.163 387 F CB 0.760 39.671 39.000 -0.148 0.000 1.129 387 F HN 0.251 nan 8.300 nan 0.000 0.516 388 L N 4.573 125.631 121.223 -0.275 0.000 2.437 388 L HA 0.428 4.768 4.340 0.001 0.000 0.243 388 L C 0.655 177.172 176.870 -0.589 0.000 1.346 388 L CA -0.115 54.297 54.840 -0.714 0.000 1.233 388 L CB -1.501 39.994 42.059 -0.941 0.000 1.436 388 L HN 0.909 nan 8.230 nan 0.000 0.416 389 G N 1.280 110.003 108.800 -0.129 0.000 2.357 389 G HA2 0.135 4.095 3.960 0.001 0.000 0.289 389 G HA3 0.135 4.095 3.960 0.001 0.000 0.289 389 G C -1.298 173.636 174.900 0.057 0.000 1.302 389 G CA -0.889 44.236 45.100 0.042 0.000 0.936 389 G HN 0.098 nan 8.290 nan 0.000 0.513 390 I N 1.916 122.511 120.570 0.041 0.000 2.493 390 I HA 0.288 4.459 4.170 0.001 0.000 0.279 390 I C -2.258 173.844 176.117 -0.025 0.000 1.045 390 I CA -1.552 59.744 61.300 -0.007 0.000 1.106 390 I CB 1.885 39.903 38.000 0.030 0.000 1.216 390 I HN 0.207 nan 8.210 nan 0.000 0.459 391 P HA 0.067 nan 4.420 nan 0.000 0.267 391 P C 0.990 178.268 177.300 -0.037 0.000 1.201 391 P CA -0.027 63.046 63.100 -0.045 0.000 0.775 391 P CB 0.608 32.262 31.700 -0.076 0.000 0.854 392 T N -1.172 113.374 114.554 -0.014 0.000 2.851 392 T HA 0.087 4.437 4.350 0.001 0.000 0.262 392 T C 1.125 175.819 174.700 -0.011 0.000 1.043 392 T CA 0.648 62.744 62.100 -0.008 0.000 1.140 392 T CB -0.788 68.081 68.868 0.001 0.000 0.872 392 T HN 0.531 nan 8.240 nan 0.000 0.446 393 G N 0.546 109.341 108.800 -0.009 0.000 2.448 393 G HA2 0.391 4.351 3.960 0.001 0.000 0.285 393 G HA3 0.391 4.351 3.960 0.001 0.000 0.285 393 G C 0.184 175.077 174.900 -0.012 0.000 1.176 393 G CA -0.627 44.471 45.100 -0.005 0.000 0.852 393 G HN 0.392 nan 8.290 nan 0.000 0.530 394 E N -0.283 119.913 120.200 -0.007 0.000 2.427 394 E HA -0.030 4.321 4.350 0.001 0.000 0.196 394 E C 0.867 177.472 176.600 0.007 0.000 1.028 394 E CA 0.449 56.845 56.400 -0.007 0.000 0.864 394 E CB 0.284 29.982 29.700 -0.003 0.000 0.813 394 E HN 0.327 nan 8.360 nan 0.000 0.514 395 K N 1.738 122.147 120.400 0.015 0.000 2.263 395 K HA 0.310 4.631 4.320 0.001 0.000 0.272 395 K C -1.031 175.593 176.600 0.041 0.000 1.033 395 K CA -0.205 56.102 56.287 0.033 0.000 0.884 395 K CB 0.615 33.135 32.500 0.033 0.000 1.107 395 K HN -0.055 nan 8.250 nan 0.000 0.460 396 I N 4.677 125.285 120.570 0.062 0.000 2.389 396 I HA 0.200 4.370 4.170 0.001 0.000 0.288 396 I C -0.653 175.538 176.117 0.124 0.000 0.999 396 I CA -1.116 60.239 61.300 0.093 0.000 1.129 396 I CB 2.069 40.128 38.000 0.099 0.000 1.288 396 I HN 0.237 nan 8.210 nan 0.000 0.444 397 V N 7.757 127.740 119.914 0.116 0.000 2.311 397 V HA 0.372 4.492 4.120 0.001 0.000 0.275 397 V C 0.254 176.418 176.094 0.117 0.000 1.022 397 V CA -0.391 61.974 62.300 0.108 0.000 0.830 397 V CB 1.259 33.129 31.823 0.078 0.000 1.012 397 V HN 0.476 nan 8.190 nan 0.000 0.452 398 I N 4.507 125.156 120.570 0.130 0.000 2.312 398 I HA 0.283 4.453 4.170 0.001 0.000 0.291 398 I C 0.704 176.878 176.117 0.095 0.000 1.031 398 I CA -0.303 61.064 61.300 0.112 0.000 1.293 398 I CB 0.926 39.003 38.000 0.128 0.000 1.403 398 I HN 0.595 nan 8.210 nan 0.000 0.484 399 E N 5.906 126.149 120.200 0.072 0.000 2.360 399 E HA 0.012 4.363 4.350 0.001 0.000 0.269 399 E C -0.491 176.151 176.600 0.070 0.000 1.022 399 E CA -0.114 56.323 56.400 0.062 0.000 0.887 399 E CB 0.409 30.135 29.700 0.044 0.000 0.990 399 E HN 0.499 nan 8.360 nan 0.000 0.426 400 D N 1.294 121.731 120.400 0.061 0.000 2.723 400 D HA -0.200 4.441 4.640 0.001 0.000 0.236 400 D C -0.955 175.386 176.300 0.069 0.000 1.138 400 D CA 0.742 54.775 54.000 0.054 0.000 0.676 400 D CB -0.906 39.919 40.800 0.042 0.000 1.069 400 D HN 0.078 nan 8.370 nan 0.000 0.430 401 L N 0.481 121.756 121.223 0.087 0.000 2.431 401 L HA 0.514 4.855 4.340 0.001 0.000 0.266 401 L C -0.940 175.992 176.870 0.103 0.000 0.978 401 L CA -0.510 54.393 54.840 0.105 0.000 0.822 401 L CB 2.001 44.154 42.059 0.156 0.000 1.310 401 L HN 0.011 nan 8.230 nan 0.000 0.409 402 N N 4.479 123.237 118.700 0.097 0.000 2.260 402 N HA 0.604 5.345 4.740 0.001 0.000 0.293 402 N C -1.722 173.863 175.510 0.125 0.000 1.058 402 N CA -0.611 52.504 53.050 0.108 0.000 0.824 402 N CB 2.428 40.961 38.487 0.076 0.000 1.551 402 N HN 0.460 nan 8.380 nan 0.000 0.475 403 L N 1.519 122.838 121.223 0.159 0.000 2.341 403 L HA 0.311 4.651 4.340 0.001 0.000 0.278 403 L C 1.245 178.223 176.870 0.179 0.000 1.005 403 L CA -0.251 54.680 54.840 0.151 0.000 0.818 403 L CB 1.943 44.058 42.059 0.093 0.000 1.259 403 L HN 0.649 nan 8.230 nan 0.000 0.418 404 S N 1.009 116.791 115.700 0.135 0.000 2.548 404 S HA 0.126 4.596 4.470 0.001 0.000 0.215 404 S C 1.265 175.944 174.600 0.132 0.000 0.976 404 S CA 0.177 58.448 58.200 0.118 0.000 0.908 404 S CB 0.253 63.501 63.200 0.081 0.000 0.781 404 S HN 0.692 nan 8.310 nan 0.000 0.519 405 A N 2.399 125.300 122.820 0.136 0.000 3.282 405 A HA 0.413 4.734 4.320 0.001 0.000 0.169 405 A C 1.824 179.530 177.584 0.202 0.000 0.727 405 A CA 1.496 53.604 52.037 0.117 0.000 1.213 405 A CB -1.319 17.691 19.000 0.017 0.000 0.810 405 A HN 1.361 nan 8.150 nan 0.000 0.513 406 G N -3.906 105.094 108.800 0.332 0.000 3.845 406 G HA2 0.296 4.257 3.960 0.001 0.000 0.198 406 G HA3 0.296 4.257 3.960 0.001 0.000 0.198 406 G C 0.364 175.528 174.900 0.439 0.000 0.890 406 G CA 1.142 46.460 45.100 0.364 0.000 0.885 406 G HN 1.776 nan 8.290 nan 0.000 0.407 407 T N -0.560 114.148 114.554 0.257 0.000 2.848 407 T HA 0.656 5.007 4.350 0.001 0.000 0.285 407 T C -1.379 173.312 174.700 -0.014 0.000 0.995 407 T CA -0.614 61.603 62.100 0.196 0.000 0.970 407 T CB 2.299 71.231 68.868 0.106 0.000 0.976 407 T HN 0.610 nan 8.240 nan 0.000 0.441 408 V N 5.547 125.433 119.914 -0.046 0.000 2.385 408 V HA 0.447 4.567 4.120 0.001 0.000 0.277 408 V C 0.322 176.409 176.094 -0.010 0.000 1.012 408 V CA -0.840 61.339 62.300 -0.202 0.000 0.832 408 V CB 0.942 32.417 31.823 -0.581 0.000 1.028 408 V HN 0.886 nan 8.190 nan 0.000 0.436 409 R N 1.912 122.426 120.500 0.023 0.000 2.577 409 R HA 0.400 4.741 4.340 0.001 0.000 0.269 409 R C 0.028 176.411 176.300 0.137 0.000 1.084 409 R CA -0.712 55.440 56.100 0.086 0.000 1.163 409 R CB 0.864 31.207 30.300 0.072 0.000 1.100 409 R HN 0.704 nan 8.270 nan 0.000 0.547 410 H N 3.305 122.420 119.070 0.075 0.000 2.690 410 H HA -0.002 4.554 4.556 0.001 0.000 0.289 410 H C 0.496 175.901 175.328 0.128 0.000 1.089 410 H CA -0.327 55.785 56.048 0.106 0.000 1.299 410 H CB 0.385 30.186 29.762 0.065 0.000 1.405 410 H HN 0.659 nan 8.280 nan 0.000 0.463 411 F N 4.763 124.555 119.950 -0.264 0.000 2.037 411 F HA -0.401 4.127 4.527 0.001 0.000 0.296 411 F C 1.478 177.227 175.800 -0.085 0.000 1.132 411 F CA 1.997 59.929 58.000 -0.112 0.000 1.211 411 F CB -0.265 38.719 39.000 -0.027 0.000 0.951 411 F HN 0.534 nan 8.300 nan 0.000 0.503 412 L N 0.394 121.438 121.223 -0.298 0.000 2.012 412 L HA -0.209 4.131 4.340 0.001 0.000 0.210 412 L C 2.822 179.623 176.870 -0.114 0.000 1.073 412 L CA 2.600 57.294 54.840 -0.242 0.000 0.748 412 L CB -1.357 40.742 42.059 0.066 0.000 0.891 412 L HN 0.612 nan 8.230 nan 0.000 0.431 413 T N -4.998 109.667 114.554 0.183 0.000 2.976 413 T HA 0.245 4.595 4.350 0.001 0.000 0.257 413 T C 1.585 176.309 174.700 0.040 0.000 1.051 413 T CA 0.766 62.937 62.100 0.118 0.000 1.141 413 T CB 0.046 68.995 68.868 0.134 0.000 0.881 413 T HN 0.461 nan 8.240 nan 0.000 0.461 414 G N 1.219 110.059 108.800 0.066 0.000 2.176 414 G HA2 -0.204 3.756 3.960 0.001 0.000 0.232 414 G HA3 -0.204 3.756 3.960 0.001 0.000 0.232 414 G C -0.198 174.736 174.900 0.057 0.000 0.986 414 G CA -0.033 45.076 45.100 0.016 0.000 0.643 414 G HN 0.656 nan 8.290 nan 0.000 0.522 415 E N 1.011 121.267 120.200 0.092 0.000 2.406 415 E HA 0.277 4.628 4.350 0.001 0.000 0.258 415 E C 0.866 177.520 176.600 0.089 0.000 1.043 415 E CA -0.392 56.050 56.400 0.069 0.000 0.929 415 E CB 0.554 30.273 29.700 0.032 0.000 0.969 415 E HN 0.383 nan 8.360 nan 0.000 0.462 416 R N 3.236 123.779 120.500 0.072 0.000 2.583 416 R HA 0.020 4.361 4.340 0.001 0.000 0.274 416 R C -0.420 175.942 176.300 0.103 0.000 0.998 416 R CA 0.502 56.654 56.100 0.088 0.000 1.081 416 R CB 0.255 30.601 30.300 0.077 0.000 0.940 416 R HN 0.436 nan 8.270 nan 0.000 0.413 417 L N 1.649 122.955 121.223 0.139 0.000 2.301 417 L HA 0.427 4.767 4.340 0.001 0.000 0.264 417 L C -0.113 176.897 176.870 0.233 0.000 1.016 417 L CA -1.073 53.859 54.840 0.153 0.000 0.821 417 L CB 1.916 44.064 42.059 0.149 0.000 1.346 417 L HN 0.560 nan 8.230 nan 0.000 0.429 418 S N 1.374 117.192 115.700 0.197 0.000 2.430 418 S HA 0.626 5.097 4.470 0.001 0.000 0.289 418 S C -0.777 173.992 174.600 0.282 0.000 1.143 418 S CA -0.534 57.778 58.200 0.186 0.000 1.067 418 S CB -0.179 63.073 63.200 0.087 0.000 0.964 418 S HN 0.393 nan 8.310 nan 0.000 0.485 419 F N 2.025 122.001 119.950 0.044 0.000 2.613 419 F HA 0.827 5.355 4.527 0.001 0.000 0.314 419 F C -0.832 174.994 175.800 0.043 0.000 1.075 419 F CA -1.287 56.743 58.000 0.051 0.000 0.945 419 F CB 1.468 40.505 39.000 0.062 0.000 1.310 419 F HN 0.567 nan 8.300 nan 0.000 0.467 420 K N 1.850 122.298 120.400 0.081 0.000 2.535 420 K HA 0.357 4.677 4.320 0.001 0.000 0.251 420 K C -1.731 174.925 176.600 0.094 0.000 0.942 420 K CA -0.682 55.583 56.287 -0.037 0.000 0.798 420 K CB 1.447 33.928 32.500 -0.032 0.000 1.267 420 K HN 0.754 nan 8.250 nan 0.000 0.434 421 N N 3.362 122.109 118.700 0.077 0.000 2.448 421 N HA 0.114 4.854 4.740 0.001 0.000 0.250 421 N C -0.866 174.680 175.510 0.061 0.000 1.136 421 N CA -0.039 53.074 53.050 0.104 0.000 0.953 421 N CB 1.040 39.587 38.487 0.101 0.000 1.251 421 N HN 0.288 nan 8.380 nan 0.000 0.502 422 V N 1.876 121.829 119.914 0.064 0.000 2.284 422 V HA 0.435 4.556 4.120 0.001 0.000 0.260 422 V C 1.307 177.426 176.094 0.042 0.000 1.084 422 V CA -0.185 62.141 62.300 0.044 0.000 0.894 422 V CB -0.114 31.735 31.823 0.043 0.000 1.119 422 V HN 0.863 nan 8.190 nan 0.000 0.484 423 G N 5.467 114.288 108.800 0.035 0.000 2.523 423 G HA2 -0.314 3.647 3.960 0.001 0.000 0.271 423 G HA3 -0.314 3.647 3.960 0.001 0.000 0.271 423 G C 0.765 175.687 174.900 0.037 0.000 1.146 423 G CA 0.450 45.568 45.100 0.031 0.000 0.961 423 G HN 0.864 nan 8.290 nan 0.000 0.549 424 K N 1.011 121.432 120.400 0.036 0.000 2.444 424 K HA 0.245 4.565 4.320 0.001 0.000 0.193 424 K C 0.467 177.098 176.600 0.052 0.000 1.024 424 K CA 0.682 56.991 56.287 0.038 0.000 1.077 424 K CB 0.079 32.597 32.500 0.029 0.000 0.833 424 K HN 0.342 nan 8.250 nan 0.000 0.517 425 N N 0.924 119.659 118.700 0.060 0.000 2.432 425 N HA 0.374 5.114 4.740 0.001 0.000 0.292 425 N C -1.573 173.996 175.510 0.098 0.000 1.193 425 N CA -0.817 52.278 53.050 0.076 0.000 0.878 425 N CB 1.531 40.060 38.487 0.070 0.000 1.252 425 N HN 0.052 nan 8.380 nan 0.000 0.520 426 L N 0.011 121.306 121.223 0.121 0.000 2.346 426 L HA 0.476 4.817 4.340 0.001 0.000 0.276 426 L C -0.729 176.237 176.870 0.160 0.000 1.006 426 L CA -0.248 54.687 54.840 0.160 0.000 0.817 426 L CB 1.223 43.386 42.059 0.174 0.000 1.272 426 L HN 0.449 nan 8.230 nan 0.000 0.421 427 E N 5.960 126.266 120.200 0.177 0.000 2.199 427 E HA 0.560 4.910 4.350 0.001 0.000 0.265 427 E C -1.279 175.442 176.600 0.201 0.000 0.882 427 E CA -0.477 56.017 56.400 0.156 0.000 0.759 427 E CB 2.401 32.167 29.700 0.111 0.000 1.148 427 E HN 0.492 nan 8.360 nan 0.000 0.412 428 I N 1.283 121.961 120.570 0.180 0.000 2.730 428 I HA 0.334 4.505 4.170 0.001 0.000 0.298 428 I C -0.440 175.750 176.117 0.122 0.000 1.089 428 I CA -0.820 60.593 61.300 0.187 0.000 1.041 428 I CB 2.546 40.655 38.000 0.181 0.000 1.235 428 I HN 0.327 nan 8.210 nan 0.000 0.423 429 T N 4.336 118.957 114.554 0.111 0.000 2.791 429 T HA 0.429 4.779 4.350 0.001 0.000 0.288 429 T C -0.367 174.365 174.700 0.054 0.000 0.999 429 T CA -0.449 61.691 62.100 0.067 0.000 0.952 429 T CB 1.419 70.321 68.868 0.058 0.000 0.938 429 T HN 0.206 nan 8.240 nan 0.000 0.444 430 V N 6.307 126.234 119.914 0.022 0.000 2.313 430 V HA 0.307 4.427 4.120 0.001 0.000 0.278 430 V C -2.326 173.752 176.094 -0.025 0.000 1.017 430 V CA -2.390 59.912 62.300 0.002 0.000 0.823 430 V CB 0.935 32.745 31.823 -0.023 0.000 1.010 430 V HN 0.644 nan 8.190 nan 0.000 0.443 431 P HA 0.028 nan 4.420 nan 0.000 0.260 431 P C 0.777 178.039 177.300 -0.063 0.000 1.185 431 P CA 0.038 63.109 63.100 -0.048 0.000 0.763 431 P CB 0.623 32.289 31.700 -0.058 0.000 0.776 432 K N 5.968 126.343 120.400 -0.042 0.000 2.189 432 K HA -0.258 4.063 4.320 0.001 0.000 0.207 432 K C 1.716 178.288 176.600 -0.046 0.000 1.046 432 K CA 2.135 58.400 56.287 -0.036 0.000 0.928 432 K CB -0.268 32.219 32.500 -0.022 0.000 0.720 432 K HN 0.447 nan 8.250 nan 0.000 0.458 433 K N 0.171 120.538 120.400 -0.056 0.000 2.020 433 K HA -0.199 4.121 4.320 0.001 0.000 0.212 433 K C 1.983 178.527 176.600 -0.093 0.000 1.050 433 K CA 1.952 58.203 56.287 -0.061 0.000 0.929 433 K CB -0.633 31.829 32.500 -0.064 0.000 0.714 433 K HN 0.136 nan 8.250 nan 0.000 0.443 434 L N 1.056 122.176 121.223 -0.171 0.000 1.976 434 L HA -0.141 4.200 4.340 0.001 0.000 0.209 434 L C 2.741 179.533 176.870 -0.129 0.000 1.071 434 L CA 1.162 55.800 54.840 -0.337 0.000 0.746 434 L CB -0.744 40.916 42.059 -0.666 0.000 0.890 434 L HN 0.158 nan 8.230 nan 0.000 0.432 435 L N -0.130 121.052 121.223 -0.067 0.000 2.197 435 L HA -0.261 4.079 4.340 0.001 0.000 0.215 435 L C 2.276 179.167 176.870 0.034 0.000 1.095 435 L CA 1.244 56.089 54.840 0.007 0.000 0.764 435 L CB -0.396 41.647 42.059 -0.027 0.000 0.897 435 L HN 0.319 nan 8.230 nan 0.000 0.436 436 E N -1.219 118.986 120.200 0.009 0.000 2.481 436 E HA -0.083 4.268 4.350 0.001 0.000 0.195 436 E C 1.711 178.340 176.600 0.048 0.000 1.047 436 E CA 0.915 57.331 56.400 0.025 0.000 0.867 436 E CB 0.275 29.978 29.700 0.005 0.000 0.858 436 E HN 0.491 nan 8.360 nan 0.000 0.513 437 T N -1.119 113.474 114.554 0.065 0.000 3.051 437 T HA 0.058 4.408 4.350 0.001 0.000 0.255 437 T C 0.572 175.373 174.700 0.168 0.000 1.085 437 T CA -0.235 61.920 62.100 0.092 0.000 1.109 437 T CB 0.168 69.079 68.868 0.072 0.000 0.921 437 T HN -0.077 nan 8.240 nan 0.000 0.488 438 D N 1.638 122.185 120.400 0.246 0.000 2.382 438 D HA 0.194 4.835 4.640 0.001 0.000 0.240 438 D C 0.999 177.487 176.300 0.313 0.000 1.146 438 D CA 0.107 54.324 54.000 0.361 0.000 0.897 438 D CB 1.737 42.729 40.800 0.320 0.000 1.197 438 D HN 0.128 nan 8.370 nan 0.000 0.432 439 S N 0.911 116.889 115.700 0.464 0.000 2.357 439 S HA 0.090 4.560 4.470 0.001 0.000 0.209 439 S C 1.678 176.469 174.600 0.318 0.000 1.023 439 S CA 0.231 58.655 58.200 0.373 0.000 0.933 439 S CB 0.116 63.576 63.200 0.435 0.000 0.897 439 S HN 0.478 nan 8.310 nan 0.000 0.529 440 I N 0.966 121.778 120.570 0.402 0.000 4.139 440 I HA 0.196 4.367 4.170 0.001 0.000 0.320 440 I C 0.038 176.281 176.117 0.210 0.000 1.290 440 I CA 0.172 61.602 61.300 0.217 0.000 1.253 440 I CB 0.917 38.942 38.000 0.040 0.000 1.122 440 I HN 0.348 nan 8.210 nan 0.000 0.421 441 T N -0.176 114.488 114.554 0.184 0.000 2.893 441 T HA 0.576 4.927 4.350 0.001 0.000 0.293 441 T C -0.854 173.826 174.700 -0.032 0.000 1.027 441 T CA -0.702 61.439 62.100 0.068 0.000 0.988 441 T CB 2.562 71.445 68.868 0.025 0.000 1.043 441 T HN -0.013 nan 8.240 nan 0.000 0.461 442 L N 3.235 124.460 121.223 0.003 0.000 2.290 442 L HA 0.743 5.084 4.340 0.001 0.000 0.284 442 L C -1.062 175.821 176.870 0.022 0.000 1.078 442 L CA -0.247 54.557 54.840 -0.060 0.000 0.815 442 L CB 0.718 42.560 42.059 -0.363 0.000 1.162 442 L HN 0.634 nan 8.230 nan 0.000 0.435 443 V N 6.671 126.580 119.914 -0.008 0.000 2.487 443 V HA 0.492 4.612 4.120 0.001 0.000 0.298 443 V C 0.209 176.357 176.094 0.090 0.000 1.028 443 V CA -0.511 61.802 62.300 0.020 0.000 0.860 443 V CB 1.468 33.182 31.823 -0.181 0.000 0.991 443 V HN 0.779 nan 8.190 nan 0.000 0.427 444 L N 3.092 124.419 121.223 0.173 0.000 2.299 444 L HA 0.777 5.118 4.340 0.001 0.000 0.268 444 L C -0.180 176.801 176.870 0.185 0.000 1.012 444 L CA -0.655 54.285 54.840 0.167 0.000 0.816 444 L CB 1.787 43.965 42.059 0.198 0.000 1.355 444 L HN 0.715 nan 8.230 nan 0.000 0.457 445 E N 0.482 120.752 120.200 0.118 0.000 2.334 445 E HA 0.528 4.878 4.350 0.001 0.000 0.280 445 E C -1.678 174.870 176.600 -0.087 0.000 0.899 445 E CA -0.512 55.917 56.400 0.047 0.000 0.813 445 E CB 1.730 31.556 29.700 0.210 0.000 1.318 445 E HN 0.666 nan 8.360 nan 0.000 0.399 446 A N 2.727 125.427 122.820 -0.200 0.000 2.286 446 A HA 0.684 5.004 4.320 0.001 0.000 0.286 446 A C -0.570 176.888 177.584 -0.210 0.000 1.097 446 A CA -0.520 51.376 52.037 -0.235 0.000 0.821 446 A CB 1.238 20.061 19.000 -0.295 0.000 1.076 446 A HN 0.393 nan 8.150 nan 0.000 0.490 447 V N 2.612 122.441 119.914 -0.141 0.000 2.498 447 V HA 0.303 4.423 4.120 0.001 0.000 0.283 447 V C -0.203 175.864 176.094 -0.046 0.000 1.015 447 V CA -0.568 61.674 62.300 -0.097 0.000 0.867 447 V CB 0.588 32.377 31.823 -0.056 0.000 1.025 447 V HN 1.087 nan 8.190 nan 0.000 0.441 448 E N 0.000 120.175 120.200 -0.041 0.000 2.725 448 E HA 0.000 4.351 4.350 0.001 0.000 0.291 448 E CA 0.000 56.403 56.400 0.005 0.000 0.976 448 E CB 0.000 29.714 29.700 0.023 0.000 0.812 448 E HN 0.000 nan 8.360 nan 0.000 0.440