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 2zx6_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 0.000 176.136 176.300 -0.273 0.000 0.893 7 R CA 0.000 55.965 56.100 -0.225 0.000 0.921 7 R CB 0.000 30.246 30.300 -0.089 0.000 0.687 8 Y N 2.131 122.432 120.300 0.003 0.000 2.359 8 Y HA 0.275 4.825 4.550 0.001 0.000 0.330 8 Y C 1.218 177.106 175.900 -0.020 0.000 1.143 8 Y CA 0.237 58.334 58.100 -0.004 0.000 1.318 8 Y CB 0.833 39.317 38.460 0.041 0.000 1.234 8 Y HN 0.117 nan 8.280 nan 0.000 0.522 9 K N 4.560 125.008 120.400 0.079 0.000 2.095 9 K HA 0.287 4.607 4.320 0.001 0.000 0.252 9 K C -2.378 174.173 176.600 -0.082 0.000 0.977 9 K CA -2.008 54.276 56.287 -0.005 0.000 0.900 9 K CB 0.711 33.189 32.500 -0.036 0.000 1.060 9 K HN 0.332 nan 8.250 nan 0.000 0.449 10 P HA -0.038 nan 4.420 nan 0.000 0.232 10 P C -1.421 175.534 177.300 -0.576 0.000 1.738 10 P CA 0.380 63.214 63.100 -0.442 0.000 0.948 10 P CB -0.372 30.969 31.700 -0.598 0.000 1.943 11 D N -1.088 119.048 120.400 -0.440 0.000 2.753 11 D HA 0.047 4.688 4.640 0.001 0.000 0.224 11 D C 0.376 176.479 176.300 -0.329 0.000 1.213 11 D CA -0.831 52.866 54.000 -0.506 0.000 0.833 11 D CB 0.390 41.015 40.800 -0.291 0.000 1.607 11 D HN 0.019 nan 8.370 nan 0.000 0.463 12 W N 1.174 122.418 121.300 -0.094 0.000 2.305 12 W HA -0.166 4.495 4.660 0.000 0.000 0.308 12 W C 2.315 178.804 176.519 -0.049 0.000 1.226 12 W CA 0.952 58.259 57.345 -0.063 0.000 1.253 12 W CB -0.100 29.343 29.460 -0.029 0.000 1.146 12 W HN 0.599 nan 8.180 nan 0.000 0.507 13 E N 0.317 120.612 120.200 0.158 0.000 2.051 13 E HA -0.262 4.088 4.350 0.001 0.000 0.192 13 E C 2.371 179.004 176.600 0.055 0.000 0.991 13 E CA 1.741 58.194 56.400 0.089 0.000 0.799 13 E CB -0.326 29.405 29.700 0.052 0.000 0.748 13 E HN 0.123 nan 8.360 nan 0.000 0.449 14 S N -0.022 115.694 115.700 0.027 0.000 2.355 14 S HA -0.095 4.376 4.470 0.001 0.000 0.222 14 S C 2.034 176.683 174.600 0.082 0.000 1.031 14 S CA 0.799 59.024 58.200 0.041 0.000 0.993 14 S CB -0.260 62.948 63.200 0.013 0.000 0.859 14 S HN 0.296 nan 8.310 nan 0.000 0.453 15 L N 1.449 122.678 121.223 0.009 0.000 2.191 15 L HA -0.047 4.293 4.340 0.001 0.000 0.212 15 L C 2.714 179.490 176.870 -0.157 0.000 1.103 15 L CA 1.489 56.244 54.840 -0.142 0.000 0.769 15 L CB -0.500 41.377 42.059 -0.304 0.000 0.908 15 L HN 0.409 nan 8.230 nan 0.000 0.438 16 R N 0.848 121.363 120.500 0.025 0.000 2.200 16 R HA -0.204 4.137 4.340 0.001 0.000 0.234 16 R C 1.801 178.127 176.300 0.042 0.000 1.127 16 R CA 1.384 57.532 56.100 0.079 0.000 0.989 16 R CB -0.210 30.118 30.300 0.047 0.000 0.869 16 R HN 0.405 nan 8.270 nan 0.000 0.459 17 E N -0.129 120.111 120.200 0.066 0.000 2.267 17 E HA -0.189 4.161 4.350 0.001 0.000 0.197 17 E C 0.104 176.747 176.600 0.073 0.000 0.998 17 E CA 0.552 57.005 56.400 0.089 0.000 0.830 17 E CB -0.168 29.631 29.700 0.165 0.000 0.751 17 E HN 0.403 nan 8.360 nan 0.000 0.491 18 H N 1.206 120.198 119.070 -0.129 0.000 2.604 18 H HA 0.120 4.676 4.556 0.001 0.000 0.306 18 H C -0.382 174.796 175.328 -0.250 0.000 1.075 18 H CA 0.187 56.008 56.048 -0.379 0.000 1.357 18 H CB 0.546 29.578 29.762 -1.217 0.000 1.426 18 H HN -0.037 nan 8.280 nan 0.000 0.470 19 T N 0.990 115.167 114.554 -0.628 0.000 2.927 19 T HA 0.236 4.587 4.350 0.001 0.000 0.286 19 T C 0.157 174.609 174.700 -0.412 0.000 1.040 19 T CA -0.962 60.917 62.100 -0.368 0.000 1.010 19 T CB 1.438 70.177 68.868 -0.216 0.000 1.177 19 T HN 0.355 nan 8.240 nan 0.000 0.546 20 V N 3.944 123.751 119.914 -0.178 0.000 2.557 20 V HA 0.223 4.344 4.120 0.001 0.000 0.301 20 V C -1.841 174.125 176.094 -0.213 0.000 1.026 20 V CA -1.319 60.900 62.300 -0.136 0.000 1.137 20 V CB -0.088 31.741 31.823 0.010 0.000 0.917 20 V HN 0.818 nan 8.190 nan 0.000 0.484 21 P HA 0.119 nan 4.420 nan 0.000 0.269 21 P C 0.480 177.627 177.300 -0.255 0.000 1.215 21 P CA -0.231 62.715 63.100 -0.256 0.000 0.780 21 P CB 0.667 32.237 31.700 -0.217 0.000 0.898 22 K N 1.479 121.827 120.400 -0.087 0.000 2.059 22 K HA -0.160 4.160 4.320 0.001 0.000 0.212 22 K C 2.077 178.683 176.600 0.011 0.000 1.050 22 K CA 2.200 58.481 56.287 -0.010 0.000 0.927 22 K CB -0.481 32.060 32.500 0.069 0.000 0.714 22 K HN 0.717 nan 8.250 nan 0.000 0.447 23 W N 0.569 121.910 121.300 0.069 0.000 2.342 23 W HA -0.216 4.445 4.660 0.001 0.000 0.297 23 W C 1.699 178.244 176.519 0.044 0.000 1.213 23 W CA 0.460 57.843 57.345 0.063 0.000 1.251 23 W CB -1.065 28.439 29.460 0.074 0.000 1.136 23 W HN -0.029 nan 8.180 nan 0.000 0.526 24 F N 2.610 121.836 119.950 -1.207 0.000 2.163 24 F HA -0.141 4.386 4.527 0.001 0.000 0.297 24 F C 2.439 177.939 175.800 -0.500 0.000 1.094 24 F CA 2.330 59.577 58.000 -1.255 0.000 1.290 24 F CB -0.778 37.259 39.000 -1.605 0.000 1.017 24 F HN -0.254 nan 8.300 nan 0.000 0.483 25 D N 0.552 120.825 120.400 -0.211 0.000 2.149 25 D HA -0.191 4.449 4.640 0.001 0.000 0.198 25 D C 1.905 178.144 176.300 -0.101 0.000 0.990 25 D CA 1.362 55.293 54.000 -0.115 0.000 0.839 25 D CB -0.030 40.760 40.800 -0.015 0.000 0.948 25 D HN 0.369 nan 8.370 nan 0.000 0.460 26 K N 0.028 120.411 120.400 -0.030 0.000 2.296 26 K HA 0.103 4.423 4.320 0.001 0.000 0.200 26 K C 2.099 178.771 176.600 0.121 0.000 1.048 26 K CA 0.615 56.940 56.287 0.063 0.000 0.966 26 K CB 0.149 32.717 32.500 0.113 0.000 0.754 26 K HN 0.008 nan 8.250 nan 0.000 0.466 27 A N 1.919 124.791 122.820 0.085 0.000 1.933 27 A HA -0.215 4.106 4.320 0.001 0.000 0.218 27 A C 0.953 178.684 177.584 0.244 0.000 1.175 27 A CA 1.608 53.778 52.037 0.221 0.000 0.628 27 A CB -0.086 19.074 19.000 0.267 0.000 0.814 27 A HN 0.178 nan 8.150 nan 0.000 0.444 28 K N -3.501 116.915 120.400 0.027 0.000 3.599 28 K HA -0.254 4.066 4.320 0.001 0.000 0.317 28 K C 0.109 176.776 176.600 0.111 0.000 0.781 28 K CA 2.163 58.452 56.287 0.004 0.000 1.375 28 K CB -1.928 30.564 32.500 -0.013 0.000 1.412 28 K HN 0.754 nan 8.250 nan 0.000 0.455 29 F N -0.112 119.843 119.950 0.008 0.000 2.585 29 F HA 0.539 5.067 4.527 0.001 0.000 0.319 29 F C 0.091 175.699 175.800 -0.320 0.000 1.165 29 F CA -0.242 57.694 58.000 -0.107 0.000 0.949 29 F CB 2.056 41.027 39.000 -0.048 0.000 1.218 29 F HN 0.051 nan 8.300 nan 0.000 0.453 30 G N 5.928 114.145 108.800 -0.970 0.000 2.605 30 G HA2 0.614 4.575 3.960 0.001 0.000 0.296 30 G HA3 0.614 4.575 3.960 0.001 0.000 0.296 30 G C -1.876 172.362 174.900 -1.103 0.000 1.304 30 G CA -0.798 43.310 45.100 -1.654 0.000 0.941 30 G HN 0.450 nan 8.290 nan 0.000 0.475 31 I N 1.084 121.108 120.570 -0.910 0.000 2.354 31 I HA 0.392 4.562 4.170 0.001 0.000 0.292 31 I C -0.849 175.030 176.117 -0.396 0.000 0.989 31 I CA -0.961 59.943 61.300 -0.659 0.000 1.188 31 I CB 1.309 38.721 38.000 -0.981 0.000 1.342 31 I HN 0.190 nan 8.210 nan 0.000 0.457 32 F N 6.949 126.697 119.950 -0.338 0.000 2.399 32 F HA 0.546 5.074 4.527 0.001 0.000 0.334 32 F C 0.193 175.904 175.800 -0.149 0.000 1.097 32 F CA -1.430 56.449 58.000 -0.201 0.000 1.076 32 F CB 1.124 40.065 39.000 -0.099 0.000 1.162 32 F HN 0.183 nan 8.300 nan 0.000 0.495 33 I N 5.025 125.691 120.570 0.160 0.000 2.476 33 I HA 0.151 4.321 4.170 0.001 0.000 0.281 33 I C -1.253 174.921 176.117 0.094 0.000 1.040 33 I CA -0.664 60.681 61.300 0.074 0.000 1.094 33 I CB 1.385 39.442 38.000 0.094 0.000 1.219 33 I HN 0.384 nan 8.210 nan 0.000 0.450 34 H N 5.077 124.104 119.070 -0.072 0.000 2.690 34 H HA 0.347 4.903 4.556 0.001 0.000 0.289 34 H C -1.386 174.116 175.328 0.289 0.000 1.089 34 H CA -0.219 55.820 56.048 -0.014 0.000 1.299 34 H CB 0.707 30.392 29.762 -0.128 0.000 1.405 34 H HN 0.519 nan 8.280 nan 0.000 0.463 35 W N 3.685 125.038 121.300 0.089 0.000 3.042 35 W HA 0.587 5.248 4.660 0.001 0.000 0.337 35 W C -0.631 175.664 176.519 -0.373 0.000 1.086 35 W CA -0.747 56.563 57.345 -0.057 0.000 1.236 35 W CB 1.500 31.059 29.460 0.165 0.000 1.381 35 W HN 0.698 nan 8.180 nan 0.000 0.472 36 G N 3.737 111.810 108.800 -1.212 0.000 2.561 36 G HA2 0.234 4.195 3.960 0.001 0.000 0.310 36 G HA3 0.234 4.195 3.960 0.001 0.000 0.310 36 G C 0.286 173.962 174.900 -2.041 0.000 1.292 36 G CA -0.201 43.963 45.100 -1.560 0.000 0.811 36 G HN 0.938 nan 8.290 nan 0.000 0.482 37 I N -1.078 118.548 120.570 -1.574 0.000 2.916 37 I HA -0.027 4.143 4.170 0.001 0.000 0.267 37 I C 2.036 177.630 176.117 -0.872 0.000 1.263 37 I CA 1.294 61.838 61.300 -1.260 0.000 1.471 37 I CB -0.454 36.965 38.000 -0.969 0.000 1.089 37 I HN 0.538 nan 8.210 nan 0.000 0.468 38 Y N 0.646 120.693 120.300 -0.421 0.000 2.439 38 Y HA 0.125 4.675 4.550 0.001 0.000 0.292 38 Y C 2.399 178.097 175.900 -0.337 0.000 1.130 38 Y CA 0.552 58.486 58.100 -0.276 0.000 1.254 38 Y CB -1.371 37.103 38.460 0.024 0.000 1.000 38 Y HN 0.056 nan 8.280 nan 0.000 0.554 39 S N 0.342 115.740 115.700 -0.503 0.000 2.442 39 S HA -0.122 4.349 4.470 0.001 0.000 0.236 39 S C 1.999 176.541 174.600 -0.096 0.000 1.007 39 S CA 1.124 59.243 58.200 -0.135 0.000 0.965 39 S CB -0.526 62.597 63.200 -0.128 0.000 0.773 39 S HN 0.384 nan 8.310 nan 0.000 0.504 40 V N 3.016 122.713 119.914 -0.361 0.000 2.239 40 V HA -0.084 4.037 4.120 0.001 0.000 0.242 40 V C -0.298 175.637 176.094 -0.264 0.000 1.038 40 V CA 1.503 63.658 62.300 -0.242 0.000 1.002 40 V CB -1.797 29.877 31.823 -0.247 0.000 0.641 40 V HN 0.341 nan 8.190 nan 0.000 0.449 41 P HA -0.094 nan 4.420 nan 0.000 0.220 41 P C 1.239 178.561 177.300 0.038 0.000 1.148 41 P CA 1.748 64.643 63.100 -0.343 0.000 0.803 41 P CB -0.354 30.782 31.700 -0.941 0.000 0.782 42 G N -0.123 108.667 108.800 -0.017 0.000 2.412 42 G HA2 -0.225 3.735 3.960 0.001 0.000 0.297 42 G HA3 -0.225 3.735 3.960 0.001 0.000 0.297 42 G C -0.680 174.200 174.900 -0.034 0.000 0.965 42 G CA 0.217 45.319 45.100 0.004 0.000 1.134 42 G HN 0.442 nan 8.290 nan 0.000 0.511 43 W N -0.059 121.219 121.300 -0.036 0.000 2.839 43 W HA 0.689 5.350 4.660 0.001 0.000 0.334 43 W C -0.318 176.170 176.519 -0.052 0.000 1.064 43 W CA -0.107 57.170 57.345 -0.113 0.000 1.236 43 W CB 1.726 31.058 29.460 -0.213 0.000 1.405 43 W HN 0.826 nan 8.180 nan 0.000 0.478 44 A N 2.376 124.692 122.820 -0.840 0.000 2.604 44 A HA 0.606 4.926 4.320 0.001 0.000 0.295 44 A C -0.545 176.310 177.584 -1.215 0.000 1.067 44 A CA -0.629 50.925 52.037 -0.805 0.000 0.683 44 A CB 1.061 19.844 19.000 -0.362 0.000 1.281 44 A HN 0.656 nan 8.150 nan 0.000 0.407 45 T N 0.975 114.974 114.554 -0.924 0.000 2.737 45 T HA 0.539 4.890 4.350 0.001 0.000 0.296 45 T C -2.343 172.035 174.700 -0.537 0.000 0.922 45 T CA -1.521 60.160 62.100 -0.698 0.000 1.079 45 T CB 0.655 69.275 68.868 -0.413 0.000 0.892 45 T HN 0.358 nan 8.240 nan 0.000 0.514 46 P HA 0.162 nan 4.420 nan 0.000 0.237 46 P C 0.736 177.850 177.300 -0.309 0.000 1.788 46 P CA -0.337 62.475 63.100 -0.481 0.000 1.061 46 P CB -0.002 31.219 31.700 -0.799 0.000 1.967 47 T N 0.033 114.403 114.554 -0.307 0.000 2.777 47 T HA 0.142 4.493 4.350 0.001 0.000 0.266 47 T C 1.124 175.748 174.700 -0.127 0.000 1.040 47 T CA 1.531 63.500 62.100 -0.218 0.000 1.141 47 T CB -0.179 68.519 68.868 -0.284 0.000 0.868 47 T HN 0.547 nan 8.240 nan 0.000 0.444 48 G N -0.006 108.715 108.800 -0.132 0.000 2.333 48 G HA2 0.373 4.334 3.960 0.001 0.000 0.288 48 G HA3 0.373 4.334 3.960 0.001 0.000 0.288 48 G C -2.122 172.766 174.900 -0.019 0.000 1.286 48 G CA -1.011 44.071 45.100 -0.030 0.000 0.865 48 G HN 0.224 nan 8.290 nan 0.000 0.506 49 E N -0.453 119.777 120.200 0.049 0.000 2.277 49 E HA 0.487 4.838 4.350 0.001 0.000 0.274 49 E C -0.332 176.321 176.600 0.088 0.000 1.022 49 E CA -0.768 55.630 56.400 -0.004 0.000 0.853 49 E CB 2.396 32.220 29.700 0.207 0.000 1.086 49 E HN 0.447 nan 8.360 nan 0.000 0.397 50 L N 2.010 123.165 121.223 -0.113 0.000 2.499 50 L HA 0.224 4.565 4.340 0.001 0.000 0.273 50 L C 1.052 177.959 176.870 0.061 0.000 1.195 50 L CA 1.706 56.395 54.840 -0.252 0.000 0.882 50 L CB 0.003 41.892 42.059 -0.284 0.000 1.133 50 L HN 0.830 nan 8.230 nan 0.000 0.483 51 G N 3.295 112.050 108.800 -0.075 0.000 2.259 51 G HA2 -0.226 3.735 3.960 0.001 0.000 0.217 51 G HA3 -0.226 3.735 3.960 0.001 0.000 0.217 51 G C 1.044 175.922 174.900 -0.038 0.000 1.001 51 G CA 0.268 45.387 45.100 0.032 0.000 0.627 51 G HN 0.565 nan 8.290 nan 0.000 0.501 52 K N -0.091 120.309 120.400 0.000 0.000 2.399 52 K HA 0.378 4.698 4.320 0.001 0.000 0.196 52 K C 0.761 177.364 176.600 0.005 0.000 1.103 52 K CA 0.395 56.656 56.287 -0.044 0.000 0.986 52 K CB 1.440 33.909 32.500 -0.052 0.000 0.952 52 K HN 0.302 nan 8.250 nan 0.000 0.541 53 V N 5.406 125.358 119.914 0.063 0.000 2.498 53 V HA 0.125 4.246 4.120 0.001 0.000 0.279 53 V C -2.213 173.927 176.094 0.078 0.000 1.048 53 V CA -1.724 60.639 62.300 0.105 0.000 0.967 53 V CB 0.835 32.810 31.823 0.253 0.000 0.988 53 V HN 0.104 nan 8.190 nan 0.000 0.473 54 P HA 0.077 nan 4.420 nan 0.000 0.263 54 P C 0.670 178.027 177.300 0.095 0.000 1.195 54 P CA -0.156 62.977 63.100 0.056 0.000 0.762 54 P CB 0.559 32.291 31.700 0.054 0.000 0.799 55 M N 1.534 121.173 119.600 0.065 0.000 2.539 55 M HA -0.091 4.389 4.480 0.001 0.000 0.261 55 M C 0.712 177.156 176.300 0.239 0.000 1.069 55 M CA 1.326 56.676 55.300 0.084 0.000 1.081 55 M CB -1.113 31.501 32.600 0.023 0.000 1.412 55 M HN 0.302 nan 8.290 nan 0.000 0.482 56 D N -0.350 120.210 120.400 0.267 0.000 2.349 56 D HA 0.153 4.793 4.640 0.001 0.000 0.224 56 D C 1.599 178.143 176.300 0.406 0.000 1.029 56 D CA 0.547 54.807 54.000 0.432 0.000 0.879 56 D CB 0.402 41.394 40.800 0.320 0.000 0.906 56 D HN 0.333 nan 8.370 nan 0.000 0.528 57 A N -0.274 122.713 122.820 0.278 0.000 2.074 57 A HA 0.024 4.344 4.320 0.001 0.000 0.200 57 A C 1.869 179.562 177.584 0.182 0.000 1.335 57 A CA -0.299 51.889 52.037 0.251 0.000 0.922 57 A CB -0.700 18.363 19.000 0.104 0.000 0.972 57 A HN 0.263 nan 8.150 nan 0.000 0.475 58 W N 0.978 122.191 121.300 -0.145 0.000 2.280 58 W HA -0.323 4.337 4.660 0.001 0.000 0.332 58 W C 1.330 177.503 176.519 -0.576 0.000 1.300 58 W CA 2.386 59.467 57.345 -0.440 0.000 1.274 58 W CB -0.807 28.247 29.460 -0.676 0.000 1.141 58 W HN 0.373 nan 8.180 nan 0.000 0.474 59 F N -0.877 118.983 119.950 -0.150 0.000 2.451 59 F HA -0.110 4.418 4.527 0.001 0.000 0.299 59 F C 2.043 177.533 175.800 -0.517 0.000 1.101 59 F CA 1.012 58.770 58.000 -0.403 0.000 1.436 59 F CB -0.985 37.749 39.000 -0.444 0.000 1.074 59 F HN -0.241 nan 8.300 nan 0.000 0.553 60 F N -0.457 119.434 119.950 -0.097 0.000 2.615 60 F HA 0.036 4.564 4.527 0.001 0.000 0.297 60 F C 0.825 176.551 175.800 -0.122 0.000 1.124 60 F CA 0.611 58.557 58.000 -0.089 0.000 1.451 60 F CB -0.078 38.877 39.000 -0.075 0.000 1.103 60 F HN -0.085 nan 8.300 nan 0.000 0.569 61 Q N 0.015 119.751 119.800 -0.105 0.000 2.903 61 Q HA 0.115 4.455 4.340 0.001 0.000 0.342 61 Q C -0.762 174.943 176.000 -0.491 0.000 0.808 61 Q CA -0.364 55.317 55.803 -0.203 0.000 1.004 61 Q CB 0.318 28.960 28.738 -0.160 0.000 1.470 61 Q HN -0.036 nan 8.270 nan 0.000 0.387 62 N N 3.142 121.510 118.700 -0.553 0.000 2.434 62 N HA 0.024 4.765 4.740 0.001 0.000 0.268 62 N C -1.493 173.605 175.510 -0.687 0.000 1.256 62 N CA -1.077 51.444 53.050 -0.882 0.000 0.914 62 N CB 1.020 39.183 38.487 -0.540 0.000 1.088 62 N HN 0.238 nan 8.380 nan 0.000 0.478 63 P HA -0.045 nan 4.420 nan 0.000 0.236 63 P C -0.309 176.911 177.300 -0.134 0.000 1.177 63 P CA 0.563 63.362 63.100 -0.501 0.000 0.773 63 P CB 0.145 31.535 31.700 -0.516 0.000 0.878 64 Y N 1.082 121.216 120.300 -0.276 0.000 2.613 64 Y HA 0.324 4.874 4.550 0.001 0.000 0.354 64 Y C 1.956 177.903 175.900 0.077 0.000 1.063 64 Y CA -1.465 56.643 58.100 0.013 0.000 1.384 64 Y CB -0.425 38.140 38.460 0.176 0.000 1.199 64 Y HN -0.014 nan 8.280 nan 0.000 0.517 65 A N 2.736 125.635 122.820 0.132 0.000 2.019 65 A HA -0.193 4.128 4.320 0.001 0.000 0.219 65 A C 1.803 179.489 177.584 0.169 0.000 1.164 65 A CA 1.359 53.483 52.037 0.146 0.000 0.644 65 A CB -0.198 18.837 19.000 0.058 0.000 0.805 65 A HN 0.662 nan 8.150 nan 0.000 0.449 66 E N -1.290 118.875 120.200 -0.059 0.000 2.401 66 E HA -0.185 4.165 4.350 0.001 0.000 0.199 66 E C 0.731 177.230 176.600 -0.169 0.000 1.023 66 E CA 0.720 56.680 56.400 -0.734 0.000 0.859 66 E CB -0.489 28.366 29.700 -1.408 0.000 0.780 66 E HN 0.855 nan 8.360 nan 0.000 0.523 67 W N -0.127 121.250 121.300 0.128 0.000 3.388 67 W HA 0.241 4.902 4.660 0.001 0.000 0.324 67 W C 1.196 177.869 176.519 0.257 0.000 1.250 67 W CA -0.886 56.699 57.345 0.399 0.000 1.809 67 W CB -0.698 29.027 29.460 0.442 0.000 1.083 67 W HN 0.118 nan 8.180 nan 0.000 0.685 68 Y N 1.477 121.930 120.300 0.254 0.000 2.062 68 Y HA -0.410 4.140 4.550 0.001 0.000 0.276 68 Y C 2.538 178.445 175.900 0.012 0.000 1.189 68 Y CA 2.648 60.868 58.100 0.200 0.000 1.130 68 Y CB -0.204 38.428 38.460 0.287 0.000 0.959 68 Y HN 0.081 nan 8.280 nan 0.000 0.499 69 E N -0.229 119.969 120.200 -0.004 0.000 2.085 69 E HA -0.307 4.044 4.350 0.001 0.000 0.194 69 E C 2.011 178.323 176.600 -0.480 0.000 0.994 69 E CA 1.455 57.574 56.400 -0.469 0.000 0.801 69 E CB -0.350 28.740 29.700 -1.018 0.000 0.743 69 E HN 0.548 nan 8.360 nan 0.000 0.453 70 N N -0.110 118.152 118.700 -0.731 0.000 2.069 70 N HA -0.138 4.603 4.740 0.001 0.000 0.191 70 N C 1.796 177.137 175.510 -0.281 0.000 1.031 70 N CA 1.989 54.584 53.050 -0.758 0.000 0.852 70 N CB -0.140 37.909 38.487 -0.729 0.000 1.018 70 N HN -0.020 nan 8.380 nan 0.000 0.423 71 S N -0.033 115.607 115.700 -0.100 0.000 2.383 71 S HA -0.124 4.347 4.470 0.001 0.000 0.229 71 S C 1.704 176.259 174.600 -0.075 0.000 1.030 71 S CA 0.823 58.987 58.200 -0.060 0.000 1.002 71 S CB -0.445 62.742 63.200 -0.023 0.000 0.829 71 S HN 0.344 nan 8.310 nan 0.000 0.467 72 L N 1.912 123.054 121.223 -0.134 0.000 2.141 72 L HA 0.044 4.384 4.340 0.001 0.000 0.209 72 L C 2.048 178.956 176.870 0.064 0.000 1.094 72 L CA 1.568 56.377 54.840 -0.053 0.000 0.763 72 L CB -0.411 41.579 42.059 -0.115 0.000 0.908 72 L HN 0.117 nan 8.230 nan 0.000 0.437 73 R N -0.701 119.757 120.500 -0.069 0.000 2.235 73 R HA 0.094 4.435 4.340 0.001 0.000 0.213 73 R C 0.282 176.540 176.300 -0.070 0.000 1.059 73 R CA 0.354 56.410 56.100 -0.074 0.000 0.997 73 R CB -0.202 29.980 30.300 -0.196 0.000 0.884 73 R HN 0.316 nan 8.270 nan 0.000 0.462 74 I N 2.287 122.818 120.570 -0.065 0.000 2.281 74 I HA 0.067 4.238 4.170 0.001 0.000 0.293 74 I C 0.262 176.323 176.117 -0.094 0.000 1.085 74 I CA -0.388 60.869 61.300 -0.072 0.000 1.257 74 I CB 0.714 38.671 38.000 -0.071 0.000 1.430 74 I HN -0.059 nan 8.210 nan 0.000 0.489 75 K N 6.301 126.525 120.400 -0.293 0.000 2.527 75 K HA -0.052 4.269 4.320 0.001 0.000 0.278 75 K C 0.075 176.352 176.600 -0.537 0.000 0.981 75 K CA 0.418 56.214 56.287 -0.819 0.000 1.009 75 K CB 0.297 32.338 32.500 -0.765 0.000 0.895 75 K HN 0.555 nan 8.250 nan 0.000 0.493 76 E N 0.758 120.579 120.200 -0.630 0.000 2.291 76 E HA -0.225 4.125 4.350 0.001 0.000 0.181 76 E C -1.093 175.548 176.600 0.067 0.000 1.480 76 E CA 0.700 57.041 56.400 -0.098 0.000 0.674 76 E CB -1.252 28.340 29.700 -0.179 0.000 1.108 76 E HN 0.618 nan 8.360 nan 0.000 0.357 77 S N -0.996 114.822 115.700 0.196 0.000 2.599 77 S HA 0.624 5.095 4.470 0.001 0.000 0.287 77 S C -2.274 172.466 174.600 0.234 0.000 1.105 77 S CA -1.763 56.554 58.200 0.195 0.000 0.899 77 S CB 2.517 65.819 63.200 0.170 0.000 1.100 77 S HN -0.202 nan 8.310 nan 0.000 0.482 78 P HA -0.101 nan 4.420 nan 0.000 0.216 78 P C 1.396 178.845 177.300 0.248 0.000 1.154 78 P CA 1.791 65.066 63.100 0.293 0.000 0.865 78 P CB -0.291 31.635 31.700 0.377 0.000 0.789 79 T N -2.107 112.605 114.554 0.265 0.000 2.720 79 T HA -0.204 4.146 4.350 0.001 0.000 0.268 79 T C 1.408 176.128 174.700 0.033 0.000 1.037 79 T CA 1.297 63.439 62.100 0.069 0.000 1.144 79 T CB -1.000 67.845 68.868 -0.039 0.000 0.864 79 T HN 0.213 nan 8.240 nan 0.000 0.444 80 W N 2.256 123.538 121.300 -0.030 0.000 2.333 80 W HA -0.127 4.533 4.660 0.001 0.000 0.316 80 W C 2.273 178.816 176.519 0.040 0.000 1.215 80 W CA 1.276 58.626 57.345 0.009 0.000 1.278 80 W CB -0.137 29.328 29.460 0.009 0.000 1.154 80 W HN 0.232 nan 8.180 nan 0.000 0.486 81 E N -0.870 119.486 120.200 0.259 0.000 2.058 81 E HA -0.317 4.033 4.350 0.001 0.000 0.194 81 E C 1.915 178.431 176.600 -0.140 0.000 0.997 81 E CA 1.843 58.290 56.400 0.080 0.000 0.801 81 E CB -1.243 28.573 29.700 0.193 0.000 0.746 81 E HN 0.468 nan 8.360 nan 0.000 0.450 82 Y N 1.338 121.442 120.300 -0.327 0.000 2.128 82 Y HA -0.296 4.255 4.550 0.001 0.000 0.284 82 Y C 2.459 178.116 175.900 -0.405 0.000 1.154 82 Y CA 2.301 60.072 58.100 -0.549 0.000 1.149 82 Y CB -0.559 37.162 38.460 -1.231 0.000 0.976 82 Y HN 0.152 nan 8.280 nan 0.000 0.505 83 H N -0.789 118.073 119.070 -0.346 0.000 2.321 83 H HA -0.145 4.412 4.556 0.001 0.000 0.300 83 H C 2.189 177.310 175.328 -0.344 0.000 1.087 83 H CA 2.534 58.464 56.048 -0.196 0.000 1.319 83 H CB -0.505 29.243 29.762 -0.024 0.000 1.379 83 H HN 0.220 nan 8.280 nan 0.000 0.501 84 V N 0.676 120.314 119.914 -0.460 0.000 2.407 84 V HA -0.233 3.888 4.120 0.001 0.000 0.248 84 V C 2.284 178.114 176.094 -0.440 0.000 1.055 84 V CA 2.172 64.168 62.300 -0.508 0.000 1.049 84 V CB -0.376 30.978 31.823 -0.780 0.000 0.662 84 V HN 0.411 nan 8.190 nan 0.000 0.455 85 K N -0.475 119.652 120.400 -0.455 0.000 2.057 85 K HA -0.114 4.207 4.320 0.001 0.000 0.206 85 K C 2.181 178.465 176.600 -0.526 0.000 1.050 85 K CA 1.846 57.890 56.287 -0.406 0.000 0.935 85 K CB -0.291 31.996 32.500 -0.355 0.000 0.715 85 K HN 0.471 nan 8.250 nan 0.000 0.439 86 T N -0.656 113.417 114.554 -0.803 0.000 2.937 86 T HA -0.030 4.320 4.350 0.001 0.000 0.260 86 T C 1.175 175.226 174.700 -1.080 0.000 1.051 86 T CA 1.033 62.514 62.100 -1.032 0.000 1.141 86 T CB -0.049 67.890 68.868 -1.549 0.000 0.879 86 T HN 0.227 nan 8.240 nan 0.000 0.459 87 Y N 0.465 120.349 120.300 -0.692 0.000 2.467 87 Y HA 0.471 5.021 4.550 0.001 0.000 0.259 87 Y C 1.401 177.054 175.900 -0.412 0.000 1.084 87 Y CA -0.043 57.624 58.100 -0.722 0.000 1.275 87 Y CB 0.820 38.424 38.460 -1.426 0.000 1.208 87 Y HN 0.354 nan 8.280 nan 0.000 0.511 88 G N 0.959 109.595 108.800 -0.272 0.000 2.662 88 G HA2 -0.198 3.763 3.960 0.001 0.000 0.686 88 G HA3 -0.198 3.763 3.960 0.001 0.000 0.686 88 G C 0.065 174.940 174.900 -0.043 0.000 1.271 88 G CA -0.237 44.788 45.100 -0.124 0.000 0.816 88 G HN 0.213 nan 8.290 nan 0.000 0.608 89 E N -0.159 120.029 120.200 -0.020 0.000 2.152 89 E HA -0.101 4.249 4.350 0.001 0.000 0.192 89 E C 1.893 178.566 176.600 0.122 0.000 0.983 89 E CA 0.865 57.292 56.400 0.045 0.000 0.818 89 E CB 0.056 29.784 29.700 0.045 0.000 0.758 89 E HN 0.365 nan 8.360 nan 0.000 0.467 90 N N 0.053 118.812 118.700 0.099 0.000 2.466 90 N HA -0.062 4.679 4.740 0.001 0.000 0.211 90 N C -1.148 174.426 175.510 0.107 0.000 1.256 90 N CA 0.123 53.221 53.050 0.080 0.000 0.840 90 N CB -0.310 38.200 38.487 0.038 0.000 1.079 90 N HN 0.005 nan 8.380 nan 0.000 0.466 91 F N 0.951 120.915 119.950 0.024 0.000 2.443 91 F HA 0.318 4.846 4.527 0.001 0.000 0.369 91 F C -0.489 175.345 175.800 0.057 0.000 1.090 91 F CA -1.167 56.827 58.000 -0.010 0.000 1.129 91 F CB 0.518 39.483 39.000 -0.059 0.000 1.367 91 F HN -0.084 nan 8.300 nan 0.000 0.465 92 E N 3.533 123.790 120.200 0.096 0.000 2.383 92 E HA -0.024 4.327 4.350 0.001 0.000 0.264 92 E C 0.453 177.143 176.600 0.151 0.000 1.050 92 E CA -0.166 56.310 56.400 0.126 0.000 0.896 92 E CB 0.403 30.117 29.700 0.024 0.000 0.982 92 E HN 0.685 nan 8.360 nan 0.000 0.424 93 Y N 2.101 122.482 120.300 0.135 0.000 2.139 93 Y HA -0.319 4.232 4.550 0.001 0.000 0.282 93 Y C 1.367 177.415 175.900 0.246 0.000 1.179 93 Y CA 2.338 60.598 58.100 0.267 0.000 1.161 93 Y CB 0.001 38.645 38.460 0.307 0.000 0.970 93 Y HN 0.576 nan 8.280 nan 0.000 0.511 94 E N 0.421 120.708 120.200 0.145 0.000 2.160 94 E HA -0.223 4.128 4.350 0.001 0.000 0.195 94 E C 2.032 178.619 176.600 -0.022 0.000 0.991 94 E CA 1.449 57.929 56.400 0.133 0.000 0.810 94 E CB -0.354 29.392 29.700 0.077 0.000 0.742 94 E HN 0.447 nan 8.360 nan 0.000 0.466 95 K N -0.080 120.188 120.400 -0.220 0.000 2.218 95 K HA -0.140 4.180 4.320 0.001 0.000 0.205 95 K C 1.387 177.813 176.600 -0.291 0.000 1.046 95 K CA 0.995 57.041 56.287 -0.401 0.000 0.933 95 K CB -0.227 31.693 32.500 -0.967 0.000 0.728 95 K HN 0.181 nan 8.250 nan 0.000 0.454 96 F N 0.284 120.133 119.950 -0.168 0.000 2.365 96 F HA -0.134 4.394 4.527 0.001 0.000 0.300 96 F C 2.265 177.873 175.800 -0.320 0.000 1.090 96 F CA 0.427 58.278 58.000 -0.248 0.000 1.408 96 F CB -0.101 38.612 39.000 -0.478 0.000 1.060 96 F HN 0.117 nan 8.300 nan 0.000 0.534 97 A N -0.173 122.530 122.820 -0.195 0.000 2.019 97 A HA -0.182 4.138 4.320 0.001 0.000 0.219 97 A C 1.879 179.381 177.584 -0.136 0.000 1.164 97 A CA 1.916 53.733 52.037 -0.368 0.000 0.644 97 A CB -0.490 18.329 19.000 -0.302 0.000 0.805 97 A HN 0.259 nan 8.150 nan 0.000 0.449 98 D N -0.291 120.070 120.400 -0.065 0.000 2.213 98 D HA 0.028 4.668 4.640 0.001 0.000 0.205 98 D C 1.729 178.026 176.300 -0.004 0.000 0.961 98 D CA 0.634 54.612 54.000 -0.037 0.000 0.853 98 D CB -0.072 40.697 40.800 -0.052 0.000 0.967 98 D HN 0.444 nan 8.370 nan 0.000 0.496 99 L N 0.179 121.429 121.223 0.045 0.000 2.492 99 L HA 0.019 4.360 4.340 0.001 0.000 0.223 99 L C 0.774 177.723 176.870 0.132 0.000 1.132 99 L CA -0.112 54.794 54.840 0.110 0.000 0.850 99 L CB -0.091 42.097 42.059 0.215 0.000 0.966 99 L HN -0.090 nan 8.230 nan 0.000 0.454 100 F N 2.084 121.949 119.950 -0.142 0.000 2.600 100 F HA 0.067 4.595 4.527 0.001 0.000 0.345 100 F C 1.422 177.116 175.800 -0.178 0.000 1.271 100 F CA -0.598 57.264 58.000 -0.229 0.000 1.138 100 F CB -0.188 38.543 39.000 -0.449 0.000 1.449 100 F HN -0.060 nan 8.300 nan 0.000 0.645 101 T N 1.561 116.042 114.554 -0.122 0.000 3.022 101 T HA 0.345 4.695 4.350 0.001 0.000 0.250 101 T C 1.290 175.868 174.700 -0.203 0.000 1.060 101 T CA 0.305 62.288 62.100 -0.195 0.000 1.013 101 T CB -0.273 68.563 68.868 -0.054 0.000 0.982 101 T HN 1.049 nan 8.240 nan 0.000 0.508 102 A N 1.690 124.429 122.820 -0.137 0.000 2.704 102 A HA -0.263 4.058 4.320 0.001 0.000 0.299 102 A C 1.325 178.980 177.584 0.118 0.000 1.507 102 A CA 1.527 53.590 52.037 0.042 0.000 0.776 102 A CB -2.497 16.378 19.000 -0.209 0.000 1.027 102 A HN 0.785 nan 8.150 nan 0.000 0.475 103 E N -0.009 120.249 120.200 0.096 0.000 2.118 103 E HA -0.155 4.196 4.350 0.001 0.000 0.195 103 E C 1.468 178.130 176.600 0.104 0.000 0.992 103 E CA 2.114 58.563 56.400 0.082 0.000 0.804 103 E CB -0.119 29.623 29.700 0.069 0.000 0.741 103 E HN 0.730 nan 8.360 nan 0.000 0.458 104 K N -0.938 119.546 120.400 0.140 0.000 2.397 104 K HA 0.107 4.427 4.320 0.001 0.000 0.202 104 K C -0.883 175.803 176.600 0.143 0.000 1.022 104 K CA -0.450 55.908 56.287 0.118 0.000 1.141 104 K CB 0.080 32.645 32.500 0.108 0.000 0.857 104 K HN 0.150 nan 8.250 nan 0.000 0.514 105 W N 2.391 123.655 121.300 -0.061 0.000 2.264 105 W HA -0.004 4.656 4.660 0.001 0.000 0.331 105 W C -0.276 176.087 176.519 -0.260 0.000 1.364 105 W CA 0.082 57.295 57.345 -0.219 0.000 1.253 105 W CB 0.439 29.798 29.460 -0.168 0.000 1.215 105 W HN 0.009 nan 8.180 nan 0.000 0.561 106 D N 8.682 128.550 120.400 -0.886 0.000 2.336 106 D HA 0.140 4.781 4.640 0.001 0.000 0.248 106 D C -1.539 174.031 176.300 -1.218 0.000 1.326 106 D CA -1.651 51.848 54.000 -0.836 0.000 0.973 106 D CB 1.869 42.429 40.800 -0.401 0.000 1.255 106 D HN 0.116 nan 8.370 nan 0.000 0.558 107 P HA -0.195 nan 4.420 nan 0.000 0.217 107 P C 1.201 178.214 177.300 -0.477 0.000 1.148 107 P CA 1.141 63.543 63.100 -1.162 0.000 0.828 107 P CB 0.630 31.672 31.700 -1.096 0.000 0.783 108 Q N -0.197 119.365 119.800 -0.396 0.000 2.172 108 Q HA -0.125 4.215 4.340 0.001 0.000 0.200 108 Q C 2.290 178.180 176.000 -0.183 0.000 0.964 108 Q CA 1.115 56.787 55.803 -0.218 0.000 0.855 108 Q CB -0.272 28.358 28.738 -0.179 0.000 0.918 108 Q HN 0.436 nan 8.270 nan 0.000 0.444 109 E N -0.315 119.758 120.200 -0.212 0.000 2.077 109 E HA -0.195 4.155 4.350 0.001 0.000 0.193 109 E C 1.566 178.092 176.600 -0.124 0.000 0.989 109 E CA 0.882 57.201 56.400 -0.135 0.000 0.800 109 E CB -0.066 29.573 29.700 -0.102 0.000 0.746 109 E HN 0.395 nan 8.360 nan 0.000 0.452 110 W N 0.920 121.941 121.300 -0.465 0.000 2.333 110 W HA -0.115 4.545 4.660 0.001 0.000 0.316 110 W C 2.605 178.491 176.519 -1.055 0.000 1.215 110 W CA 1.173 58.056 57.345 -0.769 0.000 1.278 110 W CB -1.124 28.070 29.460 -0.443 0.000 1.154 110 W HN 0.083 nan 8.180 nan 0.000 0.486 111 A N -0.314 122.368 122.820 -0.230 0.000 1.972 111 A HA -0.254 4.067 4.320 0.001 0.000 0.219 111 A C 1.744 179.264 177.584 -0.107 0.000 1.169 111 A CA 2.273 54.269 52.037 -0.068 0.000 0.635 111 A CB -1.053 17.981 19.000 0.056 0.000 0.810 111 A HN 0.332 nan 8.150 nan 0.000 0.446 112 D N -0.553 119.762 120.400 -0.141 0.000 2.097 112 D HA -0.159 4.482 4.640 0.001 0.000 0.195 112 D C 1.794 178.033 176.300 -0.103 0.000 0.989 112 D CA 1.400 55.345 54.000 -0.092 0.000 0.827 112 D CB -0.202 40.546 40.800 -0.086 0.000 0.966 112 D HN 0.260 nan 8.370 nan 0.000 0.456 113 L N -0.324 120.768 121.223 -0.218 0.000 2.042 113 L HA -0.087 4.253 4.340 0.001 0.000 0.210 113 L C 1.998 178.841 176.870 -0.044 0.000 1.076 113 L CA 1.725 56.451 54.840 -0.190 0.000 0.749 113 L CB -0.924 40.938 42.059 -0.329 0.000 0.893 113 L HN 0.185 nan 8.230 nan 0.000 0.432 114 F N -0.289 119.656 119.950 -0.008 0.000 2.186 114 F HA -0.164 4.364 4.527 0.001 0.000 0.299 114 F C 2.581 178.375 175.800 -0.011 0.000 1.090 114 F CA 1.048 59.027 58.000 -0.035 0.000 1.307 114 F CB -0.353 38.616 39.000 -0.052 0.000 1.019 114 F HN 0.097 nan 8.300 nan 0.000 0.489 115 K N 1.282 121.784 120.400 0.170 0.000 2.057 115 K HA -0.173 4.148 4.320 0.001 0.000 0.206 115 K C 1.929 178.595 176.600 0.111 0.000 1.050 115 K CA 1.293 57.647 56.287 0.112 0.000 0.935 115 K CB -0.037 32.504 32.500 0.067 0.000 0.715 115 K HN 0.103 nan 8.250 nan 0.000 0.439 116 K N 0.016 120.470 120.400 0.089 0.000 2.097 116 K HA -0.098 4.223 4.320 0.001 0.000 0.206 116 K C 1.925 178.612 176.600 0.146 0.000 1.049 116 K CA 1.289 57.630 56.287 0.089 0.000 0.933 116 K CB -0.115 32.417 32.500 0.053 0.000 0.717 116 K HN 0.214 nan 8.250 nan 0.000 0.442 117 A N 0.096 123.030 122.820 0.191 0.000 2.172 117 A HA 0.038 4.358 4.320 0.001 0.000 0.216 117 A C 1.479 179.321 177.584 0.430 0.000 1.154 117 A CA 1.282 53.489 52.037 0.282 0.000 0.701 117 A CB -0.534 18.657 19.000 0.318 0.000 0.789 117 A HN 0.466 nan 8.150 nan 0.000 0.465 118 G N -2.511 106.503 108.800 0.356 0.000 2.131 118 G HA2 0.132 4.092 3.960 0.001 0.000 0.223 118 G HA3 0.132 4.092 3.960 0.001 0.000 0.223 118 G C 0.326 175.520 174.900 0.490 0.000 0.990 118 G CA 0.295 45.673 45.100 0.464 0.000 0.671 118 G HN 1.568 nan 8.290 nan 0.000 0.521 119 A N -0.241 122.622 122.820 0.071 0.000 2.371 119 A HA 0.717 5.038 4.320 0.001 0.000 0.257 119 A C 1.191 178.709 177.584 -0.109 0.000 1.089 119 A CA 0.357 52.108 52.037 -0.476 0.000 0.794 119 A CB 0.490 18.990 19.000 -0.835 0.000 1.029 119 A HN 0.186 nan 8.150 nan 0.000 0.488 120 K N 0.180 120.546 120.400 -0.058 0.000 2.355 120 K HA 0.165 4.486 4.320 0.001 0.000 0.198 120 K C -0.922 175.823 176.600 0.243 0.000 1.039 120 K CA 0.507 56.875 56.287 0.136 0.000 1.075 120 K CB 0.300 32.950 32.500 0.250 0.000 0.870 120 K HN 0.807 nan 8.250 nan 0.000 0.540 121 Y N -3.045 117.243 120.300 -0.020 0.000 2.609 121 Y HA 0.623 5.173 4.550 0.001 0.000 0.336 121 Y C -0.943 174.923 175.900 -0.057 0.000 1.129 121 Y CA -1.497 56.621 58.100 0.031 0.000 1.040 121 Y CB 1.213 39.785 38.460 0.187 0.000 1.310 121 Y HN -0.344 nan 8.280 nan 0.000 0.460 122 V N 3.607 123.593 119.914 0.120 0.000 2.709 122 V HA 0.547 4.668 4.120 0.001 0.000 0.308 122 V C -0.700 175.393 176.094 -0.001 0.000 1.062 122 V CA -0.823 61.460 62.300 -0.029 0.000 0.901 122 V CB 1.958 33.836 31.823 0.091 0.000 1.003 122 V HN 0.754 nan 8.190 nan 0.000 0.425 123 I N 6.489 127.042 120.570 -0.028 0.000 2.517 123 I HA 0.370 4.540 4.170 0.001 0.000 0.280 123 I C -2.683 173.533 176.117 0.166 0.000 1.061 123 I CA -1.460 59.847 61.300 0.012 0.000 1.091 123 I CB 2.783 40.844 38.000 0.101 0.000 1.205 123 I HN 0.434 nan 8.210 nan 0.000 0.459 124 P HA 0.209 nan 4.420 nan 0.000 0.282 124 P C -0.386 177.016 177.300 0.169 0.000 1.259 124 P CA -0.370 62.859 63.100 0.215 0.000 0.826 124 P CB 1.146 33.080 31.700 0.389 0.000 1.064 125 T N -1.828 112.745 114.554 0.032 0.000 2.750 125 T HA 0.125 4.476 4.350 0.001 0.000 0.286 125 T C 1.453 176.317 174.700 0.274 0.000 0.911 125 T CA -0.048 62.050 62.100 -0.003 0.000 1.130 125 T CB -0.795 67.888 68.868 -0.307 0.000 0.873 125 T HN 0.525 nan 8.240 nan 0.000 0.536 126 T N -0.096 114.695 114.554 0.395 0.000 2.985 126 T HA 0.092 4.442 4.350 0.001 0.000 0.266 126 T C 0.567 175.619 174.700 0.587 0.000 1.076 126 T CA 0.301 62.684 62.100 0.471 0.000 1.135 126 T CB -0.024 69.048 68.868 0.339 0.000 0.890 126 T HN 0.676 nan 8.240 nan 0.000 0.480 127 K N 0.441 121.114 120.400 0.455 0.000 2.606 127 K HA 0.181 4.501 4.320 0.001 0.000 0.259 127 K C -1.435 175.261 176.600 0.159 0.000 1.001 127 K CA -0.661 55.794 56.287 0.280 0.000 0.881 127 K CB 1.339 33.962 32.500 0.205 0.000 1.288 127 K HN 0.301 nan 8.250 nan 0.000 0.452 128 H N 1.815 120.943 119.070 0.097 0.000 2.523 128 H HA 0.205 4.761 4.556 0.001 0.000 0.317 128 H C 0.820 176.042 175.328 -0.177 0.000 1.511 128 H CA 0.125 56.133 56.048 -0.066 0.000 1.499 128 H CB 0.960 30.610 29.762 -0.187 0.000 1.742 128 H HN 0.682 nan 8.280 nan 0.000 0.750 129 H N 0.171 118.907 119.070 -0.556 0.000 2.426 129 H HA -0.143 4.413 4.556 0.001 0.000 0.298 129 H C 1.368 176.133 175.328 -0.939 0.000 1.107 129 H CA 1.459 56.849 56.048 -1.096 0.000 1.298 129 H CB -0.445 28.049 29.762 -2.112 0.000 1.377 129 H HN 0.571 nan 8.280 nan 0.000 0.519 130 D N -0.544 119.761 120.400 -0.158 0.000 2.363 130 D HA 0.016 4.657 4.640 0.001 0.000 0.226 130 D C 1.729 178.337 176.300 0.512 0.000 1.020 130 D CA 0.805 55.034 54.000 0.381 0.000 0.892 130 D CB -0.556 40.657 40.800 0.687 0.000 0.900 130 D HN 0.421 nan 8.370 nan 0.000 0.531 131 G N -0.158 108.850 108.800 0.347 0.000 2.189 131 G HA2 -0.324 3.636 3.960 0.001 0.000 0.267 131 G HA3 -0.324 3.636 3.960 0.001 0.000 0.267 131 G C -0.005 175.228 174.900 0.555 0.000 0.975 131 G CA 0.227 45.602 45.100 0.459 0.000 0.644 131 G HN 0.469 nan 8.290 nan 0.000 0.537 132 F N 2.187 122.335 119.950 0.329 0.000 2.467 132 F HA 0.552 5.079 4.527 0.001 0.000 0.362 132 F C 0.823 176.608 175.800 -0.025 0.000 1.090 132 F CA -0.825 57.096 58.000 -0.131 0.000 1.202 132 F CB 0.469 39.166 39.000 -0.504 0.000 1.113 132 F HN 0.176 nan 8.300 nan 0.000 0.541 133 C N 7.613 126.408 119.300 -0.842 0.000 2.330 133 C HA 0.336 4.796 4.460 0.001 0.000 0.344 133 C C 1.082 175.725 174.990 -0.579 0.000 1.273 133 C CA -0.951 57.739 59.018 -0.547 0.000 1.879 133 C CB 0.322 27.611 27.740 -0.752 0.000 2.376 133 C HN 0.793 nan 8.230 nan 0.000 0.534 134 L N 2.077 123.299 121.223 -0.001 0.000 2.783 134 L HA 0.266 4.607 4.340 0.001 0.000 0.236 134 L C -0.156 176.870 176.870 0.260 0.000 1.225 134 L CA 0.037 54.912 54.840 0.059 0.000 1.026 134 L CB -0.875 41.274 42.059 0.149 0.000 1.314 134 L HN 0.861 nan 8.230 nan 0.000 0.489 135 W N -1.985 119.311 121.300 -0.005 0.000 3.029 135 W HA 0.681 5.342 4.660 0.001 0.000 0.339 135 W C 0.244 176.796 176.519 0.054 0.000 1.198 135 W CA -1.350 56.051 57.345 0.093 0.000 1.148 135 W CB 0.923 30.534 29.460 0.252 0.000 1.451 135 W HN -0.077 nan 8.180 nan 0.000 0.564 136 G N 2.108 110.981 108.800 0.122 0.000 3.102 136 G HA2 0.286 4.247 3.960 0.001 0.000 0.264 136 G HA3 0.286 4.247 3.960 0.001 0.000 0.264 136 G C -0.012 174.764 174.900 -0.207 0.000 0.788 136 G CA -0.022 45.026 45.100 -0.086 0.000 2.029 136 G HN 0.626 nan 8.290 nan 0.000 0.608 137 T N 0.007 114.158 114.554 -0.673 0.000 2.903 137 T HA 0.128 4.478 4.350 0.001 0.000 0.314 137 T C 1.633 176.168 174.700 -0.274 0.000 1.078 137 T CA 0.012 61.811 62.100 -0.501 0.000 1.114 137 T CB 0.458 68.848 68.868 -0.797 0.000 0.987 137 T HN 0.600 nan 8.240 nan 0.000 0.548 138 K N 2.707 122.901 120.400 -0.343 0.000 2.387 138 K HA 0.113 4.433 4.320 0.001 0.000 0.198 138 K C 0.431 176.800 176.600 -0.386 0.000 1.022 138 K CA 0.365 56.412 56.287 -0.400 0.000 1.128 138 K CB 0.122 32.336 32.500 -0.477 0.000 0.853 138 K HN 0.699 nan 8.250 nan 0.000 0.523 139 Y N 0.560 120.912 120.300 0.087 0.000 2.467 139 Y HA 0.180 4.731 4.550 0.001 0.000 0.250 139 Y C 0.561 176.620 175.900 0.266 0.000 1.155 139 Y CA -0.550 57.674 58.100 0.206 0.000 1.249 139 Y CB 1.466 40.093 38.460 0.279 0.000 1.146 139 Y HN 0.047 nan 8.280 nan 0.000 0.524 140 T N -1.136 113.565 114.554 0.246 0.000 2.885 140 T HA 0.168 4.519 4.350 0.001 0.000 0.322 140 T C -0.598 174.139 174.700 0.062 0.000 1.387 140 T CA -0.605 61.605 62.100 0.183 0.000 1.041 140 T CB 1.319 70.357 68.868 0.284 0.000 1.287 140 T HN -0.066 nan 8.240 nan 0.000 0.491 141 D N 1.437 121.886 120.400 0.081 0.000 2.350 141 D HA 0.129 4.769 4.640 0.001 0.000 0.213 141 D C 0.263 176.649 176.300 0.143 0.000 1.031 141 D CA 0.272 54.311 54.000 0.066 0.000 0.861 141 D CB 0.082 40.921 40.800 0.065 0.000 0.926 141 D HN 0.386 nan 8.370 nan 0.000 0.520 142 F N 3.029 122.970 119.950 -0.016 0.000 2.626 142 F HA 0.181 4.709 4.527 0.001 0.000 0.353 142 F C 0.048 175.696 175.800 -0.253 0.000 1.230 142 F CA -0.838 57.188 58.000 0.042 0.000 1.298 142 F CB -0.880 38.200 39.000 0.132 0.000 1.670 142 F HN -0.152 nan 8.300 nan 0.000 0.633 143 N N -1.567 116.894 118.700 -0.398 0.000 2.647 143 N HA 0.242 4.982 4.740 0.001 0.000 0.266 143 N C 0.283 175.488 175.510 -0.509 0.000 1.373 143 N CA -0.251 52.307 53.050 -0.819 0.000 0.807 143 N CB 0.849 39.012 38.487 -0.541 0.000 1.513 143 N HN -0.088 nan 8.380 nan 0.000 0.505 144 S N -1.028 114.399 115.700 -0.456 0.000 2.474 144 S HA -0.068 4.402 4.470 0.001 0.000 0.235 144 S C 1.332 175.876 174.600 -0.094 0.000 0.997 144 S CA 0.702 58.842 58.200 -0.101 0.000 0.949 144 S CB -0.512 62.612 63.200 -0.126 0.000 0.766 144 S HN 0.359 nan 8.310 nan 0.000 0.517 145 V N 1.820 121.674 119.914 -0.100 0.000 2.407 145 V HA -0.005 4.116 4.120 0.001 0.000 0.245 145 V C 2.485 178.555 176.094 -0.041 0.000 1.041 145 V CA 1.586 63.853 62.300 -0.055 0.000 1.040 145 V CB -0.404 31.394 31.823 -0.042 0.000 0.671 145 V HN 0.499 nan 8.190 nan 0.000 0.455 146 K N -0.832 119.544 120.400 -0.040 0.000 2.262 146 K HA 0.098 4.419 4.320 0.001 0.000 0.200 146 K C 0.981 177.593 176.600 0.021 0.000 1.049 146 K CA 0.349 56.632 56.287 -0.007 0.000 0.979 146 K CB 0.242 32.743 32.500 0.001 0.000 0.773 146 K HN 0.284 nan 8.250 nan 0.000 0.474 147 R N -0.692 119.837 120.500 0.047 0.000 3.112 147 R HA 0.289 4.629 4.340 0.001 0.000 0.227 147 R C 1.242 177.545 176.300 0.005 0.000 1.519 147 R CA -0.077 56.063 56.100 0.068 0.000 1.051 147 R CB -0.664 29.743 30.300 0.177 0.000 1.652 147 R HN 0.144 nan 8.270 nan 0.000 0.517 148 G N 1.880 110.658 108.800 -0.037 0.000 3.534 148 G HA2 -0.338 3.623 3.960 0.001 0.000 0.278 148 G HA3 -0.338 3.623 3.960 0.001 0.000 0.278 148 G C -1.289 173.474 174.900 -0.229 0.000 0.991 148 G CA 1.457 46.472 45.100 -0.141 0.000 0.904 148 G HN 0.463 nan 8.290 nan 0.000 1.258 149 P HA 0.083 nan 4.420 nan 0.000 0.225 149 P C 0.506 177.695 177.300 -0.185 0.000 1.148 149 P CA 1.254 64.128 63.100 -0.376 0.000 0.779 149 P CB 0.091 31.431 31.700 -0.600 0.000 0.780 150 K N -0.613 119.708 120.400 -0.131 0.000 3.257 150 K HA -0.193 4.127 4.320 0.001 0.000 0.270 150 K C 0.047 176.617 176.600 -0.051 0.000 0.984 150 K CA 0.880 57.127 56.287 -0.067 0.000 0.739 150 K CB -1.811 30.662 32.500 -0.045 0.000 1.351 150 K HN 0.424 nan 8.250 nan 0.000 0.463 151 R N 0.249 120.709 120.500 -0.067 0.000 2.634 151 R HA 0.116 4.456 4.340 0.001 0.000 0.263 151 R C -1.615 174.683 176.300 -0.002 0.000 1.060 151 R CA -0.713 55.377 56.100 -0.016 0.000 0.898 151 R CB 1.140 31.441 30.300 0.001 0.000 1.253 151 R HN 0.019 nan 8.270 nan 0.000 0.461 152 D N 4.776 125.222 120.400 0.077 0.000 2.455 152 D HA 0.094 4.734 4.640 0.001 0.000 0.234 152 D C 1.161 177.552 176.300 0.151 0.000 1.224 152 D CA 0.006 54.090 54.000 0.139 0.000 0.999 152 D CB 0.404 41.329 40.800 0.207 0.000 1.072 152 D HN 0.516 nan 8.370 nan 0.000 0.514 153 L N 2.560 123.822 121.223 0.065 0.000 2.017 153 L HA -0.188 4.152 4.340 0.001 0.000 0.208 153 L C 2.395 179.399 176.870 0.223 0.000 1.073 153 L CA 0.662 55.518 54.840 0.028 0.000 0.745 153 L CB -0.516 41.434 42.059 -0.182 0.000 0.894 153 L HN 0.273 nan 8.230 nan 0.000 0.432 154 V N 0.561 120.588 119.914 0.188 0.000 2.255 154 V HA -0.240 3.880 4.120 0.001 0.000 0.247 154 V C 2.686 178.645 176.094 -0.225 0.000 1.051 154 V CA 2.168 64.519 62.300 0.085 0.000 1.018 154 V CB -1.470 30.342 31.823 -0.017 0.000 0.641 154 V HN 0.574 nan 8.190 nan 0.000 0.445 155 G N -0.274 108.381 108.800 -0.242 0.000 2.459 155 G HA2 -0.272 3.688 3.960 0.001 0.000 0.217 155 G HA3 -0.272 3.688 3.960 0.001 0.000 0.217 155 G C 1.236 176.113 174.900 -0.038 0.000 1.183 155 G CA 1.125 46.140 45.100 -0.142 0.000 0.776 155 G HN 0.506 nan 8.290 nan 0.000 0.552 156 D N -0.053 120.410 120.400 0.105 0.000 2.149 156 D HA -0.090 4.550 4.640 0.001 0.000 0.198 156 D C 2.329 178.676 176.300 0.078 0.000 0.990 156 D CA 0.548 54.619 54.000 0.119 0.000 0.839 156 D CB -0.238 40.721 40.800 0.264 0.000 0.948 156 D HN 0.264 nan 8.370 nan 0.000 0.460 157 L N 0.538 121.890 121.223 0.215 0.000 2.109 157 L HA 0.082 4.422 4.340 0.001 0.000 0.207 157 L C 2.050 178.870 176.870 -0.083 0.000 1.086 157 L CA 1.380 56.358 54.840 0.230 0.000 0.760 157 L CB -0.715 41.706 42.059 0.603 0.000 0.910 157 L HN -0.041 nan 8.230 nan 0.000 0.437 158 A N -0.253 122.235 122.820 -0.554 0.000 1.908 158 A HA -0.285 4.036 4.320 0.001 0.000 0.218 158 A C 2.450 179.799 177.584 -0.392 0.000 1.181 158 A CA 2.069 53.448 52.037 -1.098 0.000 0.627 158 A CB -0.652 17.505 19.000 -1.405 0.000 0.818 158 A HN 0.516 nan 8.150 nan 0.000 0.445 159 K N -0.346 119.923 120.400 -0.218 0.000 2.032 159 K HA -0.116 4.204 4.320 0.001 0.000 0.209 159 K C 2.161 178.715 176.600 -0.076 0.000 1.048 159 K CA 1.408 57.633 56.287 -0.102 0.000 0.927 159 K CB -0.371 32.093 32.500 -0.061 0.000 0.712 159 K HN 0.354 nan 8.250 nan 0.000 0.441 160 A N 0.572 123.346 122.820 -0.076 0.000 1.877 160 A HA -0.101 4.219 4.320 0.001 0.000 0.216 160 A C 2.263 179.853 177.584 0.009 0.000 1.186 160 A CA 1.658 53.662 52.037 -0.055 0.000 0.620 160 A CB -0.665 18.278 19.000 -0.094 0.000 0.822 160 A HN 0.188 nan 8.150 nan 0.000 0.443 161 V N -0.112 119.839 119.914 0.061 0.000 2.295 161 V HA -0.271 3.849 4.120 0.001 0.000 0.246 161 V C 2.655 178.807 176.094 0.095 0.000 1.049 161 V CA 2.342 64.734 62.300 0.153 0.000 1.024 161 V CB -0.799 31.212 31.823 0.314 0.000 0.648 161 V HN 0.528 nan 8.190 nan 0.000 0.447 162 R N -0.258 120.265 120.500 0.039 0.000 2.096 162 R HA -0.153 4.188 4.340 0.001 0.000 0.235 162 R C 2.288 178.592 176.300 0.008 0.000 1.127 162 R CA 1.498 57.611 56.100 0.023 0.000 0.968 162 R CB -0.264 30.033 30.300 -0.005 0.000 0.861 162 R HN 0.606 nan 8.270 nan 0.000 0.440 163 E N 0.173 120.370 120.200 -0.005 0.000 2.153 163 E HA -0.144 4.207 4.350 0.001 0.000 0.194 163 E C 1.560 178.159 176.600 -0.002 0.000 0.988 163 E CA 1.093 57.487 56.400 -0.011 0.000 0.811 163 E CB 0.007 29.692 29.700 -0.025 0.000 0.746 163 E HN 0.353 nan 8.360 nan 0.000 0.466 164 A N -0.041 122.787 122.820 0.013 0.000 2.238 164 A HA 0.232 4.552 4.320 0.001 0.000 0.208 164 A C 1.707 179.306 177.584 0.024 0.000 1.177 164 A CA 0.835 52.884 52.037 0.019 0.000 0.804 164 A CB -0.325 18.698 19.000 0.039 0.000 0.823 164 A HN 0.344 nan 8.150 nan 0.000 0.482 165 G N -1.504 107.308 108.800 0.021 0.000 2.176 165 G HA2 -0.204 3.756 3.960 0.001 0.000 0.253 165 G HA3 -0.204 3.756 3.960 0.001 0.000 0.253 165 G C 0.125 175.039 174.900 0.023 0.000 0.979 165 G CA 0.331 45.439 45.100 0.014 0.000 0.641 165 G HN 0.428 nan 8.290 nan 0.000 0.530 166 L N 0.470 121.727 121.223 0.057 0.000 2.399 166 L HA 0.589 4.929 4.340 0.001 0.000 0.265 166 L C 1.115 178.034 176.870 0.081 0.000 1.089 166 L CA -1.099 53.790 54.840 0.082 0.000 0.802 166 L CB 0.610 42.748 42.059 0.132 0.000 1.180 166 L HN 0.014 nan 8.230 nan 0.000 0.454 167 R N 0.925 121.457 120.500 0.054 0.000 2.615 167 R HA 0.324 4.665 4.340 0.001 0.000 0.270 167 R C -0.973 175.469 176.300 0.237 0.000 1.081 167 R CA -0.234 55.857 56.100 -0.015 0.000 1.154 167 R CB 0.794 30.858 30.300 -0.392 0.000 1.063 167 R HN 0.350 nan 8.270 nan 0.000 0.519 168 F N 0.046 120.052 119.950 0.094 0.000 2.507 168 F HA 0.525 5.053 4.527 0.001 0.000 0.328 168 F C -0.040 175.914 175.800 0.257 0.000 1.136 168 F CA -0.395 57.714 58.000 0.182 0.000 0.930 168 F CB 1.677 40.765 39.000 0.146 0.000 1.166 168 F HN 0.559 nan 8.300 nan 0.000 0.436 169 G N 3.282 111.881 108.800 -0.335 0.000 2.735 169 G HA2 0.671 4.632 3.960 0.001 0.000 0.301 169 G HA3 0.671 4.632 3.960 0.001 0.000 0.301 169 G C -1.642 172.984 174.900 -0.456 0.000 1.279 169 G CA -0.628 44.392 45.100 -0.134 0.000 1.019 169 G HN 1.063 nan 8.290 nan 0.000 0.497 170 V N -2.457 117.448 119.914 -0.015 0.000 2.841 170 V HA 0.748 4.868 4.120 0.001 0.000 0.310 170 V C -1.390 174.896 176.094 0.319 0.000 1.090 170 V CA -1.269 61.076 62.300 0.076 0.000 0.930 170 V CB 1.299 33.173 31.823 0.085 0.000 1.014 170 V HN 0.886 nan 8.190 nan 0.000 0.425 171 Y N 4.528 124.963 120.300 0.224 0.000 2.360 171 Y HA 0.788 5.339 4.550 0.001 0.000 0.337 171 Y C -1.492 174.581 175.900 0.289 0.000 1.039 171 Y CA -0.947 57.339 58.100 0.310 0.000 1.109 171 Y CB 1.961 40.509 38.460 0.146 0.000 1.201 171 Y HN 0.887 nan 8.280 nan 0.000 0.458 172 Y N 4.286 124.380 120.300 -0.344 0.000 2.396 172 Y HA 0.311 4.862 4.550 0.001 0.000 0.332 172 Y C -0.806 174.872 175.900 -0.370 0.000 1.034 172 Y CA -0.893 57.128 58.100 -0.131 0.000 1.057 172 Y CB 1.939 40.426 38.460 0.045 0.000 1.220 172 Y HN 0.614 nan 8.280 nan 0.000 0.440 173 S N 4.171 119.479 115.700 -0.653 0.000 3.530 173 S HA 0.222 4.693 4.470 0.001 0.000 0.279 173 S C 1.127 175.477 174.600 -0.416 0.000 1.280 173 S CA 0.477 58.412 58.200 -0.441 0.000 0.946 173 S CB -0.634 62.404 63.200 -0.271 0.000 1.501 173 S HN 1.047 nan 8.310 nan 0.000 0.498 174 G N 3.041 111.777 108.800 -0.107 0.000 2.430 174 G HA2 0.017 3.978 3.960 0.001 0.000 0.216 174 G HA3 0.017 3.978 3.960 0.001 0.000 0.216 174 G C 1.251 176.094 174.900 -0.095 0.000 1.146 174 G CA 0.454 45.553 45.100 -0.002 0.000 0.793 174 G HN 0.722 nan 8.290 nan 0.000 0.537 175 G N -0.300 108.441 108.800 -0.099 0.000 2.511 175 G HA2 0.305 4.265 3.960 0.001 0.000 0.217 175 G HA3 0.305 4.265 3.960 0.001 0.000 0.217 175 G C 0.426 175.189 174.900 -0.228 0.000 1.133 175 G CA 0.060 45.088 45.100 -0.120 0.000 0.792 175 G HN 0.356 nan 8.290 nan 0.000 0.539 176 L N 0.085 121.112 121.223 -0.326 0.000 2.401 176 L HA 0.519 4.859 4.340 0.001 0.000 0.266 176 L C -1.693 174.894 176.870 -0.472 0.000 0.991 176 L CA -0.874 53.678 54.840 -0.481 0.000 0.818 176 L CB 2.849 44.446 42.059 -0.769 0.000 1.321 176 L HN -0.157 nan 8.230 nan 0.000 0.413 177 D N 1.673 121.794 120.400 -0.465 0.000 2.375 177 D HA 0.149 4.789 4.640 0.001 0.000 0.241 177 D C -0.017 176.305 176.300 0.037 0.000 1.361 177 D CA -0.348 53.523 54.000 -0.215 0.000 0.995 177 D CB 1.116 41.878 40.800 -0.063 0.000 1.312 177 D HN 0.386 nan 8.370 nan 0.000 0.576 178 W N 2.693 124.022 121.300 0.048 0.000 2.848 178 W HA 0.034 4.694 4.660 0.001 0.000 0.241 178 W C 1.574 178.129 176.519 0.060 0.000 1.289 178 W CA -0.132 57.223 57.345 0.016 0.000 1.396 178 W CB -0.313 29.128 29.460 -0.032 0.000 1.138 178 W HN 0.333 nan 8.180 nan 0.000 0.677 179 R N -0.491 120.206 120.500 0.328 0.000 2.275 179 R HA -0.013 4.328 4.340 0.001 0.000 0.199 179 R C 0.716 176.978 176.300 -0.062 0.000 0.989 179 R CA 0.628 56.776 56.100 0.080 0.000 1.016 179 R CB -0.707 29.593 30.300 -0.001 0.000 0.918 179 R HN 0.186 nan 8.270 nan 0.000 0.473 180 F N 0.012 119.943 119.950 -0.032 0.000 2.661 180 F HA 0.146 4.674 4.527 0.001 0.000 0.306 180 F C 0.905 176.667 175.800 -0.064 0.000 1.094 180 F CA -0.257 57.697 58.000 -0.077 0.000 1.254 180 F CB 0.481 39.382 39.000 -0.164 0.000 1.040 180 F HN -0.191 nan 8.300 nan 0.000 0.562 181 T N -4.343 110.292 114.554 0.135 0.000 2.865 181 T HA 0.506 4.856 4.350 0.001 0.000 0.294 181 T C 0.615 175.321 174.700 0.011 0.000 1.119 181 T CA 0.110 62.245 62.100 0.058 0.000 1.007 181 T CB 2.117 71.014 68.868 0.049 0.000 1.225 181 T HN -0.015 nan 8.240 nan 0.000 0.515 182 T N -2.622 111.917 114.554 -0.026 0.000 3.028 182 T HA 0.309 4.660 4.350 0.001 0.000 0.250 182 T C 0.426 175.072 174.700 -0.090 0.000 0.979 182 T CA -0.003 62.068 62.100 -0.048 0.000 1.004 182 T CB -0.203 68.648 68.868 -0.028 0.000 1.120 182 T HN 0.601 nan 8.240 nan 0.000 0.482 183 E N 4.242 124.390 120.200 -0.087 0.000 2.338 183 E HA 0.397 4.748 4.350 0.001 0.000 0.272 183 E C -2.385 174.093 176.600 -0.202 0.000 1.029 183 E CA -2.236 54.097 56.400 -0.111 0.000 0.872 183 E CB 0.839 30.501 29.700 -0.063 0.000 1.015 183 E HN 0.304 nan 8.360 nan 0.000 0.417 184 P HA 0.217 nan 4.420 nan 0.000 0.281 184 P C -0.551 176.553 177.300 -0.327 0.000 1.264 184 P CA -0.548 62.346 63.100 -0.343 0.000 0.824 184 P CB 0.829 32.337 31.700 -0.319 0.000 1.092 185 I N 2.546 122.885 120.570 -0.386 0.000 2.396 185 I HA 0.179 4.350 4.170 0.001 0.000 0.289 185 I C 1.766 177.501 176.117 -0.637 0.000 1.056 185 I CA 0.172 61.170 61.300 -0.503 0.000 1.365 185 I CB 0.236 37.883 38.000 -0.588 0.000 1.407 185 I HN 0.452 nan 8.210 nan 0.000 0.509 186 R N 4.155 124.316 120.500 -0.565 0.000 2.257 186 R HA 0.205 4.546 4.340 0.001 0.000 0.195 186 R C -0.494 175.326 176.300 -0.799 0.000 0.921 186 R CA 0.320 55.939 56.100 -0.801 0.000 1.069 186 R CB 0.585 30.495 30.300 -0.650 0.000 1.115 186 R HN 0.451 nan 8.270 nan 0.000 0.571 187 Y N -0.687 119.592 120.300 -0.036 0.000 2.536 187 Y HA 0.279 4.829 4.550 0.001 0.000 0.347 187 Y C -1.843 174.128 175.900 0.119 0.000 1.000 187 Y CA -2.741 55.475 58.100 0.194 0.000 1.051 187 Y CB 1.722 40.287 38.460 0.176 0.000 1.259 187 Y HN -0.193 nan 8.280 nan 0.000 0.468 188 P HA -0.180 nan 4.420 nan 0.000 0.216 188 P C 0.672 178.060 177.300 0.148 0.000 1.150 188 P CA 1.724 65.005 63.100 0.301 0.000 0.843 188 P CB 0.372 32.221 31.700 0.248 0.000 0.787 189 E N -0.436 119.869 120.200 0.175 0.000 2.130 189 E HA -0.198 4.153 4.350 0.001 0.000 0.196 189 E C 1.671 178.335 176.600 0.107 0.000 0.998 189 E CA 1.295 57.786 56.400 0.152 0.000 0.806 189 E CB -0.948 28.858 29.700 0.177 0.000 0.738 189 E HN 0.322 nan 8.360 nan 0.000 0.459 190 D N 0.277 120.675 120.400 -0.004 0.000 2.190 190 D HA -0.170 4.470 4.640 0.001 0.000 0.200 190 D C 1.815 177.853 176.300 -0.437 0.000 0.992 190 D CA 0.752 54.519 54.000 -0.388 0.000 0.854 190 D CB -0.246 40.342 40.800 -0.353 0.000 0.936 190 D HN 0.226 nan 8.370 nan 0.000 0.462 191 L N 1.075 122.183 121.223 -0.192 0.000 2.263 191 L HA -0.186 4.154 4.340 0.001 0.000 0.216 191 L C 2.427 179.254 176.870 -0.072 0.000 1.111 191 L CA 1.196 55.968 54.840 -0.112 0.000 0.773 191 L CB -0.482 41.571 42.059 -0.010 0.000 0.906 191 L HN 0.094 nan 8.230 nan 0.000 0.439 192 S N -0.530 115.159 115.700 -0.019 0.000 2.461 192 S HA -0.162 4.308 4.470 0.001 0.000 0.228 192 S C 1.584 176.261 174.600 0.128 0.000 1.005 192 S CA 0.948 59.193 58.200 0.076 0.000 0.942 192 S CB -0.224 63.065 63.200 0.148 0.000 0.776 192 S HN 0.685 nan 8.310 nan 0.000 0.514 193 Y N -0.821 119.476 120.300 -0.005 0.000 2.441 193 Y HA 0.563 5.113 4.550 0.001 0.000 0.266 193 Y C 0.461 176.348 175.900 -0.022 0.000 1.093 193 Y CA -1.076 57.016 58.100 -0.013 0.000 1.246 193 Y CB 0.210 38.667 38.460 -0.006 0.000 1.262 193 Y HN 0.084 nan 8.280 nan 0.000 0.518 194 I N 4.637 124.930 120.570 -0.462 0.000 2.241 194 I HA 0.315 4.485 4.170 0.001 0.000 0.294 194 I C -0.478 175.540 176.117 -0.164 0.000 1.145 194 I CA -0.019 61.105 61.300 -0.293 0.000 1.261 194 I CB -0.205 37.552 38.000 -0.405 0.000 1.475 194 I HN 0.183 nan 8.210 nan 0.000 0.533 195 R N 4.697 125.128 120.500 -0.115 0.000 2.764 195 R HA 0.392 4.733 4.340 0.001 0.000 0.270 195 R C -2.120 174.071 176.300 -0.182 0.000 1.014 195 R CA -1.805 54.201 56.100 -0.157 0.000 0.904 195 R CB 0.567 30.782 30.300 -0.143 0.000 1.236 195 R HN -0.043 nan 8.270 nan 0.000 0.466 196 P HA -0.138 nan 4.420 nan 0.000 0.215 196 P C -0.086 177.122 177.300 -0.154 0.000 1.157 196 P CA 1.382 64.257 63.100 -0.374 0.000 0.874 196 P CB 0.279 31.299 31.700 -1.133 0.000 0.790 197 N N -3.892 114.721 118.700 -0.145 0.000 2.951 197 N HA -0.125 4.615 4.740 0.001 0.000 0.218 197 N C 0.078 175.522 175.510 -0.109 0.000 0.858 197 N CA 1.875 54.871 53.050 -0.091 0.000 1.050 197 N CB -2.227 36.229 38.487 -0.051 0.000 1.012 197 N HN 0.368 nan 8.380 nan 0.000 0.611 198 T N -2.740 111.784 114.554 -0.050 0.000 2.899 198 T HA 0.452 4.803 4.350 0.001 0.000 0.284 198 T C 1.299 175.957 174.700 -0.070 0.000 1.004 198 T CA -0.452 61.625 62.100 -0.039 0.000 1.043 198 T CB 0.822 69.753 68.868 0.105 0.000 1.013 198 T HN 0.103 nan 8.240 nan 0.000 0.518 199 Y N 0.157 120.494 120.300 0.062 0.000 2.181 199 Y HA -0.075 4.476 4.550 0.001 0.000 0.288 199 Y C 2.815 178.742 175.900 0.045 0.000 1.146 199 Y CA 1.708 59.832 58.100 0.040 0.000 1.164 199 Y CB -0.273 38.203 38.460 0.027 0.000 0.982 199 Y HN 0.905 nan 8.280 nan 0.000 0.515 200 E N -0.301 120.033 120.200 0.222 0.000 2.097 200 E HA -0.335 4.016 4.350 0.001 0.000 0.196 200 E C 2.008 178.704 176.600 0.159 0.000 1.000 200 E CA 1.650 58.164 56.400 0.190 0.000 0.804 200 E CB -0.552 29.276 29.700 0.213 0.000 0.740 200 E HN 0.575 nan 8.360 nan 0.000 0.454 201 Y N 0.797 121.096 120.300 -0.002 0.000 2.181 201 Y HA -0.123 4.427 4.550 0.001 0.000 0.288 201 Y C 2.218 178.042 175.900 -0.127 0.000 1.146 201 Y CA 1.608 59.584 58.100 -0.207 0.000 1.164 201 Y CB -0.707 37.447 38.460 -0.509 0.000 0.982 201 Y HN 0.178 nan 8.280 nan 0.000 0.515 202 A N 0.046 122.748 122.820 -0.198 0.000 1.940 202 A HA -0.221 4.099 4.320 0.001 0.000 0.219 202 A C 1.970 179.478 177.584 -0.126 0.000 1.176 202 A CA 2.142 54.043 52.037 -0.227 0.000 0.631 202 A CB -0.833 18.144 19.000 -0.039 0.000 0.814 202 A HN 0.526 nan 8.150 nan 0.000 0.446 203 D N -1.835 118.548 120.400 -0.028 0.000 2.097 203 D HA -0.131 4.509 4.640 0.001 0.000 0.197 203 D C 1.718 178.025 176.300 0.011 0.000 0.984 203 D CA 1.510 55.529 54.000 0.032 0.000 0.826 203 D CB -0.540 40.290 40.800 0.051 0.000 0.973 203 D HN 0.550 nan 8.370 nan 0.000 0.460 204 Y N 1.814 122.007 120.300 -0.179 0.000 2.114 204 Y HA -0.280 4.271 4.550 0.001 0.000 0.282 204 Y C 2.209 177.976 175.900 -0.222 0.000 1.165 204 Y CA 1.980 59.967 58.100 -0.189 0.000 1.148 204 Y CB -0.600 37.807 38.460 -0.087 0.000 0.972 204 Y HN -0.044 nan 8.280 nan 0.000 0.504 205 A N -0.567 121.978 122.820 -0.458 0.000 1.877 205 A HA -0.248 4.072 4.320 0.001 0.000 0.216 205 A C 2.205 179.729 177.584 -0.100 0.000 1.186 205 A CA 1.736 53.492 52.037 -0.468 0.000 0.620 205 A CB -1.673 16.747 19.000 -0.966 0.000 0.822 205 A HN 0.724 nan 8.150 nan 0.000 0.443 206 Y N 0.945 121.234 120.300 -0.018 0.000 2.097 206 Y HA -0.229 4.321 4.550 0.001 0.000 0.282 206 Y C 2.266 178.117 175.900 -0.080 0.000 1.152 206 Y CA 2.379 60.553 58.100 0.122 0.000 1.136 206 Y CB -0.266 38.242 38.460 0.081 0.000 0.975 206 Y HN 0.259 nan 8.280 nan 0.000 0.498 207 K N -0.158 120.131 120.400 -0.185 0.000 2.103 207 K HA -0.232 4.088 4.320 0.001 0.000 0.207 207 K C 2.127 178.564 176.600 -0.272 0.000 1.048 207 K CA 1.868 57.924 56.287 -0.386 0.000 0.930 207 K CB -0.265 31.774 32.500 -0.769 0.000 0.716 207 K HN 0.549 nan 8.250 nan 0.000 0.444 208 Q N 0.365 120.004 119.800 -0.269 0.000 2.079 208 Q HA -0.099 4.242 4.340 0.001 0.000 0.200 208 Q C 2.240 178.137 176.000 -0.172 0.000 0.974 208 Q CA 1.102 56.878 55.803 -0.044 0.000 0.840 208 Q CB 0.027 28.719 28.738 -0.077 0.000 0.898 208 Q HN 0.113 nan 8.270 nan 0.000 0.430 209 V N 0.805 120.503 119.914 -0.360 0.000 2.358 209 V HA -0.251 3.869 4.120 0.001 0.000 0.246 209 V C 2.280 178.232 176.094 -0.238 0.000 1.047 209 V CA 1.225 63.337 62.300 -0.314 0.000 1.035 209 V CB -0.380 31.340 31.823 -0.171 0.000 0.658 209 V HN 0.411 nan 8.190 nan 0.000 0.452 210 M N -0.373 119.033 119.600 -0.322 0.000 2.108 210 M HA -0.213 4.268 4.480 0.001 0.000 0.261 210 M C 2.196 178.436 176.300 -0.100 0.000 1.066 210 M CA 1.787 56.900 55.300 -0.313 0.000 1.107 210 M CB -1.133 31.132 32.600 -0.559 0.000 1.356 210 M HN 0.500 nan 8.290 nan 0.000 0.406 211 E N 0.307 120.492 120.200 -0.025 0.000 2.077 211 E HA -0.174 4.177 4.350 0.001 0.000 0.193 211 E C 2.132 178.707 176.600 -0.042 0.000 0.989 211 E CA 0.948 57.399 56.400 0.086 0.000 0.800 211 E CB 0.025 29.930 29.700 0.341 0.000 0.746 211 E HN 0.462 nan 8.360 nan 0.000 0.452 212 L N 0.156 121.299 121.223 -0.133 0.000 2.056 212 L HA -0.161 4.179 4.340 0.001 0.000 0.207 212 L C 2.525 179.384 176.870 -0.019 0.000 1.078 212 L CA 0.626 55.364 54.840 -0.171 0.000 0.749 212 L CB -0.299 41.602 42.059 -0.263 0.000 0.901 212 L HN 0.103 nan 8.230 nan 0.000 0.433 213 V N -0.246 119.670 119.914 0.003 0.000 2.343 213 V HA -0.290 3.831 4.120 0.001 0.000 0.247 213 V C 2.077 178.238 176.094 0.111 0.000 1.051 213 V CA 1.865 64.236 62.300 0.118 0.000 1.036 213 V CB -0.471 31.461 31.823 0.183 0.000 0.654 213 V HN 0.428 nan 8.190 nan 0.000 0.451 214 D N -0.143 120.298 120.400 0.069 0.000 2.149 214 D HA -0.057 4.583 4.640 0.001 0.000 0.201 214 D C 2.082 178.325 176.300 -0.094 0.000 0.972 214 D CA 1.150 55.175 54.000 0.041 0.000 0.835 214 D CB -0.052 40.791 40.800 0.070 0.000 0.966 214 D HN 0.351 nan 8.370 nan 0.000 0.476 215 L N -1.229 119.824 121.223 -0.282 0.000 2.162 215 L HA -0.042 4.299 4.340 0.001 0.000 0.205 215 L C 1.363 177.817 176.870 -0.694 0.000 1.086 215 L CA 0.801 55.271 54.840 -0.617 0.000 0.778 215 L CB -0.057 41.327 42.059 -1.126 0.000 0.928 215 L HN 0.075 nan 8.230 nan 0.000 0.446 216 Y N -2.621 117.709 120.300 0.050 0.000 2.499 216 Y HA 0.285 4.835 4.550 0.001 0.000 0.253 216 Y C 0.417 176.388 175.900 0.119 0.000 1.105 216 Y CA -1.005 57.139 58.100 0.074 0.000 1.240 216 Y CB 0.615 39.147 38.460 0.120 0.000 1.289 216 Y HN -0.210 nan 8.280 nan 0.000 0.534 217 L N 2.221 123.576 121.223 0.221 0.000 3.965 217 L HA -0.192 4.148 4.340 0.001 0.000 0.476 217 L C -2.709 174.369 176.870 0.347 0.000 1.201 217 L CA -0.581 54.402 54.840 0.238 0.000 0.710 217 L CB -1.273 40.820 42.059 0.056 0.000 1.509 217 L HN -0.011 nan 8.230 nan 0.000 0.815 218 P HA 0.061 nan 4.420 nan 0.000 0.269 218 P C 0.585 178.253 177.300 0.613 0.000 1.217 218 P CA 0.034 63.434 63.100 0.500 0.000 0.783 218 P CB 0.485 32.406 31.700 0.367 0.000 0.898 219 D N -0.310 120.413 120.400 0.537 0.000 2.323 219 D HA 0.038 4.678 4.640 0.001 0.000 0.209 219 D C 0.136 176.837 176.300 0.669 0.000 0.973 219 D CA 1.085 55.450 54.000 0.609 0.000 0.874 219 D CB 0.332 41.310 40.800 0.298 0.000 0.930 219 D HN 0.079 nan 8.370 nan 0.000 0.521 220 V N 1.319 121.560 119.914 0.544 0.000 2.777 220 V HA 0.271 4.391 4.120 0.001 0.000 0.306 220 V C -0.503 175.817 176.094 0.377 0.000 1.112 220 V CA -0.725 61.869 62.300 0.491 0.000 0.917 220 V CB 2.871 35.008 31.823 0.523 0.000 1.018 220 V HN -0.110 nan 8.190 nan 0.000 0.426 221 L N 3.575 124.977 121.223 0.298 0.000 2.277 221 L HA 0.424 4.764 4.340 0.001 0.000 0.284 221 L C -1.094 176.038 176.870 0.436 0.000 1.028 221 L CA -0.058 54.941 54.840 0.266 0.000 0.835 221 L CB 1.153 43.249 42.059 0.061 0.000 1.215 221 L HN 0.734 nan 8.230 nan 0.000 0.425 222 W N 4.945 126.370 121.300 0.208 0.000 2.289 222 W HA 0.271 4.932 4.660 0.001 0.000 0.342 222 W C 0.396 176.805 176.519 -0.183 0.000 0.958 222 W CA -0.338 57.085 57.345 0.131 0.000 1.492 222 W CB 0.956 30.603 29.460 0.313 0.000 1.336 222 W HN 0.436 nan 8.180 nan 0.000 0.371 223 N N 3.034 121.471 118.700 -0.437 0.000 2.513 223 N HA 0.161 4.902 4.740 0.001 0.000 0.274 223 N C -1.084 174.131 175.510 -0.491 0.000 1.189 223 N CA 0.336 52.963 53.050 -0.705 0.000 0.975 223 N CB 0.987 38.443 38.487 -1.718 0.000 1.157 223 N HN 0.272 nan 8.380 nan 0.000 0.465 224 D N 1.502 121.696 120.400 -0.344 0.000 2.601 224 D HA 0.377 5.017 4.640 0.001 0.000 0.230 224 D C -0.240 176.019 176.300 -0.067 0.000 1.106 224 D CA -0.126 53.816 54.000 -0.096 0.000 0.873 224 D CB 0.861 41.755 40.800 0.156 0.000 1.515 224 D HN 0.501 nan 8.370 nan 0.000 0.468 225 M N 0.864 120.470 119.600 0.009 0.000 2.818 225 M HA -0.114 4.366 4.480 0.001 0.000 0.204 225 M C 0.599 176.890 176.300 -0.015 0.000 0.552 225 M CA 1.135 56.438 55.300 0.004 0.000 0.687 225 M CB -2.537 30.027 32.600 -0.060 0.000 2.512 225 M HN 0.850 nan 8.290 nan 0.000 0.563 226 G N -0.373 108.415 108.800 -0.020 0.000 2.855 226 G HA2 -0.202 3.758 3.960 0.001 0.000 0.352 226 G HA3 -0.202 3.758 3.960 0.001 0.000 0.352 226 G C -0.706 174.301 174.900 0.178 0.000 1.415 226 G CA -0.086 45.049 45.100 0.059 0.000 0.871 226 G HN 0.744 nan 8.290 nan 0.000 0.543 227 W N 1.310 122.634 121.300 0.039 0.000 2.666 227 W HA 0.548 5.208 4.660 0.001 0.000 0.334 227 W C -1.941 174.637 176.519 0.098 0.000 1.051 227 W CA -1.826 55.580 57.345 0.103 0.000 1.224 227 W CB 2.088 31.676 29.460 0.213 0.000 1.405 227 W HN 0.602 nan 8.180 nan 0.000 0.513 228 P HA -0.141 nan 4.420 nan 0.000 0.260 228 P C 0.452 177.794 177.300 0.070 0.000 1.172 228 P CA 0.827 63.860 63.100 -0.112 0.000 0.760 228 P CB 0.822 32.378 31.700 -0.241 0.000 0.773 229 E N 3.961 124.200 120.200 0.065 0.000 2.097 229 E HA -0.235 4.115 4.350 0.001 0.000 0.196 229 E C 1.470 178.131 176.600 0.102 0.000 1.000 229 E CA 1.867 58.324 56.400 0.094 0.000 0.804 229 E CB -0.306 29.421 29.700 0.046 0.000 0.740 229 E HN 0.405 nan 8.360 nan 0.000 0.454 230 K N -1.498 118.922 120.400 0.033 0.000 2.283 230 K HA -0.020 4.300 4.320 0.001 0.000 0.202 230 K C 1.744 178.428 176.600 0.141 0.000 1.048 230 K CA 1.008 57.323 56.287 0.046 0.000 0.948 230 K CB -0.015 32.410 32.500 -0.126 0.000 0.742 230 K HN 0.222 nan 8.250 nan 0.000 0.458 231 G N 0.378 109.296 108.800 0.197 0.000 3.126 231 G HA2 -0.049 3.912 3.960 0.001 0.000 0.224 231 G HA3 -0.049 3.912 3.960 0.001 0.000 0.224 231 G C 0.862 176.054 174.900 0.486 0.000 1.142 231 G CA -0.251 45.065 45.100 0.359 0.000 0.759 231 G HN 0.096 nan 8.290 nan 0.000 0.550 232 K N 0.620 121.277 120.400 0.428 0.000 2.089 232 K HA -0.121 4.199 4.320 0.001 0.000 0.210 232 K C 2.072 178.807 176.600 0.225 0.000 1.048 232 K CA 1.202 57.678 56.287 0.315 0.000 0.926 232 K CB 0.024 32.684 32.500 0.267 0.000 0.714 232 K HN 0.110 nan 8.250 nan 0.000 0.448 233 E N 0.962 121.285 120.200 0.205 0.000 2.265 233 E HA -0.156 4.194 4.350 0.001 0.000 0.196 233 E C 1.362 178.014 176.600 0.087 0.000 0.996 233 E CA 0.939 57.430 56.400 0.151 0.000 0.832 233 E CB -0.090 29.694 29.700 0.140 0.000 0.756 233 E HN 0.285 nan 8.360 nan 0.000 0.491 234 D N 0.440 120.890 120.400 0.083 0.000 2.178 234 D HA -0.110 4.530 4.640 0.001 0.000 0.202 234 D C 2.040 178.298 176.300 -0.070 0.000 0.974 234 D CA 0.436 54.461 54.000 0.043 0.000 0.841 234 D CB -0.201 40.598 40.800 -0.002 0.000 0.953 234 D HN 0.226 nan 8.370 nan 0.000 0.478 235 L N 0.621 121.640 121.223 -0.340 0.000 2.187 235 L HA -0.157 4.184 4.340 0.001 0.000 0.213 235 L C 2.252 178.577 176.870 -0.909 0.000 1.100 235 L CA 0.969 55.270 54.840 -0.898 0.000 0.765 235 L CB -0.364 41.011 42.059 -1.139 0.000 0.904 235 L HN 0.021 nan 8.230 nan 0.000 0.437 236 K N -0.261 119.656 120.400 -0.804 0.000 2.057 236 K HA -0.180 4.141 4.320 0.001 0.000 0.207 236 K C 2.087 178.233 176.600 -0.757 0.000 1.049 236 K CA 1.657 57.281 56.287 -1.104 0.000 0.931 236 K CB -0.294 31.347 32.500 -1.433 0.000 0.714 236 K HN 0.271 nan 8.250 nan 0.000 0.440 237 Y N 1.037 121.151 120.300 -0.310 0.000 2.184 237 Y HA -0.114 4.437 4.550 0.001 0.000 0.290 237 Y C 2.348 178.212 175.900 -0.059 0.000 1.129 237 Y CA 0.616 58.635 58.100 -0.136 0.000 1.144 237 Y CB -0.450 37.952 38.460 -0.097 0.000 0.995 237 Y HN -0.027 nan 8.280 nan 0.000 0.513 238 L N -0.830 120.403 121.223 0.016 0.000 2.046 238 L HA -0.223 4.118 4.340 0.001 0.000 0.208 238 L C 2.126 178.998 176.870 0.003 0.000 1.077 238 L CA 1.569 56.378 54.840 -0.052 0.000 0.747 238 L CB -0.432 41.496 42.059 -0.217 0.000 0.896 238 L HN 0.228 nan 8.230 nan 0.000 0.432 239 F N -0.457 119.293 119.950 -0.334 0.000 2.113 239 F HA -0.230 4.298 4.527 0.001 0.000 0.297 239 F C 2.647 178.205 175.800 -0.402 0.000 1.103 239 F CA 0.347 58.026 58.000 -0.536 0.000 1.248 239 F CB -0.411 38.260 39.000 -0.549 0.000 0.999 239 F HN 0.260 nan 8.300 nan 0.000 0.475 240 A N -0.118 122.703 122.820 0.001 0.000 1.877 240 A HA -0.293 4.027 4.320 0.001 0.000 0.216 240 A C 1.891 179.584 177.584 0.180 0.000 1.186 240 A CA 1.574 53.669 52.037 0.097 0.000 0.620 240 A CB -1.510 17.516 19.000 0.044 0.000 0.822 240 A HN 0.517 nan 8.150 nan 0.000 0.443 241 Y N -1.175 119.159 120.300 0.057 0.000 2.114 241 Y HA -0.328 4.222 4.550 0.001 0.000 0.282 241 Y C 2.256 178.227 175.900 0.117 0.000 1.165 241 Y CA 2.248 60.400 58.100 0.086 0.000 1.148 241 Y CB -0.612 37.891 38.460 0.072 0.000 0.972 241 Y HN 0.478 nan 8.280 nan 0.000 0.504 242 Y N -1.078 119.271 120.300 0.081 0.000 2.145 242 Y HA -0.334 4.216 4.550 0.001 0.000 0.286 242 Y C 1.905 177.802 175.900 -0.004 0.000 1.145 242 Y CA 1.783 59.861 58.100 -0.037 0.000 1.148 242 Y CB -0.615 37.727 38.460 -0.197 0.000 0.981 242 Y HN 0.131 nan 8.280 nan 0.000 0.507 243 Y N 0.476 120.657 120.300 -0.199 0.000 2.373 243 Y HA -0.169 4.382 4.550 0.001 0.000 0.293 243 Y C 2.139 178.050 175.900 0.017 0.000 1.129 243 Y CA 0.906 58.810 58.100 -0.326 0.000 1.226 243 Y CB -0.838 37.252 38.460 -0.618 0.000 1.000 243 Y HN 0.269 nan 8.280 nan 0.000 0.549 244 N N 0.053 118.891 118.700 0.230 0.000 2.396 244 N HA -0.085 4.655 4.740 0.001 0.000 0.180 244 N C 1.471 177.004 175.510 0.039 0.000 1.028 244 N CA 0.936 54.081 53.050 0.158 0.000 0.893 244 N CB -0.061 38.493 38.487 0.111 0.000 0.967 244 N HN 0.389 nan 8.380 nan 0.000 0.440 245 K N -0.943 119.441 120.400 -0.027 0.000 2.242 245 K HA 0.006 4.327 4.320 0.001 0.000 0.200 245 K C 0.020 176.655 176.600 0.059 0.000 1.050 245 K CA 0.516 56.775 56.287 -0.046 0.000 0.981 245 K CB 0.270 32.694 32.500 -0.127 0.000 0.795 245 K HN 0.086 nan 8.250 nan 0.000 0.477 246 H N -0.180 118.826 119.070 -0.107 0.000 2.852 246 H HA 0.213 4.770 4.556 0.001 0.000 0.274 246 H C -2.649 172.638 175.328 -0.070 0.000 1.321 246 H CA -2.457 53.529 56.048 -0.103 0.000 1.582 246 H CB 1.153 30.822 29.762 -0.156 0.000 1.699 246 H HN -0.147 nan 8.280 nan 0.000 0.546 247 P HA -0.119 nan 4.420 nan 0.000 0.219 247 P C 0.635 177.950 177.300 0.024 0.000 1.146 247 P CA 1.146 64.313 63.100 0.110 0.000 0.808 247 P CB 0.467 32.272 31.700 0.173 0.000 0.779 248 E N -0.441 119.701 120.200 -0.097 0.000 2.476 248 E HA 0.136 4.487 4.350 0.001 0.000 0.191 248 E C 1.217 177.733 176.600 -0.140 0.000 1.064 248 E CA -0.021 56.382 56.400 0.006 0.000 0.866 248 E CB -0.120 29.708 29.700 0.214 0.000 0.952 248 E HN 0.197 nan 8.360 nan 0.000 0.492 249 G N 1.576 109.987 108.800 -0.650 0.000 2.634 249 G HA2 0.271 4.231 3.960 0.001 0.000 0.255 249 G HA3 0.271 4.231 3.960 0.001 0.000 0.255 249 G C -0.045 174.984 174.900 0.215 0.000 1.205 249 G CA -0.133 44.775 45.100 -0.320 0.000 0.884 249 G HN 0.154 nan 8.290 nan 0.000 0.549 250 S N -2.021 113.945 115.700 0.444 0.000 2.579 250 S HA 0.710 5.181 4.470 0.001 0.000 0.272 250 S C -0.761 174.006 174.600 0.279 0.000 1.141 250 S CA -0.309 58.096 58.200 0.341 0.000 0.843 250 S CB 1.685 64.951 63.200 0.111 0.000 1.122 250 S HN 1.788 nan 8.310 nan 0.000 0.468 251 V N 0.310 120.246 119.914 0.037 0.000 2.735 251 V HA 0.749 4.870 4.120 0.001 0.000 0.310 251 V C -0.174 175.662 176.094 -0.430 0.000 1.061 251 V CA -0.934 61.282 62.300 -0.140 0.000 0.913 251 V CB 1.396 32.821 31.823 -0.663 0.000 1.005 251 V HN 1.138 nan 8.190 nan 0.000 0.428 252 N N 2.847 121.250 118.700 -0.494 0.000 2.386 252 N HA 0.222 4.962 4.740 0.001 0.000 0.291 252 N C 0.185 175.458 175.510 -0.394 0.000 1.309 252 N CA 0.419 52.780 53.050 -1.149 0.000 0.948 252 N CB 0.077 37.779 38.487 -1.309 0.000 1.083 252 N HN 0.897 nan 8.380 nan 0.000 0.527 253 D N -2.621 117.485 120.400 -0.491 0.000 2.538 253 D HA 0.117 4.757 4.640 0.001 0.000 0.231 253 D C -0.066 176.082 176.300 -0.254 0.000 1.229 253 D CA -0.208 53.621 54.000 -0.285 0.000 0.828 253 D CB -0.231 40.182 40.800 -0.646 0.000 1.035 253 D HN 0.468 nan 8.370 nan 0.000 0.495 254 R N 0.067 120.321 120.500 -0.410 0.000 2.702 254 R HA 0.225 4.566 4.340 0.001 0.000 0.314 254 R C -0.033 176.047 176.300 -0.366 0.000 1.152 254 R CA -0.246 55.620 56.100 -0.390 0.000 1.097 254 R CB -0.110 29.898 30.300 -0.486 0.000 1.343 254 R HN 0.174 nan 8.270 nan 0.000 0.575 255 W N -0.322 120.967 121.300 -0.019 0.000 2.872 255 W HA 0.243 4.904 4.660 0.001 0.000 0.266 255 W C 1.422 177.985 176.519 0.074 0.000 1.276 255 W CA 0.475 57.862 57.345 0.071 0.000 1.471 255 W CB 0.359 29.860 29.460 0.069 0.000 1.071 255 W HN 0.299 nan 8.180 nan 0.000 0.619 256 G N 1.099 110.022 108.800 0.206 0.000 2.160 256 G HA2 -0.180 3.781 3.960 0.001 0.000 0.251 256 G HA3 -0.180 3.781 3.960 0.001 0.000 0.251 256 G C -0.033 174.907 174.900 0.066 0.000 1.008 256 G CA 0.290 45.457 45.100 0.112 0.000 0.724 256 G HN 0.481 nan 8.290 nan 0.000 0.514 257 V N -4.486 115.447 119.914 0.032 0.000 3.181 257 V HA 0.889 5.009 4.120 0.001 0.000 0.314 257 V C -0.666 175.207 176.094 -0.367 0.000 1.173 257 V CA -1.291 60.852 62.300 -0.262 0.000 1.052 257 V CB 1.194 32.741 31.823 -0.460 0.000 1.123 257 V HN -0.068 nan 8.190 nan 0.000 0.454 258 P HA -0.033 nan 4.420 nan 0.000 0.219 258 P C 0.064 177.194 177.300 -0.283 0.000 1.146 258 P CA 1.491 64.265 63.100 -0.543 0.000 0.808 258 P CB -0.153 31.049 31.700 -0.831 0.000 0.779 259 H N -0.390 118.466 119.070 -0.357 0.000 2.472 259 H HA 0.422 4.978 4.556 0.001 0.000 0.335 259 H C -0.706 174.575 175.328 -0.078 0.000 1.136 259 H CA -0.585 55.354 56.048 -0.181 0.000 1.264 259 H CB 0.515 30.350 29.762 0.121 0.000 1.486 259 H HN 0.013 nan 8.280 nan 0.000 0.517 260 W N 3.748 124.489 121.300 -0.932 0.000 3.298 260 W HA 0.220 4.880 4.660 0.001 0.000 0.302 260 W C -1.300 174.802 176.519 -0.694 0.000 1.255 260 W CA -0.610 56.325 57.345 -0.682 0.000 1.196 260 W CB 0.646 29.866 29.460 -0.401 0.000 1.364 260 W HN 0.459 nan 8.180 nan 0.000 0.566 261 D N 1.066 121.335 120.400 -0.218 0.000 2.380 261 D HA 0.123 4.764 4.640 0.001 0.000 0.212 261 D C 0.109 176.601 176.300 0.320 0.000 1.021 261 D CA 1.159 55.126 54.000 -0.055 0.000 0.884 261 D CB 0.895 41.719 40.800 0.041 0.000 1.001 261 D HN 0.240 nan 8.370 nan 0.000 0.506 262 F N -0.631 119.498 119.950 0.299 0.000 2.641 262 F HA 0.533 5.061 4.527 0.001 0.000 0.308 262 F C -0.487 175.361 175.800 0.079 0.000 1.105 262 F CA -1.353 56.812 58.000 0.274 0.000 0.964 262 F CB 1.294 40.336 39.000 0.071 0.000 1.294 262 F HN -0.516 nan 8.300 nan 0.000 0.442 263 K N 0.589 121.024 120.400 0.059 0.000 2.177 263 K HA 0.769 5.090 4.320 0.001 0.000 0.238 263 K C -0.560 176.165 176.600 0.208 0.000 1.015 263 K CA -0.705 55.438 56.287 -0.240 0.000 0.922 263 K CB 1.833 34.035 32.500 -0.498 0.000 1.127 263 K HN 0.910 nan 8.250 nan 0.000 0.469 264 T N -2.604 112.016 114.554 0.110 0.000 2.896 264 T HA 0.772 5.123 4.350 0.001 0.000 0.297 264 T C -1.200 173.704 174.700 0.340 0.000 1.108 264 T CA -1.037 61.261 62.100 0.329 0.000 1.004 264 T CB 1.896 70.895 68.868 0.219 0.000 1.159 264 T HN 0.600 nan 8.240 nan 0.000 0.499 265 A N 0.967 124.096 122.820 0.515 0.000 2.486 265 A HA 0.804 5.125 4.320 0.001 0.000 0.300 265 A C -0.999 176.942 177.584 0.594 0.000 1.048 265 A CA -0.795 51.547 52.037 0.509 0.000 0.696 265 A CB 1.763 21.090 19.000 0.546 0.000 1.278 265 A HN 0.965 nan 8.150 nan 0.000 0.405 266 E N 1.423 121.936 120.200 0.523 0.000 2.216 266 E HA 0.568 4.919 4.350 0.001 0.000 0.260 266 E C -0.734 176.205 176.600 0.565 0.000 0.880 266 E CA -0.450 56.238 56.400 0.481 0.000 0.765 266 E CB 0.679 30.685 29.700 0.509 0.000 1.174 266 E HN 0.644 nan 8.360 nan 0.000 0.417 267 Y N 0.979 121.525 120.300 0.409 0.000 2.845 267 Y HA -0.502 4.048 4.550 0.001 0.000 0.468 267 Y C 1.667 177.738 175.900 0.286 0.000 1.163 267 Y CA 1.838 60.124 58.100 0.310 0.000 2.636 267 Y CB -0.987 37.581 38.460 0.180 0.000 1.194 267 Y HN 0.746 nan 8.280 nan 0.000 0.626 268 H N -0.460 118.883 119.070 0.454 0.000 2.495 268 H HA 0.104 4.660 4.556 0.001 0.000 0.287 268 H C 0.378 175.868 175.328 0.269 0.000 1.033 268 H CA 1.152 57.361 56.048 0.269 0.000 1.307 268 H CB -0.437 29.415 29.762 0.149 0.000 1.401 268 H HN 0.065 nan 8.280 nan 0.000 0.555 269 V N 3.668 123.800 119.914 0.364 0.000 2.450 269 V HA -0.089 4.031 4.120 0.001 0.000 0.281 269 V C 0.691 176.939 176.094 0.257 0.000 1.019 269 V CA 0.073 62.527 62.300 0.256 0.000 1.062 269 V CB 0.093 32.037 31.823 0.202 0.000 0.979 269 V HN 0.575 nan 8.190 nan 0.000 0.477 270 N N 2.331 121.129 118.700 0.164 0.000 2.753 270 N HA -0.256 4.485 4.740 0.001 0.000 0.251 270 N C -0.241 175.293 175.510 0.039 0.000 1.097 270 N CA 0.815 53.914 53.050 0.082 0.000 0.786 270 N CB -1.361 37.161 38.487 0.058 0.000 1.137 270 N HN 0.792 nan 8.380 nan 0.000 0.566 271 Y N 3.026 123.345 120.300 0.032 0.000 2.569 271 Y HA 0.184 4.735 4.550 0.001 0.000 0.332 271 Y C -1.424 174.351 175.900 -0.209 0.000 1.120 271 Y CA -1.044 57.014 58.100 -0.070 0.000 1.416 271 Y CB 0.635 39.083 38.460 -0.021 0.000 1.210 271 Y HN 0.058 nan 8.280 nan 0.000 0.528 272 P HA 0.170 nan 4.420 nan 0.000 0.279 272 P C 0.164 177.334 177.300 -0.217 0.000 1.239 272 P CA -0.250 62.534 63.100 -0.527 0.000 0.789 272 P CB 1.690 32.865 31.700 -0.876 0.000 0.933 273 G N 1.088 109.838 108.800 -0.083 0.000 2.880 273 G HA2 0.011 3.971 3.960 0.001 0.000 0.209 273 G HA3 0.011 3.971 3.960 0.001 0.000 0.209 273 G C 0.259 175.144 174.900 -0.025 0.000 1.157 273 G CA 0.317 45.421 45.100 0.006 0.000 0.779 273 G HN 0.602 nan 8.290 nan 0.000 0.539 274 D N -1.495 118.852 120.400 -0.089 0.000 2.768 274 D HA 0.209 4.850 4.640 0.001 0.000 0.327 274 D C -0.310 175.923 176.300 -0.111 0.000 1.302 274 D CA -0.824 53.137 54.000 -0.063 0.000 0.897 274 D CB 0.351 41.120 40.800 -0.052 0.000 1.420 274 D HN -0.133 nan 8.370 nan 0.000 0.494 275 L N 2.028 123.210 121.223 -0.067 0.000 2.700 275 L HA 0.077 4.418 4.340 0.001 0.000 0.276 275 L C -1.206 175.552 176.870 -0.188 0.000 1.200 275 L CA -0.656 54.136 54.840 -0.082 0.000 0.951 275 L CB -0.050 41.983 42.059 -0.044 0.000 1.226 275 L HN 0.371 nan 8.230 nan 0.000 0.489 276 P HA 0.007 nan 4.420 nan 0.000 0.219 276 P C 1.023 178.026 177.300 -0.495 0.000 1.154 276 P CA 1.013 63.757 63.100 -0.593 0.000 0.826 276 P CB 0.356 31.345 31.700 -1.185 0.000 0.795 277 G N -2.055 106.544 108.800 -0.336 0.000 2.148 277 G HA2 -0.148 3.813 3.960 0.001 0.000 0.203 277 G HA3 -0.148 3.813 3.960 0.001 0.000 0.203 277 G C -0.255 174.674 174.900 0.048 0.000 0.993 277 G CA -0.054 44.986 45.100 -0.100 0.000 0.661 277 G HN 0.472 nan 8.290 nan 0.000 0.518 278 Y N -2.352 118.058 120.300 0.183 0.000 2.624 278 Y HA 0.818 5.368 4.550 0.001 0.000 0.334 278 Y C -0.332 175.788 175.900 0.367 0.000 1.155 278 Y CA -2.252 56.013 58.100 0.275 0.000 1.046 278 Y CB 0.523 39.200 38.460 0.362 0.000 1.316 278 Y HN 0.116 nan 8.280 nan 0.000 0.457 279 K N 3.132 123.884 120.400 0.586 0.000 2.350 279 K HA 0.376 4.696 4.320 0.001 0.000 0.279 279 K C -1.003 176.048 176.600 0.752 0.000 1.027 279 K CA -0.209 56.400 56.287 0.536 0.000 0.969 279 K CB 0.328 33.085 32.500 0.428 0.000 0.954 279 K HN 0.781 nan 8.250 nan 0.000 0.474 280 W N 1.936 123.464 121.300 0.380 0.000 3.018 280 W HA 0.597 5.257 4.660 0.001 0.000 0.352 280 W C -1.373 175.367 176.519 0.368 0.000 1.230 280 W CA -0.876 56.704 57.345 0.393 0.000 1.162 280 W CB 0.607 30.235 29.460 0.282 0.000 1.483 280 W HN 0.629 nan 8.180 nan 0.000 0.584 281 E N 1.024 121.449 120.200 0.374 0.000 2.304 281 E HA 0.418 4.768 4.350 0.001 0.000 0.277 281 E C -2.251 174.573 176.600 0.373 0.000 0.898 281 E CA -0.649 55.846 56.400 0.157 0.000 0.764 281 E CB 2.728 32.669 29.700 0.401 0.000 1.216 281 E HN 0.278 nan 8.360 nan 0.000 0.419 282 F N 3.006 122.964 119.950 0.013 0.000 2.404 282 F HA 0.540 5.068 4.527 0.001 0.000 0.339 282 F C -0.495 175.438 175.800 0.221 0.000 1.105 282 F CA -0.104 58.040 58.000 0.241 0.000 1.087 282 F CB 1.805 40.940 39.000 0.225 0.000 1.143 282 F HN 0.307 nan 8.300 nan 0.000 0.491 283 T N 6.436 120.765 114.554 -0.376 0.000 2.900 283 T HA 0.809 5.160 4.350 0.001 0.000 0.295 283 T C -1.254 173.023 174.700 -0.706 0.000 1.044 283 T CA -0.634 61.256 62.100 -0.350 0.000 0.995 283 T CB 1.045 70.033 68.868 0.199 0.000 1.072 283 T HN 0.964 nan 8.240 nan 0.000 0.473 284 R N 1.294 121.440 120.500 -0.590 0.000 2.712 284 R HA 0.684 5.024 4.340 0.001 0.000 0.272 284 R C -0.248 175.623 176.300 -0.716 0.000 1.032 284 R CA -1.284 54.259 56.100 -0.929 0.000 0.874 284 R CB 0.382 29.878 30.300 -1.339 0.000 1.256 284 R HN 0.771 nan 8.270 nan 0.000 0.468 285 G N 0.413 108.695 108.800 -0.863 0.000 2.537 285 G HA2 0.360 4.320 3.960 0.001 0.000 0.273 285 G HA3 0.360 4.320 3.960 0.001 0.000 0.273 285 G C 0.655 175.395 174.900 -0.266 0.000 1.189 285 G CA -1.047 43.702 45.100 -0.585 0.000 0.881 285 G HN 0.576 nan 8.290 nan 0.000 0.535 286 I N 0.723 121.188 120.570 -0.175 0.000 2.226 286 I HA -0.064 4.107 4.170 0.001 0.000 0.245 286 I C 2.211 178.299 176.117 -0.049 0.000 1.100 286 I CA 1.424 62.669 61.300 -0.093 0.000 1.374 286 I CB -0.208 37.756 38.000 -0.061 0.000 1.057 286 I HN 0.556 nan 8.210 nan 0.000 0.413 287 G N -0.093 108.677 108.800 -0.050 0.000 3.022 287 G HA2 0.356 4.317 3.960 0.001 0.000 0.157 287 G HA3 0.356 4.317 3.960 0.001 0.000 0.157 287 G C 0.511 175.441 174.900 0.049 0.000 1.468 287 G CA -0.427 44.674 45.100 0.002 0.000 1.058 287 G HN 0.139 nan 8.290 nan 0.000 0.581 288 L N 0.100 121.320 121.223 -0.006 0.000 2.640 288 L HA 0.335 4.675 4.340 0.001 0.000 0.230 288 L C 0.954 177.785 176.870 -0.065 0.000 1.123 288 L CA 0.113 54.922 54.840 -0.050 0.000 0.900 288 L CB 0.588 42.581 42.059 -0.109 0.000 1.146 288 L HN 0.309 nan 8.230 nan 0.000 0.484 289 S N -1.701 113.914 115.700 -0.142 0.000 2.634 289 S HA 0.558 5.029 4.470 0.001 0.000 0.296 289 S C 0.140 174.470 174.600 -0.450 0.000 1.104 289 S CA -0.518 57.579 58.200 -0.172 0.000 0.920 289 S CB 1.298 64.431 63.200 -0.111 0.000 1.111 289 S HN 0.054 nan 8.310 nan 0.000 0.493 290 F N 1.533 121.240 119.950 -0.405 0.000 2.315 290 F HA 0.356 4.883 4.527 0.001 0.000 0.284 290 F C 1.911 177.559 175.800 -0.253 0.000 1.049 290 F CA 0.466 58.144 58.000 -0.537 0.000 1.323 290 F CB -0.750 37.505 39.000 -1.240 0.000 1.113 290 F HN 0.690 nan 8.300 nan 0.000 0.544 291 G N -0.754 108.061 108.800 0.025 0.000 2.544 291 G HA2 0.035 3.995 3.960 0.001 0.000 0.242 291 G HA3 0.035 3.995 3.960 0.001 0.000 0.242 291 G C -1.101 173.913 174.900 0.190 0.000 1.247 291 G CA -0.293 44.936 45.100 0.216 0.000 0.840 291 G HN 0.185 nan 8.290 nan 0.000 0.578 292 Y N 1.658 122.036 120.300 0.130 0.000 2.717 292 Y HA 0.154 4.704 4.550 0.001 0.000 0.330 292 Y C 0.078 176.004 175.900 0.044 0.000 1.217 292 Y CA -0.496 57.643 58.100 0.065 0.000 1.506 292 Y CB 0.557 39.070 38.460 0.089 0.000 1.268 292 Y HN 0.446 nan 8.280 nan 0.000 0.561 293 N N 5.753 124.139 118.700 -0.522 0.000 2.524 293 N HA 0.177 4.918 4.740 0.001 0.000 0.261 293 N C 0.475 175.497 175.510 -0.814 0.000 0.998 293 N CA -0.803 51.873 53.050 -0.623 0.000 0.915 293 N CB 0.773 39.024 38.487 -0.394 0.000 1.187 293 N HN 0.832 nan 8.380 nan 0.000 0.507 294 R N 2.418 122.351 120.500 -0.945 0.000 2.328 294 R HA 0.019 4.359 4.340 0.001 0.000 0.207 294 R C -0.334 175.827 176.300 -0.232 0.000 1.056 294 R CA 0.758 56.581 56.100 -0.462 0.000 1.016 294 R CB -0.092 30.117 30.300 -0.152 0.000 0.872 294 R HN 0.283 nan 8.270 nan 0.000 0.471 295 N N 1.093 119.572 118.700 -0.368 0.000 2.467 295 N HA 0.014 4.754 4.740 0.001 0.000 0.184 295 N C -0.416 174.918 175.510 -0.294 0.000 1.106 295 N CA 0.396 53.238 53.050 -0.347 0.000 0.892 295 N CB 0.272 38.386 38.487 -0.620 0.000 0.969 295 N HN 0.441 nan 8.380 nan 0.000 0.454 296 E N -0.321 119.723 120.200 -0.261 0.000 2.301 296 E HA 0.473 4.824 4.350 0.001 0.000 0.275 296 E C 0.345 177.006 176.600 0.101 0.000 1.030 296 E CA -0.458 55.855 56.400 -0.145 0.000 0.852 296 E CB 1.295 30.909 29.700 -0.145 0.000 1.060 296 E HN 0.133 nan 8.360 nan 0.000 0.401 297 G N 1.715 110.732 108.800 0.362 0.000 2.932 297 G HA2 0.279 4.239 3.960 0.001 0.000 0.283 297 G HA3 0.279 4.239 3.960 0.001 0.000 0.283 297 G C -1.936 173.018 174.900 0.091 0.000 1.336 297 G CA -1.169 44.025 45.100 0.156 0.000 1.056 297 G HN 0.293 nan 8.290 nan 0.000 0.522 298 P HA -0.081 nan 4.420 nan 0.000 0.222 298 P C 0.814 178.068 177.300 -0.076 0.000 1.147 298 P CA 1.078 64.167 63.100 -0.018 0.000 0.790 298 P CB 0.322 32.011 31.700 -0.020 0.000 0.780 299 E N -0.577 119.513 120.200 -0.183 0.000 2.204 299 E HA -0.177 4.173 4.350 0.001 0.000 0.195 299 E C 1.754 178.150 176.600 -0.341 0.000 0.990 299 E CA 1.092 57.305 56.400 -0.311 0.000 0.821 299 E CB -0.983 28.407 29.700 -0.517 0.000 0.750 299 E HN 0.551 nan 8.360 nan 0.000 0.477 300 H N -0.933 118.116 119.070 -0.036 0.000 2.539 300 H HA 0.287 4.843 4.556 0.001 0.000 0.269 300 H C 0.378 175.689 175.328 -0.027 0.000 0.980 300 H CA 0.288 56.312 56.048 -0.040 0.000 1.152 300 H CB 0.099 29.822 29.762 -0.067 0.000 1.407 300 H HN 0.183 nan 8.280 nan 0.000 0.564 301 M N 0.915 120.547 119.600 0.053 0.000 2.644 301 M HA 0.310 4.791 4.480 0.001 0.000 0.316 301 M C -0.102 176.195 176.300 -0.005 0.000 1.200 301 M CA -0.750 54.565 55.300 0.025 0.000 0.944 301 M CB 2.599 35.206 32.600 0.012 0.000 1.691 301 M HN -0.114 nan 8.290 nan 0.000 0.471 302 L N 1.140 122.353 121.223 -0.017 0.000 2.452 302 L HA 0.242 4.582 4.340 0.001 0.000 0.267 302 L C 0.644 177.475 176.870 -0.066 0.000 1.188 302 L CA -0.276 54.538 54.840 -0.045 0.000 0.821 302 L CB 0.986 43.008 42.059 -0.060 0.000 1.102 302 L HN 0.829 nan 8.230 nan 0.000 0.470 303 S N 0.696 116.340 115.700 -0.093 0.000 2.672 303 S HA 0.264 4.734 4.470 0.001 0.000 0.276 303 S C 1.028 175.537 174.600 -0.152 0.000 1.207 303 S CA -0.969 57.168 58.200 -0.104 0.000 1.002 303 S CB 1.700 64.836 63.200 -0.106 0.000 0.998 303 S HN 0.318 nan 8.310 nan 0.000 0.542 304 V N 1.734 121.566 119.914 -0.136 0.000 2.324 304 V HA -0.206 3.914 4.120 0.001 0.000 0.250 304 V C 2.574 178.489 176.094 -0.300 0.000 1.060 304 V CA 2.504 64.703 62.300 -0.168 0.000 1.042 304 V CB -1.420 30.343 31.823 -0.098 0.000 0.650 304 V HN 0.912 nan 8.190 nan 0.000 0.450 305 E N -0.074 119.919 120.200 -0.345 0.000 2.085 305 E HA -0.250 4.100 4.350 0.001 0.000 0.194 305 E C 2.282 178.301 176.600 -0.969 0.000 0.994 305 E CA 1.401 57.417 56.400 -0.640 0.000 0.801 305 E CB -0.291 29.093 29.700 -0.527 0.000 0.743 305 E HN 0.676 nan 8.360 nan 0.000 0.453 306 Q N -0.002 119.455 119.800 -0.572 0.000 2.119 306 Q HA -0.055 4.286 4.340 0.001 0.000 0.201 306 Q C 2.265 178.079 176.000 -0.311 0.000 0.972 306 Q CA 0.716 56.283 55.803 -0.393 0.000 0.847 306 Q CB -0.064 28.565 28.738 -0.181 0.000 0.903 306 Q HN 0.302 nan 8.270 nan 0.000 0.433 307 L N -0.020 121.021 121.223 -0.302 0.000 2.017 307 L HA -0.206 4.134 4.340 0.001 0.000 0.208 307 L C 2.301 178.948 176.870 -0.371 0.000 1.073 307 L CA 0.932 55.613 54.840 -0.265 0.000 0.745 307 L CB -0.344 41.571 42.059 -0.241 0.000 0.894 307 L HN 0.124 nan 8.230 nan 0.000 0.432 308 V N -0.952 118.641 119.914 -0.534 0.000 2.343 308 V HA -0.347 3.774 4.120 0.001 0.000 0.247 308 V C 2.103 177.891 176.094 -0.511 0.000 1.051 308 V CA 1.864 63.715 62.300 -0.749 0.000 1.036 308 V CB -0.781 30.382 31.823 -1.101 0.000 0.654 308 V HN 0.408 nan 8.190 nan 0.000 0.451 309 Y N 0.117 120.176 120.300 -0.403 0.000 2.293 309 Y HA -0.210 4.340 4.550 0.001 0.000 0.291 309 Y C 2.813 178.574 175.900 -0.232 0.000 1.137 309 Y CA 0.973 58.895 58.100 -0.297 0.000 1.202 309 Y CB -0.497 37.837 38.460 -0.209 0.000 0.990 309 Y HN 0.242 nan 8.280 nan 0.000 0.537 310 T N 0.794 115.307 114.554 -0.070 0.000 2.701 310 T HA -0.190 4.160 4.350 0.001 0.000 0.263 310 T C 1.882 176.543 174.700 -0.064 0.000 1.040 310 T CA 1.239 63.309 62.100 -0.050 0.000 1.147 310 T CB -0.575 68.296 68.868 0.004 0.000 0.865 310 T HN 0.168 nan 8.240 nan 0.000 0.426 311 L N 1.417 122.541 121.223 -0.165 0.000 2.012 311 L HA -0.072 4.268 4.340 0.001 0.000 0.210 311 L C 2.418 179.183 176.870 -0.175 0.000 1.073 311 L CA 1.567 56.285 54.840 -0.204 0.000 0.748 311 L CB -0.692 41.149 42.059 -0.364 0.000 0.891 311 L HN 0.077 nan 8.230 nan 0.000 0.431 312 V N -0.251 119.536 119.914 -0.211 0.000 2.343 312 V HA -0.311 3.810 4.120 0.001 0.000 0.247 312 V C 2.301 178.351 176.094 -0.073 0.000 1.051 312 V CA 2.011 64.222 62.300 -0.149 0.000 1.036 312 V CB -0.808 30.909 31.823 -0.176 0.000 0.654 312 V HN 0.575 nan 8.190 nan 0.000 0.451 313 D N -0.076 120.297 120.400 -0.047 0.000 2.097 313 D HA -0.157 4.484 4.640 0.001 0.000 0.195 313 D C 2.058 178.410 176.300 0.088 0.000 0.989 313 D CA 1.486 55.500 54.000 0.023 0.000 0.827 313 D CB -0.079 40.745 40.800 0.041 0.000 0.966 313 D HN 0.168 nan 8.370 nan 0.000 0.456 314 V N -0.088 119.867 119.914 0.068 0.000 2.252 314 V HA -0.255 3.865 4.120 0.001 0.000 0.249 314 V C 2.566 178.626 176.094 -0.058 0.000 1.056 314 V CA 1.556 63.868 62.300 0.020 0.000 1.022 314 V CB -0.502 31.277 31.823 -0.072 0.000 0.641 314 V HN 0.190 nan 8.190 nan 0.000 0.445 315 V N 0.752 120.622 119.914 -0.073 0.000 2.427 315 V HA -0.201 3.920 4.120 0.001 0.000 0.248 315 V C 2.692 178.797 176.094 0.018 0.000 1.051 315 V CA 2.073 64.332 62.300 -0.068 0.000 1.048 315 V CB -0.681 31.093 31.823 -0.080 0.000 0.666 315 V HN 0.781 nan 8.190 nan 0.000 0.456 316 S N 0.162 115.893 115.700 0.051 0.000 2.419 316 S HA -0.199 4.272 4.470 0.001 0.000 0.233 316 S C 1.689 176.380 174.600 0.151 0.000 1.016 316 S CA 1.242 59.508 58.200 0.110 0.000 0.974 316 S CB -0.409 62.847 63.200 0.094 0.000 0.786 316 S HN 0.633 nan 8.310 nan 0.000 0.492 317 K N 0.686 121.192 120.400 0.178 0.000 2.469 317 K HA 0.322 4.642 4.320 0.001 0.000 0.201 317 K C 1.141 177.969 176.600 0.381 0.000 1.028 317 K CA 0.336 56.782 56.287 0.266 0.000 1.170 317 K CB -0.173 32.541 32.500 0.357 0.000 0.874 317 K HN 0.542 nan 8.250 nan 0.000 0.507 318 G N 0.569 109.488 108.800 0.198 0.000 2.162 318 G HA2 -0.264 3.697 3.960 0.001 0.000 0.260 318 G HA3 -0.264 3.697 3.960 0.001 0.000 0.260 318 G C 0.404 175.233 174.900 -0.118 0.000 0.976 318 G CA 0.022 45.200 45.100 0.130 0.000 0.655 318 G HN 0.522 nan 8.290 nan 0.000 0.533 319 G N -0.862 107.649 108.800 -0.482 0.000 2.531 319 G HA2 0.581 4.542 3.960 0.001 0.000 0.313 319 G HA3 0.581 4.542 3.960 0.001 0.000 0.313 319 G C -0.464 174.069 174.900 -0.612 0.000 1.238 319 G CA -0.491 43.894 45.100 -1.191 0.000 0.994 319 G HN 0.269 nan 8.290 nan 0.000 0.493 320 N N -1.289 117.078 118.700 -0.554 0.000 2.319 320 N HA 0.492 5.232 4.740 0.001 0.000 0.305 320 N C -1.106 174.297 175.510 -0.178 0.000 1.103 320 N CA -0.604 52.266 53.050 -0.301 0.000 0.815 320 N CB 2.167 40.440 38.487 -0.356 0.000 1.288 320 N HN 0.384 nan 8.380 nan 0.000 0.493 321 L N 1.739 122.944 121.223 -0.030 0.000 2.282 321 L HA 0.564 4.905 4.340 0.001 0.000 0.288 321 L C -1.204 175.713 176.870 0.078 0.000 1.033 321 L CA -0.567 54.322 54.840 0.082 0.000 0.807 321 L CB 0.768 42.884 42.059 0.095 0.000 1.209 321 L HN 0.425 nan 8.230 nan 0.000 0.423 322 L N 6.303 127.521 121.223 -0.009 0.000 2.371 322 L HA 0.474 4.814 4.340 0.001 0.000 0.262 322 L C -1.131 175.672 176.870 -0.111 0.000 1.054 322 L CA -0.338 54.401 54.840 -0.168 0.000 0.924 322 L CB 0.869 42.772 42.059 -0.259 0.000 1.295 322 L HN 0.697 nan 8.230 nan 0.000 0.441 323 L N 4.117 125.325 121.223 -0.024 0.000 2.319 323 L HA 0.394 4.734 4.340 0.001 0.000 0.280 323 L C 0.033 176.898 176.870 -0.008 0.000 1.099 323 L CA 0.292 55.136 54.840 0.006 0.000 0.828 323 L CB 0.746 42.896 42.059 0.152 0.000 1.150 323 L HN 0.704 nan 8.230 nan 0.000 0.442 324 N N 3.291 121.993 118.700 0.003 0.000 2.472 324 N HA 0.478 5.219 4.740 0.001 0.000 0.277 324 N C -1.024 174.440 175.510 -0.077 0.000 1.081 324 N CA -0.452 52.617 53.050 0.031 0.000 0.973 324 N CB 1.200 39.704 38.487 0.027 0.000 1.105 324 N HN 0.483 nan 8.380 nan 0.000 0.470 325 V N 1.026 120.894 119.914 -0.078 0.000 2.555 325 V HA 0.868 4.989 4.120 0.001 0.000 0.302 325 V C 0.290 176.340 176.094 -0.073 0.000 1.038 325 V CA -0.750 61.490 62.300 -0.099 0.000 0.887 325 V CB 1.341 33.085 31.823 -0.131 0.000 0.991 325 V HN 0.670 nan 8.190 nan 0.000 0.434 326 G N 5.165 113.945 108.800 -0.032 0.000 2.873 326 G HA2 0.654 4.615 3.960 0.001 0.000 0.340 326 G HA3 0.654 4.615 3.960 0.001 0.000 0.340 326 G C -2.777 172.140 174.900 0.030 0.000 1.171 326 G CA -1.544 43.597 45.100 0.069 0.000 1.113 326 G HN 0.668 nan 8.290 nan 0.000 0.471 327 P HA 0.182 nan 4.420 nan 0.000 0.273 327 P C 0.168 177.457 177.300 -0.019 0.000 1.250 327 P CA -0.222 62.774 63.100 -0.172 0.000 0.793 327 P CB 1.028 32.450 31.700 -0.464 0.000 1.011 328 K N -0.201 120.153 120.400 -0.078 0.000 2.090 328 K HA 0.355 4.676 4.320 0.001 0.000 0.249 328 K C 1.846 178.678 176.600 0.387 0.000 0.995 328 K CA -0.242 56.025 56.287 -0.033 0.000 0.914 328 K CB 0.107 32.493 32.500 -0.190 0.000 1.057 328 K HN 0.478 nan 8.250 nan 0.000 0.462 329 G N 1.261 110.254 108.800 0.322 0.000 2.475 329 G HA2 -0.300 3.661 3.960 0.001 0.000 0.220 329 G HA3 -0.300 3.661 3.960 0.001 0.000 0.220 329 G C 0.909 176.110 174.900 0.502 0.000 1.125 329 G CA 1.463 46.810 45.100 0.410 0.000 0.755 329 G HN 0.855 nan 8.290 nan 0.000 0.565 330 D N -0.640 119.964 120.400 0.340 0.000 2.363 330 D HA 0.210 4.850 4.640 0.001 0.000 0.226 330 D C 1.748 178.258 176.300 0.351 0.000 1.020 330 D CA 0.855 55.022 54.000 0.279 0.000 0.892 330 D CB -0.584 40.324 40.800 0.180 0.000 0.900 330 D HN 0.584 nan 8.370 nan 0.000 0.531 331 G N -0.126 108.969 108.800 0.492 0.000 2.176 331 G HA2 -0.254 3.706 3.960 0.001 0.000 0.253 331 G HA3 -0.254 3.706 3.960 0.001 0.000 0.253 331 G C 0.441 175.603 174.900 0.437 0.000 0.979 331 G CA 0.522 45.879 45.100 0.428 0.000 0.641 331 G HN 0.805 nan 8.290 nan 0.000 0.530 332 T N -0.903 113.817 114.554 0.276 0.000 2.922 332 T HA 0.713 5.063 4.350 0.001 0.000 0.285 332 T C 0.404 175.150 174.700 0.076 0.000 1.005 332 T CA -0.771 61.458 62.100 0.214 0.000 1.061 332 T CB 2.146 71.077 68.868 0.106 0.000 1.007 332 T HN 0.441 nan 8.240 nan 0.000 0.502 333 I N 3.192 123.772 120.570 0.017 0.000 2.297 333 I HA 0.278 4.449 4.170 0.001 0.000 0.291 333 I C -2.128 173.930 176.117 -0.098 0.000 1.033 333 I CA -2.564 58.661 61.300 -0.125 0.000 1.253 333 I CB 1.066 38.938 38.000 -0.213 0.000 1.396 333 I HN 0.445 nan 8.210 nan 0.000 0.476 334 P HA -0.092 nan 4.420 nan 0.000 0.263 334 P C 0.264 177.550 177.300 -0.022 0.000 1.168 334 P CA 0.208 63.264 63.100 -0.075 0.000 0.759 334 P CB 0.521 32.196 31.700 -0.042 0.000 0.782 335 D N 2.031 122.431 120.400 -0.001 0.000 2.149 335 D HA -0.164 4.476 4.640 0.001 0.000 0.194 335 D C 1.872 178.178 176.300 0.011 0.000 1.001 335 D CA 1.405 55.409 54.000 0.006 0.000 0.849 335 D CB -0.169 40.640 40.800 0.015 0.000 0.939 335 D HN 0.379 nan 8.370 nan 0.000 0.449 336 L N 0.410 121.647 121.223 0.023 0.000 2.042 336 L HA -0.226 4.114 4.340 0.001 0.000 0.210 336 L C 2.546 179.423 176.870 0.011 0.000 1.076 336 L CA 1.259 56.112 54.840 0.022 0.000 0.749 336 L CB -0.347 41.736 42.059 0.040 0.000 0.893 336 L HN 0.069 nan 8.230 nan 0.000 0.432 337 Q N -0.435 119.370 119.800 0.008 0.000 2.096 337 Q HA -0.197 4.143 4.340 0.001 0.000 0.197 337 Q C 2.200 178.197 176.000 -0.005 0.000 0.964 337 Q CA 1.023 56.823 55.803 -0.005 0.000 0.838 337 Q CB -0.018 28.710 28.738 -0.017 0.000 0.906 337 Q HN 0.354 nan 8.270 nan 0.000 0.444 338 K N 1.177 121.571 120.400 -0.011 0.000 2.097 338 K HA -0.195 4.126 4.320 0.001 0.000 0.206 338 K C 1.697 178.301 176.600 0.007 0.000 1.049 338 K CA 1.291 57.573 56.287 -0.008 0.000 0.933 338 K CB 0.178 32.665 32.500 -0.020 0.000 0.717 338 K HN 0.163 nan 8.250 nan 0.000 0.442 339 E N -0.143 120.060 120.200 0.005 0.000 2.072 339 E HA -0.148 4.202 4.350 0.001 0.000 0.191 339 E C 2.084 178.690 176.600 0.009 0.000 0.985 339 E CA 1.095 57.500 56.400 0.008 0.000 0.801 339 E CB 0.105 29.808 29.700 0.006 0.000 0.750 339 E HN 0.225 nan 8.360 nan 0.000 0.452 340 R N 0.379 120.880 120.500 0.002 0.000 2.096 340 R HA -0.091 4.249 4.340 0.001 0.000 0.235 340 R C 2.453 178.761 176.300 0.012 0.000 1.127 340 R CA 0.856 56.951 56.100 -0.009 0.000 0.968 340 R CB -0.321 29.965 30.300 -0.023 0.000 0.861 340 R HN 0.188 nan 8.270 nan 0.000 0.440 341 L N 0.658 121.905 121.223 0.039 0.000 2.042 341 L HA -0.218 4.122 4.340 0.001 0.000 0.210 341 L C 2.387 179.315 176.870 0.097 0.000 1.076 341 L CA 1.321 56.215 54.840 0.092 0.000 0.749 341 L CB -0.387 41.741 42.059 0.114 0.000 0.893 341 L HN 0.241 nan 8.230 nan 0.000 0.432 342 L N -0.833 120.429 121.223 0.066 0.000 2.017 342 L HA -0.141 4.200 4.340 0.001 0.000 0.208 342 L C 2.687 179.598 176.870 0.069 0.000 1.073 342 L CA 1.469 56.347 54.840 0.065 0.000 0.745 342 L CB -1.215 40.868 42.059 0.040 0.000 0.894 342 L HN 0.314 nan 8.230 nan 0.000 0.432 343 G N 0.235 109.064 108.800 0.048 0.000 2.440 343 G HA2 -0.309 3.651 3.960 0.001 0.000 0.218 343 G HA3 -0.309 3.651 3.960 0.001 0.000 0.218 343 G C 1.575 176.523 174.900 0.081 0.000 1.154 343 G CA 0.945 46.077 45.100 0.052 0.000 0.767 343 G HN 0.231 nan 8.290 nan 0.000 0.552 344 L N 1.568 122.819 121.223 0.047 0.000 2.056 344 L HA 0.174 4.515 4.340 0.001 0.000 0.207 344 L C 2.782 179.738 176.870 0.143 0.000 1.078 344 L CA 2.307 57.169 54.840 0.036 0.000 0.749 344 L CB -1.012 40.997 42.059 -0.084 0.000 0.901 344 L HN 0.155 nan 8.230 nan 0.000 0.433 345 G N -1.211 107.680 108.800 0.152 0.000 2.422 345 G HA2 -0.265 3.695 3.960 0.001 0.000 0.218 345 G HA3 -0.265 3.695 3.960 0.001 0.000 0.218 345 G C 1.444 176.440 174.900 0.160 0.000 1.146 345 G CA 0.842 46.053 45.100 0.185 0.000 0.769 345 G HN 0.511 nan 8.290 nan 0.000 0.547 346 E N -0.752 119.530 120.200 0.137 0.000 2.038 346 E HA -0.172 4.178 4.350 0.001 0.000 0.195 346 E C 2.009 178.686 176.600 0.128 0.000 1.000 346 E CA 1.076 57.540 56.400 0.105 0.000 0.803 346 E CB -0.272 29.487 29.700 0.098 0.000 0.750 346 E HN 0.617 nan 8.360 nan 0.000 0.448 347 W N 1.045 122.371 121.300 0.043 0.000 2.338 347 W HA -0.180 4.481 4.660 0.001 0.000 0.304 347 W C 1.742 178.326 176.519 0.109 0.000 1.212 347 W CA 1.307 58.714 57.345 0.104 0.000 1.264 347 W CB -0.160 29.345 29.460 0.075 0.000 1.142 347 W HN 0.018 nan 8.180 nan 0.000 0.512 348 L N 0.222 121.604 121.223 0.265 0.000 2.201 348 L HA -0.141 4.199 4.340 0.001 0.000 0.212 348 L C 2.756 179.651 176.870 0.041 0.000 1.105 348 L CA 1.247 56.166 54.840 0.130 0.000 0.775 348 L CB -0.689 41.522 42.059 0.254 0.000 0.913 348 L HN -0.054 nan 8.230 nan 0.000 0.440 349 R N 0.019 120.531 120.500 0.020 0.000 2.090 349 R HA -0.137 4.203 4.340 0.001 0.000 0.228 349 R C 2.166 178.384 176.300 -0.137 0.000 1.110 349 R CA 1.258 57.351 56.100 -0.012 0.000 0.973 349 R CB 0.111 30.407 30.300 -0.007 0.000 0.869 349 R HN 0.329 nan 8.270 nan 0.000 0.440 350 K N -0.882 119.332 120.400 -0.309 0.000 2.005 350 K HA -0.105 4.215 4.320 0.001 0.000 0.206 350 K C 1.539 177.809 176.600 -0.550 0.000 1.044 350 K CA 1.357 57.323 56.287 -0.534 0.000 0.942 350 K CB -0.053 31.922 32.500 -0.874 0.000 0.727 350 K HN 0.206 nan 8.250 nan 0.000 0.439 351 Y N 0.414 120.396 120.300 -0.529 0.000 2.457 351 Y HA 0.183 4.733 4.550 0.001 0.000 0.263 351 Y C 2.074 177.650 175.900 -0.539 0.000 1.164 351 Y CA -0.096 57.612 58.100 -0.653 0.000 1.274 351 Y CB -0.407 37.202 38.460 -1.420 0.000 1.097 351 Y HN 0.140 nan 8.280 nan 0.000 0.523 352 G N 0.429 109.120 108.800 -0.181 0.000 2.550 352 G HA2 -0.397 3.563 3.960 0.001 0.000 0.222 352 G HA3 -0.397 3.563 3.960 0.001 0.000 0.222 352 G C 1.345 176.260 174.900 0.025 0.000 1.113 352 G CA 1.656 46.742 45.100 -0.024 0.000 0.748 352 G HN 0.392 nan 8.290 nan 0.000 0.585 353 D N 0.343 120.766 120.400 0.038 0.000 2.264 353 D HA 0.131 4.771 4.640 0.001 0.000 0.208 353 D C 2.368 178.406 176.300 -0.436 0.000 0.966 353 D CA 1.024 55.026 54.000 0.003 0.000 0.864 353 D CB -0.227 40.680 40.800 0.178 0.000 0.933 353 D HN 0.280 nan 8.370 nan 0.000 0.499 354 A N -0.558 121.769 122.820 -0.823 0.000 2.307 354 A HA 0.205 4.526 4.320 0.001 0.000 0.218 354 A C 1.376 178.581 177.584 -0.632 0.000 1.228 354 A CA 0.025 51.157 52.037 -1.509 0.000 0.857 354 A CB -0.016 18.102 19.000 -1.470 0.000 0.897 354 A HN 0.214 nan 8.150 nan 0.000 0.495 355 I N -2.463 117.880 120.570 -0.378 0.000 3.664 355 I HA 0.148 4.319 4.170 0.001 0.000 0.251 355 I C 0.180 176.209 176.117 -0.147 0.000 1.134 355 I CA 0.021 61.170 61.300 -0.252 0.000 1.520 355 I CB -1.283 36.514 38.000 -0.337 0.000 1.638 355 I HN 0.250 nan 8.210 nan 0.000 0.431 356 Y N 2.150 122.441 120.300 -0.016 0.000 2.712 356 Y HA 0.314 4.865 4.550 0.001 0.000 0.333 356 Y C 1.677 177.592 175.900 0.025 0.000 1.225 356 Y CA 1.051 59.165 58.100 0.024 0.000 1.499 356 Y CB -0.037 38.450 38.460 0.044 0.000 1.288 356 Y HN 0.523 nan 8.280 nan 0.000 0.575 357 G N 1.240 110.163 108.800 0.206 0.000 2.189 357 G HA2 -0.332 3.629 3.960 0.001 0.000 0.267 357 G HA3 -0.332 3.629 3.960 0.001 0.000 0.267 357 G C 0.267 175.245 174.900 0.131 0.000 0.975 357 G CA 0.422 45.611 45.100 0.149 0.000 0.644 357 G HN 0.925 nan 8.290 nan 0.000 0.537 358 T N -1.893 112.730 114.554 0.116 0.000 2.824 358 T HA 0.742 5.092 4.350 0.001 0.000 0.277 358 T C 0.342 175.115 174.700 0.120 0.000 0.975 358 T CA 0.398 62.584 62.100 0.143 0.000 0.966 358 T CB 2.047 71.004 68.868 0.148 0.000 1.054 358 T HN 0.546 nan 8.240 nan 0.000 0.533 359 S N -0.277 115.510 115.700 0.145 0.000 2.671 359 S HA 0.664 5.135 4.470 0.001 0.000 0.299 359 S C 0.111 174.809 174.600 0.162 0.000 1.116 359 S CA -0.777 57.502 58.200 0.131 0.000 0.912 359 S CB 1.542 64.818 63.200 0.125 0.000 1.130 359 S HN 1.018 nan 8.310 nan 0.000 0.501 360 V N 0.072 120.078 119.914 0.153 0.000 3.051 360 V HA 0.500 4.621 4.120 0.001 0.000 0.306 360 V C -0.003 176.243 176.094 0.252 0.000 1.083 360 V CA -0.366 62.046 62.300 0.186 0.000 1.104 360 V CB 0.267 32.171 31.823 0.135 0.000 1.027 360 V HN 0.899 nan 8.190 nan 0.000 0.483 361 W N 1.636 122.965 121.300 0.048 0.000 2.600 361 W HA 0.456 5.117 4.660 0.001 0.000 0.517 361 W C 1.640 178.133 176.519 -0.044 0.000 1.750 361 W CA -0.355 56.985 57.345 -0.008 0.000 1.805 361 W CB 1.050 30.491 29.460 -0.031 0.000 2.314 361 W HN 0.755 nan 8.180 nan 0.000 0.726 362 E N 0.013 119.693 120.200 -0.868 0.000 2.152 362 E HA -0.086 4.265 4.350 0.001 0.000 0.192 362 E C 0.131 176.450 176.600 -0.469 0.000 0.983 362 E CA 1.004 56.961 56.400 -0.739 0.000 0.818 362 E CB 0.057 29.107 29.700 -1.084 0.000 0.758 362 E HN 0.187 nan 8.360 nan 0.000 0.467 363 R N -0.708 119.538 120.500 -0.423 0.000 2.698 363 R HA 0.332 4.673 4.340 0.001 0.000 0.275 363 R C 0.646 177.049 176.300 0.171 0.000 1.001 363 R CA -0.373 55.643 56.100 -0.140 0.000 0.896 363 R CB 0.622 30.800 30.300 -0.203 0.000 1.218 363 R HN 0.068 nan 8.270 nan 0.000 0.462 364 C N -1.341 118.086 119.300 0.212 0.000 2.512 364 C HA 0.431 4.892 4.460 0.001 0.000 0.276 364 C C 0.573 175.797 174.990 0.391 0.000 1.368 364 C CA -0.093 59.105 59.018 0.300 0.000 1.755 364 C CB -0.792 27.042 27.740 0.156 0.000 2.008 364 C HN 0.655 nan 8.230 nan 0.000 0.511 365 C N 0.744 120.256 119.300 0.352 0.000 3.080 365 C HA 0.951 5.412 4.460 0.001 0.000 0.307 365 C C 0.260 175.440 174.990 0.317 0.000 1.311 365 C CA 0.307 59.461 59.018 0.226 0.000 1.533 365 C CB 1.005 28.796 27.740 0.084 0.000 1.970 365 C HN 0.930 nan 8.230 nan 0.000 0.467 366 A N 1.119 124.002 122.820 0.105 0.000 2.493 366 A HA 0.983 5.303 4.320 0.001 0.000 0.300 366 A C -1.730 175.816 177.584 -0.064 0.000 1.152 366 A CA -0.577 51.516 52.037 0.094 0.000 0.643 366 A CB 1.453 20.601 19.000 0.245 0.000 1.316 366 A HN 1.098 nan 8.150 nan 0.000 0.469 367 K N -0.591 119.781 120.400 -0.047 0.000 2.568 367 K HA 0.651 4.971 4.320 0.001 0.000 0.273 367 K C -0.734 175.848 176.600 -0.029 0.000 0.951 367 K CA -0.021 56.222 56.287 -0.074 0.000 0.854 367 K CB 1.536 34.009 32.500 -0.046 0.000 1.424 367 K HN 1.097 nan 8.250 nan 0.000 0.427 368 T N -1.501 113.048 114.554 -0.008 0.000 2.904 368 T HA 0.081 4.432 4.350 0.001 0.000 0.290 368 T C 1.120 175.845 174.700 0.043 0.000 1.018 368 T CA -0.272 61.861 62.100 0.056 0.000 1.075 368 T CB 1.485 70.429 68.868 0.127 0.000 0.986 368 T HN 0.868 nan 8.240 nan 0.000 0.523 369 E N 1.135 121.366 120.200 0.052 0.000 2.253 369 E HA -0.265 4.086 4.350 0.001 0.000 0.202 369 E C 0.990 177.609 176.600 0.031 0.000 1.014 369 E CA 1.833 58.257 56.400 0.040 0.000 0.823 369 E CB -0.142 29.586 29.700 0.045 0.000 0.736 369 E HN 0.859 nan 8.360 nan 0.000 0.478 370 D N -1.920 118.502 120.400 0.036 0.000 2.358 370 D HA 0.086 4.726 4.640 0.001 0.000 0.224 370 D C 1.055 177.365 176.300 0.018 0.000 1.123 370 D CA 0.532 54.548 54.000 0.027 0.000 0.833 370 D CB 0.755 41.573 40.800 0.031 0.000 0.946 370 D HN 0.332 nan 8.370 nan 0.000 0.505 371 G N 0.659 109.466 108.800 0.012 0.000 2.175 371 G HA2 -0.248 3.712 3.960 0.001 0.000 0.244 371 G HA3 -0.248 3.712 3.960 0.001 0.000 0.244 371 G C 0.331 175.221 174.900 -0.017 0.000 0.982 371 G CA 0.141 45.239 45.100 -0.004 0.000 0.641 371 G HN 0.376 nan 8.290 nan 0.000 0.527 372 T N 2.394 116.948 114.554 -0.000 0.000 2.749 372 T HA 0.458 4.809 4.350 0.001 0.000 0.295 372 T C 0.286 174.944 174.700 -0.071 0.000 0.936 372 T CA -0.258 61.834 62.100 -0.014 0.000 1.060 372 T CB 1.304 70.219 68.868 0.077 0.000 0.904 372 T HN 0.251 nan 8.240 nan 0.000 0.500 373 E N 2.736 122.853 120.200 -0.139 0.000 2.383 373 E HA 0.340 4.691 4.350 0.001 0.000 0.264 373 E C -0.067 176.353 176.600 -0.300 0.000 1.050 373 E CA 0.018 56.301 56.400 -0.195 0.000 0.896 373 E CB 1.116 30.697 29.700 -0.197 0.000 0.982 373 E HN 0.528 nan 8.360 nan 0.000 0.424 374 I N 2.148 122.494 120.570 -0.373 0.000 2.730 374 I HA 0.381 4.551 4.170 0.001 0.000 0.298 374 I C -0.134 175.646 176.117 -0.561 0.000 1.089 374 I CA -0.930 60.008 61.300 -0.604 0.000 1.041 374 I CB 1.740 39.240 38.000 -0.834 0.000 1.235 374 I HN 0.064 nan 8.210 nan 0.000 0.423 375 R N 3.913 124.029 120.500 -0.640 0.000 2.725 375 R HA 0.634 4.975 4.340 0.001 0.000 0.277 375 R C -1.602 174.342 176.300 -0.595 0.000 0.987 375 R CA -0.884 54.948 56.100 -0.448 0.000 0.901 375 R CB 1.960 32.133 30.300 -0.210 0.000 1.207 375 R HN 0.347 nan 8.270 nan 0.000 0.463 376 F N -0.143 119.817 119.950 0.017 0.000 2.522 376 F HA 0.642 5.170 4.527 0.001 0.000 0.324 376 F C 0.860 176.709 175.800 0.080 0.000 1.077 376 F CA -0.544 57.469 58.000 0.022 0.000 0.944 376 F CB 2.262 41.330 39.000 0.113 0.000 1.175 376 F HN 0.486 nan 8.300 nan 0.000 0.468 377 T N -0.651 114.065 114.554 0.269 0.000 2.864 377 T HA 0.740 5.090 4.350 0.001 0.000 0.299 377 T C -1.183 173.676 174.700 0.265 0.000 1.166 377 T CA -1.079 61.185 62.100 0.273 0.000 1.007 377 T CB 2.557 71.560 68.868 0.225 0.000 1.219 377 T HN 0.818 nan 8.240 nan 0.000 0.506 378 R N -0.077 120.577 120.500 0.257 0.000 2.725 378 R HA 0.677 5.018 4.340 0.001 0.000 0.277 378 R C -1.607 174.825 176.300 0.220 0.000 0.987 378 R CA -0.864 55.319 56.100 0.139 0.000 0.901 378 R CB 1.707 32.088 30.300 0.135 0.000 1.207 378 R HN 0.736 nan 8.270 nan 0.000 0.463 379 K N 3.537 124.021 120.400 0.140 0.000 2.705 379 K HA 0.284 4.605 4.320 0.001 0.000 0.238 379 K C -0.567 176.073 176.600 0.066 0.000 0.996 379 K CA -0.567 55.830 56.287 0.183 0.000 1.007 379 K CB 0.841 33.555 32.500 0.356 0.000 1.206 379 K HN 0.872 nan 8.250 nan 0.000 0.488 380 C N 1.122 120.462 119.300 0.067 0.000 1.976 380 C HA -0.346 4.114 4.460 0.001 0.000 0.111 380 C C 1.848 176.845 174.990 0.011 0.000 0.830 380 C CA 1.704 60.748 59.018 0.043 0.000 0.873 380 C CB -1.459 26.307 27.740 0.043 0.000 3.215 380 C HN 1.045 nan 8.230 nan 0.000 1.057 381 N N 1.630 120.322 118.700 -0.012 0.000 2.446 381 N HA 0.072 4.813 4.740 0.001 0.000 0.179 381 N C 0.297 175.733 175.510 -0.123 0.000 1.054 381 N CA 0.692 53.720 53.050 -0.037 0.000 0.905 381 N CB -0.240 38.236 38.487 -0.018 0.000 0.973 381 N HN 0.688 nan 8.380 nan 0.000 0.448 382 R N 0.680 121.073 120.500 -0.179 0.000 2.298 382 R HA 0.367 4.708 4.340 0.001 0.000 0.310 382 R C -0.483 175.438 176.300 -0.632 0.000 1.068 382 R CA -0.209 55.658 56.100 -0.388 0.000 0.957 382 R CB 0.897 30.956 30.300 -0.402 0.000 1.003 382 R HN 0.153 nan 8.270 nan 0.000 0.454 383 I N 4.255 124.408 120.570 -0.696 0.000 2.362 383 I HA 0.259 4.429 4.170 0.001 0.000 0.289 383 I C -0.495 175.179 176.117 -0.738 0.000 0.994 383 I CA -0.605 60.244 61.300 -0.752 0.000 1.158 383 I CB 0.959 38.436 38.000 -0.872 0.000 1.315 383 I HN 0.377 nan 8.210 nan 0.000 0.451 384 F N 5.589 125.442 119.950 -0.161 0.000 2.396 384 F HA 0.413 4.940 4.527 0.001 0.000 0.343 384 F C 0.231 175.947 175.800 -0.140 0.000 1.104 384 F CA -0.784 57.133 58.000 -0.138 0.000 1.161 384 F CB 1.166 40.068 39.000 -0.162 0.000 1.146 384 F HN 0.031 nan 8.300 nan 0.000 0.522 385 V N 5.475 125.390 119.914 0.003 0.000 2.313 385 V HA 0.371 4.491 4.120 0.001 0.000 0.278 385 V C -0.121 175.901 176.094 -0.119 0.000 1.017 385 V CA -0.604 61.600 62.300 -0.159 0.000 0.823 385 V CB 1.000 32.780 31.823 -0.072 0.000 1.010 385 V HN 0.550 nan 8.190 nan 0.000 0.443 386 I N 5.315 125.726 120.570 -0.265 0.000 2.382 386 I HA 0.449 4.620 4.170 0.001 0.000 0.285 386 I C -0.682 175.301 176.117 -0.222 0.000 1.007 386 I CA -0.301 60.910 61.300 -0.147 0.000 1.142 386 I CB 1.274 39.188 38.000 -0.142 0.000 1.289 386 I HN 0.351 nan 8.210 nan 0.000 0.453 387 F N 5.882 125.701 119.950 -0.219 0.000 2.396 387 F HA 0.321 4.848 4.527 0.001 0.000 0.343 387 F C 0.573 176.221 175.800 -0.254 0.000 1.104 387 F CA -0.604 57.266 58.000 -0.217 0.000 1.161 387 F CB 0.830 39.743 39.000 -0.146 0.000 1.146 387 F HN 0.247 nan 8.300 nan 0.000 0.522 388 L N 4.285 125.368 121.223 -0.234 0.000 2.399 388 L HA 0.544 4.884 4.340 0.001 0.000 0.257 388 L C 0.564 177.102 176.870 -0.553 0.000 1.236 388 L CA -0.240 54.220 54.840 -0.633 0.000 1.144 388 L CB -1.072 40.412 42.059 -0.958 0.000 1.379 388 L HN 0.894 nan 8.230 nan 0.000 0.414 389 G N 2.037 110.771 108.800 -0.110 0.000 2.359 389 G HA2 0.092 4.053 3.960 0.001 0.000 0.303 389 G HA3 0.092 4.053 3.960 0.001 0.000 0.303 389 G C -1.272 173.661 174.900 0.055 0.000 1.293 389 G CA -0.984 44.147 45.100 0.051 0.000 0.964 389 G HN 0.152 nan 8.290 nan 0.000 0.531 390 I N 1.383 121.978 120.570 0.040 0.000 2.411 390 I HA 0.324 4.494 4.170 0.001 0.000 0.284 390 I C -2.274 173.824 176.117 -0.033 0.000 1.012 390 I CA -1.753 59.540 61.300 -0.010 0.000 1.119 390 I CB 1.737 39.754 38.000 0.028 0.000 1.261 390 I HN 0.191 nan 8.210 nan 0.000 0.448 391 P HA 0.039 nan 4.420 nan 0.000 0.265 391 P C 1.059 178.332 177.300 -0.043 0.000 1.187 391 P CA 0.028 63.087 63.100 -0.067 0.000 0.766 391 P CB 0.652 32.269 31.700 -0.138 0.000 0.820 392 T N -0.532 114.012 114.554 -0.017 0.000 2.809 392 T HA 0.076 4.426 4.350 0.001 0.000 0.260 392 T C 1.103 175.796 174.700 -0.011 0.000 1.039 392 T CA 0.607 62.702 62.100 -0.008 0.000 1.141 392 T CB -0.847 68.022 68.868 0.002 0.000 0.869 392 T HN 0.476 nan 8.240 nan 0.000 0.437 393 G N 0.812 109.607 108.800 -0.008 0.000 2.476 393 G HA2 0.384 4.345 3.960 0.001 0.000 0.269 393 G HA3 0.384 4.345 3.960 0.001 0.000 0.269 393 G C 0.399 175.292 174.900 -0.012 0.000 1.195 393 G CA -0.610 44.487 45.100 -0.005 0.000 0.843 393 G HN 0.484 nan 8.290 nan 0.000 0.545 394 E N 0.109 120.305 120.200 -0.006 0.000 2.427 394 E HA -0.038 4.312 4.350 0.001 0.000 0.196 394 E C 0.816 177.421 176.600 0.007 0.000 1.028 394 E CA 0.351 56.747 56.400 -0.006 0.000 0.864 394 E CB 0.284 29.982 29.700 -0.002 0.000 0.813 394 E HN 0.367 nan 8.360 nan 0.000 0.514 395 K N 1.775 122.184 120.400 0.015 0.000 2.262 395 K HA 0.303 4.623 4.320 0.001 0.000 0.282 395 K C -0.966 175.658 176.600 0.040 0.000 1.066 395 K CA -0.162 56.144 56.287 0.031 0.000 0.901 395 K CB 0.559 33.077 32.500 0.031 0.000 1.089 395 K HN -0.053 nan 8.250 nan 0.000 0.476 396 I N 5.052 125.660 120.570 0.062 0.000 2.410 396 I HA 0.183 4.353 4.170 0.001 0.000 0.286 396 I C -0.819 175.374 176.117 0.126 0.000 1.009 396 I CA -1.092 60.265 61.300 0.095 0.000 1.111 396 I CB 2.009 40.066 38.000 0.097 0.000 1.262 396 I HN 0.241 nan 8.210 nan 0.000 0.443 397 V N 7.460 127.445 119.914 0.117 0.000 2.328 397 V HA 0.415 4.536 4.120 0.001 0.000 0.278 397 V C 0.209 176.373 176.094 0.117 0.000 1.021 397 V CA -0.475 61.890 62.300 0.109 0.000 0.838 397 V CB 1.226 33.095 31.823 0.078 0.000 0.999 397 V HN 0.476 nan 8.190 nan 0.000 0.447 398 I N 4.073 124.719 120.570 0.127 0.000 2.325 398 I HA 0.328 4.499 4.170 0.001 0.000 0.291 398 I C 0.614 176.784 176.117 0.089 0.000 1.019 398 I CA -0.340 61.022 61.300 0.103 0.000 1.302 398 I CB 1.104 39.172 38.000 0.114 0.000 1.401 398 I HN 0.631 nan 8.210 nan 0.000 0.485 399 E N 5.377 125.617 120.200 0.067 0.000 2.373 399 E HA 0.042 4.393 4.350 0.001 0.000 0.267 399 E C -0.586 176.052 176.600 0.064 0.000 1.032 399 E CA -0.219 56.216 56.400 0.058 0.000 0.889 399 E CB 0.413 30.137 29.700 0.040 0.000 0.984 399 E HN 0.491 nan 8.360 nan 0.000 0.425 400 D N 1.110 121.542 120.400 0.053 0.000 2.689 400 D HA -0.200 4.441 4.640 0.001 0.000 0.237 400 D C -1.010 175.324 176.300 0.057 0.000 1.148 400 D CA 0.785 54.812 54.000 0.045 0.000 0.656 400 D CB -1.049 39.771 40.800 0.032 0.000 1.050 400 D HN 0.101 nan 8.370 nan 0.000 0.426 401 L N -0.153 121.116 121.223 0.077 0.000 2.482 401 L HA 0.525 4.865 4.340 0.001 0.000 0.263 401 L C -1.333 175.600 176.870 0.105 0.000 0.957 401 L CA -0.454 54.445 54.840 0.098 0.000 0.836 401 L CB 2.046 44.197 42.059 0.155 0.000 1.324 401 L HN 0.041 nan 8.230 nan 0.000 0.406 402 N N 4.684 123.446 118.700 0.103 0.000 2.260 402 N HA 0.665 5.405 4.740 0.001 0.000 0.293 402 N C -1.693 173.902 175.510 0.142 0.000 1.058 402 N CA -0.697 52.424 53.050 0.118 0.000 0.824 402 N CB 2.348 40.883 38.487 0.081 0.000 1.551 402 N HN 0.464 nan 8.380 nan 0.000 0.475 403 L N 1.006 122.339 121.223 0.183 0.000 2.342 403 L HA 0.435 4.775 4.340 0.001 0.000 0.271 403 L C 0.865 177.856 176.870 0.202 0.000 1.008 403 L CA -0.377 54.570 54.840 0.177 0.000 0.818 403 L CB 1.951 44.079 42.059 0.115 0.000 1.296 403 L HN 0.634 nan 8.230 nan 0.000 0.427 404 S N -0.534 115.259 115.700 0.156 0.000 2.663 404 S HA 0.200 4.670 4.470 0.001 0.000 0.243 404 S C 1.105 175.788 174.600 0.138 0.000 1.009 404 S CA 0.143 58.425 58.200 0.137 0.000 0.988 404 S CB 0.792 64.047 63.200 0.092 0.000 0.896 404 S HN 0.672 nan 8.310 nan 0.000 0.502 405 A N 2.126 125.034 122.820 0.146 0.000 1.877 405 A HA 0.417 4.738 4.320 0.001 0.000 0.216 405 A C 2.197 179.889 177.584 0.180 0.000 1.186 405 A CA 1.697 53.793 52.037 0.098 0.000 0.620 405 A CB -1.415 17.567 19.000 -0.031 0.000 0.822 405 A HN 1.602 nan 8.150 nan 0.000 0.443 406 G N -2.599 106.449 108.800 0.414 0.000 2.336 406 G HA2 -0.190 3.770 3.960 0.001 0.000 0.233 406 G HA3 -0.190 3.770 3.960 0.001 0.000 0.233 406 G C 0.627 175.814 174.900 0.477 0.000 1.053 406 G CA 1.208 46.542 45.100 0.389 0.000 0.625 406 G HN 1.641 nan 8.290 nan 0.000 0.511 407 T N -0.282 114.432 114.554 0.266 0.000 2.921 407 T HA 0.601 4.952 4.350 0.001 0.000 0.297 407 T C -1.258 173.387 174.700 -0.092 0.000 1.013 407 T CA 0.077 62.274 62.100 0.162 0.000 0.990 407 T CB 1.905 70.834 68.868 0.101 0.000 1.023 407 T HN 0.850 nan 8.240 nan 0.000 0.447 408 V N 6.689 126.513 119.914 -0.150 0.000 2.447 408 V HA 0.537 4.657 4.120 0.001 0.000 0.292 408 V C 0.118 176.191 176.094 -0.036 0.000 1.021 408 V CA -0.877 61.284 62.300 -0.232 0.000 0.850 408 V CB 1.462 32.983 31.823 -0.502 0.000 1.005 408 V HN 0.857 nan 8.190 nan 0.000 0.426 409 R N 2.082 122.587 120.500 0.008 0.000 2.607 409 R HA 0.521 4.862 4.340 0.001 0.000 0.261 409 R C -0.249 176.138 176.300 0.144 0.000 1.051 409 R CA -0.865 55.282 56.100 0.079 0.000 1.110 409 R CB 1.095 31.439 30.300 0.072 0.000 1.158 409 R HN 0.749 nan 8.270 nan 0.000 0.543 410 H N 2.732 121.843 119.070 0.069 0.000 2.685 410 H HA 0.028 4.585 4.556 0.001 0.000 0.286 410 H C 0.479 175.887 175.328 0.133 0.000 1.102 410 H CA -0.498 55.613 56.048 0.104 0.000 1.254 410 H CB 0.307 30.108 29.762 0.066 0.000 1.397 410 H HN 0.681 nan 8.280 nan 0.000 0.473 411 F N 4.558 124.415 119.950 -0.154 0.000 2.080 411 F HA -0.423 4.104 4.527 0.001 0.000 0.289 411 F C 1.548 177.341 175.800 -0.011 0.000 1.101 411 F CA 2.353 60.322 58.000 -0.052 0.000 1.267 411 F CB -0.219 38.776 39.000 -0.008 0.000 0.943 411 F HN 0.569 nan 8.300 nan 0.000 0.508 412 L N -0.680 120.461 121.223 -0.137 0.000 2.131 412 L HA -0.193 4.147 4.340 0.001 0.000 0.210 412 L C 2.401 179.243 176.870 -0.048 0.000 1.092 412 L CA 1.916 56.673 54.840 -0.137 0.000 0.759 412 L CB -0.877 41.233 42.059 0.084 0.000 0.903 412 L HN 0.515 nan 8.230 nan 0.000 0.435 413 T N -5.311 109.350 114.554 0.178 0.000 3.023 413 T HA 0.223 4.573 4.350 0.001 0.000 0.249 413 T C 1.522 176.242 174.700 0.034 0.000 1.050 413 T CA 0.591 62.739 62.100 0.081 0.000 1.088 413 T CB 0.781 69.682 68.868 0.056 0.000 0.946 413 T HN 0.390 nan 8.240 nan 0.000 0.480 414 G N 1.574 110.415 108.800 0.068 0.000 2.176 414 G HA2 -0.240 3.721 3.960 0.001 0.000 0.253 414 G HA3 -0.240 3.721 3.960 0.001 0.000 0.253 414 G C -0.151 174.784 174.900 0.059 0.000 0.979 414 G CA 0.043 45.158 45.100 0.026 0.000 0.641 414 G HN 0.650 nan 8.290 nan 0.000 0.530 415 E N 1.154 121.401 120.200 0.078 0.000 2.491 415 E HA 0.230 4.581 4.350 0.001 0.000 0.250 415 E C 1.003 177.648 176.600 0.075 0.000 1.061 415 E CA -0.278 56.154 56.400 0.052 0.000 0.942 415 E CB 0.357 30.061 29.700 0.006 0.000 0.957 415 E HN 0.395 nan 8.360 nan 0.000 0.480 416 R N 2.868 123.404 120.500 0.061 0.000 2.587 416 R HA -0.005 4.336 4.340 0.001 0.000 0.268 416 R C -0.478 175.875 176.300 0.088 0.000 0.978 416 R CA 0.783 56.927 56.100 0.074 0.000 1.097 416 R CB 0.276 30.616 30.300 0.067 0.000 0.917 416 R HN 0.445 nan 8.270 nan 0.000 0.414 417 L N 1.335 122.629 121.223 0.118 0.000 2.333 417 L HA 0.392 4.732 4.340 0.001 0.000 0.263 417 L C -0.394 176.609 176.870 0.221 0.000 1.014 417 L CA -0.946 53.976 54.840 0.137 0.000 0.820 417 L CB 2.195 44.330 42.059 0.127 0.000 1.352 417 L HN 0.589 nan 8.230 nan 0.000 0.421 418 S N 1.614 117.427 115.700 0.188 0.000 2.452 418 S HA 0.642 5.112 4.470 0.001 0.000 0.284 418 S C -0.800 173.971 174.600 0.285 0.000 1.171 418 S CA -0.435 57.881 58.200 0.195 0.000 1.064 418 S CB -0.098 63.158 63.200 0.094 0.000 0.967 418 S HN 0.393 nan 8.310 nan 0.000 0.484 419 F N 2.387 122.361 119.950 0.040 0.000 2.643 419 F HA 0.881 5.409 4.527 0.001 0.000 0.314 419 F C -1.198 174.626 175.800 0.040 0.000 1.096 419 F CA -1.173 56.855 58.000 0.047 0.000 0.953 419 F CB 1.259 40.293 39.000 0.058 0.000 1.345 419 F HN 0.654 nan 8.300 nan 0.000 0.468 420 K N 0.895 121.290 120.400 -0.008 0.000 2.589 420 K HA 0.367 4.687 4.320 0.001 0.000 0.265 420 K C -2.138 174.496 176.600 0.057 0.000 0.935 420 K CA -0.886 55.313 56.287 -0.146 0.000 0.850 420 K CB 1.350 33.761 32.500 -0.147 0.000 1.372 420 K HN 0.602 nan 8.250 nan 0.000 0.420 421 N N 2.246 120.980 118.700 0.057 0.000 2.400 421 N HA 0.078 4.818 4.740 0.001 0.000 0.267 421 N C -0.535 175.003 175.510 0.046 0.000 1.208 421 N CA -0.201 52.901 53.050 0.087 0.000 0.951 421 N CB 1.185 39.724 38.487 0.087 0.000 1.227 421 N HN 0.366 nan 8.380 nan 0.000 0.488 422 V N 2.397 122.344 119.914 0.054 0.000 2.162 422 V HA 0.317 4.438 4.120 0.001 0.000 0.255 422 V C 1.298 177.415 176.094 0.037 0.000 1.304 422 V CA 0.168 62.490 62.300 0.037 0.000 1.198 422 V CB -0.604 31.244 31.823 0.042 0.000 1.333 422 V HN 0.975 nan 8.190 nan 0.000 0.493 423 G N 4.680 113.498 108.800 0.031 0.000 2.554 423 G HA2 -0.297 3.664 3.960 0.001 0.000 0.253 423 G HA3 -0.297 3.664 3.960 0.001 0.000 0.253 423 G C 0.738 175.659 174.900 0.034 0.000 1.172 423 G CA 0.325 45.442 45.100 0.028 0.000 0.950 423 G HN 0.790 nan 8.290 nan 0.000 0.557 424 K N 1.129 121.548 120.400 0.032 0.000 2.444 424 K HA 0.300 4.620 4.320 0.001 0.000 0.193 424 K C 0.664 177.291 176.600 0.046 0.000 1.024 424 K CA 0.906 57.213 56.287 0.033 0.000 1.077 424 K CB 0.051 32.566 32.500 0.024 0.000 0.833 424 K HN 0.386 nan 8.250 nan 0.000 0.517 425 N N 0.450 119.184 118.700 0.056 0.000 2.592 425 N HA 0.463 5.204 4.740 0.001 0.000 0.292 425 N C -1.756 173.811 175.510 0.096 0.000 1.260 425 N CA -0.852 52.242 53.050 0.073 0.000 0.910 425 N CB 1.264 39.791 38.487 0.067 0.000 1.257 425 N HN 0.089 nan 8.380 nan 0.000 0.569 426 L N -0.443 120.851 121.223 0.119 0.000 2.436 426 L HA 0.512 4.853 4.340 0.001 0.000 0.268 426 L C -1.172 175.795 176.870 0.160 0.000 0.974 426 L CA -0.269 54.667 54.840 0.160 0.000 0.826 426 L CB 1.691 43.859 42.059 0.182 0.000 1.291 426 L HN 0.502 nan 8.230 nan 0.000 0.406 427 E N 5.304 125.607 120.200 0.172 0.000 2.187 427 E HA 0.673 5.023 4.350 0.001 0.000 0.268 427 E C -1.276 175.444 176.600 0.201 0.000 0.896 427 E CA -0.537 55.956 56.400 0.154 0.000 0.766 427 E CB 2.244 32.008 29.700 0.106 0.000 1.142 427 E HN 0.561 nan 8.360 nan 0.000 0.408 428 I N 1.386 122.063 120.570 0.178 0.000 2.686 428 I HA 0.294 4.465 4.170 0.001 0.000 0.295 428 I C -0.546 175.643 176.117 0.119 0.000 1.114 428 I CA -0.803 60.608 61.300 0.184 0.000 1.038 428 I CB 2.538 40.645 38.000 0.178 0.000 1.238 428 I HN 0.337 nan 8.210 nan 0.000 0.420 429 T N 4.576 119.195 114.554 0.107 0.000 2.756 429 T HA 0.449 4.800 4.350 0.001 0.000 0.290 429 T C -0.318 174.411 174.700 0.050 0.000 0.985 429 T CA -0.447 61.691 62.100 0.065 0.000 0.955 429 T CB 1.333 70.234 68.868 0.055 0.000 0.930 429 T HN 0.219 nan 8.240 nan 0.000 0.451 430 V N 6.502 126.429 119.914 0.021 0.000 2.313 430 V HA 0.307 4.428 4.120 0.001 0.000 0.278 430 V C -2.376 173.706 176.094 -0.019 0.000 1.017 430 V CA -2.425 59.877 62.300 0.004 0.000 0.823 430 V CB 1.056 32.868 31.823 -0.018 0.000 1.010 430 V HN 0.641 nan 8.190 nan 0.000 0.443 431 P HA 0.051 nan 4.420 nan 0.000 0.260 431 P C 0.824 178.091 177.300 -0.055 0.000 1.207 431 P CA -0.007 63.068 63.100 -0.041 0.000 0.780 431 P CB 0.556 32.224 31.700 -0.053 0.000 0.789 432 K N 5.981 126.360 120.400 -0.035 0.000 2.259 432 K HA -0.272 4.049 4.320 0.001 0.000 0.206 432 K C 1.638 178.216 176.600 -0.037 0.000 1.044 432 K CA 2.240 58.510 56.287 -0.029 0.000 0.931 432 K CB -0.208 32.282 32.500 -0.018 0.000 0.726 432 K HN 0.422 nan 8.250 nan 0.000 0.467 433 K N -0.108 120.262 120.400 -0.050 0.000 2.057 433 K HA -0.137 4.184 4.320 0.001 0.000 0.207 433 K C 1.911 178.459 176.600 -0.087 0.000 1.049 433 K CA 1.648 57.901 56.287 -0.056 0.000 0.931 433 K CB -0.326 32.139 32.500 -0.057 0.000 0.714 433 K HN 0.122 nan 8.250 nan 0.000 0.440 434 L N 0.993 122.123 121.223 -0.156 0.000 2.023 434 L HA -0.077 4.263 4.340 0.001 0.000 0.205 434 L C 2.675 179.485 176.870 -0.100 0.000 1.073 434 L CA 1.018 55.670 54.840 -0.314 0.000 0.745 434 L CB -0.727 40.936 42.059 -0.661 0.000 0.900 434 L HN 0.195 nan 8.230 nan 0.000 0.435 435 L N 0.134 121.335 121.223 -0.038 0.000 2.034 435 L HA -0.297 4.043 4.340 0.001 0.000 0.217 435 L C 2.376 179.279 176.870 0.054 0.000 1.077 435 L CA 1.627 56.489 54.840 0.036 0.000 0.769 435 L CB -0.472 41.581 42.059 -0.009 0.000 0.890 435 L HN 0.333 nan 8.230 nan 0.000 0.435 436 E N -1.364 118.849 120.200 0.021 0.000 2.472 436 E HA -0.171 4.180 4.350 0.001 0.000 0.200 436 E C 1.892 178.523 176.600 0.051 0.000 1.046 436 E CA 0.844 57.263 56.400 0.031 0.000 0.871 436 E CB 0.167 29.874 29.700 0.012 0.000 0.806 436 E HN 0.246 nan 8.360 nan 0.000 0.533 437 T N -0.052 114.542 114.554 0.066 0.000 3.035 437 T HA -0.030 4.320 4.350 0.001 0.000 0.259 437 T C 0.261 175.050 174.700 0.149 0.000 1.078 437 T CA -0.009 62.142 62.100 0.085 0.000 1.132 437 T CB 0.103 69.008 68.868 0.062 0.000 0.900 437 T HN 0.065 nan 8.240 nan 0.000 0.480 438 D N 0.975 121.508 120.400 0.222 0.000 2.382 438 D HA 0.105 4.746 4.640 0.001 0.000 0.240 438 D C 0.880 177.345 176.300 0.275 0.000 1.146 438 D CA 0.098 54.286 54.000 0.312 0.000 0.897 438 D CB 1.602 42.585 40.800 0.304 0.000 1.197 438 D HN 0.135 nan 8.370 nan 0.000 0.432 439 S N 0.659 116.605 115.700 0.410 0.000 2.297 439 S HA 0.070 4.540 4.470 0.001 0.000 0.200 439 S C 1.725 176.511 174.600 0.311 0.000 1.011 439 S CA 0.351 58.760 58.200 0.348 0.000 0.938 439 S CB 0.060 63.514 63.200 0.423 0.000 0.924 439 S HN 0.456 nan 8.310 nan 0.000 0.504 440 I N 0.495 121.308 120.570 0.405 0.000 4.312 440 I HA 0.175 4.346 4.170 0.001 0.000 0.324 440 I C -0.091 176.164 176.117 0.230 0.000 1.298 440 I CA 0.224 61.671 61.300 0.245 0.000 1.231 440 I CB 1.072 39.134 38.000 0.104 0.000 1.152 440 I HN 0.353 nan 8.210 nan 0.000 0.421 441 T N -0.420 114.258 114.554 0.206 0.000 2.886 441 T HA 0.569 4.920 4.350 0.001 0.000 0.292 441 T C -0.821 173.857 174.700 -0.037 0.000 1.012 441 T CA -0.689 61.459 62.100 0.081 0.000 0.982 441 T CB 2.339 71.238 68.868 0.052 0.000 1.018 441 T HN -0.052 nan 8.240 nan 0.000 0.451 442 L N 3.449 124.665 121.223 -0.012 0.000 2.349 442 L HA 0.749 5.089 4.340 0.001 0.000 0.275 442 L C -1.016 175.841 176.870 -0.022 0.000 1.115 442 L CA -0.219 54.577 54.840 -0.073 0.000 0.820 442 L CB 0.775 42.643 42.059 -0.318 0.000 1.135 442 L HN 0.655 nan 8.230 nan 0.000 0.445 443 V N 6.321 126.197 119.914 -0.064 0.000 2.588 443 V HA 0.516 4.636 4.120 0.001 0.000 0.304 443 V C -0.029 176.082 176.094 0.029 0.000 1.042 443 V CA -0.589 61.695 62.300 -0.028 0.000 0.877 443 V CB 1.551 33.243 31.823 -0.217 0.000 0.996 443 V HN 0.744 nan 8.190 nan 0.000 0.425 444 L N 3.067 124.361 121.223 0.119 0.000 2.303 444 L HA 0.766 5.106 4.340 0.001 0.000 0.266 444 L C -0.329 176.622 176.870 0.134 0.000 1.011 444 L CA -0.631 54.282 54.840 0.122 0.000 0.818 444 L CB 2.231 44.372 42.059 0.137 0.000 1.326 444 L HN 0.722 nan 8.230 nan 0.000 0.435 445 E N 0.817 121.081 120.200 0.106 0.000 2.256 445 E HA 0.723 5.074 4.350 0.001 0.000 0.268 445 E C -1.701 174.836 176.600 -0.106 0.000 0.877 445 E CA -0.641 55.774 56.400 0.025 0.000 0.757 445 E CB 2.217 32.034 29.700 0.196 0.000 1.183 445 E HN 0.694 nan 8.360 nan 0.000 0.418 446 A N 3.111 125.789 122.820 -0.237 0.000 2.374 446 A HA 0.725 5.046 4.320 0.001 0.000 0.317 446 A C -1.235 176.200 177.584 -0.248 0.000 1.094 446 A CA -0.638 51.248 52.037 -0.252 0.000 0.765 446 A CB 1.699 20.517 19.000 -0.304 0.000 1.268 446 A HN 0.378 nan 8.150 nan 0.000 0.438 447 V N 1.755 121.568 119.914 -0.168 0.000 2.709 447 V HA 0.462 4.583 4.120 0.001 0.000 0.308 447 V C -0.280 175.776 176.094 -0.063 0.000 1.062 447 V CA -0.700 61.529 62.300 -0.118 0.000 0.901 447 V CB 1.568 33.348 31.823 -0.071 0.000 1.003 447 V HN 1.082 nan 8.190 nan 0.000 0.425 448 E N 0.000 120.175 120.200 -0.042 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 0.024 0.000 0.812 448 E HN 0.000 nan 8.360 nan 0.000 0.440