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 3e2d_1_B DATA FIRST_RESID 1 DATA SEQUENCE AEIKNVILMI GDGMGPQQVG LLETYANQAP NSIYKGNKTA IYQLAQEGVI DATA SEQUENCE GSSLTHPEDA IVVDSACSAT MLATGIYSSS EVIGIDSQGN HVETVLEKAK DATA SEQUENCE KAGKATGLVS DTRLTHATPA SFAAHQPHRS LENQIASDML ATGADVMLSG DATA SEQUENCE GLRHWIPKST NDKGETYKQL EKLTQGDVYL KSKRKDDRNL LTEAEKDGYQ DATA SEQUENCE LAFNRNMLDD AKGDKLLGLF AYSGMDDGIA YSNKKKSGER TQPSLKEMTQ DATA SEQUENCE KALNILSKDE DGFFLMVEGG QIDWAGHSND AGTMLHELLK FDEAIQTVYE DATA SEQUENCE WAKDREDTIV IVTADHETGS FGFSYSSNDL PKPQKRSGEA FADRDYAPNF DATA SEQUENCE NFGAFDILDG LYNQKQSYYG MISEFQKLDK SLQTPEKLAE IVNKNSEFPI DATA SEQUENCE TAEQAKNVLA SKPNPYRLAQ HKYLSAEEVP AINDFDAFFP YNDRGNLLAR DATA SEQUENCE EQATGQNIVW GTGTHTHTPV NVFAWGPAEK ILPVSKIMHH SELGEYIKQQ DATA SEQUENCE VN 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 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.570 177.584 -0.023 0.000 1.274 1 A CA 0.000 52.020 52.037 -0.029 0.000 0.836 1 A CB 0.000 18.985 19.000 -0.024 0.000 0.831 2 E N 0.716 120.906 120.200 -0.016 0.000 2.465 2 E HA 0.191 4.542 4.350 0.001 0.000 0.260 2 E C -0.515 176.078 176.600 -0.012 0.000 0.980 2 E CA -0.196 56.196 56.400 -0.013 0.000 0.927 2 E CB 0.176 29.871 29.700 -0.008 0.000 0.934 2 E HN 0.353 nan 8.360 nan 0.000 0.459 3 I N 5.735 126.296 120.570 -0.015 0.000 2.452 3 I HA -0.030 4.140 4.170 0.001 0.000 0.287 3 I C 1.171 177.281 176.117 -0.012 0.000 1.079 3 I CA 0.736 62.028 61.300 -0.013 0.000 1.387 3 I CB 0.909 38.897 38.000 -0.020 0.000 1.404 3 I HN 0.718 nan 8.210 nan 0.000 0.522 4 K N 5.578 125.972 120.400 -0.010 0.000 2.287 4 K HA 0.142 4.463 4.320 0.001 0.000 0.199 4 K C 0.107 176.667 176.600 -0.067 0.000 1.061 4 K CA 0.444 56.725 56.287 -0.010 0.000 0.976 4 K CB 0.613 33.124 32.500 0.018 0.000 0.898 4 K HN 0.565 nan 8.250 nan 0.000 0.492 5 N N 0.617 119.243 118.700 -0.123 0.000 2.258 5 N HA 0.268 5.008 4.740 0.001 0.000 0.299 5 N C -1.609 173.771 175.510 -0.218 0.000 1.047 5 N CA -0.480 52.349 53.050 -0.368 0.000 0.814 5 N CB 2.573 40.724 38.487 -0.559 0.000 1.413 5 N HN -0.196 nan 8.380 nan 0.000 0.478 6 V N 2.608 122.385 119.914 -0.229 0.000 2.525 6 V HA 0.518 4.639 4.120 0.001 0.000 0.299 6 V C -0.316 175.698 176.094 -0.133 0.000 1.034 6 V CA -0.599 61.687 62.300 -0.024 0.000 0.863 6 V CB 1.732 33.662 31.823 0.178 0.000 0.999 6 V HN 0.531 nan 8.190 nan 0.000 0.423 7 I N 5.789 126.307 120.570 -0.086 0.000 2.418 7 I HA 0.458 4.629 4.170 0.001 0.000 0.287 7 I C -1.020 175.051 176.117 -0.076 0.000 1.008 7 I CA -0.725 60.478 61.300 -0.161 0.000 1.104 7 I CB 1.947 39.906 38.000 -0.069 0.000 1.264 7 I HN 0.399 nan 8.210 nan 0.000 0.438 8 L N 8.198 129.320 121.223 -0.168 0.000 2.305 8 L HA 0.595 4.935 4.340 0.001 0.000 0.284 8 L C -0.824 176.022 176.870 -0.040 0.000 1.013 8 L CA -0.161 54.670 54.840 -0.015 0.000 0.819 8 L CB 1.153 43.272 42.059 0.100 0.000 1.227 8 L HN 0.512 nan 8.230 nan 0.000 0.417 9 M N 6.790 126.426 119.600 0.059 0.000 2.227 9 M HA 0.490 4.970 4.480 0.001 0.000 0.335 9 M C -0.976 175.479 176.300 0.257 0.000 1.053 9 M CA -0.307 55.084 55.300 0.151 0.000 0.973 9 M CB 1.780 34.456 32.600 0.125 0.000 1.623 9 M HN 0.443 nan 8.290 nan 0.000 0.434 10 I N 2.078 122.755 120.570 0.178 0.000 2.382 10 I HA 0.406 4.576 4.170 0.001 0.000 0.286 10 I C 0.478 176.403 176.117 -0.320 0.000 1.002 10 I CA -0.596 60.720 61.300 0.027 0.000 1.135 10 I CB 1.916 39.915 38.000 -0.001 0.000 1.288 10 I HN 0.824 nan 8.210 nan 0.000 0.448 11 G N 4.629 113.176 108.800 -0.422 0.000 2.393 11 G HA2 0.106 4.067 3.960 0.001 0.000 0.311 11 G HA3 0.106 4.067 3.960 0.001 0.000 0.311 11 G C -0.404 174.231 174.900 -0.442 0.000 1.067 11 G CA -0.304 44.299 45.100 -0.828 0.000 1.000 11 G HN 0.577 nan 8.290 nan 0.000 0.422 12 D N 2.100 122.237 120.400 -0.439 0.000 2.358 12 D HA 0.339 4.980 4.640 0.001 0.000 0.258 12 D C 1.431 177.512 176.300 -0.365 0.000 1.223 12 D CA 1.238 55.032 54.000 -0.343 0.000 0.886 12 D CB 0.901 41.562 40.800 -0.231 0.000 1.120 12 D HN 0.736 nan 8.370 nan 0.000 0.482 13 G N 4.137 112.596 108.800 -0.568 0.000 2.179 13 G HA2 -0.291 3.669 3.960 0.001 0.000 0.260 13 G HA3 -0.291 3.669 3.960 0.001 0.000 0.260 13 G C 0.701 175.452 174.900 -0.247 0.000 0.977 13 G CA 0.321 45.160 45.100 -0.436 0.000 0.641 13 G HN 0.566 nan 8.290 nan 0.000 0.533 14 M N 2.399 121.863 119.600 -0.227 0.000 3.436 14 M HA 0.459 4.940 4.480 0.001 0.000 0.240 14 M C 1.133 177.412 176.300 -0.034 0.000 1.469 14 M CA 0.483 55.726 55.300 -0.096 0.000 1.622 14 M CB -0.683 31.880 32.600 -0.063 0.000 1.098 14 M HN 0.287 nan 8.290 nan 0.000 0.568 15 G N 2.954 111.737 108.800 -0.029 0.000 2.653 15 G HA2 0.229 4.190 3.960 0.001 0.000 0.265 15 G HA3 0.229 4.190 3.960 0.001 0.000 0.265 15 G C -2.198 172.733 174.900 0.051 0.000 1.237 15 G CA -1.093 44.005 45.100 -0.003 0.000 0.946 15 G HN 0.419 nan 8.290 nan 0.000 0.522 16 P HA -0.125 nan 4.420 nan 0.000 0.216 16 P C 1.714 179.078 177.300 0.107 0.000 1.150 16 P CA 1.250 64.393 63.100 0.073 0.000 0.837 16 P CB 0.151 31.869 31.700 0.029 0.000 0.786 17 Q N -0.497 119.365 119.800 0.104 0.000 2.077 17 Q HA -0.238 4.102 4.340 0.001 0.000 0.206 17 Q C 2.309 178.495 176.000 0.310 0.000 0.989 17 Q CA 1.807 57.718 55.803 0.179 0.000 0.853 17 Q CB -0.958 27.889 28.738 0.181 0.000 0.907 17 Q HN 0.290 nan 8.270 nan 0.000 0.418 18 Q N -0.453 119.472 119.800 0.208 0.000 2.079 18 Q HA -0.062 4.278 4.340 0.001 0.000 0.200 18 Q C 2.175 178.257 176.000 0.137 0.000 0.974 18 Q CA 1.176 57.045 55.803 0.111 0.000 0.840 18 Q CB -0.293 28.453 28.738 0.013 0.000 0.898 18 Q HN 0.212 nan 8.270 nan 0.000 0.430 19 V N 0.299 120.302 119.914 0.149 0.000 2.392 19 V HA -0.248 3.872 4.120 0.001 0.000 0.249 19 V C 2.117 178.306 176.094 0.158 0.000 1.059 19 V CA 1.975 64.370 62.300 0.157 0.000 1.051 19 V CB -1.333 30.615 31.823 0.209 0.000 0.658 19 V HN 0.552 nan 8.190 nan 0.000 0.455 20 G N -0.094 108.818 108.800 0.185 0.000 2.422 20 G HA2 -0.253 3.707 3.960 0.001 0.000 0.218 20 G HA3 -0.253 3.707 3.960 0.001 0.000 0.218 20 G C 1.569 176.627 174.900 0.263 0.000 1.146 20 G CA 1.125 46.343 45.100 0.197 0.000 0.769 20 G HN 0.473 nan 8.290 nan 0.000 0.547 21 L N 0.239 121.676 121.223 0.358 0.000 2.017 21 L HA 0.061 4.401 4.340 0.001 0.000 0.208 21 L C 2.508 179.548 176.870 0.283 0.000 1.073 21 L CA 1.743 56.845 54.840 0.438 0.000 0.745 21 L CB -0.697 41.576 42.059 0.356 0.000 0.894 21 L HN 0.184 nan 8.230 nan 0.000 0.432 22 L N -0.221 121.111 121.223 0.182 0.000 1.989 22 L HA -0.182 4.158 4.340 0.001 0.000 0.211 22 L C 2.459 179.380 176.870 0.085 0.000 1.071 22 L CA 1.891 56.813 54.840 0.136 0.000 0.749 22 L CB -0.967 41.143 42.059 0.084 0.000 0.890 22 L HN 0.338 nan 8.230 nan 0.000 0.431 23 E N -0.666 119.560 120.200 0.043 0.000 2.072 23 E HA -0.151 4.200 4.350 0.001 0.000 0.191 23 E C 2.126 178.684 176.600 -0.070 0.000 0.985 23 E CA 1.792 58.165 56.400 -0.044 0.000 0.801 23 E CB -0.674 29.026 29.700 -0.000 0.000 0.750 23 E HN 0.560 nan 8.360 nan 0.000 0.452 24 T N 1.030 115.586 114.554 0.004 0.000 2.746 24 T HA -0.173 4.177 4.350 0.001 0.000 0.267 24 T C 1.750 176.380 174.700 -0.116 0.000 1.039 24 T CA 1.345 63.403 62.100 -0.071 0.000 1.142 24 T CB -0.532 68.325 68.868 -0.019 0.000 0.866 24 T HN 0.233 nan 8.240 nan 0.000 0.444 25 Y N 2.375 122.649 120.300 -0.044 0.000 2.070 25 Y HA -0.139 4.411 4.550 0.001 0.000 0.280 25 Y C 2.583 178.423 175.900 -0.101 0.000 1.148 25 Y CA 1.264 59.347 58.100 -0.028 0.000 1.125 25 Y CB -0.871 37.630 38.460 0.069 0.000 0.975 25 Y HN 0.169 nan 8.280 nan 0.000 0.492 26 A N 0.619 123.324 122.820 -0.191 0.000 1.908 26 A HA -0.240 4.081 4.320 0.001 0.000 0.218 26 A C 1.974 179.312 177.584 -0.411 0.000 1.181 26 A CA 2.143 53.964 52.037 -0.361 0.000 0.627 26 A CB -0.754 17.835 19.000 -0.684 0.000 0.818 26 A HN 0.655 nan 8.150 nan 0.000 0.445 27 N N -0.987 117.483 118.700 -0.384 0.000 2.368 27 N HA -0.026 4.714 4.740 0.001 0.000 0.176 27 N C 1.386 176.646 175.510 -0.418 0.000 1.021 27 N CA 1.047 53.879 53.050 -0.363 0.000 0.888 27 N CB -0.049 38.245 38.487 -0.321 0.000 0.995 27 N HN 0.498 nan 8.380 nan 0.000 0.437 28 Q N -0.284 119.193 119.800 -0.539 0.000 2.245 28 Q HA 0.340 4.680 4.340 0.001 0.000 0.236 28 Q C 0.032 175.663 176.000 -0.616 0.000 0.842 28 Q CA -0.149 55.185 55.803 -0.782 0.000 0.945 28 Q CB 0.496 28.336 28.738 -1.497 0.000 1.122 28 Q HN 0.148 nan 8.270 nan 0.000 0.506 29 A N 3.097 125.607 122.820 -0.516 0.000 2.520 29 A HA 0.212 4.533 4.320 0.001 0.000 0.245 29 A C -1.447 175.994 177.584 -0.237 0.000 1.072 29 A CA -0.744 51.083 52.037 -0.351 0.000 0.761 29 A CB 0.131 18.762 19.000 -0.616 0.000 1.004 29 A HN -0.055 nan 8.150 nan 0.000 0.499 30 P HA -0.099 nan 4.420 nan 0.000 0.218 30 P C 0.477 177.737 177.300 -0.066 0.000 1.148 30 P CA 1.299 64.372 63.100 -0.045 0.000 0.822 30 P CB 0.184 31.902 31.700 0.030 0.000 0.784 31 N N -1.429 117.231 118.700 -0.065 0.000 2.401 31 N HA 0.052 4.792 4.740 0.001 0.000 0.264 31 N C -0.251 175.181 175.510 -0.131 0.000 1.238 31 N CA 0.021 53.033 53.050 -0.063 0.000 0.889 31 N CB 0.143 38.632 38.487 0.004 0.000 1.196 31 N HN -0.024 nan 8.380 nan 0.000 0.511 32 S N 1.307 116.856 115.700 -0.252 0.000 2.642 32 S HA -0.063 4.407 4.470 0.001 0.000 0.308 32 S C 1.754 176.238 174.600 -0.194 0.000 1.255 32 S CA -0.352 57.614 58.200 -0.389 0.000 1.057 32 S CB 0.094 63.025 63.200 -0.447 0.000 0.785 32 S HN 0.394 nan 8.310 nan 0.000 0.500 33 I N 2.975 123.448 120.570 -0.161 0.000 2.916 33 I HA -0.003 4.168 4.170 0.001 0.000 0.267 33 I C 1.124 177.097 176.117 -0.241 0.000 1.263 33 I CA 0.936 62.102 61.300 -0.223 0.000 1.471 33 I CB -0.466 37.326 38.000 -0.346 0.000 1.089 33 I HN 0.660 nan 8.210 nan 0.000 0.468 34 Y N 2.013 122.238 120.300 -0.124 0.000 2.516 34 Y HA 0.071 4.622 4.550 0.001 0.000 0.291 34 Y C 1.068 176.894 175.900 -0.123 0.000 1.131 34 Y CA 0.409 58.440 58.100 -0.115 0.000 1.281 34 Y CB -0.150 38.233 38.460 -0.128 0.000 1.013 34 Y HN 0.156 nan 8.280 nan 0.000 0.554 35 K N -0.014 120.369 120.400 -0.027 0.000 3.077 35 K HA -0.277 4.044 4.320 0.001 0.000 0.264 35 K C 1.049 177.622 176.600 -0.046 0.000 1.008 35 K CA 0.436 56.691 56.287 -0.054 0.000 0.740 35 K CB -1.902 30.563 32.500 -0.058 0.000 1.273 35 K HN 0.672 nan 8.250 nan 0.000 0.477 36 G N -1.040 107.725 108.800 -0.057 0.000 2.217 36 G HA2 -0.290 3.671 3.960 0.001 0.000 0.246 36 G HA3 -0.290 3.671 3.960 0.001 0.000 0.246 36 G C 0.027 174.881 174.900 -0.077 0.000 0.990 36 G CA 0.120 45.172 45.100 -0.079 0.000 0.627 36 G HN 0.359 nan 8.290 nan 0.000 0.522 37 N N 1.268 119.955 118.700 -0.022 0.000 2.503 37 N HA 0.391 5.132 4.740 0.001 0.000 0.267 37 N C 0.428 175.884 175.510 -0.090 0.000 1.214 37 N CA 0.056 53.098 53.050 -0.015 0.000 0.959 37 N CB 0.659 39.189 38.487 0.071 0.000 1.142 37 N HN 0.193 nan 8.380 nan 0.000 0.455 38 K N 0.673 120.972 120.400 -0.167 0.000 2.126 38 K HA 0.169 4.490 4.320 0.001 0.000 0.257 38 K C 0.612 177.062 176.600 -0.249 0.000 1.007 38 K CA -0.312 55.784 56.287 -0.319 0.000 0.928 38 K CB 0.285 32.546 32.500 -0.399 0.000 1.013 38 K HN 0.650 nan 8.250 nan 0.000 0.473 39 T N -1.966 112.356 114.554 -0.388 0.000 2.802 39 T HA 0.180 4.530 4.350 0.001 0.000 0.305 39 T C 1.456 176.075 174.700 -0.135 0.000 1.053 39 T CA -0.018 61.893 62.100 -0.316 0.000 1.058 39 T CB 0.811 69.467 68.868 -0.353 0.000 0.988 39 T HN 0.471 nan 8.240 nan 0.000 0.539 40 A N 1.179 123.935 122.820 -0.107 0.000 1.902 40 A HA 0.007 4.328 4.320 0.001 0.000 0.217 40 A C 2.175 179.587 177.584 -0.285 0.000 1.181 40 A CA 1.232 53.142 52.037 -0.211 0.000 0.623 40 A CB -0.910 17.989 19.000 -0.169 0.000 0.818 40 A HN 0.830 nan 8.150 nan 0.000 0.443 41 I N -1.549 118.855 120.570 -0.277 0.000 2.286 41 I HA -0.212 3.958 4.170 0.001 0.000 0.248 41 I C 2.150 178.051 176.117 -0.360 0.000 1.115 41 I CA 1.361 62.420 61.300 -0.402 0.000 1.392 41 I CB -0.631 37.082 38.000 -0.478 0.000 1.065 41 I HN 0.513 nan 8.210 nan 0.000 0.418 42 Y N 1.059 121.167 120.300 -0.321 0.000 2.128 42 Y HA -0.329 4.221 4.550 0.001 0.000 0.284 42 Y C 2.548 178.326 175.900 -0.203 0.000 1.154 42 Y CA 2.211 60.173 58.100 -0.230 0.000 1.149 42 Y CB -0.325 38.015 38.460 -0.201 0.000 0.976 42 Y HN 0.296 nan 8.280 nan 0.000 0.505 43 Q N 0.017 119.771 119.800 -0.077 0.000 2.084 43 Q HA -0.213 4.128 4.340 0.001 0.000 0.202 43 Q C 2.370 178.217 176.000 -0.255 0.000 0.978 43 Q CA 1.902 57.586 55.803 -0.198 0.000 0.844 43 Q CB -0.326 28.155 28.738 -0.429 0.000 0.898 43 Q HN 0.606 nan 8.270 nan 0.000 0.426 44 L N 0.254 121.298 121.223 -0.298 0.000 2.046 44 L HA -0.180 4.161 4.340 0.001 0.000 0.208 44 L C 2.252 179.157 176.870 0.059 0.000 1.077 44 L CA 1.421 56.209 54.840 -0.086 0.000 0.747 44 L CB -0.327 41.637 42.059 -0.159 0.000 0.896 44 L HN 0.195 nan 8.230 nan 0.000 0.432 45 A N -1.141 121.619 122.820 -0.101 0.000 1.972 45 A HA -0.244 4.077 4.320 0.001 0.000 0.219 45 A C 2.251 179.786 177.584 -0.081 0.000 1.169 45 A CA 1.613 53.644 52.037 -0.011 0.000 0.635 45 A CB -0.605 18.371 19.000 -0.040 0.000 0.810 45 A HN 0.596 nan 8.150 nan 0.000 0.446 46 Q N -0.051 119.615 119.800 -0.224 0.000 2.172 46 Q HA -0.146 4.194 4.340 0.001 0.000 0.200 46 Q C 1.580 177.567 176.000 -0.023 0.000 0.964 46 Q CA 1.736 57.421 55.803 -0.196 0.000 0.855 46 Q CB -0.091 28.479 28.738 -0.280 0.000 0.918 46 Q HN 0.816 nan 8.270 nan 0.000 0.444 47 E N -0.842 119.409 120.200 0.086 0.000 2.230 47 E HA 0.047 4.397 4.350 0.001 0.000 0.192 47 E C 0.913 177.554 176.600 0.067 0.000 0.987 47 E CA 0.506 57.000 56.400 0.156 0.000 0.841 47 E CB 0.283 30.239 29.700 0.427 0.000 0.783 47 E HN 0.302 nan 8.360 nan 0.000 0.481 48 G N 0.745 109.627 108.800 0.136 0.000 2.890 48 G HA2 0.487 4.447 3.960 0.001 0.000 0.189 48 G HA3 0.487 4.447 3.960 0.001 0.000 0.189 48 G C -0.346 174.584 174.900 0.050 0.000 1.342 48 G CA -0.060 45.085 45.100 0.074 0.000 1.026 48 G HN 0.088 nan 8.290 nan 0.000 0.579 49 V N -2.695 117.255 119.914 0.060 0.000 3.141 49 V HA 0.817 4.937 4.120 0.001 0.000 0.312 49 V C -0.821 175.290 176.094 0.028 0.000 1.157 49 V CA -1.204 61.109 62.300 0.022 0.000 1.041 49 V CB 1.797 33.608 31.823 -0.021 0.000 1.071 49 V HN 0.601 nan 8.190 nan 0.000 0.441 50 I N 0.864 121.414 120.570 -0.034 0.000 2.545 50 I HA 0.799 4.969 4.170 0.001 0.000 0.292 50 I C 0.516 176.546 176.117 -0.144 0.000 1.040 50 I CA -0.353 60.870 61.300 -0.128 0.000 1.068 50 I CB 2.066 39.983 38.000 -0.137 0.000 1.251 50 I HN 1.020 nan 8.210 nan 0.000 0.424 51 G N 2.338 111.022 108.800 -0.194 0.000 3.013 51 G HA2 0.623 4.583 3.960 0.001 0.000 0.278 51 G HA3 0.623 4.583 3.960 0.001 0.000 0.278 51 G C -1.521 173.281 174.900 -0.163 0.000 1.353 51 G CA -0.491 44.519 45.100 -0.151 0.000 1.043 51 G HN 0.447 nan 8.290 nan 0.000 0.523 52 S N -1.061 114.576 115.700 -0.106 0.000 2.594 52 S HA 0.647 5.117 4.470 0.001 0.000 0.296 52 S C -0.968 173.599 174.600 -0.054 0.000 1.124 52 S CA -0.462 57.685 58.200 -0.089 0.000 1.011 52 S CB 1.516 64.678 63.200 -0.064 0.000 1.016 52 S HN 0.781 nan 8.310 nan 0.000 0.485 53 S N 5.060 120.726 115.700 -0.057 0.000 2.605 53 S HA 0.566 5.036 4.470 0.001 0.000 0.308 53 S C -0.506 173.998 174.600 -0.160 0.000 1.113 53 S CA -0.697 57.472 58.200 -0.051 0.000 1.049 53 S CB 0.328 63.575 63.200 0.079 0.000 1.001 53 S HN 0.754 nan 8.310 nan 0.000 0.480 54 L N 3.745 124.903 121.223 -0.108 0.000 2.483 54 L HA 0.242 4.582 4.340 0.001 0.000 0.276 54 L C 1.607 178.197 176.870 -0.467 0.000 1.213 54 L CA 0.050 54.828 54.840 -0.103 0.000 0.843 54 L CB 0.660 42.816 42.059 0.162 0.000 1.107 54 L HN 0.895 nan 8.230 nan 0.000 0.487 55 T N -3.559 110.783 114.554 -0.354 0.000 3.043 55 T HA 0.118 4.468 4.350 0.001 0.000 0.272 55 T C 0.288 174.914 174.700 -0.123 0.000 0.990 55 T CA -0.464 61.340 62.100 -0.495 0.000 0.897 55 T CB -0.389 68.256 68.868 -0.372 0.000 1.111 55 T HN 0.682 nan 8.240 nan 0.000 0.529 56 H N 1.792 120.975 119.070 0.189 0.000 2.771 56 H HA 0.520 5.076 4.556 0.001 0.000 0.364 56 H C -2.620 172.930 175.328 0.369 0.000 1.133 56 H CA -1.860 54.348 56.048 0.266 0.000 1.423 56 H CB -0.236 29.669 29.762 0.239 0.000 1.425 56 H HN 0.037 nan 8.280 nan 0.000 0.606 57 P HA -0.011 nan 4.420 nan 0.000 0.277 57 P C 0.438 177.995 177.300 0.428 0.000 1.276 57 P CA -0.322 62.988 63.100 0.351 0.000 0.788 57 P CB 0.874 32.712 31.700 0.229 0.000 1.114 58 E N -0.113 120.271 120.200 0.307 0.000 2.110 58 E HA -0.200 4.151 4.350 0.001 0.000 0.193 58 E C 0.467 177.124 176.600 0.096 0.000 0.988 58 E CA 1.460 57.977 56.400 0.195 0.000 0.804 58 E CB -0.078 29.701 29.700 0.132 0.000 0.745 58 E HN 0.462 nan 8.360 nan 0.000 0.458 59 D N -1.221 119.240 120.400 0.101 0.000 2.673 59 D HA 0.294 4.935 4.640 0.001 0.000 0.278 59 D C -0.505 175.820 176.300 0.042 0.000 1.393 59 D CA -0.155 53.870 54.000 0.042 0.000 0.805 59 D CB 0.508 41.325 40.800 0.027 0.000 1.110 59 D HN 0.125 nan 8.370 nan 0.000 0.476 60 A N -0.391 122.472 122.820 0.073 0.000 2.602 60 A HA 0.591 4.911 4.320 0.001 0.000 0.290 60 A C 0.241 177.862 177.584 0.062 0.000 1.114 60 A CA -0.741 51.329 52.037 0.054 0.000 0.683 60 A CB 0.490 19.534 19.000 0.074 0.000 1.281 60 A HN 0.006 nan 8.150 nan 0.000 0.416 61 I N -0.160 120.433 120.570 0.040 0.000 2.703 61 I HA 0.044 4.215 4.170 0.001 0.000 0.259 61 I C -0.161 176.054 176.117 0.163 0.000 1.151 61 I CA 0.926 62.250 61.300 0.040 0.000 1.470 61 I CB 0.281 38.273 38.000 -0.015 0.000 1.112 61 I HN 0.279 nan 8.210 nan 0.000 0.437 62 V N 1.415 121.420 119.914 0.152 0.000 2.540 62 V HA 0.369 4.490 4.120 0.001 0.000 0.302 62 V C -0.237 175.951 176.094 0.156 0.000 1.035 62 V CA -0.695 61.706 62.300 0.168 0.000 0.873 62 V CB 2.634 34.539 31.823 0.136 0.000 0.992 62 V HN -0.144 nan 8.190 nan 0.000 0.428 63 V N 4.403 124.415 119.914 0.163 0.000 2.834 63 V HA 0.561 4.681 4.120 0.001 0.000 0.313 63 V C -0.444 175.736 176.094 0.143 0.000 1.060 63 V CA -0.363 62.027 62.300 0.150 0.000 0.989 63 V CB 2.022 33.937 31.823 0.153 0.000 1.041 63 V HN 1.095 nan 8.190 nan 0.000 0.459 64 D N 2.439 122.923 120.400 0.139 0.000 2.384 64 D HA 0.182 4.822 4.640 0.001 0.000 0.250 64 D C 0.701 177.132 176.300 0.219 0.000 1.029 64 D CA -0.258 53.846 54.000 0.174 0.000 0.990 64 D CB 1.966 42.828 40.800 0.103 0.000 1.175 64 D HN 0.373 nan 8.370 nan 0.000 0.532 65 S N -0.324 115.557 115.700 0.302 0.000 2.423 65 S HA -0.075 4.395 4.470 0.001 0.000 0.231 65 S C 1.894 176.602 174.600 0.180 0.000 1.014 65 S CA 1.250 59.629 58.200 0.299 0.000 0.965 65 S CB -0.556 62.855 63.200 0.351 0.000 0.785 65 S HN 0.568 nan 8.310 nan 0.000 0.495 66 A N 0.235 123.121 122.820 0.111 0.000 1.855 66 A HA -0.106 4.214 4.320 0.001 0.000 0.215 66 A C 2.571 180.179 177.584 0.039 0.000 1.191 66 A CA 1.500 53.560 52.037 0.038 0.000 0.613 66 A CB -1.606 17.370 19.000 -0.040 0.000 0.829 66 A HN 0.710 nan 8.150 nan 0.000 0.442 67 C N -0.919 118.420 119.300 0.064 0.000 2.413 67 C HA -0.078 4.382 4.460 0.001 0.000 0.276 67 C C 3.129 178.171 174.990 0.086 0.000 1.236 67 C CA 1.829 60.892 59.018 0.076 0.000 1.735 67 C CB -1.085 26.719 27.740 0.106 0.000 2.031 67 C HN 0.599 nan 8.230 nan 0.000 0.474 68 S N 0.113 115.890 115.700 0.128 0.000 2.356 68 S HA -0.083 4.388 4.470 0.001 0.000 0.223 68 S C 2.166 176.836 174.600 0.116 0.000 1.032 68 S CA 1.859 60.156 58.200 0.161 0.000 1.005 68 S CB -0.548 62.796 63.200 0.240 0.000 0.867 68 S HN 0.823 nan 8.310 nan 0.000 0.449 69 A N 0.352 123.231 122.820 0.098 0.000 1.933 69 A HA -0.061 4.259 4.320 0.001 0.000 0.218 69 A C 2.352 179.835 177.584 -0.169 0.000 1.175 69 A CA 2.244 54.302 52.037 0.036 0.000 0.628 69 A CB -1.518 17.559 19.000 0.129 0.000 0.814 69 A HN 0.585 nan 8.150 nan 0.000 0.444 70 T N 0.163 114.646 114.554 -0.118 0.000 2.746 70 T HA -0.161 4.190 4.350 0.001 0.000 0.267 70 T C 1.944 176.562 174.700 -0.137 0.000 1.039 70 T CA 1.837 63.840 62.100 -0.161 0.000 1.142 70 T CB -0.322 68.502 68.868 -0.073 0.000 0.866 70 T HN 0.478 nan 8.240 nan 0.000 0.444 71 M N 0.399 119.963 119.600 -0.060 0.000 2.132 71 M HA 0.018 4.499 4.480 0.001 0.000 0.263 71 M C 2.230 178.474 176.300 -0.094 0.000 1.065 71 M CA 1.465 56.736 55.300 -0.050 0.000 1.122 71 M CB -0.614 31.986 32.600 0.001 0.000 1.365 71 M HN 0.191 nan 8.290 nan 0.000 0.411 72 L N -0.169 120.986 121.223 -0.113 0.000 2.131 72 L HA -0.146 4.195 4.340 0.001 0.000 0.210 72 L C 2.681 179.476 176.870 -0.125 0.000 1.092 72 L CA 0.993 55.762 54.840 -0.118 0.000 0.759 72 L CB -0.718 41.299 42.059 -0.069 0.000 0.903 72 L HN 0.297 nan 8.230 nan 0.000 0.435 73 A N -0.765 121.844 122.820 -0.351 0.000 2.072 73 A HA -0.071 4.249 4.320 0.001 0.000 0.216 73 A C 2.178 179.609 177.584 -0.256 0.000 1.156 73 A CA 1.535 53.252 52.037 -0.533 0.000 0.701 73 A CB -0.364 17.940 19.000 -1.160 0.000 0.816 73 A HN 0.480 nan 8.150 nan 0.000 0.458 74 T N -6.403 108.050 114.554 -0.169 0.000 2.954 74 T HA 0.419 4.769 4.350 0.001 0.000 0.252 74 T C 1.364 176.034 174.700 -0.050 0.000 0.983 74 T CA 1.129 63.175 62.100 -0.091 0.000 0.941 74 T CB 0.215 69.046 68.868 -0.061 0.000 1.141 74 T HN 1.625 nan 8.240 nan 0.000 0.500 75 G N 2.369 111.139 108.800 -0.050 0.000 2.147 75 G HA2 -0.178 3.783 3.960 0.001 0.000 0.244 75 G HA3 -0.178 3.783 3.960 0.001 0.000 0.244 75 G C 0.000 174.892 174.900 -0.014 0.000 1.005 75 G CA 0.407 45.492 45.100 -0.025 0.000 0.713 75 G HN 1.176 nan 8.290 nan 0.000 0.515 76 I N -4.023 116.538 120.570 -0.014 0.000 3.042 76 I HA 0.812 4.983 4.170 0.001 0.000 0.310 76 I C 0.186 176.308 176.117 0.008 0.000 1.117 76 I CA -2.261 59.057 61.300 0.029 0.000 1.003 76 I CB 1.209 39.252 38.000 0.072 0.000 1.228 76 I HN -0.091 nan 8.210 nan 0.000 0.443 77 Y N 1.810 122.147 120.300 0.062 0.000 2.397 77 Y HA 0.476 5.026 4.550 0.001 0.000 0.335 77 Y C 0.975 176.916 175.900 0.067 0.000 1.213 77 Y CA 0.766 58.909 58.100 0.071 0.000 1.391 77 Y CB 0.994 39.462 38.460 0.014 0.000 1.293 77 Y HN 0.718 nan 8.280 nan 0.000 0.557 78 S N 0.021 115.859 115.700 0.230 0.000 2.819 78 S HA 0.657 5.128 4.470 0.001 0.000 0.299 78 S C -0.903 173.791 174.600 0.156 0.000 1.192 78 S CA -0.738 57.557 58.200 0.158 0.000 0.847 78 S CB 0.996 64.257 63.200 0.102 0.000 1.224 78 S HN 0.519 nan 8.310 nan 0.000 0.537 79 S N 0.846 116.617 115.700 0.118 0.000 2.745 79 S HA 0.581 5.052 4.470 0.001 0.000 0.292 79 S C -0.613 174.050 174.600 0.105 0.000 1.133 79 S CA -0.589 57.678 58.200 0.111 0.000 0.998 79 S CB 1.401 64.656 63.200 0.092 0.000 1.087 79 S HN 0.660 nan 8.310 nan 0.000 0.551 80 S N 1.720 117.482 115.700 0.104 0.000 2.533 80 S HA 0.149 4.619 4.470 0.001 0.000 0.282 80 S C 0.518 175.175 174.600 0.094 0.000 1.304 80 S CA -0.063 58.197 58.200 0.101 0.000 1.063 80 S CB -0.075 63.185 63.200 0.100 0.000 0.881 80 S HN 0.760 nan 8.310 nan 0.000 0.493 81 E N -1.977 118.258 120.200 0.060 0.000 3.628 81 E HA -0.192 4.159 4.350 0.001 0.000 0.309 81 E C 0.113 176.670 176.600 -0.072 0.000 0.839 81 E CA 0.616 57.001 56.400 -0.024 0.000 1.123 81 E CB -2.023 27.684 29.700 0.013 0.000 1.568 81 E HN 0.611 nan 8.360 nan 0.000 0.440 82 V N -1.478 118.438 119.914 0.003 0.000 3.036 82 V HA 0.521 4.641 4.120 0.001 0.000 0.308 82 V C 0.503 176.575 176.094 -0.037 0.000 1.070 82 V CA -0.666 61.635 62.300 0.002 0.000 1.056 82 V CB 1.397 33.244 31.823 0.041 0.000 1.084 82 V HN 0.095 nan 8.190 nan 0.000 0.471 83 I N 3.016 123.556 120.570 -0.049 0.000 2.448 83 I HA 0.526 4.696 4.170 0.001 0.000 0.281 83 I C 0.997 177.047 176.117 -0.112 0.000 1.027 83 I CA 0.554 61.799 61.300 -0.092 0.000 1.111 83 I CB 0.274 38.206 38.000 -0.113 0.000 1.236 83 I HN 1.166 nan 8.210 nan 0.000 0.452 84 G N 6.514 115.243 108.800 -0.118 0.000 2.198 84 G HA2 -0.239 3.721 3.960 0.001 0.000 0.260 84 G HA3 -0.239 3.721 3.960 0.001 0.000 0.260 84 G C -0.018 174.939 174.900 0.095 0.000 1.025 84 G CA 0.803 45.845 45.100 -0.096 0.000 0.769 84 G HN 0.737 nan 8.290 nan 0.000 0.507 85 I N -3.397 117.206 120.570 0.054 0.000 3.074 85 I HA 0.806 4.976 4.170 0.001 0.000 0.310 85 I C 0.021 176.185 176.117 0.077 0.000 1.153 85 I CA -1.411 59.946 61.300 0.095 0.000 0.993 85 I CB 1.855 39.919 38.000 0.107 0.000 1.237 85 I HN 0.039 nan 8.210 nan 0.000 0.443 86 D N 1.976 122.427 120.400 0.085 0.000 2.433 86 D HA 0.230 4.870 4.640 0.001 0.000 0.255 86 D C 0.726 177.073 176.300 0.079 0.000 1.226 86 D CA -0.503 53.544 54.000 0.078 0.000 1.015 86 D CB 0.900 41.743 40.800 0.071 0.000 1.091 86 D HN 0.520 nan 8.370 nan 0.000 0.527 87 S N -1.082 114.665 115.700 0.078 0.000 2.423 87 S HA -0.156 4.315 4.470 0.001 0.000 0.231 87 S C 1.677 176.314 174.600 0.061 0.000 1.014 87 S CA 0.963 59.207 58.200 0.073 0.000 0.965 87 S CB -0.307 62.935 63.200 0.071 0.000 0.785 87 S HN 0.488 nan 8.310 nan 0.000 0.495 88 Q N -0.293 119.540 119.800 0.055 0.000 2.378 88 Q HA 0.156 4.496 4.340 0.001 0.000 0.205 88 Q C 1.477 177.508 176.000 0.052 0.000 0.954 88 Q CA 0.602 56.432 55.803 0.045 0.000 0.901 88 Q CB 0.104 28.863 28.738 0.035 0.000 0.981 88 Q HN 0.627 nan 8.270 nan 0.000 0.483 89 G N 0.730 109.573 108.800 0.071 0.000 2.163 89 G HA2 -0.175 3.786 3.960 0.001 0.000 0.213 89 G HA3 -0.175 3.786 3.960 0.001 0.000 0.213 89 G C -0.296 174.678 174.900 0.123 0.000 0.991 89 G CA -0.416 44.740 45.100 0.094 0.000 0.653 89 G HN 0.197 nan 8.290 nan 0.000 0.518 90 N N 1.131 119.888 118.700 0.094 0.000 2.520 90 N HA 0.207 4.948 4.740 0.001 0.000 0.273 90 N C 0.186 175.804 175.510 0.181 0.000 1.155 90 N CA -0.001 53.100 53.050 0.087 0.000 0.967 90 N CB 0.257 38.768 38.487 0.040 0.000 1.092 90 N HN 0.490 nan 8.380 nan 0.000 0.457 91 H N 0.122 119.170 119.070 -0.037 0.000 2.848 91 H HA 0.173 4.730 4.556 0.001 0.000 0.341 91 H C -0.212 175.064 175.328 -0.088 0.000 1.060 91 H CA -0.263 55.726 56.048 -0.098 0.000 1.444 91 H CB 0.911 30.500 29.762 -0.289 0.000 1.446 91 H HN 0.101 nan 8.280 nan 0.000 0.583 92 V N 3.054 123.011 119.914 0.073 0.000 2.735 92 V HA 0.048 4.168 4.120 0.001 0.000 0.310 92 V C 0.082 176.219 176.094 0.072 0.000 1.061 92 V CA -0.912 61.419 62.300 0.052 0.000 0.913 92 V CB 1.960 33.817 31.823 0.056 0.000 1.005 92 V HN 0.767 nan 8.190 nan 0.000 0.428 93 E N 2.395 122.615 120.200 0.034 0.000 2.376 93 E HA 0.243 4.594 4.350 0.001 0.000 0.266 93 E C 0.167 176.789 176.600 0.037 0.000 1.009 93 E CA -0.199 56.230 56.400 0.050 0.000 0.902 93 E CB 0.870 30.579 29.700 0.014 0.000 0.972 93 E HN 0.891 nan 8.360 nan 0.000 0.439 94 T N 0.504 115.087 114.554 0.048 0.000 2.881 94 T HA 0.092 4.443 4.350 0.001 0.000 0.278 94 T C 1.046 175.694 174.700 -0.086 0.000 0.982 94 T CA -0.511 61.559 62.100 -0.050 0.000 0.989 94 T CB 1.537 70.362 68.868 -0.073 0.000 1.058 94 T HN 0.350 nan 8.240 nan 0.000 0.529 95 V N 1.836 121.652 119.914 -0.164 0.000 2.490 95 V HA -0.031 4.089 4.120 0.001 0.000 0.250 95 V C 2.223 178.061 176.094 -0.426 0.000 1.061 95 V CA 1.962 64.086 62.300 -0.294 0.000 1.064 95 V CB -0.924 30.671 31.823 -0.380 0.000 0.670 95 V HN 0.853 nan 8.190 nan 0.000 0.461 96 L N -0.156 120.877 121.223 -0.316 0.000 2.056 96 L HA -0.163 4.177 4.340 0.001 0.000 0.207 96 L C 2.532 179.401 176.870 -0.001 0.000 1.078 96 L CA 2.212 56.974 54.840 -0.130 0.000 0.749 96 L CB -0.379 41.793 42.059 0.189 0.000 0.901 96 L HN 0.394 nan 8.230 nan 0.000 0.433 97 E N -0.223 119.991 120.200 0.022 0.000 2.110 97 E HA -0.295 4.056 4.350 0.001 0.000 0.193 97 E C 2.082 178.692 176.600 0.017 0.000 0.988 97 E CA 1.372 57.801 56.400 0.049 0.000 0.804 97 E CB -0.094 29.654 29.700 0.080 0.000 0.745 97 E HN 0.416 nan 8.360 nan 0.000 0.458 98 K N 0.868 121.253 120.400 -0.025 0.000 2.026 98 K HA -0.169 4.151 4.320 0.001 0.000 0.208 98 K C 2.178 178.767 176.600 -0.018 0.000 1.048 98 K CA 1.254 57.523 56.287 -0.030 0.000 0.929 98 K CB -0.127 32.336 32.500 -0.062 0.000 0.713 98 K HN 0.091 nan 8.250 nan 0.000 0.439 99 A N 1.644 124.445 122.820 -0.032 0.000 1.877 99 A HA -0.221 4.099 4.320 0.001 0.000 0.216 99 A C 2.071 179.691 177.584 0.060 0.000 1.186 99 A CA 1.932 53.984 52.037 0.025 0.000 0.620 99 A CB -0.545 18.500 19.000 0.074 0.000 0.822 99 A HN 0.423 nan 8.150 nan 0.000 0.443 100 K N -0.109 120.331 120.400 0.067 0.000 2.063 100 K HA -0.179 4.141 4.320 0.001 0.000 0.208 100 K C 1.978 178.609 176.600 0.052 0.000 1.048 100 K CA 1.821 58.152 56.287 0.072 0.000 0.928 100 K CB -0.184 32.365 32.500 0.082 0.000 0.713 100 K HN 0.435 nan 8.250 nan 0.000 0.442 101 K N -0.276 120.148 120.400 0.040 0.000 2.209 101 K HA -0.066 4.254 4.320 0.001 0.000 0.204 101 K C 1.695 178.311 176.600 0.026 0.000 1.048 101 K CA 1.056 57.361 56.287 0.030 0.000 0.940 101 K CB 0.013 32.527 32.500 0.023 0.000 0.729 101 K HN 0.195 nan 8.250 nan 0.000 0.451 102 A N 0.227 123.063 122.820 0.027 0.000 2.259 102 A HA 0.195 4.516 4.320 0.001 0.000 0.208 102 A C 1.303 178.907 177.584 0.034 0.000 1.201 102 A CA 0.776 52.828 52.037 0.025 0.000 0.824 102 A CB -0.359 18.653 19.000 0.019 0.000 0.838 102 A HN 0.408 nan 8.150 nan 0.000 0.485 103 G N -0.710 108.115 108.800 0.041 0.000 2.157 103 G HA2 -0.235 3.725 3.960 0.001 0.000 0.239 103 G HA3 -0.235 3.725 3.960 0.001 0.000 0.239 103 G C 0.213 175.149 174.900 0.060 0.000 0.982 103 G CA 0.387 45.514 45.100 0.044 0.000 0.650 103 G HN 0.564 nan 8.290 nan 0.000 0.527 104 K N 0.504 120.951 120.400 0.077 0.000 2.126 104 K HA 0.678 4.999 4.320 0.001 0.000 0.257 104 K C 0.820 177.495 176.600 0.125 0.000 1.007 104 K CA 0.030 56.385 56.287 0.112 0.000 0.928 104 K CB 1.202 33.783 32.500 0.134 0.000 1.013 104 K HN 0.464 nan 8.250 nan 0.000 0.473 105 A N 1.154 124.066 122.820 0.153 0.000 2.332 105 A HA 0.368 4.688 4.320 0.001 0.000 0.258 105 A C -0.023 177.675 177.584 0.190 0.000 1.087 105 A CA -0.195 51.919 52.037 0.129 0.000 0.802 105 A CB 0.256 19.305 19.000 0.082 0.000 1.042 105 A HN 0.744 nan 8.150 nan 0.000 0.489 106 T N -1.419 113.220 114.554 0.143 0.000 2.912 106 T HA 0.750 5.100 4.350 0.001 0.000 0.299 106 T C -0.315 174.447 174.700 0.104 0.000 1.052 106 T CA -0.032 62.185 62.100 0.195 0.000 0.996 106 T CB 1.760 70.763 68.868 0.226 0.000 1.070 106 T HN 1.665 nan 8.240 nan 0.000 0.465 107 G N 1.191 110.033 108.800 0.071 0.000 2.696 107 G HA2 0.677 4.638 3.960 0.001 0.000 0.295 107 G HA3 0.677 4.638 3.960 0.001 0.000 0.295 107 G C -1.837 173.026 174.900 -0.062 0.000 1.398 107 G CA -1.031 44.053 45.100 -0.026 0.000 0.920 107 G HN 0.880 nan 8.290 nan 0.000 0.492 108 L N 0.843 122.029 121.223 -0.061 0.000 2.436 108 L HA 0.689 5.029 4.340 0.001 0.000 0.268 108 L C -0.788 176.028 176.870 -0.090 0.000 0.974 108 L CA -1.062 53.725 54.840 -0.088 0.000 0.826 108 L CB 2.478 44.525 42.059 -0.020 0.000 1.291 108 L HN 0.295 nan 8.230 nan 0.000 0.406 109 V N 1.512 121.359 119.914 -0.112 0.000 2.686 109 V HA 0.730 4.850 4.120 0.001 0.000 0.306 109 V C -0.587 175.452 176.094 -0.091 0.000 1.065 109 V CA -0.407 61.837 62.300 -0.094 0.000 0.894 109 V CB 2.118 33.873 31.823 -0.114 0.000 1.004 109 V HN 0.786 nan 8.190 nan 0.000 0.424 110 S N 1.646 117.299 115.700 -0.078 0.000 2.537 110 S HA 0.389 4.860 4.470 0.001 0.000 0.271 110 S C -0.383 174.144 174.600 -0.122 0.000 1.148 110 S CA -0.352 57.784 58.200 -0.107 0.000 0.868 110 S CB 1.942 65.091 63.200 -0.085 0.000 1.115 110 S HN 0.955 nan 8.310 nan 0.000 0.461 111 D N 2.192 122.475 120.400 -0.195 0.000 2.325 111 D HA 0.085 4.726 4.640 0.001 0.000 0.225 111 D C 1.264 177.394 176.300 -0.283 0.000 1.096 111 D CA 0.529 54.398 54.000 -0.217 0.000 0.844 111 D CB -0.195 40.450 40.800 -0.257 0.000 0.925 111 D HN 0.544 nan 8.370 nan 0.000 0.513 112 T N -1.983 112.391 114.554 -0.300 0.000 2.813 112 T HA 0.346 4.696 4.350 0.001 0.000 0.188 112 T C 0.693 175.383 174.700 -0.015 0.000 0.698 112 T CA -0.510 61.400 62.100 -0.317 0.000 2.089 112 T CB 0.463 68.993 68.868 -0.564 0.000 2.834 112 T HN -0.093 nan 8.240 nan 0.000 0.370 113 R N 0.171 120.736 120.500 0.108 0.000 2.778 113 R HA 0.558 4.899 4.340 0.001 0.000 0.277 113 R C 0.700 177.114 176.300 0.190 0.000 0.977 113 R CA -0.821 55.399 56.100 0.200 0.000 0.950 113 R CB 1.632 32.127 30.300 0.324 0.000 1.165 113 R HN 0.287 nan 8.270 nan 0.000 0.474 114 L N 1.745 123.070 121.223 0.170 0.000 2.127 114 L HA -0.134 4.206 4.340 0.001 0.000 0.211 114 L C 1.750 178.763 176.870 0.239 0.000 1.089 114 L CA 2.222 57.158 54.840 0.160 0.000 0.757 114 L CB -0.381 41.726 42.059 0.081 0.000 0.899 114 L HN 0.874 nan 8.230 nan 0.000 0.434 115 T N -4.119 110.602 114.554 0.278 0.000 3.107 115 T HA 0.035 4.385 4.350 0.001 0.000 0.249 115 T C 1.033 175.792 174.700 0.099 0.000 1.096 115 T CA -0.375 61.817 62.100 0.153 0.000 1.012 115 T CB -0.717 68.168 68.868 0.027 0.000 0.977 115 T HN 0.313 nan 8.240 nan 0.000 0.527 116 H N 0.687 119.815 119.070 0.096 0.000 2.745 116 H HA 0.406 4.962 4.556 0.001 0.000 0.373 116 H C 1.721 177.099 175.328 0.084 0.000 1.226 116 H CA 0.543 56.652 56.048 0.102 0.000 1.435 116 H CB 1.186 31.040 29.762 0.153 0.000 1.461 116 H HN 0.250 nan 8.280 nan 0.000 0.616 117 A N 2.611 125.455 122.820 0.040 0.000 1.940 117 A HA -0.182 4.138 4.320 0.001 0.000 0.219 117 A C 2.396 180.071 177.584 0.152 0.000 1.176 117 A CA 2.140 54.209 52.037 0.054 0.000 0.631 117 A CB -0.791 18.229 19.000 0.034 0.000 0.814 117 A HN 0.799 nan 8.150 nan 0.000 0.446 118 T N 0.490 115.187 114.554 0.237 0.000 2.668 118 T HA -0.068 4.283 4.350 0.001 0.000 0.262 118 T C -0.171 174.718 174.700 0.314 0.000 1.045 118 T CA 1.594 63.841 62.100 0.245 0.000 1.152 118 T CB -1.192 67.784 68.868 0.180 0.000 0.864 118 T HN 0.486 nan 8.240 nan 0.000 0.419 119 P HA 0.064 nan 4.420 nan 0.000 0.219 119 P C 1.460 178.923 177.300 0.272 0.000 1.150 119 P CA 1.205 64.442 63.100 0.228 0.000 0.814 119 P CB -0.212 31.559 31.700 0.119 0.000 0.787 120 A N 0.513 123.439 122.820 0.177 0.000 1.940 120 A HA -0.159 4.161 4.320 0.001 0.000 0.219 120 A C 2.412 180.015 177.584 0.032 0.000 1.176 120 A CA 2.100 54.188 52.037 0.086 0.000 0.631 120 A CB -1.639 17.373 19.000 0.020 0.000 0.814 120 A HN 0.192 nan 8.150 nan 0.000 0.446 121 S N -1.165 114.562 115.700 0.044 0.000 2.507 121 S HA -0.015 4.456 4.470 0.001 0.000 0.235 121 S C 1.080 175.512 174.600 -0.281 0.000 0.988 121 S CA 0.876 58.995 58.200 -0.135 0.000 0.944 121 S CB -0.465 62.637 63.200 -0.163 0.000 0.762 121 S HN 0.593 nan 8.310 nan 0.000 0.526 122 F N 0.386 120.319 119.950 -0.029 0.000 2.776 122 F HA 0.367 4.895 4.527 0.001 0.000 0.300 122 F C 1.597 177.372 175.800 -0.041 0.000 1.116 122 F CA 0.291 58.287 58.000 -0.007 0.000 1.375 122 F CB 0.292 39.349 39.000 0.096 0.000 1.109 122 F HN 0.188 nan 8.300 nan 0.000 0.585 123 A N -0.707 122.132 122.820 0.032 0.000 2.631 123 A HA 0.765 5.086 4.320 0.001 0.000 0.258 123 A C 0.152 177.653 177.584 -0.138 0.000 1.027 123 A CA 0.327 52.366 52.037 0.003 0.000 1.015 123 A CB -0.449 18.621 19.000 0.116 0.000 1.206 123 A HN 0.060 nan 8.150 nan 0.000 0.556 124 A N 0.028 122.627 122.820 -0.369 0.000 2.569 124 A HA 0.791 5.111 4.320 0.001 0.000 0.290 124 A C -1.420 175.684 177.584 -0.799 0.000 1.136 124 A CA -0.492 51.301 52.037 -0.406 0.000 0.710 124 A CB 0.958 19.847 19.000 -0.185 0.000 1.303 124 A HN 0.365 nan 8.150 nan 0.000 0.413 125 H N 1.361 120.302 119.070 -0.215 0.000 3.177 125 H HA 0.432 4.989 4.556 0.001 0.000 0.314 125 H C -1.254 173.888 175.328 -0.309 0.000 1.059 125 H CA -0.359 55.448 56.048 -0.402 0.000 1.515 125 H CB 1.317 30.527 29.762 -0.921 0.000 1.672 125 H HN 0.620 nan 8.280 nan 0.000 0.514 126 Q N 2.167 121.910 119.800 -0.095 0.000 2.416 126 Q HA 0.234 4.574 4.340 0.001 0.000 0.281 126 Q C -2.090 173.922 176.000 0.020 0.000 1.067 126 Q CA -1.776 54.015 55.803 -0.021 0.000 0.809 126 Q CB 3.395 32.110 28.738 -0.039 0.000 1.418 126 Q HN 0.278 nan 8.270 nan 0.000 0.411 127 P HA -0.092 nan 4.420 nan 0.000 0.221 127 P C -0.021 177.361 177.300 0.136 0.000 1.150 127 P CA 1.314 64.469 63.100 0.092 0.000 0.800 127 P CB 0.878 32.633 31.700 0.090 0.000 0.787 128 H N -0.716 118.349 119.070 -0.009 0.000 3.038 128 H HA 0.199 4.755 4.556 0.001 0.000 0.362 128 H C 1.068 176.376 175.328 -0.033 0.000 1.167 128 H CA -0.553 55.487 56.048 -0.014 0.000 1.197 128 H CB 2.075 31.828 29.762 -0.015 0.000 1.840 128 H HN -0.202 nan 8.280 nan 0.000 0.540 129 R N 1.051 121.194 120.500 -0.596 0.000 2.193 129 R HA -0.096 4.244 4.340 0.001 0.000 0.229 129 R C 1.192 177.355 176.300 -0.229 0.000 1.110 129 R CA 1.740 57.620 56.100 -0.366 0.000 0.988 129 R CB -0.199 29.871 30.300 -0.382 0.000 0.871 129 R HN 0.356 nan 8.270 nan 0.000 0.458 130 S N 1.120 116.768 115.700 -0.087 0.000 2.515 130 S HA 0.039 4.509 4.470 0.001 0.000 0.231 130 S C 1.254 175.845 174.600 -0.015 0.000 0.987 130 S CA 0.178 58.403 58.200 0.043 0.000 0.936 130 S CB -0.170 63.166 63.200 0.227 0.000 0.766 130 S HN 0.311 nan 8.310 nan 0.000 0.528 131 L N 1.971 123.179 121.223 -0.025 0.000 2.727 131 L HA 0.296 4.637 4.340 0.001 0.000 0.237 131 L C 1.340 178.125 176.870 -0.142 0.000 1.370 131 L CA -0.128 54.679 54.840 -0.056 0.000 1.248 131 L CB -0.424 41.622 42.059 -0.021 0.000 1.556 131 L HN 0.309 nan 8.230 nan 0.000 0.420 132 E N 0.146 120.204 120.200 -0.237 0.000 2.150 132 E HA -0.152 4.198 4.350 0.001 0.000 0.193 132 E C 1.357 177.699 176.600 -0.430 0.000 0.985 132 E CA 0.674 56.806 56.400 -0.446 0.000 0.814 132 E CB 0.208 29.385 29.700 -0.871 0.000 0.752 132 E HN 0.615 nan 8.360 nan 0.000 0.466 133 N N 1.118 119.670 118.700 -0.246 0.000 2.120 133 N HA -0.160 4.581 4.740 0.001 0.000 0.188 133 N C 1.751 177.148 175.510 -0.189 0.000 1.024 133 N CA 1.067 54.030 53.050 -0.145 0.000 0.852 133 N CB -0.148 38.321 38.487 -0.029 0.000 1.003 133 N HN 0.300 nan 8.380 nan 0.000 0.424 134 Q N 0.372 120.086 119.800 -0.144 0.000 2.123 134 Q HA 0.064 4.405 4.340 0.001 0.000 0.199 134 Q C 2.160 178.073 176.000 -0.145 0.000 0.966 134 Q CA 0.655 56.387 55.803 -0.119 0.000 0.845 134 Q CB 0.005 28.702 28.738 -0.068 0.000 0.907 134 Q HN 0.375 nan 8.270 nan 0.000 0.439 135 I N 0.801 121.273 120.570 -0.164 0.000 2.208 135 I HA -0.307 3.864 4.170 0.001 0.000 0.245 135 I C 2.436 178.433 176.117 -0.200 0.000 1.097 135 I CA 0.993 62.201 61.300 -0.154 0.000 1.363 135 I CB -0.409 37.506 38.000 -0.142 0.000 1.051 135 I HN 0.174 nan 8.210 nan 0.000 0.413 136 A N -0.229 122.380 122.820 -0.352 0.000 1.883 136 A HA -0.278 4.042 4.320 0.001 0.000 0.217 136 A C 2.496 179.712 177.584 -0.614 0.000 1.186 136 A CA 2.377 53.980 52.037 -0.723 0.000 0.624 136 A CB -0.924 17.323 19.000 -1.255 0.000 0.822 136 A HN 0.413 nan 8.150 nan 0.000 0.444 137 S N -0.411 115.055 115.700 -0.391 0.000 2.356 137 S HA -0.205 4.265 4.470 0.001 0.000 0.223 137 S C 1.720 176.249 174.600 -0.117 0.000 1.032 137 S CA 1.814 59.877 58.200 -0.228 0.000 1.005 137 S CB -0.558 62.553 63.200 -0.148 0.000 0.867 137 S HN 0.563 nan 8.310 nan 0.000 0.449 138 D N 1.010 121.356 120.400 -0.091 0.000 2.104 138 D HA -0.080 4.560 4.640 0.001 0.000 0.194 138 D C 2.014 178.321 176.300 0.011 0.000 0.994 138 D CA 1.314 55.302 54.000 -0.021 0.000 0.830 138 D CB -0.357 40.423 40.800 -0.034 0.000 0.959 138 D HN 0.472 nan 8.370 nan 0.000 0.452 139 M N -0.332 119.270 119.600 0.003 0.000 2.175 139 M HA -0.113 4.367 4.480 0.001 0.000 0.264 139 M C 2.097 178.486 176.300 0.148 0.000 1.063 139 M CA 0.673 56.033 55.300 0.100 0.000 1.119 139 M CB -0.121 32.591 32.600 0.188 0.000 1.377 139 M HN 0.033 nan 8.290 nan 0.000 0.415 140 L N 0.766 122.060 121.223 0.119 0.000 2.046 140 L HA -0.069 4.272 4.340 0.001 0.000 0.208 140 L C 2.541 179.486 176.870 0.124 0.000 1.077 140 L CA 2.056 56.978 54.840 0.135 0.000 0.747 140 L CB -0.838 41.282 42.059 0.102 0.000 0.896 140 L HN 0.194 nan 8.230 nan 0.000 0.432 141 A N -1.743 121.129 122.820 0.086 0.000 1.933 141 A HA -0.188 4.133 4.320 0.001 0.000 0.218 141 A C 2.260 179.914 177.584 0.117 0.000 1.175 141 A CA 2.169 54.262 52.037 0.094 0.000 0.628 141 A CB -1.159 17.883 19.000 0.070 0.000 0.814 141 A HN 0.497 nan 8.150 nan 0.000 0.444 142 T N -0.802 113.825 114.554 0.122 0.000 2.788 142 T HA 0.184 4.535 4.350 0.001 0.000 0.268 142 T C 1.453 176.244 174.700 0.152 0.000 1.044 142 T CA 1.850 64.031 62.100 0.134 0.000 1.139 142 T CB -0.540 68.406 68.868 0.130 0.000 0.867 142 T HN 1.591 nan 8.240 nan 0.000 0.454 143 G N 1.551 110.466 108.800 0.191 0.000 2.182 143 G HA2 -0.027 3.934 3.960 0.001 0.000 0.248 143 G HA3 -0.027 3.934 3.960 0.001 0.000 0.248 143 G C 0.160 175.210 174.900 0.251 0.000 1.042 143 G CA -0.075 45.182 45.100 0.263 0.000 0.775 143 G HN 0.898 nan 8.290 nan 0.000 0.501 144 A N -0.160 122.795 122.820 0.225 0.000 2.561 144 A HA 0.406 4.726 4.320 0.001 0.000 0.234 144 A C 1.443 179.164 177.584 0.228 0.000 1.055 144 A CA 1.008 53.162 52.037 0.194 0.000 0.756 144 A CB 0.313 19.413 19.000 0.167 0.000 0.986 144 A HN 0.384 nan 8.150 nan 0.000 0.505 145 D N 0.618 121.094 120.400 0.126 0.000 2.117 145 D HA -0.038 4.603 4.640 0.001 0.000 0.198 145 D C 0.200 176.559 176.300 0.100 0.000 0.982 145 D CA 1.526 55.557 54.000 0.051 0.000 0.828 145 D CB 0.004 40.793 40.800 -0.019 0.000 0.967 145 D HN 0.260 nan 8.370 nan 0.000 0.464 146 V N 1.524 121.476 119.914 0.063 0.000 2.444 146 V HA 0.355 4.476 4.120 0.001 0.000 0.294 146 V C -0.227 175.869 176.094 0.003 0.000 1.022 146 V CA -0.364 61.946 62.300 0.016 0.000 0.850 146 V CB 2.019 33.799 31.823 -0.072 0.000 0.992 146 V HN -0.017 nan 8.190 nan 0.000 0.426 147 M N 6.715 126.297 119.600 -0.031 0.000 2.124 147 M HA 0.587 5.067 4.480 0.001 0.000 0.280 147 M C -1.585 174.626 176.300 -0.148 0.000 0.954 147 M CA -0.202 55.044 55.300 -0.089 0.000 0.958 147 M CB 2.075 34.599 32.600 -0.127 0.000 1.611 147 M HN 0.397 nan 8.290 nan 0.000 0.449 148 L N 1.968 123.139 121.223 -0.085 0.000 2.404 148 L HA 0.800 5.140 4.340 0.001 0.000 0.272 148 L C -0.286 176.604 176.870 0.033 0.000 0.980 148 L CA -0.278 54.566 54.840 0.006 0.000 0.836 148 L CB 2.010 44.130 42.059 0.101 0.000 1.238 148 L HN 0.790 nan 8.230 nan 0.000 0.408 149 S N 0.984 116.707 115.700 0.038 0.000 2.694 149 S HA 0.729 5.199 4.470 0.001 0.000 0.273 149 S C -0.430 174.215 174.600 0.075 0.000 1.180 149 S CA 0.118 58.351 58.200 0.055 0.000 0.864 149 S CB 1.053 64.249 63.200 -0.007 0.000 1.198 149 S HN 0.704 nan 8.310 nan 0.000 0.499 150 G N -0.354 108.487 108.800 0.067 0.000 2.543 150 G HA2 0.515 4.475 3.960 0.001 0.000 0.267 150 G HA3 0.515 4.475 3.960 0.001 0.000 0.267 150 G C 0.866 175.801 174.900 0.059 0.000 1.406 150 G CA 0.107 45.253 45.100 0.077 0.000 1.048 150 G HN 2.010 nan 8.290 nan 0.000 0.548 151 G N -1.856 106.996 108.800 0.088 0.000 2.165 151 G HA2 -0.110 3.850 3.960 0.001 0.000 0.226 151 G HA3 -0.110 3.850 3.960 0.001 0.000 0.226 151 G C 0.992 175.995 174.900 0.172 0.000 1.035 151 G CA 0.612 45.797 45.100 0.142 0.000 0.744 151 G HN 1.157 nan 8.290 nan 0.000 0.501 152 L N 1.139 122.412 121.223 0.084 0.000 2.189 152 L HA -0.060 4.280 4.340 0.001 0.000 0.214 152 L C 2.920 179.896 176.870 0.177 0.000 1.097 152 L CA 2.980 57.896 54.840 0.127 0.000 0.764 152 L CB -0.337 41.784 42.059 0.103 0.000 0.900 152 L HN 0.637 nan 8.230 nan 0.000 0.436 153 R N -1.728 118.768 120.500 -0.006 0.000 2.200 153 R HA -0.187 4.153 4.340 0.001 0.000 0.234 153 R C 1.146 177.322 176.300 -0.206 0.000 1.127 153 R CA 1.727 57.742 56.100 -0.142 0.000 0.989 153 R CB -1.038 28.995 30.300 -0.446 0.000 0.869 153 R HN 0.532 nan 8.270 nan 0.000 0.459 154 H N -1.682 117.485 119.070 0.162 0.000 2.526 154 H HA 0.053 4.610 4.556 0.001 0.000 0.274 154 H C 0.119 175.321 175.328 -0.210 0.000 0.999 154 H CA 0.289 56.323 56.048 -0.023 0.000 1.157 154 H CB 0.133 29.839 29.762 -0.093 0.000 1.407 154 H HN 0.375 nan 8.280 nan 0.000 0.568 155 W N 1.068 122.399 121.300 0.050 0.000 2.714 155 W HA 0.269 4.930 4.660 0.001 0.000 0.353 155 W C 0.565 177.093 176.519 0.015 0.000 0.999 155 W CA -0.208 57.156 57.345 0.030 0.000 1.629 155 W CB 0.689 30.160 29.460 0.018 0.000 1.106 155 W HN -0.083 nan 8.180 nan 0.000 0.545 156 I N -1.145 119.525 120.570 0.167 0.000 2.740 156 I HA 0.681 4.851 4.170 0.001 0.000 0.303 156 I C -2.413 173.735 176.117 0.052 0.000 1.044 156 I CA -3.036 58.322 61.300 0.097 0.000 1.064 156 I CB 1.899 39.940 38.000 0.068 0.000 1.249 156 I HN -0.418 nan 8.210 nan 0.000 0.433 157 P HA 0.137 nan 4.420 nan 0.000 0.274 157 P C -0.022 177.294 177.300 0.026 0.000 1.237 157 P CA -0.484 62.632 63.100 0.027 0.000 0.793 157 P CB 0.815 32.529 31.700 0.024 0.000 0.977 158 K N 0.268 120.681 120.400 0.020 0.000 2.211 158 K HA -0.136 4.185 4.320 0.001 0.000 0.204 158 K C 1.602 178.214 176.600 0.019 0.000 1.047 158 K CA 2.076 58.375 56.287 0.020 0.000 0.935 158 K CB -0.969 31.540 32.500 0.014 0.000 0.728 158 K HN 0.396 nan 8.250 nan 0.000 0.452 159 S N 0.761 116.472 115.700 0.019 0.000 2.440 159 S HA -0.147 4.324 4.470 0.001 0.000 0.238 159 S C 1.768 176.388 174.600 0.033 0.000 1.010 159 S CA 1.556 59.768 58.200 0.019 0.000 0.972 159 S CB -0.939 62.272 63.200 0.019 0.000 0.774 159 S HN 0.393 nan 8.310 nan 0.000 0.501 160 T N 3.289 117.872 114.554 0.047 0.000 2.721 160 T HA -0.119 4.231 4.350 0.001 0.000 0.268 160 T C 1.516 176.269 174.700 0.089 0.000 1.038 160 T CA 1.740 63.895 62.100 0.091 0.000 1.145 160 T CB -0.600 68.309 68.868 0.068 0.000 0.858 160 T HN 0.521 nan 8.240 nan 0.000 0.459 161 N N 1.223 119.940 118.700 0.028 0.000 2.512 161 N HA -0.041 4.699 4.740 0.001 0.000 0.183 161 N C 1.058 176.529 175.510 -0.064 0.000 1.073 161 N CA 0.593 53.633 53.050 -0.017 0.000 0.911 161 N CB -0.208 38.276 38.487 -0.004 0.000 0.964 161 N HN 0.401 nan 8.380 nan 0.000 0.447 162 D N 0.897 121.267 120.400 -0.050 0.000 2.347 162 D HA -0.005 4.636 4.640 0.001 0.000 0.215 162 D C 0.246 176.461 176.300 -0.142 0.000 0.976 162 D CA 0.298 54.254 54.000 -0.073 0.000 0.884 162 D CB 0.114 40.892 40.800 -0.037 0.000 0.915 162 D HN 0.186 nan 8.370 nan 0.000 0.526 163 K N -0.387 119.876 120.400 -0.227 0.000 3.096 163 K HA -0.151 4.169 4.320 0.001 0.000 0.266 163 K C 0.712 177.182 176.600 -0.216 0.000 1.043 163 K CA 0.390 56.367 56.287 -0.516 0.000 0.758 163 K CB -1.565 30.529 32.500 -0.677 0.000 1.260 163 K HN 0.297 nan 8.250 nan 0.000 0.481 164 G N 0.513 109.289 108.800 -0.041 0.000 3.247 164 G HA2 0.200 4.160 3.960 0.001 0.000 0.163 164 G HA3 0.200 4.160 3.960 0.001 0.000 0.163 164 G C 0.590 175.530 174.900 0.067 0.000 1.206 164 G CA 0.213 45.316 45.100 0.006 0.000 0.918 164 G HN 0.162 nan 8.290 nan 0.000 0.625 165 E N -0.338 119.887 120.200 0.043 0.000 2.058 165 E HA -0.101 4.250 4.350 0.001 0.000 0.194 165 E C 2.487 179.115 176.600 0.047 0.000 0.997 165 E CA 2.392 58.816 56.400 0.041 0.000 0.801 165 E CB -0.689 29.024 29.700 0.022 0.000 0.746 165 E HN 0.340 nan 8.360 nan 0.000 0.450 166 T N -0.276 114.307 114.554 0.048 0.000 2.708 166 T HA -0.179 4.171 4.350 0.001 0.000 0.266 166 T C 1.481 176.205 174.700 0.040 0.000 1.037 166 T CA 1.423 63.544 62.100 0.034 0.000 1.146 166 T CB -0.703 68.184 68.868 0.032 0.000 0.865 166 T HN 0.348 nan 8.240 nan 0.000 0.435 167 Y N 2.092 122.361 120.300 -0.052 0.000 2.114 167 Y HA -0.226 4.324 4.550 0.001 0.000 0.282 167 Y C 2.273 178.132 175.900 -0.069 0.000 1.165 167 Y CA 1.572 59.630 58.100 -0.070 0.000 1.148 167 Y CB -0.128 38.290 38.460 -0.070 0.000 0.972 167 Y HN 0.095 nan 8.280 nan 0.000 0.504 168 K N -0.235 120.241 120.400 0.127 0.000 2.097 168 K HA -0.210 4.110 4.320 0.001 0.000 0.206 168 K C 2.146 178.710 176.600 -0.060 0.000 1.049 168 K CA 1.802 58.112 56.287 0.037 0.000 0.933 168 K CB -0.225 32.323 32.500 0.080 0.000 0.717 168 K HN 0.491 nan 8.250 nan 0.000 0.442 169 Q N 0.636 120.406 119.800 -0.050 0.000 2.084 169 Q HA -0.109 4.232 4.340 0.001 0.000 0.202 169 Q C 2.151 178.072 176.000 -0.130 0.000 0.978 169 Q CA 1.195 56.958 55.803 -0.066 0.000 0.844 169 Q CB -0.089 28.626 28.738 -0.039 0.000 0.898 169 Q HN 0.289 nan 8.270 nan 0.000 0.426 170 L N 0.376 121.488 121.223 -0.185 0.000 2.093 170 L HA -0.187 4.153 4.340 0.001 0.000 0.208 170 L C 2.428 179.089 176.870 -0.349 0.000 1.085 170 L CA 1.064 55.733 54.840 -0.284 0.000 0.755 170 L CB -0.320 41.560 42.059 -0.298 0.000 0.904 170 L HN 0.309 nan 8.230 nan 0.000 0.435 171 E N 0.553 120.534 120.200 -0.366 0.000 2.118 171 E HA -0.292 4.059 4.350 0.001 0.000 0.195 171 E C 2.224 178.707 176.600 -0.195 0.000 0.992 171 E CA 1.386 57.594 56.400 -0.320 0.000 0.804 171 E CB 0.119 29.635 29.700 -0.307 0.000 0.741 171 E HN 0.293 nan 8.360 nan 0.000 0.458 172 K N 0.178 120.488 120.400 -0.149 0.000 2.025 172 K HA -0.162 4.159 4.320 0.001 0.000 0.207 172 K C 2.310 178.851 176.600 -0.099 0.000 1.049 172 K CA 1.060 57.291 56.287 -0.093 0.000 0.933 172 K CB -0.184 32.280 32.500 -0.060 0.000 0.714 172 K HN 0.142 nan 8.250 nan 0.000 0.438 173 L N 1.469 122.606 121.223 -0.142 0.000 2.012 173 L HA -0.154 4.186 4.340 0.001 0.000 0.210 173 L C 2.119 178.868 176.870 -0.202 0.000 1.073 173 L CA 2.523 57.279 54.840 -0.140 0.000 0.748 173 L CB -0.870 41.076 42.059 -0.188 0.000 0.891 173 L HN 0.421 nan 8.230 nan 0.000 0.431 174 T N -3.753 110.562 114.554 -0.399 0.000 3.148 174 T HA 0.015 4.366 4.350 0.001 0.000 0.253 174 T C 0.872 175.519 174.700 -0.088 0.000 1.134 174 T CA 0.412 62.278 62.100 -0.390 0.000 1.051 174 T CB -0.381 68.171 68.868 -0.528 0.000 0.959 174 T HN 0.597 nan 8.240 nan 0.000 0.525 175 Q N 0.082 119.842 119.800 -0.067 0.000 2.480 175 Q HA -0.225 4.115 4.340 0.001 0.000 0.265 175 Q C 1.166 177.157 176.000 -0.014 0.000 1.072 175 Q CA 0.478 56.273 55.803 -0.014 0.000 1.018 175 Q CB -2.302 26.459 28.738 0.038 0.000 1.433 175 Q HN 1.000 nan 8.270 nan 0.000 0.513 176 G N -0.421 108.347 108.800 -0.053 0.000 2.162 176 G HA2 -0.305 3.655 3.960 0.001 0.000 0.260 176 G HA3 -0.305 3.655 3.960 0.001 0.000 0.260 176 G C 0.184 175.086 174.900 0.004 0.000 0.976 176 G CA 0.440 45.518 45.100 -0.036 0.000 0.655 176 G HN 0.451 nan 8.290 nan 0.000 0.533 177 D N -0.343 120.071 120.400 0.022 0.000 2.349 177 D HA 0.310 4.950 4.640 0.001 0.000 0.214 177 D C 0.611 176.972 176.300 0.100 0.000 1.063 177 D CA 0.477 54.521 54.000 0.073 0.000 0.847 177 D CB 0.958 41.821 40.800 0.105 0.000 0.933 177 D HN 0.320 nan 8.370 nan 0.000 0.513 178 V N 1.244 121.197 119.914 0.065 0.000 2.638 178 V HA 0.143 4.264 4.120 0.001 0.000 0.306 178 V C -0.713 175.443 176.094 0.104 0.000 1.052 178 V CA -1.228 61.137 62.300 0.109 0.000 0.885 178 V CB 2.169 34.041 31.823 0.083 0.000 0.999 178 V HN -0.013 nan 8.190 nan 0.000 0.424 179 Y N 5.317 125.651 120.300 0.056 0.000 2.544 179 Y HA 0.363 4.913 4.550 0.001 0.000 0.330 179 Y C -0.189 175.728 175.900 0.028 0.000 1.136 179 Y CA -0.108 58.003 58.100 0.017 0.000 1.417 179 Y CB 0.431 38.879 38.460 -0.020 0.000 1.229 179 Y HN 0.524 nan 8.280 nan 0.000 0.532 180 L N 8.385 129.300 121.223 -0.514 0.000 2.259 180 L HA 0.454 4.795 4.340 0.001 0.000 0.288 180 L C -0.430 176.199 176.870 -0.401 0.000 1.051 180 L CA -0.423 54.198 54.840 -0.365 0.000 0.824 180 L CB 0.604 42.400 42.059 -0.439 0.000 1.206 180 L HN 0.620 nan 8.230 nan 0.000 0.429 181 K N 2.243 122.528 120.400 -0.191 0.000 2.570 181 K HA 0.355 4.676 4.320 0.001 0.000 0.256 181 K C -1.483 175.205 176.600 0.146 0.000 0.939 181 K CA -0.398 55.847 56.287 -0.070 0.000 0.833 181 K CB 2.225 34.596 32.500 -0.213 0.000 1.318 181 K HN 0.390 nan 8.250 nan 0.000 0.433 182 S N 2.379 118.134 115.700 0.091 0.000 2.525 182 S HA 0.365 4.836 4.470 0.001 0.000 0.290 182 S C 0.160 174.793 174.600 0.055 0.000 1.152 182 S CA -0.575 57.664 58.200 0.065 0.000 1.072 182 S CB 1.032 64.257 63.200 0.042 0.000 1.027 182 S HN 0.624 nan 8.310 nan 0.000 0.500 183 K N 2.562 122.950 120.400 -0.021 0.000 2.358 183 K HA 0.201 4.521 4.320 0.001 0.000 0.197 183 K C 0.315 176.939 176.600 0.039 0.000 1.025 183 K CA 0.000 56.283 56.287 -0.006 0.000 1.104 183 K CB 0.242 32.674 32.500 -0.112 0.000 0.855 183 K HN 0.569 nan 8.250 nan 0.000 0.531 184 R N 1.036 121.553 120.500 0.028 0.000 2.641 184 R HA 0.119 4.459 4.340 0.001 0.000 0.269 184 R C 0.901 177.214 176.300 0.023 0.000 1.074 184 R CA 0.062 56.180 56.100 0.029 0.000 1.133 184 R CB 0.555 30.861 30.300 0.010 0.000 1.029 184 R HN -0.225 nan 8.270 nan 0.000 0.488 185 K N 1.748 122.157 120.400 0.015 0.000 2.399 185 K HA 0.073 4.394 4.320 0.001 0.000 0.204 185 K C -0.522 176.081 176.600 0.005 0.000 1.023 185 K CA 0.231 56.525 56.287 0.011 0.000 1.127 185 K CB 0.229 32.735 32.500 0.009 0.000 0.856 185 K HN 0.662 nan 8.250 nan 0.000 0.514 186 D N -1.183 119.218 120.400 0.002 0.000 2.614 186 D HA 0.082 4.722 4.640 0.001 0.000 0.264 186 D C 0.031 176.333 176.300 0.003 0.000 1.092 186 D CA -0.705 53.295 54.000 -0.000 0.000 1.071 186 D CB 0.366 41.162 40.800 -0.007 0.000 1.443 186 D HN -0.172 nan 8.370 nan 0.000 0.528 187 D N -1.528 118.874 120.400 0.004 0.000 2.358 187 D HA 0.059 4.699 4.640 0.001 0.000 0.224 187 D C -0.124 176.182 176.300 0.010 0.000 1.123 187 D CA -0.397 53.608 54.000 0.008 0.000 0.833 187 D CB -0.168 40.637 40.800 0.009 0.000 0.946 187 D HN 0.188 nan 8.370 nan 0.000 0.505 188 R N 0.737 121.239 120.500 0.004 0.000 2.491 188 R HA 0.203 4.544 4.340 0.001 0.000 0.283 188 R C -0.089 176.223 176.300 0.019 0.000 1.072 188 R CA -0.244 55.859 56.100 0.005 0.000 1.048 188 R CB 0.346 30.638 30.300 -0.014 0.000 0.983 188 R HN 0.003 nan 8.270 nan 0.000 0.450 189 N N 3.919 122.639 118.700 0.034 0.000 2.621 189 N HA 0.068 4.808 4.740 0.001 0.000 0.237 189 N C 0.170 175.731 175.510 0.084 0.000 0.997 189 N CA -0.209 52.876 53.050 0.059 0.000 0.918 189 N CB 1.041 39.558 38.487 0.051 0.000 1.122 189 N HN 0.409 nan 8.380 nan 0.000 0.510 190 L N 3.413 124.709 121.223 0.120 0.000 2.376 190 L HA 0.071 4.412 4.340 0.001 0.000 0.219 190 L C 2.052 179.059 176.870 0.228 0.000 1.133 190 L CA 0.803 55.746 54.840 0.173 0.000 0.816 190 L CB -0.211 41.955 42.059 0.178 0.000 0.933 190 L HN 0.552 nan 8.230 nan 0.000 0.449 191 L N -1.446 119.900 121.223 0.205 0.000 2.017 191 L HA -0.195 4.146 4.340 0.001 0.000 0.208 191 L C 2.415 179.353 176.870 0.114 0.000 1.073 191 L CA 1.554 56.485 54.840 0.152 0.000 0.745 191 L CB -1.222 40.939 42.059 0.170 0.000 0.894 191 L HN 0.219 nan 8.230 nan 0.000 0.432 192 T N -0.611 114.002 114.554 0.099 0.000 2.746 192 T HA -0.180 4.170 4.350 0.001 0.000 0.267 192 T C 1.748 176.499 174.700 0.085 0.000 1.039 192 T CA 1.421 63.569 62.100 0.080 0.000 1.142 192 T CB -0.210 68.695 68.868 0.061 0.000 0.866 192 T HN 0.388 nan 8.240 nan 0.000 0.444 193 E N 1.176 121.429 120.200 0.088 0.000 2.085 193 E HA -0.095 4.255 4.350 0.001 0.000 0.194 193 E C 2.586 179.258 176.600 0.120 0.000 0.994 193 E CA 1.040 57.494 56.400 0.091 0.000 0.801 193 E CB -0.253 29.494 29.700 0.079 0.000 0.743 193 E HN 0.492 nan 8.360 nan 0.000 0.453 194 A N 1.526 124.417 122.820 0.118 0.000 1.902 194 A HA -0.245 4.076 4.320 0.001 0.000 0.217 194 A C 1.958 179.691 177.584 0.249 0.000 1.181 194 A CA 1.468 53.584 52.037 0.132 0.000 0.623 194 A CB -0.416 18.531 19.000 -0.088 0.000 0.818 194 A HN 0.164 nan 8.150 nan 0.000 0.443 195 E N -0.510 119.784 120.200 0.156 0.000 2.077 195 E HA -0.222 4.128 4.350 0.001 0.000 0.193 195 E C 2.072 178.740 176.600 0.114 0.000 0.989 195 E CA 1.338 57.818 56.400 0.133 0.000 0.800 195 E CB -0.152 29.604 29.700 0.093 0.000 0.746 195 E HN 0.649 nan 8.360 nan 0.000 0.452 196 K N 0.833 121.296 120.400 0.105 0.000 2.152 196 K HA -0.175 4.145 4.320 0.001 0.000 0.206 196 K C 0.928 177.582 176.600 0.091 0.000 1.048 196 K CA 1.367 57.704 56.287 0.083 0.000 0.933 196 K CB 0.156 32.700 32.500 0.073 0.000 0.721 196 K HN -0.026 nan 8.250 nan 0.000 0.447 197 D N -0.894 119.592 120.400 0.144 0.000 2.340 197 D HA 0.065 4.706 4.640 0.001 0.000 0.220 197 D C 0.796 177.132 176.300 0.059 0.000 1.039 197 D CA 0.914 55.001 54.000 0.145 0.000 0.866 197 D CB 0.708 41.671 40.800 0.272 0.000 0.913 197 D HN 0.509 nan 8.370 nan 0.000 0.523 198 G N 0.064 108.895 108.800 0.052 0.000 2.159 198 G HA2 -0.280 3.680 3.960 0.001 0.000 0.227 198 G HA3 -0.280 3.680 3.960 0.001 0.000 0.227 198 G C -0.064 174.773 174.900 -0.104 0.000 0.986 198 G CA -0.462 44.611 45.100 -0.045 0.000 0.651 198 G HN 0.288 nan 8.290 nan 0.000 0.523 199 Y N 1.488 121.785 120.300 -0.006 0.000 2.359 199 Y HA 0.476 5.026 4.550 0.001 0.000 0.330 199 Y C 1.301 177.175 175.900 -0.042 0.000 1.143 199 Y CA 0.044 58.125 58.100 -0.031 0.000 1.318 199 Y CB 0.628 39.064 38.460 -0.039 0.000 1.234 199 Y HN 0.256 nan 8.280 nan 0.000 0.522 200 Q N 2.764 122.610 119.800 0.077 0.000 2.260 200 Q HA 0.517 4.857 4.340 0.001 0.000 0.238 200 Q C -1.040 174.941 176.000 -0.032 0.000 0.948 200 Q CA -0.641 55.174 55.803 0.019 0.000 0.895 200 Q CB 1.260 29.989 28.738 -0.015 0.000 1.218 200 Q HN 0.562 nan 8.270 nan 0.000 0.470 201 L N 0.629 121.794 121.223 -0.097 0.000 2.334 201 L HA 0.855 5.195 4.340 0.001 0.000 0.273 201 L C -0.666 175.943 176.870 -0.435 0.000 1.013 201 L CA -0.905 53.752 54.840 -0.305 0.000 0.816 201 L CB 1.798 43.733 42.059 -0.207 0.000 1.278 201 L HN 0.620 nan 8.230 nan 0.000 0.431 202 A N 1.359 123.692 122.820 -0.812 0.000 2.486 202 A HA 0.773 5.093 4.320 0.001 0.000 0.300 202 A C -0.950 175.979 177.584 -1.091 0.000 1.048 202 A CA -0.304 51.361 52.037 -0.621 0.000 0.696 202 A CB 1.011 19.909 19.000 -0.171 0.000 1.278 202 A HN 0.636 nan 8.150 nan 0.000 0.405 203 F N 0.715 120.641 119.950 -0.039 0.000 2.856 203 F HA 0.223 4.751 4.527 0.001 0.000 0.338 203 F C 0.584 176.555 175.800 0.284 0.000 1.100 203 F CA -0.059 57.915 58.000 -0.042 0.000 1.150 203 F CB 0.511 39.472 39.000 -0.065 0.000 1.101 203 F HN 0.714 nan 8.300 nan 0.000 0.548 204 N N -1.717 117.265 118.700 0.470 0.000 3.277 204 N HA 0.297 5.037 4.740 0.001 0.000 0.278 204 N C 0.255 175.849 175.510 0.141 0.000 1.544 204 N CA -0.980 52.250 53.050 0.300 0.000 0.869 204 N CB 0.745 39.346 38.487 0.188 0.000 1.584 204 N HN -0.220 nan 8.380 nan 0.000 0.564 205 R N -0.683 119.821 120.500 0.006 0.000 2.081 205 R HA 0.052 4.393 4.340 0.001 0.000 0.235 205 R C 0.867 177.163 176.300 -0.006 0.000 1.131 205 R CA 1.383 57.450 56.100 -0.055 0.000 0.960 205 R CB -0.493 29.770 30.300 -0.063 0.000 0.856 205 R HN 0.508 nan 8.270 nan 0.000 0.436 206 N N 0.677 119.393 118.700 0.025 0.000 2.069 206 N HA -0.149 4.591 4.740 0.001 0.000 0.191 206 N C 1.753 177.283 175.510 0.034 0.000 1.031 206 N CA 1.582 54.648 53.050 0.026 0.000 0.852 206 N CB -0.134 38.374 38.487 0.035 0.000 1.018 206 N HN 0.232 nan 8.380 nan 0.000 0.423 207 M N -0.226 119.412 119.600 0.063 0.000 2.229 207 M HA -0.073 4.407 4.480 0.001 0.000 0.264 207 M C 1.974 178.296 176.300 0.035 0.000 1.063 207 M CA 0.785 56.118 55.300 0.055 0.000 1.114 207 M CB -0.186 32.461 32.600 0.078 0.000 1.387 207 M HN 0.066 nan 8.290 nan 0.000 0.420 208 L N 0.912 122.171 121.223 0.060 0.000 2.017 208 L HA -0.202 4.139 4.340 0.001 0.000 0.208 208 L C 1.712 178.574 176.870 -0.013 0.000 1.073 208 L CA 2.030 56.891 54.840 0.035 0.000 0.745 208 L CB -0.628 41.430 42.059 -0.002 0.000 0.894 208 L HN 0.176 nan 8.230 nan 0.000 0.432 209 D N -0.233 120.156 120.400 -0.019 0.000 2.117 209 D HA -0.173 4.467 4.640 0.001 0.000 0.197 209 D C 1.707 177.996 176.300 -0.018 0.000 0.987 209 D CA 1.511 55.496 54.000 -0.025 0.000 0.829 209 D CB -0.241 40.547 40.800 -0.020 0.000 0.961 209 D HN 0.417 nan 8.370 nan 0.000 0.460 210 D N 0.250 120.646 120.400 -0.008 0.000 2.317 210 D HA 0.063 4.703 4.640 0.001 0.000 0.211 210 D C 0.484 176.778 176.300 -0.011 0.000 0.966 210 D CA 0.219 54.216 54.000 -0.006 0.000 0.876 210 D CB -0.174 40.628 40.800 0.004 0.000 0.927 210 D HN 0.058 nan 8.370 nan 0.000 0.519 211 A N 1.021 123.831 122.820 -0.017 0.000 2.492 211 A HA 0.102 4.423 4.320 0.001 0.000 0.254 211 A C 1.159 178.724 177.584 -0.031 0.000 1.091 211 A CA 0.137 52.159 52.037 -0.025 0.000 0.768 211 A CB 0.422 19.401 19.000 -0.034 0.000 1.028 211 A HN -0.146 nan 8.150 nan 0.000 0.498 212 K N 2.516 122.899 120.400 -0.029 0.000 2.373 212 K HA 0.125 4.445 4.320 0.001 0.000 0.200 212 K C 1.054 177.631 176.600 -0.038 0.000 1.054 212 K CA 0.661 56.929 56.287 -0.031 0.000 1.065 212 K CB 0.751 33.237 32.500 -0.023 0.000 0.886 212 K HN 0.773 nan 8.250 nan 0.000 0.546 213 G N 1.014 109.789 108.800 -0.042 0.000 2.616 213 G HA2 0.031 3.991 3.960 0.001 0.000 0.268 213 G HA3 0.031 3.991 3.960 0.001 0.000 0.268 213 G C 0.129 174.988 174.900 -0.068 0.000 1.213 213 G CA -0.308 44.760 45.100 -0.052 0.000 0.926 213 G HN -0.054 nan 8.290 nan 0.000 0.523 214 D N -0.770 119.583 120.400 -0.080 0.000 2.355 214 D HA 0.065 4.706 4.640 0.001 0.000 0.218 214 D C 0.511 176.739 176.300 -0.120 0.000 1.004 214 D CA 0.934 54.879 54.000 -0.091 0.000 0.880 214 D CB 0.386 41.137 40.800 -0.080 0.000 0.911 214 D HN 0.253 nan 8.370 nan 0.000 0.528 215 K N 0.545 120.856 120.400 -0.148 0.000 2.426 215 K HA 0.505 4.825 4.320 0.001 0.000 0.254 215 K C -1.247 175.320 176.600 -0.056 0.000 0.936 215 K CA -0.803 55.355 56.287 -0.214 0.000 0.801 215 K CB 2.692 34.851 32.500 -0.568 0.000 1.139 215 K HN -0.170 nan 8.250 nan 0.000 0.424 216 L N 3.828 125.103 121.223 0.086 0.000 2.470 216 L HA 0.464 4.805 4.340 0.001 0.000 0.268 216 L C -2.088 174.825 176.870 0.072 0.000 0.964 216 L CA -0.845 54.037 54.840 0.071 0.000 0.839 216 L CB 1.794 43.837 42.059 -0.026 0.000 1.276 216 L HN 0.569 nan 8.230 nan 0.000 0.403 217 L N 4.735 125.918 121.223 -0.067 0.000 2.294 217 L HA 0.898 5.238 4.340 0.001 0.000 0.283 217 L C -0.143 176.419 176.870 -0.513 0.000 1.015 217 L CA 0.061 54.697 54.840 -0.341 0.000 0.831 217 L CB 1.299 43.060 42.059 -0.496 0.000 1.217 217 L HN 0.714 nan 8.230 nan 0.000 0.420 218 G N 6.083 114.544 108.800 -0.564 0.000 2.487 218 G HA2 0.622 4.583 3.960 0.001 0.000 0.314 218 G HA3 0.622 4.583 3.960 0.001 0.000 0.314 218 G C -1.430 172.747 174.900 -1.206 0.000 1.267 218 G CA -0.429 44.086 45.100 -0.976 0.000 0.937 218 G HN 0.538 nan 8.290 nan 0.000 0.481 219 L N 2.509 122.929 121.223 -1.339 0.000 2.415 219 L HA 0.381 4.722 4.340 0.001 0.000 0.268 219 L C -0.373 176.181 176.870 -0.527 0.000 0.984 219 L CA -0.623 53.772 54.840 -0.743 0.000 0.853 219 L CB 1.499 43.295 42.059 -0.438 0.000 1.215 219 L HN 0.569 nan 8.230 nan 0.000 0.419 220 F N 1.637 121.589 119.950 0.002 0.000 2.678 220 F HA 0.555 5.082 4.527 0.001 0.000 0.305 220 F C 0.968 176.817 175.800 0.083 0.000 1.090 220 F CA -0.301 57.725 58.000 0.043 0.000 1.272 220 F CB 0.663 39.650 39.000 -0.022 0.000 1.060 220 F HN 0.439 nan 8.300 nan 0.000 0.576 221 A N -1.550 121.396 122.820 0.210 0.000 2.608 221 A HA 0.364 4.684 4.320 0.001 0.000 0.292 221 A C -0.155 177.562 177.584 0.221 0.000 1.066 221 A CA -0.648 51.521 52.037 0.220 0.000 0.676 221 A CB -0.002 19.118 19.000 0.201 0.000 1.277 221 A HN 0.100 nan 8.150 nan 0.000 0.413 222 Y N 1.306 121.707 120.300 0.168 0.000 2.097 222 Y HA -0.007 4.544 4.550 0.001 0.000 0.282 222 Y C 1.707 177.701 175.900 0.156 0.000 1.152 222 Y CA 3.187 61.393 58.100 0.177 0.000 1.136 222 Y CB -0.068 38.582 38.460 0.318 0.000 0.975 222 Y HN 0.779 nan 8.280 nan 0.000 0.498 223 S N -1.071 114.614 115.700 -0.026 0.000 4.359 223 S HA 0.528 4.999 4.470 0.001 0.000 0.202 223 S C 0.428 175.109 174.600 0.135 0.000 1.078 223 S CA -0.269 57.887 58.200 -0.072 0.000 1.776 223 S CB -0.157 62.996 63.200 -0.078 0.000 0.891 223 S HN 0.599 nan 8.310 nan 0.000 0.780 224 G N 1.485 110.427 108.800 0.236 0.000 2.544 224 G HA2 0.417 4.377 3.960 0.001 0.000 0.242 224 G HA3 0.417 4.377 3.960 0.001 0.000 0.242 224 G C -0.069 174.919 174.900 0.147 0.000 1.247 224 G CA -0.292 44.961 45.100 0.254 0.000 0.840 224 G HN 0.587 nan 8.290 nan 0.000 0.578 225 M N 0.132 119.762 119.600 0.050 0.000 1.921 225 M HA 0.151 4.632 4.480 0.001 0.000 0.243 225 M C 0.158 176.469 176.300 0.018 0.000 1.280 225 M CA -0.524 54.796 55.300 0.034 0.000 0.988 225 M CB 0.270 32.857 32.600 -0.021 0.000 1.336 225 M HN 0.313 nan 8.290 nan 0.000 0.496 226 D N 1.659 122.067 120.400 0.013 0.000 2.488 226 D HA 0.050 4.690 4.640 0.001 0.000 0.238 226 D C -0.730 175.579 176.300 0.016 0.000 1.138 226 D CA 0.173 54.196 54.000 0.038 0.000 0.873 226 D CB 0.238 41.077 40.800 0.065 0.000 1.183 226 D HN 0.458 nan 8.370 nan 0.000 0.458 227 D N -0.391 120.036 120.400 0.045 0.000 2.354 227 D HA 0.152 4.792 4.640 0.001 0.000 0.238 227 D C 1.520 177.859 176.300 0.065 0.000 1.250 227 D CA -0.502 53.519 54.000 0.035 0.000 0.911 227 D CB 0.367 41.203 40.800 0.059 0.000 1.163 227 D HN 0.276 nan 8.370 nan 0.000 0.456 228 G N -0.017 108.823 108.800 0.066 0.000 2.442 228 G HA2 -0.211 3.750 3.960 0.001 0.000 0.219 228 G HA3 -0.211 3.750 3.960 0.001 0.000 0.219 228 G C 1.490 176.440 174.900 0.083 0.000 1.141 228 G CA 0.680 45.877 45.100 0.161 0.000 0.763 228 G HN 0.591 nan 8.290 nan 0.000 0.554 229 I N 0.994 121.485 120.570 -0.132 0.000 2.333 229 I HA -0.058 4.113 4.170 0.001 0.000 0.246 229 I C 3.271 179.294 176.117 -0.158 0.000 1.106 229 I CA 0.755 61.821 61.300 -0.392 0.000 1.411 229 I CB -0.226 37.515 38.000 -0.431 0.000 1.082 229 I HN 0.232 nan 8.210 nan 0.000 0.420 230 A N 0.614 123.413 122.820 -0.035 0.000 1.908 230 A HA -0.302 4.019 4.320 0.001 0.000 0.218 230 A C 2.315 179.940 177.584 0.069 0.000 1.181 230 A CA 1.783 53.832 52.037 0.021 0.000 0.627 230 A CB -1.061 17.974 19.000 0.058 0.000 0.818 230 A HN 0.536 nan 8.150 nan 0.000 0.445 231 Y N 1.402 121.687 120.300 -0.024 0.000 2.097 231 Y HA -0.191 4.360 4.550 0.001 0.000 0.282 231 Y C 2.656 178.560 175.900 0.005 0.000 1.152 231 Y CA 1.610 59.704 58.100 -0.009 0.000 1.136 231 Y CB -0.841 37.615 38.460 -0.007 0.000 0.975 231 Y HN 0.281 nan 8.280 nan 0.000 0.498 232 S N 0.868 116.423 115.700 -0.241 0.000 2.383 232 S HA -0.209 4.261 4.470 0.001 0.000 0.229 232 S C 1.730 176.228 174.600 -0.169 0.000 1.030 232 S CA 1.420 59.463 58.200 -0.261 0.000 1.002 232 S CB -0.424 62.767 63.200 -0.016 0.000 0.829 232 S HN 0.561 nan 8.310 nan 0.000 0.467 233 N N 1.215 119.844 118.700 -0.118 0.000 2.188 233 N HA -0.018 4.723 4.740 0.001 0.000 0.184 233 N C 1.504 176.984 175.510 -0.050 0.000 1.018 233 N CA 0.949 53.954 53.050 -0.075 0.000 0.858 233 N CB -0.176 38.275 38.487 -0.060 0.000 0.989 233 N HN 0.449 nan 8.380 nan 0.000 0.426 234 K N 0.814 121.192 120.400 -0.036 0.000 2.217 234 K HA 0.051 4.371 4.320 0.001 0.000 0.202 234 K C 1.764 178.347 176.600 -0.028 0.000 1.051 234 K CA 0.617 56.901 56.287 -0.005 0.000 0.952 234 K CB 0.128 32.657 32.500 0.048 0.000 0.736 234 K HN 0.168 nan 8.250 nan 0.000 0.453 235 K N 1.112 121.452 120.400 -0.100 0.000 2.097 235 K HA -0.137 4.183 4.320 0.001 0.000 0.206 235 K C 1.888 178.451 176.600 -0.062 0.000 1.049 235 K CA 1.342 57.566 56.287 -0.105 0.000 0.933 235 K CB 0.039 32.406 32.500 -0.222 0.000 0.717 235 K HN 0.062 nan 8.250 nan 0.000 0.442 236 K N 0.436 120.801 120.400 -0.058 0.000 2.103 236 K HA -0.064 4.257 4.320 0.001 0.000 0.204 236 K C 2.238 178.828 176.600 -0.017 0.000 1.052 236 K CA 1.475 57.744 56.287 -0.029 0.000 0.945 236 K CB 0.031 32.517 32.500 -0.022 0.000 0.722 236 K HN 0.117 nan 8.250 nan 0.000 0.443 237 S N -0.402 115.289 115.700 -0.015 0.000 2.481 237 S HA 0.017 4.487 4.470 0.001 0.000 0.231 237 S C 1.600 176.199 174.600 -0.001 0.000 0.996 237 S CA 0.711 58.909 58.200 -0.005 0.000 0.942 237 S CB -0.074 63.126 63.200 -0.000 0.000 0.768 237 S HN 0.443 nan 8.310 nan 0.000 0.520 238 G N 0.632 109.430 108.800 -0.004 0.000 2.184 238 G HA2 -0.251 3.710 3.960 0.001 0.000 0.264 238 G HA3 -0.251 3.710 3.960 0.001 0.000 0.264 238 G C -0.251 174.653 174.900 0.008 0.000 0.975 238 G CA 0.335 45.435 45.100 0.000 0.000 0.642 238 G HN 0.639 nan 8.290 nan 0.000 0.536 239 E N -0.112 120.095 120.200 0.012 0.000 2.183 239 E HA 0.573 4.923 4.350 0.001 0.000 0.250 239 E C -0.022 176.595 176.600 0.028 0.000 0.901 239 E CA -0.562 55.849 56.400 0.019 0.000 0.741 239 E CB 1.233 30.944 29.700 0.019 0.000 1.182 239 E HN 0.302 nan 8.360 nan 0.000 0.425 240 R N 1.971 122.489 120.500 0.031 0.000 2.569 240 R HA 0.130 4.470 4.340 0.001 0.000 0.293 240 R C 0.245 176.563 176.300 0.030 0.000 1.186 240 R CA 0.064 56.189 56.100 0.041 0.000 0.956 240 R CB 0.736 31.070 30.300 0.057 0.000 1.196 240 R HN 0.573 nan 8.270 nan 0.000 0.444 241 T N -0.471 114.104 114.554 0.035 0.000 3.037 241 T HA 0.081 4.431 4.350 0.001 0.000 0.252 241 T C 0.669 175.380 174.700 0.019 0.000 1.073 241 T CA 0.112 62.233 62.100 0.034 0.000 1.091 241 T CB 0.313 69.215 68.868 0.056 0.000 0.935 241 T HN 0.415 nan 8.240 nan 0.000 0.488 242 Q N 3.059 122.863 119.800 0.007 0.000 2.286 242 Q HA 0.311 4.651 4.340 0.001 0.000 0.257 242 Q C -2.499 173.392 176.000 -0.182 0.000 0.941 242 Q CA -2.672 53.097 55.803 -0.056 0.000 0.912 242 Q CB 1.170 29.902 28.738 -0.010 0.000 1.192 242 Q HN 0.239 nan 8.270 nan 0.000 0.410 243 P HA -0.031 nan 4.420 nan 0.000 0.272 243 P C -0.738 176.326 177.300 -0.394 0.000 1.223 243 P CA -0.095 62.749 63.100 -0.427 0.000 0.784 243 P CB 0.973 32.251 31.700 -0.703 0.000 0.923 244 S N 1.764 117.260 115.700 -0.339 0.000 2.645 244 S HA 0.100 4.570 4.470 0.001 0.000 0.266 244 S C 1.312 175.677 174.600 -0.392 0.000 1.258 244 S CA -0.611 57.294 58.200 -0.493 0.000 0.990 244 S CB 0.071 62.988 63.200 -0.472 0.000 0.967 244 S HN 0.351 nan 8.310 nan 0.000 0.556 245 L N 1.198 122.182 121.223 -0.398 0.000 2.042 245 L HA -0.060 4.281 4.340 0.001 0.000 0.210 245 L C 2.578 179.338 176.870 -0.184 0.000 1.076 245 L CA 2.106 56.800 54.840 -0.244 0.000 0.749 245 L CB -0.937 41.015 42.059 -0.179 0.000 0.893 245 L HN 0.974 nan 8.230 nan 0.000 0.432 246 K N -0.459 119.842 120.400 -0.164 0.000 2.032 246 K HA -0.249 4.071 4.320 0.001 0.000 0.209 246 K C 1.960 178.483 176.600 -0.129 0.000 1.048 246 K CA 2.118 58.337 56.287 -0.113 0.000 0.927 246 K CB -0.186 32.280 32.500 -0.056 0.000 0.712 246 K HN 0.497 nan 8.250 nan 0.000 0.441 247 E N 0.152 120.261 120.200 -0.152 0.000 2.072 247 E HA -0.162 4.188 4.350 0.001 0.000 0.191 247 E C 2.133 178.623 176.600 -0.184 0.000 0.985 247 E CA 1.551 57.857 56.400 -0.156 0.000 0.801 247 E CB -0.043 29.556 29.700 -0.168 0.000 0.750 247 E HN 0.367 nan 8.360 nan 0.000 0.452 248 M N 0.187 119.655 119.600 -0.220 0.000 2.117 248 M HA -0.144 4.336 4.480 0.001 0.000 0.262 248 M C 2.329 178.529 176.300 -0.168 0.000 1.065 248 M CA 1.330 56.513 55.300 -0.195 0.000 1.114 248 M CB -0.353 32.132 32.600 -0.192 0.000 1.361 248 M HN 0.088 nan 8.290 nan 0.000 0.408 249 T N -0.226 114.228 114.554 -0.167 0.000 2.708 249 T HA -0.214 4.136 4.350 0.001 0.000 0.266 249 T C 1.712 176.288 174.700 -0.207 0.000 1.037 249 T CA 1.551 63.544 62.100 -0.178 0.000 1.146 249 T CB -0.270 68.506 68.868 -0.153 0.000 0.865 249 T HN 0.301 nan 8.240 nan 0.000 0.435 250 Q N 1.323 121.020 119.800 -0.172 0.000 2.084 250 Q HA -0.098 4.242 4.340 0.001 0.000 0.202 250 Q C 2.160 178.047 176.000 -0.189 0.000 0.978 250 Q CA 1.739 57.441 55.803 -0.167 0.000 0.844 250 Q CB -0.254 28.418 28.738 -0.111 0.000 0.898 250 Q HN 0.318 nan 8.270 nan 0.000 0.426 251 K N -0.233 120.066 120.400 -0.167 0.000 2.057 251 K HA -0.053 4.267 4.320 0.001 0.000 0.207 251 K C 1.816 178.292 176.600 -0.206 0.000 1.049 251 K CA 1.533 57.726 56.287 -0.157 0.000 0.931 251 K CB -0.722 31.705 32.500 -0.122 0.000 0.714 251 K HN 0.265 nan 8.250 nan 0.000 0.440 252 A N 0.658 123.337 122.820 -0.234 0.000 1.908 252 A HA -0.136 4.185 4.320 0.001 0.000 0.218 252 A C 2.208 179.509 177.584 -0.471 0.000 1.181 252 A CA 1.753 53.609 52.037 -0.301 0.000 0.627 252 A CB -0.765 18.070 19.000 -0.275 0.000 0.818 252 A HN 0.329 nan 8.150 nan 0.000 0.445 253 L N -0.370 120.536 121.223 -0.528 0.000 2.046 253 L HA -0.215 4.126 4.340 0.001 0.000 0.208 253 L C 2.339 178.861 176.870 -0.581 0.000 1.077 253 L CA 1.278 55.642 54.840 -0.794 0.000 0.747 253 L CB -0.719 40.808 42.059 -0.887 0.000 0.896 253 L HN 0.346 nan 8.230 nan 0.000 0.432 254 N N 0.378 118.874 118.700 -0.340 0.000 2.104 254 N HA -0.166 4.574 4.740 0.001 0.000 0.190 254 N C 1.850 177.245 175.510 -0.192 0.000 1.024 254 N CA 1.495 54.431 53.050 -0.190 0.000 0.853 254 N CB -0.261 38.150 38.487 -0.126 0.000 1.008 254 N HN 0.327 nan 8.380 nan 0.000 0.424 255 I N 0.458 120.887 120.570 -0.235 0.000 2.193 255 I HA -0.158 4.012 4.170 0.001 0.000 0.240 255 I C 1.938 177.903 176.117 -0.253 0.000 1.084 255 I CA 0.738 61.919 61.300 -0.199 0.000 1.365 255 I CB -0.228 37.665 38.000 -0.178 0.000 1.064 255 I HN 0.016 nan 8.210 nan 0.000 0.410 256 L N 0.546 121.504 121.223 -0.442 0.000 2.201 256 L HA -0.141 4.199 4.340 0.001 0.000 0.212 256 L C 2.632 179.218 176.870 -0.473 0.000 1.105 256 L CA 1.316 55.820 54.840 -0.560 0.000 0.775 256 L CB -0.674 40.774 42.059 -1.018 0.000 0.913 256 L HN 0.353 nan 8.230 nan 0.000 0.440 257 S N -0.659 114.770 115.700 -0.453 0.000 2.507 257 S HA -0.116 4.355 4.470 0.001 0.000 0.235 257 S C 1.708 176.379 174.600 0.118 0.000 0.988 257 S CA 0.527 58.748 58.200 0.036 0.000 0.944 257 S CB -0.245 63.091 63.200 0.227 0.000 0.762 257 S HN 0.424 nan 8.310 nan 0.000 0.526 258 K N 1.119 121.527 120.400 0.015 0.000 2.366 258 K HA 0.090 4.411 4.320 0.001 0.000 0.198 258 K C 0.474 177.107 176.600 0.054 0.000 1.044 258 K CA 0.390 56.698 56.287 0.035 0.000 0.973 258 K CB -0.072 32.424 32.500 -0.006 0.000 0.767 258 K HN 0.423 nan 8.250 nan 0.000 0.475 259 D N 2.022 122.465 120.400 0.071 0.000 2.383 259 D HA -0.061 4.579 4.640 0.001 0.000 0.252 259 D C 0.868 177.231 176.300 0.105 0.000 1.166 259 D CA 0.144 54.193 54.000 0.081 0.000 0.879 259 D CB 1.044 41.901 40.800 0.095 0.000 1.164 259 D HN 0.282 nan 8.370 nan 0.000 0.462 260 E N 2.549 122.793 120.200 0.073 0.000 2.265 260 E HA -0.206 4.145 4.350 0.001 0.000 0.196 260 E C 0.235 176.880 176.600 0.074 0.000 0.996 260 E CA 0.979 57.420 56.400 0.068 0.000 0.832 260 E CB 0.155 29.882 29.700 0.046 0.000 0.756 260 E HN 0.338 nan 8.360 nan 0.000 0.491 261 D N 0.717 121.165 120.400 0.079 0.000 2.339 261 D HA 0.167 4.807 4.640 0.001 0.000 0.217 261 D C 0.915 177.271 176.300 0.094 0.000 1.050 261 D CA 0.984 55.028 54.000 0.074 0.000 0.856 261 D CB 0.753 41.591 40.800 0.063 0.000 0.922 261 D HN 0.360 nan 8.370 nan 0.000 0.518 262 G N 0.974 109.861 108.800 0.144 0.000 2.698 262 G HA2 -0.060 3.901 3.960 0.001 0.000 0.225 262 G HA3 -0.060 3.901 3.960 0.001 0.000 0.225 262 G C -0.581 174.478 174.900 0.265 0.000 1.345 262 G CA -0.429 44.778 45.100 0.178 0.000 0.871 262 G HN 0.265 nan 8.290 nan 0.000 0.540 263 F N -2.697 117.302 119.950 0.082 0.000 2.645 263 F HA 0.821 5.349 4.527 0.001 0.000 0.310 263 F C -1.027 174.842 175.800 0.117 0.000 1.102 263 F CA -1.866 56.176 58.000 0.070 0.000 0.952 263 F CB 1.548 40.543 39.000 -0.007 0.000 1.326 263 F HN 0.896 nan 8.300 nan 0.000 0.456 264 F N 3.764 123.814 119.950 0.168 0.000 2.458 264 F HA 0.811 5.339 4.527 0.001 0.000 0.336 264 F C -1.854 174.061 175.800 0.190 0.000 1.114 264 F CA -1.251 56.804 58.000 0.092 0.000 0.987 264 F CB 1.740 40.778 39.000 0.062 0.000 1.130 264 F HN 0.703 nan 8.300 nan 0.000 0.458 265 L N 7.906 128.630 121.223 -0.831 0.000 2.410 265 L HA 0.568 4.908 4.340 0.001 0.000 0.270 265 L C -1.808 174.489 176.870 -0.954 0.000 0.983 265 L CA -0.618 53.851 54.840 -0.619 0.000 0.822 265 L CB 1.847 43.804 42.059 -0.170 0.000 1.285 265 L HN 0.724 nan 8.230 nan 0.000 0.409 266 M N 5.801 124.978 119.600 -0.705 0.000 2.227 266 M HA 0.544 5.024 4.480 0.001 0.000 0.335 266 M C -1.811 174.304 176.300 -0.308 0.000 1.053 266 M CA -0.534 54.444 55.300 -0.536 0.000 0.973 266 M CB 1.496 33.665 32.600 -0.719 0.000 1.623 266 M HN 0.422 nan 8.290 nan 0.000 0.434 267 V N 4.940 124.737 119.914 -0.195 0.000 2.448 267 V HA 0.453 4.573 4.120 0.001 0.000 0.295 267 V C -0.300 175.786 176.094 -0.014 0.000 1.025 267 V CA -0.740 61.503 62.300 -0.095 0.000 0.859 267 V CB 1.770 33.559 31.823 -0.058 0.000 0.988 267 V HN 0.824 nan 8.190 nan 0.000 0.431 268 E N 3.196 123.361 120.200 -0.058 0.000 2.176 268 E HA 0.556 4.906 4.350 0.001 0.000 0.267 268 E C 0.077 176.562 176.600 -0.192 0.000 0.893 268 E CA -0.641 55.687 56.400 -0.121 0.000 0.761 268 E CB 1.787 31.403 29.700 -0.140 0.000 1.133 268 E HN 0.835 nan 8.360 nan 0.000 0.409 269 G N 2.677 111.209 108.800 -0.448 0.000 2.639 269 G HA2 0.309 4.269 3.960 0.001 0.000 0.312 269 G HA3 0.309 4.269 3.960 0.001 0.000 0.312 269 G C 0.565 175.133 174.900 -0.553 0.000 0.911 269 G CA -0.135 44.645 45.100 -0.532 0.000 1.410 269 G HN 0.595 nan 8.290 nan 0.000 0.469 270 G N 1.068 109.586 108.800 -0.471 0.000 2.887 270 G HA2 0.003 3.964 3.960 0.001 0.000 0.211 270 G HA3 0.003 3.964 3.960 0.001 0.000 0.211 270 G C 1.198 175.659 174.900 -0.732 0.000 1.152 270 G CA 0.024 44.806 45.100 -0.530 0.000 0.769 270 G HN 0.600 nan 8.290 nan 0.000 0.541 271 Q N -0.322 119.056 119.800 -0.704 0.000 2.319 271 Q HA 0.276 4.617 4.340 0.001 0.000 0.202 271 Q C 2.067 177.887 176.000 -0.299 0.000 0.896 271 Q CA -0.316 55.049 55.803 -0.730 0.000 0.942 271 Q CB 0.296 28.659 28.738 -0.625 0.000 1.083 271 Q HN 0.472 nan 8.270 nan 0.000 0.510 272 I N 1.323 121.731 120.570 -0.270 0.000 2.145 272 I HA -0.353 3.818 4.170 0.001 0.000 0.244 272 I C 2.062 178.125 176.117 -0.088 0.000 1.075 272 I CA 1.837 63.037 61.300 -0.167 0.000 1.332 272 I CB -0.218 37.654 38.000 -0.213 0.000 1.033 272 I HN 0.238 nan 8.210 nan 0.000 0.410 273 D N -0.014 120.334 120.400 -0.086 0.000 2.117 273 D HA -0.227 4.413 4.640 0.001 0.000 0.197 273 D C 1.968 178.471 176.300 0.338 0.000 0.987 273 D CA 1.427 55.478 54.000 0.086 0.000 0.829 273 D CB -0.063 40.835 40.800 0.162 0.000 0.961 273 D HN 0.247 nan 8.370 nan 0.000 0.460 274 W N 1.074 122.405 121.300 0.052 0.000 2.355 274 W HA 0.096 4.756 4.660 0.001 0.000 0.309 274 W C 2.620 179.152 176.519 0.022 0.000 1.206 274 W CA 0.974 58.352 57.345 0.056 0.000 1.284 274 W CB -1.392 28.038 29.460 -0.049 0.000 1.145 274 W HN 0.093 nan 8.180 nan 0.000 0.502 275 A N 0.509 123.447 122.820 0.196 0.000 1.902 275 A HA -0.038 4.282 4.320 0.001 0.000 0.217 275 A C 2.400 179.964 177.584 -0.033 0.000 1.181 275 A CA 2.242 54.305 52.037 0.044 0.000 0.623 275 A CB -1.415 17.578 19.000 -0.011 0.000 0.818 275 A HN 0.282 nan 8.150 nan 0.000 0.443 276 G N -1.405 107.398 108.800 0.006 0.000 2.418 276 G HA2 -0.272 3.689 3.960 0.001 0.000 0.217 276 G HA3 -0.272 3.689 3.960 0.001 0.000 0.217 276 G C 1.521 176.366 174.900 -0.091 0.000 1.158 276 G CA 1.086 46.179 45.100 -0.012 0.000 0.771 276 G HN 0.667 nan 8.290 nan 0.000 0.545 277 H N 0.718 119.810 119.070 0.036 0.000 2.387 277 H HA -0.017 4.539 4.556 0.001 0.000 0.299 277 H C 2.604 177.920 175.328 -0.021 0.000 1.099 277 H CA 1.531 57.598 56.048 0.033 0.000 1.315 277 H CB -0.073 29.690 29.762 0.002 0.000 1.380 277 H HN 0.304 nan 8.280 nan 0.000 0.513 278 S N 0.754 116.493 115.700 0.065 0.000 2.603 278 S HA -0.040 4.430 4.470 0.001 0.000 0.220 278 S C 0.339 174.829 174.600 -0.184 0.000 0.967 278 S CA -0.042 58.180 58.200 0.036 0.000 0.920 278 S CB 0.016 63.286 63.200 0.117 0.000 0.773 278 S HN 0.452 nan 8.310 nan 0.000 0.529 279 N N 2.159 120.484 118.700 -0.625 0.000 2.740 279 N HA -0.154 4.586 4.740 0.001 0.000 0.248 279 N C -1.096 173.822 175.510 -0.987 0.000 1.062 279 N CA 0.759 52.782 53.050 -1.712 0.000 0.704 279 N CB -1.268 36.219 38.487 -1.667 0.000 0.968 279 N HN 0.437 nan 8.380 nan 0.000 0.547 280 D N -0.483 119.538 120.400 -0.631 0.000 2.485 280 D HA 0.579 5.219 4.640 0.001 0.000 0.229 280 D C 0.966 177.112 176.300 -0.256 0.000 1.101 280 D CA -0.038 53.530 54.000 -0.719 0.000 0.906 280 D CB 0.548 40.885 40.800 -0.772 0.000 1.019 280 D HN 0.253 nan 8.370 nan 0.000 0.516 281 A N 2.816 125.650 122.820 0.022 0.000 1.969 281 A HA 0.072 4.393 4.320 0.001 0.000 0.218 281 A C 2.008 179.587 177.584 -0.008 0.000 1.169 281 A CA 1.458 53.535 52.037 0.067 0.000 0.635 281 A CB -0.528 18.548 19.000 0.128 0.000 0.810 281 A HN 0.563 nan 8.150 nan 0.000 0.445 282 G N -0.793 108.008 108.800 0.002 0.000 2.421 282 G HA2 -0.161 3.799 3.960 0.001 0.000 0.216 282 G HA3 -0.161 3.799 3.960 0.001 0.000 0.216 282 G C 1.574 176.522 174.900 0.081 0.000 1.171 282 G CA 1.650 46.803 45.100 0.088 0.000 0.775 282 G HN 0.417 nan 8.290 nan 0.000 0.543 283 T N 0.826 115.354 114.554 -0.042 0.000 2.821 283 T HA -0.087 4.263 4.350 0.001 0.000 0.267 283 T C 2.282 176.993 174.700 0.018 0.000 1.046 283 T CA 1.293 63.379 62.100 -0.023 0.000 1.139 283 T CB -0.176 68.653 68.868 -0.064 0.000 0.871 283 T HN 0.220 nan 8.240 nan 0.000 0.454 284 M N 0.592 120.172 119.600 -0.034 0.000 2.108 284 M HA -0.077 4.403 4.480 0.001 0.000 0.261 284 M C 2.123 178.402 176.300 -0.036 0.000 1.066 284 M CA 1.406 56.673 55.300 -0.055 0.000 1.107 284 M CB -0.239 32.292 32.600 -0.114 0.000 1.356 284 M HN 0.223 nan 8.290 nan 0.000 0.406 285 L N 0.012 121.225 121.223 -0.017 0.000 2.012 285 L HA -0.271 4.069 4.340 0.001 0.000 0.210 285 L C 2.292 179.149 176.870 -0.022 0.000 1.073 285 L CA 2.051 56.875 54.840 -0.026 0.000 0.748 285 L CB -1.130 40.910 42.059 -0.033 0.000 0.891 285 L HN 0.391 nan 8.230 nan 0.000 0.431 286 H N -0.654 118.398 119.070 -0.029 0.000 2.421 286 H HA -0.081 4.475 4.556 0.001 0.000 0.298 286 H C 1.949 177.299 175.328 0.036 0.000 1.087 286 H CA 1.380 57.430 56.048 0.004 0.000 1.330 286 H CB 0.300 30.044 29.762 -0.031 0.000 1.388 286 H HN 0.470 nan 8.280 nan 0.000 0.526 287 E N 0.892 121.159 120.200 0.110 0.000 2.106 287 E HA -0.087 4.263 4.350 0.001 0.000 0.192 287 E C 2.564 179.201 176.600 0.061 0.000 0.984 287 E CA 0.252 56.678 56.400 0.044 0.000 0.806 287 E CB -0.256 29.421 29.700 -0.038 0.000 0.750 287 E HN 0.447 nan 8.360 nan 0.000 0.458 288 L N 0.468 121.726 121.223 0.058 0.000 2.083 288 L HA -0.158 4.182 4.340 0.001 0.000 0.209 288 L C 2.558 179.516 176.870 0.145 0.000 1.083 288 L CA 0.785 55.691 54.840 0.109 0.000 0.752 288 L CB -0.432 41.670 42.059 0.071 0.000 0.899 288 L HN 0.083 nan 8.230 nan 0.000 0.433 289 L N -0.263 121.022 121.223 0.105 0.000 2.046 289 L HA -0.233 4.107 4.340 0.001 0.000 0.208 289 L C 2.724 179.682 176.870 0.145 0.000 1.077 289 L CA 1.314 56.225 54.840 0.119 0.000 0.747 289 L CB -0.584 41.495 42.059 0.032 0.000 0.896 289 L HN 0.265 nan 8.230 nan 0.000 0.432 290 K N 0.023 120.529 120.400 0.177 0.000 2.063 290 K HA -0.253 4.067 4.320 0.001 0.000 0.208 290 K C 2.264 178.956 176.600 0.154 0.000 1.048 290 K CA 1.729 58.130 56.287 0.189 0.000 0.928 290 K CB -0.199 32.388 32.500 0.143 0.000 0.713 290 K HN 0.092 nan 8.250 nan 0.000 0.442 291 F N 2.338 122.277 119.950 -0.020 0.000 2.146 291 F HA -0.132 4.395 4.527 0.001 0.000 0.298 291 F C 1.840 177.623 175.800 -0.027 0.000 1.096 291 F CA 1.756 59.728 58.000 -0.047 0.000 1.275 291 F CB -0.654 38.312 39.000 -0.056 0.000 1.008 291 F HN 0.159 nan 8.300 nan 0.000 0.480 292 D N -0.110 120.286 120.400 -0.006 0.000 2.178 292 D HA -0.172 4.468 4.640 0.001 0.000 0.201 292 D C 2.055 178.310 176.300 -0.075 0.000 0.980 292 D CA 1.363 55.304 54.000 -0.098 0.000 0.842 292 D CB -0.082 40.755 40.800 0.062 0.000 0.948 292 D HN 0.449 nan 8.370 nan 0.000 0.472 293 E N -0.192 120.001 120.200 -0.010 0.000 2.058 293 E HA -0.206 4.144 4.350 0.001 0.000 0.194 293 E C 2.100 178.661 176.600 -0.064 0.000 0.997 293 E CA 1.076 57.468 56.400 -0.014 0.000 0.801 293 E CB -0.163 29.561 29.700 0.040 0.000 0.746 293 E HN 0.352 nan 8.360 nan 0.000 0.450 294 A N 1.050 123.809 122.820 -0.101 0.000 1.930 294 A HA -0.144 4.176 4.320 0.001 0.000 0.217 294 A C 2.153 179.618 177.584 -0.198 0.000 1.175 294 A CA 0.940 52.896 52.037 -0.135 0.000 0.627 294 A CB -0.524 18.414 19.000 -0.102 0.000 0.815 294 A HN 0.136 nan 8.150 nan 0.000 0.443 295 I N -0.863 119.517 120.570 -0.316 0.000 2.226 295 I HA -0.283 3.887 4.170 0.001 0.000 0.245 295 I C 2.727 178.757 176.117 -0.145 0.000 1.100 295 I CA 1.739 62.855 61.300 -0.307 0.000 1.374 295 I CB -0.321 37.416 38.000 -0.438 0.000 1.057 295 I HN 0.376 nan 8.210 nan 0.000 0.413 296 Q N 0.836 120.575 119.800 -0.102 0.000 2.096 296 Q HA -0.187 4.154 4.340 0.001 0.000 0.204 296 Q C 2.147 178.166 176.000 0.032 0.000 0.982 296 Q CA 2.429 58.225 55.803 -0.012 0.000 0.850 296 Q CB -0.399 28.335 28.738 -0.007 0.000 0.901 296 Q HN 0.377 nan 8.270 nan 0.000 0.422 297 T N -0.467 114.077 114.554 -0.017 0.000 2.684 297 T HA -0.131 4.219 4.350 0.001 0.000 0.267 297 T C 1.733 176.440 174.700 0.012 0.000 1.036 297 T CA 1.515 63.609 62.100 -0.010 0.000 1.148 297 T CB -0.375 68.461 68.868 -0.053 0.000 0.863 297 T HN 0.114 nan 8.240 nan 0.000 0.436 298 V N 0.399 120.297 119.914 -0.026 0.000 2.295 298 V HA -0.158 3.962 4.120 0.001 0.000 0.246 298 V C 1.996 178.098 176.094 0.013 0.000 1.049 298 V CA 1.699 63.998 62.300 -0.002 0.000 1.024 298 V CB -0.710 31.073 31.823 -0.067 0.000 0.648 298 V HN 0.538 nan 8.190 nan 0.000 0.447 299 Y N 1.310 121.507 120.300 -0.172 0.000 2.145 299 Y HA -0.220 4.330 4.550 0.001 0.000 0.286 299 Y C 2.611 178.400 175.900 -0.185 0.000 1.145 299 Y CA 1.990 59.919 58.100 -0.285 0.000 1.148 299 Y CB -0.137 38.157 38.460 -0.275 0.000 0.981 299 Y HN 0.236 nan 8.280 nan 0.000 0.507 300 E N -0.588 119.555 120.200 -0.095 0.000 2.110 300 E HA -0.264 4.086 4.350 0.001 0.000 0.193 300 E C 1.907 178.423 176.600 -0.139 0.000 0.988 300 E CA 1.456 57.774 56.400 -0.137 0.000 0.804 300 E CB -0.996 28.717 29.700 0.022 0.000 0.745 300 E HN 0.777 nan 8.360 nan 0.000 0.458 301 W N 1.376 122.557 121.300 -0.199 0.000 2.381 301 W HA -0.088 4.572 4.660 0.001 0.000 0.301 301 W C 2.237 178.650 176.519 -0.177 0.000 1.205 301 W CA 2.249 59.506 57.345 -0.146 0.000 1.285 301 W CB -0.154 29.250 29.460 -0.093 0.000 1.133 301 W HN 0.023 nan 8.180 nan 0.000 0.521 302 A N 0.906 123.597 122.820 -0.214 0.000 2.081 302 A HA -0.059 4.261 4.320 0.001 0.000 0.214 302 A C 1.943 179.251 177.584 -0.461 0.000 1.158 302 A CA 1.240 53.026 52.037 -0.418 0.000 0.724 302 A CB -0.758 18.077 19.000 -0.276 0.000 0.826 302 A HN 0.473 nan 8.150 nan 0.000 0.463 303 K N -0.274 119.766 120.400 -0.601 0.000 2.160 303 K HA -0.175 4.146 4.320 0.001 0.000 0.206 303 K C 0.132 176.710 176.600 -0.037 0.000 1.047 303 K CA 1.754 57.748 56.287 -0.488 0.000 0.930 303 K CB -0.265 31.731 32.500 -0.840 0.000 0.720 303 K HN 0.219 nan 8.250 nan 0.000 0.450 304 D N 0.557 120.882 120.400 -0.125 0.000 2.369 304 D HA 0.077 4.718 4.640 0.001 0.000 0.211 304 D C 0.026 176.294 176.300 -0.054 0.000 1.077 304 D CA 0.071 54.033 54.000 -0.063 0.000 0.842 304 D CB 0.318 41.055 40.800 -0.105 0.000 0.947 304 D HN 0.210 nan 8.370 nan 0.000 0.509 305 R N 0.571 121.045 120.500 -0.042 0.000 2.500 305 R HA 0.331 4.671 4.340 0.001 0.000 0.275 305 R C 0.636 176.952 176.300 0.027 0.000 1.051 305 R CA -0.099 55.970 56.100 -0.053 0.000 1.088 305 R CB 1.081 31.294 30.300 -0.145 0.000 1.063 305 R HN 0.004 nan 8.270 nan 0.000 0.511 306 E N 0.670 120.858 120.200 -0.020 0.000 2.583 306 E HA -0.023 4.327 4.350 0.001 0.000 0.213 306 E C -0.423 176.160 176.600 -0.028 0.000 0.989 306 E CA 0.090 56.464 56.400 -0.042 0.000 0.991 306 E CB 0.564 30.233 29.700 -0.051 0.000 1.040 306 E HN 0.560 nan 8.360 nan 0.000 0.481 307 D N -0.005 120.395 120.400 -0.001 0.000 2.501 307 D HA 0.045 4.686 4.640 0.001 0.000 0.224 307 D C -0.106 176.214 176.300 0.035 0.000 1.202 307 D CA -0.171 53.833 54.000 0.007 0.000 0.829 307 D CB 0.393 41.196 40.800 0.004 0.000 1.023 307 D HN -0.266 nan 8.370 nan 0.000 0.499 308 T N 0.678 115.287 114.554 0.090 0.000 2.881 308 T HA 0.509 4.860 4.350 0.001 0.000 0.290 308 T C -0.287 174.556 174.700 0.238 0.000 1.000 308 T CA -0.499 61.698 62.100 0.162 0.000 0.978 308 T CB 1.815 70.835 68.868 0.254 0.000 0.997 308 T HN 0.020 nan 8.240 nan 0.000 0.443 309 I N 2.859 123.541 120.570 0.187 0.000 2.404 309 I HA 0.526 4.696 4.170 0.001 0.000 0.293 309 I C -0.606 175.668 176.117 0.262 0.000 0.992 309 I CA -0.975 60.472 61.300 0.244 0.000 1.149 309 I CB 1.774 39.879 38.000 0.175 0.000 1.315 309 I HN 0.262 nan 8.210 nan 0.000 0.446 310 V N 7.046 127.176 119.914 0.359 0.000 2.448 310 V HA 0.460 4.580 4.120 0.001 0.000 0.295 310 V C -0.155 176.090 176.094 0.252 0.000 1.025 310 V CA -0.614 61.833 62.300 0.246 0.000 0.859 310 V CB 1.960 33.890 31.823 0.178 0.000 0.988 310 V HN 0.393 nan 8.190 nan 0.000 0.431 311 I N 5.255 125.940 120.570 0.192 0.000 2.406 311 I HA 0.480 4.650 4.170 0.001 0.000 0.290 311 I C -0.287 175.934 176.117 0.173 0.000 0.999 311 I CA -0.588 60.828 61.300 0.195 0.000 1.124 311 I CB 1.897 40.010 38.000 0.188 0.000 1.289 311 I HN 0.263 nan 8.210 nan 0.000 0.441 312 V N 5.818 125.868 119.914 0.227 0.000 2.384 312 V HA 0.678 4.798 4.120 0.001 0.000 0.287 312 V C 0.199 176.498 176.094 0.341 0.000 1.020 312 V CA -0.172 62.286 62.300 0.263 0.000 0.850 312 V CB 1.799 33.743 31.823 0.200 0.000 0.987 312 V HN 0.950 nan 8.190 nan 0.000 0.436 313 T N 2.884 117.599 114.554 0.268 0.000 2.626 313 T HA 0.864 5.214 4.350 0.001 0.000 0.299 313 T C -1.276 173.521 174.700 0.162 0.000 1.181 313 T CA 0.294 62.513 62.100 0.199 0.000 1.053 313 T CB 1.922 70.848 68.868 0.097 0.000 1.566 313 T HN 1.026 nan 8.240 nan 0.000 0.486 314 A N 0.445 123.330 122.820 0.109 0.000 2.479 314 A HA 0.659 4.979 4.320 0.001 0.000 0.296 314 A C 0.321 177.955 177.584 0.083 0.000 1.121 314 A CA -0.042 52.001 52.037 0.009 0.000 0.743 314 A CB 1.319 20.284 19.000 -0.058 0.000 1.323 314 A HN 0.859 nan 8.150 nan 0.000 0.415 315 D N -0.450 119.911 120.400 -0.064 0.000 2.289 315 D HA 0.158 4.798 4.640 0.001 0.000 0.207 315 D C 0.428 176.732 176.300 0.007 0.000 0.966 315 D CA 1.732 55.771 54.000 0.065 0.000 0.868 315 D CB -0.256 40.593 40.800 0.081 0.000 0.943 315 D HN 0.878 nan 8.370 nan 0.000 0.514 316 H N -3.846 115.178 119.070 -0.076 0.000 2.866 316 H HA 0.373 4.930 4.556 0.001 0.000 0.259 316 H C -1.364 173.873 175.328 -0.151 0.000 1.442 316 H CA -1.043 54.922 56.048 -0.139 0.000 1.156 316 H CB 0.312 29.980 29.762 -0.156 0.000 1.785 316 H HN -0.139 nan 8.280 nan 0.000 0.456 317 E N 0.348 120.560 120.200 0.021 0.000 2.248 317 E HA 0.476 4.826 4.350 0.001 0.000 0.272 317 E C -0.881 175.802 176.600 0.137 0.000 1.008 317 E CA -0.598 55.808 56.400 0.011 0.000 0.856 317 E CB 1.692 31.395 29.700 0.005 0.000 1.120 317 E HN 0.628 nan 8.360 nan 0.000 0.397 318 T N 1.390 115.983 114.554 0.065 0.000 2.840 318 T HA 0.536 4.886 4.350 0.001 0.000 0.287 318 T C 0.449 175.242 174.700 0.155 0.000 0.991 318 T CA 0.089 62.229 62.100 0.067 0.000 0.964 318 T CB 1.285 70.114 68.868 -0.065 0.000 0.954 318 T HN 0.635 nan 8.240 nan 0.000 0.438 319 G N 1.998 110.901 108.800 0.172 0.000 2.213 319 G HA2 -0.255 3.706 3.960 0.001 0.000 0.226 319 G HA3 -0.255 3.706 3.960 0.001 0.000 0.226 319 G C 0.470 175.574 174.900 0.340 0.000 0.992 319 G CA 0.159 45.465 45.100 0.344 0.000 0.632 319 G HN 1.345 nan 8.290 nan 0.000 0.511 320 S N -0.978 114.828 115.700 0.178 0.000 3.550 320 S HA -0.239 4.232 4.470 0.001 0.000 0.372 320 S C 0.303 174.919 174.600 0.028 0.000 0.966 320 S CA 0.891 59.130 58.200 0.065 0.000 1.229 320 S CB -1.497 61.685 63.200 -0.030 0.000 0.917 320 S HN 1.921 nan 8.310 nan 0.000 0.496 321 F N 1.400 121.267 119.950 -0.138 0.000 2.538 321 F HA 0.536 5.064 4.527 0.001 0.000 0.371 321 F C 0.753 176.286 175.800 -0.446 0.000 1.087 321 F CA 0.539 58.218 58.000 -0.535 0.000 1.250 321 F CB 0.476 39.147 39.000 -0.547 0.000 1.110 321 F HN 0.258 nan 8.300 nan 0.000 0.570 322 G N 5.462 113.397 108.800 -1.441 0.000 2.746 322 G HA2 0.463 4.424 3.960 0.001 0.000 0.297 322 G HA3 0.463 4.424 3.960 0.001 0.000 0.297 322 G C -1.875 172.324 174.900 -1.168 0.000 1.426 322 G CA -0.820 43.546 45.100 -1.222 0.000 0.989 322 G HN 0.505 nan 8.290 nan 0.000 0.520 323 F N 1.149 120.617 119.950 -0.805 0.000 2.471 323 F HA 0.634 5.162 4.527 0.001 0.000 0.353 323 F C 1.079 176.728 175.800 -0.251 0.000 1.113 323 F CA 0.436 58.212 58.000 -0.375 0.000 1.262 323 F CB 1.927 40.833 39.000 -0.157 0.000 1.146 323 F HN 0.421 nan 8.300 nan 0.000 0.578 324 S N 2.001 117.721 115.700 0.032 0.000 2.607 324 S HA 0.582 5.053 4.470 0.001 0.000 0.273 324 S C -1.488 173.133 174.600 0.034 0.000 1.148 324 S CA -0.760 57.416 58.200 -0.039 0.000 0.833 324 S CB 0.728 63.823 63.200 -0.175 0.000 1.130 324 S HN 0.435 nan 8.310 nan 0.000 0.470 325 Y N 1.415 121.674 120.300 -0.067 0.000 2.320 325 Y HA 0.794 5.345 4.550 0.001 0.000 0.324 325 Y C 0.061 175.838 175.900 -0.206 0.000 1.190 325 Y CA -0.601 57.395 58.100 -0.173 0.000 1.215 325 Y CB 0.817 39.058 38.460 -0.366 0.000 1.221 325 Y HN 0.611 nan 8.280 nan 0.000 0.486 326 S N 0.636 116.379 115.700 0.072 0.000 2.709 326 S HA 0.479 4.950 4.470 0.001 0.000 0.302 326 S C 0.191 174.906 174.600 0.191 0.000 1.127 326 S CA -0.298 57.942 58.200 0.067 0.000 0.905 326 S CB 1.189 64.419 63.200 0.049 0.000 1.151 326 S HN 1.030 nan 8.310 nan 0.000 0.510 327 S N -0.048 115.754 115.700 0.170 0.000 2.575 327 S HA 0.173 4.643 4.470 0.001 0.000 0.215 327 S C 0.435 175.081 174.600 0.078 0.000 0.966 327 S CA -0.474 57.838 58.200 0.186 0.000 0.911 327 S CB -0.744 62.554 63.200 0.164 0.000 0.780 327 S HN 0.726 nan 8.310 nan 0.000 0.514 328 N N 1.958 120.696 118.700 0.064 0.000 2.456 328 N HA 0.122 4.862 4.740 0.001 0.000 0.288 328 N C -1.129 174.400 175.510 0.032 0.000 1.059 328 N CA 0.112 53.188 53.050 0.043 0.000 0.946 328 N CB 0.860 39.378 38.487 0.053 0.000 1.150 328 N HN 0.093 nan 8.380 nan 0.000 0.479 329 D N 2.100 122.511 120.400 0.019 0.000 2.746 329 D HA -0.176 4.465 4.640 0.001 0.000 0.241 329 D C -0.852 175.446 176.300 -0.003 0.000 1.140 329 D CA 0.263 54.271 54.000 0.014 0.000 0.707 329 D CB -0.886 39.935 40.800 0.035 0.000 1.034 329 D HN 0.366 nan 8.370 nan 0.000 0.423 330 L N 1.338 122.543 121.223 -0.031 0.000 2.483 330 L HA 0.330 4.671 4.340 0.001 0.000 0.276 330 L C -1.061 175.776 176.870 -0.054 0.000 1.213 330 L CA -0.661 54.143 54.840 -0.061 0.000 0.843 330 L CB -0.173 41.821 42.059 -0.109 0.000 1.107 330 L HN 0.207 nan 8.230 nan 0.000 0.487 331 P HA 0.106 nan 4.420 nan 0.000 0.272 331 P C -0.889 176.364 177.300 -0.078 0.000 1.223 331 P CA -0.567 62.501 63.100 -0.055 0.000 0.784 331 P CB 0.522 32.190 31.700 -0.054 0.000 0.923 332 K N 2.319 122.685 120.400 -0.057 0.000 2.295 332 K HA 0.273 4.594 4.320 0.001 0.000 0.270 332 K C -2.040 174.511 176.600 -0.081 0.000 1.011 332 K CA -1.520 54.732 56.287 -0.059 0.000 0.953 332 K CB -0.753 31.726 32.500 -0.035 0.000 0.956 332 K HN 0.366 nan 8.250 nan 0.000 0.477 333 P HA 0.052 nan 4.420 nan 0.000 0.267 333 P C -0.787 176.476 177.300 -0.062 0.000 1.200 333 P CA 0.129 63.168 63.100 -0.100 0.000 0.772 333 P CB 0.509 32.163 31.700 -0.077 0.000 0.855 334 Q N 1.449 121.217 119.800 -0.054 0.000 2.340 334 Q HA 0.300 4.641 4.340 0.001 0.000 0.268 334 Q C -0.499 175.458 176.000 -0.071 0.000 1.031 334 Q CA -0.913 54.871 55.803 -0.033 0.000 0.804 334 Q CB 2.300 31.048 28.738 0.017 0.000 1.286 334 Q HN 0.293 nan 8.270 nan 0.000 0.448 335 K N 2.925 123.294 120.400 -0.051 0.000 2.368 335 K HA 0.317 4.637 4.320 0.001 0.000 0.282 335 K C -0.177 176.382 176.600 -0.069 0.000 1.035 335 K CA 0.125 56.386 56.287 -0.044 0.000 0.973 335 K CB 0.824 33.317 32.500 -0.012 0.000 0.957 335 K HN 0.386 nan 8.250 nan 0.000 0.474 336 R N 0.121 120.580 120.500 -0.068 0.000 2.888 336 R HA 0.155 4.495 4.340 0.001 0.000 0.264 336 R C 0.942 177.286 176.300 0.075 0.000 1.045 336 R CA -0.502 55.569 56.100 -0.048 0.000 0.962 336 R CB 1.613 31.788 30.300 -0.207 0.000 1.210 336 R HN 0.749 nan 8.270 nan 0.000 0.479 337 S N -0.909 114.834 115.700 0.071 0.000 2.501 337 S HA 0.079 4.550 4.470 0.001 0.000 0.220 337 S C 0.909 175.556 174.600 0.078 0.000 0.997 337 S CA 0.058 58.295 58.200 0.062 0.000 0.919 337 S CB 0.330 63.549 63.200 0.031 0.000 0.778 337 S HN 0.667 nan 8.310 nan 0.000 0.523 338 G N 0.761 109.636 108.800 0.124 0.000 2.502 338 G HA2 0.411 4.372 3.960 0.001 0.000 0.305 338 G HA3 0.411 4.372 3.960 0.001 0.000 0.305 338 G C 0.283 175.209 174.900 0.043 0.000 1.190 338 G CA -0.377 44.766 45.100 0.072 0.000 0.933 338 G HN 0.291 nan 8.290 nan 0.000 0.503 339 E N 0.009 120.202 120.200 -0.013 0.000 2.086 339 E HA -0.245 4.105 4.350 0.001 0.000 0.200 339 E C 2.492 179.042 176.600 -0.083 0.000 1.012 339 E CA 1.770 58.148 56.400 -0.037 0.000 0.812 339 E CB -0.206 29.465 29.700 -0.048 0.000 0.743 339 E HN 0.475 nan 8.360 nan 0.000 0.453 340 A N -0.284 122.415 122.820 -0.201 0.000 2.067 340 A HA -0.090 4.231 4.320 0.001 0.000 0.219 340 A C 1.387 178.738 177.584 -0.387 0.000 1.158 340 A CA 0.879 52.699 52.037 -0.361 0.000 0.661 340 A CB -0.385 18.270 19.000 -0.575 0.000 0.801 340 A HN 0.348 nan 8.150 nan 0.000 0.452 341 F N -0.816 119.139 119.950 0.009 0.000 2.641 341 F HA 0.400 4.927 4.527 0.001 0.000 0.302 341 F C 2.123 177.933 175.800 0.015 0.000 1.098 341 F CA -0.334 57.678 58.000 0.021 0.000 1.318 341 F CB -0.406 38.611 39.000 0.028 0.000 1.035 341 F HN 0.217 nan 8.300 nan 0.000 0.551 342 A N -0.234 122.657 122.820 0.118 0.000 1.940 342 A HA -0.156 4.164 4.320 0.001 0.000 0.219 342 A C 1.598 179.226 177.584 0.074 0.000 1.176 342 A CA 2.060 54.144 52.037 0.080 0.000 0.631 342 A CB -0.310 18.712 19.000 0.037 0.000 0.814 342 A HN 0.232 nan 8.150 nan 0.000 0.446 343 D N -2.086 118.357 120.400 0.072 0.000 2.513 343 D HA 0.196 4.837 4.640 0.001 0.000 0.222 343 D C 0.199 176.544 176.300 0.076 0.000 1.210 343 D CA 0.087 54.122 54.000 0.058 0.000 0.825 343 D CB 0.431 41.251 40.800 0.034 0.000 1.037 343 D HN 0.398 nan 8.370 nan 0.000 0.506 344 R N 1.299 121.877 120.500 0.129 0.000 2.542 344 R HA 0.120 4.460 4.340 0.001 0.000 0.284 344 R C -1.552 174.895 176.300 0.245 0.000 1.167 344 R CA -0.496 55.696 56.100 0.153 0.000 1.000 344 R CB 1.416 31.804 30.300 0.145 0.000 1.229 344 R HN -0.264 nan 8.270 nan 0.000 0.416 345 D N 2.114 122.592 120.400 0.130 0.000 2.368 345 D HA -0.037 4.604 4.640 0.001 0.000 0.240 345 D C -0.589 175.729 176.300 0.030 0.000 1.169 345 D CA 0.386 54.418 54.000 0.053 0.000 0.906 345 D CB 0.452 41.248 40.800 -0.006 0.000 1.187 345 D HN 0.338 nan 8.370 nan 0.000 0.435 346 Y N 0.572 120.644 120.300 -0.380 0.000 2.436 346 Y HA 0.376 4.926 4.550 0.001 0.000 0.343 346 Y C -0.603 175.190 175.900 -0.178 0.000 1.008 346 Y CA -0.911 56.929 58.100 -0.433 0.000 1.241 346 Y CB 0.299 38.252 38.460 -0.844 0.000 1.153 346 Y HN 0.275 nan 8.280 nan 0.000 0.521 347 A N 8.105 130.614 122.820 -0.519 0.000 3.005 347 A HA 0.450 4.770 4.320 0.001 0.000 0.308 347 A C -2.795 174.568 177.584 -0.369 0.000 1.173 347 A CA -1.292 50.493 52.037 -0.421 0.000 0.796 347 A CB -0.220 18.663 19.000 -0.197 0.000 1.325 347 A HN 0.624 nan 8.150 nan 0.000 0.467 348 P HA 0.117 nan 4.420 nan 0.000 0.266 348 P C 0.687 177.903 177.300 -0.140 0.000 1.195 348 P CA 0.200 63.197 63.100 -0.172 0.000 0.768 348 P CB 0.458 32.141 31.700 -0.028 0.000 0.838 349 N N 0.306 118.931 118.700 -0.125 0.000 2.494 349 N HA 0.035 4.775 4.740 0.001 0.000 0.182 349 N C -0.239 174.733 175.510 -0.896 0.000 1.076 349 N CA 0.325 53.094 53.050 -0.468 0.000 0.908 349 N CB -0.030 38.145 38.487 -0.520 0.000 0.967 349 N HN 0.305 nan 8.380 nan 0.000 0.449 350 F N -0.859 118.922 119.950 -0.281 0.000 2.650 350 F HA 0.288 4.816 4.527 0.001 0.000 0.320 350 F C -0.113 175.370 175.800 -0.527 0.000 1.091 350 F CA -1.321 56.374 58.000 -0.508 0.000 0.962 350 F CB 0.719 39.189 39.000 -0.884 0.000 1.363 350 F HN -0.257 nan 8.300 nan 0.000 0.482 351 N N 1.136 119.742 118.700 -0.156 0.000 2.469 351 N HA 0.167 4.907 4.740 0.001 0.000 0.239 351 N C -0.326 175.112 175.510 -0.120 0.000 1.053 351 N CA -0.018 52.981 53.050 -0.085 0.000 0.937 351 N CB -0.018 38.474 38.487 0.009 0.000 1.163 351 N HN 0.443 nan 8.380 nan 0.000 0.509 352 F N 1.679 121.673 119.950 0.073 0.000 2.797 352 F HA 0.308 4.836 4.527 0.001 0.000 0.302 352 F C 1.592 177.408 175.800 0.026 0.000 1.130 352 F CA 0.348 58.385 58.000 0.062 0.000 1.387 352 F CB -0.201 38.789 39.000 -0.016 0.000 1.107 352 F HN 0.611 nan 8.300 nan 0.000 0.577 353 G N 1.000 109.879 108.800 0.133 0.000 3.391 353 G HA2 0.170 4.131 3.960 0.001 0.000 0.683 353 G HA3 0.170 4.131 3.960 0.001 0.000 0.683 353 G C -0.261 174.626 174.900 -0.021 0.000 1.071 353 G CA -0.827 44.319 45.100 0.078 0.000 0.904 353 G HN 0.523 nan 8.290 nan 0.000 0.452 354 A N 2.841 125.663 122.820 0.004 0.000 2.407 354 A HA 0.734 5.055 4.320 0.001 0.000 0.248 354 A C 1.164 178.771 177.584 0.037 0.000 1.082 354 A CA 0.046 52.045 52.037 -0.063 0.000 0.785 354 A CB 0.140 19.150 19.000 0.017 0.000 1.020 354 A HN 1.090 nan 8.150 nan 0.000 0.489 355 F N 0.443 120.408 119.950 0.024 0.000 2.333 355 F HA -0.109 4.418 4.527 0.001 0.000 0.300 355 F C 1.744 177.579 175.800 0.058 0.000 1.083 355 F CA 1.223 59.226 58.000 0.006 0.000 1.395 355 F CB -0.633 38.353 39.000 -0.023 0.000 1.056 355 F HN 0.602 nan 8.300 nan 0.000 0.529 356 D N 0.465 121.011 120.400 0.243 0.000 2.190 356 D HA -0.200 4.441 4.640 0.001 0.000 0.200 356 D C 2.454 178.913 176.300 0.266 0.000 0.992 356 D CA 1.090 55.212 54.000 0.203 0.000 0.854 356 D CB -0.394 40.494 40.800 0.147 0.000 0.936 356 D HN 0.268 nan 8.370 nan 0.000 0.462 357 I N 0.445 121.209 120.570 0.323 0.000 2.248 357 I HA -0.283 3.887 4.170 0.001 0.000 0.248 357 I C 2.298 178.723 176.117 0.514 0.000 1.107 357 I CA 0.707 62.297 61.300 0.484 0.000 1.373 357 I CB -0.163 38.095 38.000 0.429 0.000 1.055 357 I HN 0.022 nan 8.210 nan 0.000 0.418 358 L N -0.051 121.414 121.223 0.402 0.000 2.046 358 L HA -0.226 4.115 4.340 0.001 0.000 0.208 358 L C 2.146 179.328 176.870 0.520 0.000 1.077 358 L CA 1.226 56.342 54.840 0.460 0.000 0.747 358 L CB -0.715 41.535 42.059 0.318 0.000 0.896 358 L HN 0.218 nan 8.230 nan 0.000 0.432 359 D N 0.237 120.867 120.400 0.384 0.000 2.117 359 D HA -0.132 4.508 4.640 0.001 0.000 0.197 359 D C 2.172 178.685 176.300 0.355 0.000 0.987 359 D CA 1.503 55.721 54.000 0.364 0.000 0.829 359 D CB -0.391 40.542 40.800 0.222 0.000 0.961 359 D HN 0.328 nan 8.370 nan 0.000 0.460 360 G N 0.900 109.887 108.800 0.311 0.000 2.446 360 G HA2 -0.228 3.733 3.960 0.001 0.000 0.217 360 G HA3 -0.228 3.733 3.960 0.001 0.000 0.217 360 G C 1.808 176.948 174.900 0.401 0.000 1.168 360 G CA 0.497 45.715 45.100 0.197 0.000 0.771 360 G HN 0.257 nan 8.290 nan 0.000 0.551 361 L N -1.104 120.469 121.223 0.583 0.000 2.012 361 L HA -0.111 4.230 4.340 0.001 0.000 0.210 361 L C 2.599 179.677 176.870 0.347 0.000 1.073 361 L CA 1.503 56.633 54.840 0.484 0.000 0.748 361 L CB -0.592 41.718 42.059 0.418 0.000 0.891 361 L HN 0.290 nan 8.230 nan 0.000 0.431 362 Y N 1.298 121.723 120.300 0.207 0.000 2.207 362 Y HA -0.227 4.323 4.550 0.001 0.000 0.287 362 Y C 2.193 178.261 175.900 0.280 0.000 1.156 362 Y CA 1.529 59.703 58.100 0.123 0.000 1.182 362 Y CB -0.212 38.257 38.460 0.014 0.000 0.979 362 Y HN 0.235 nan 8.280 nan 0.000 0.521 363 N N 0.899 119.718 118.700 0.199 0.000 2.521 363 N HA -0.073 4.668 4.740 0.001 0.000 0.188 363 N C 0.045 175.572 175.510 0.028 0.000 1.146 363 N CA 0.328 53.429 53.050 0.085 0.000 0.893 363 N CB -0.329 38.237 38.487 0.131 0.000 0.975 363 N HN 0.535 nan 8.380 nan 0.000 0.451 364 Q N 1.088 120.924 119.800 0.060 0.000 2.286 364 Q HA -0.025 4.315 4.340 0.001 0.000 0.290 364 Q C 0.496 176.452 176.000 -0.073 0.000 1.049 364 Q CA 0.546 56.373 55.803 0.039 0.000 0.923 364 Q CB 0.627 29.417 28.738 0.086 0.000 1.183 364 Q HN 0.119 nan 8.270 nan 0.000 0.383 365 K N 2.387 122.767 120.400 -0.034 0.000 2.356 365 K HA 0.030 4.350 4.320 0.001 0.000 0.195 365 K C 0.277 176.840 176.600 -0.062 0.000 1.037 365 K CA 0.384 56.635 56.287 -0.061 0.000 1.014 365 K CB 0.539 33.027 32.500 -0.020 0.000 0.815 365 K HN 0.561 nan 8.250 nan 0.000 0.507 366 Q N 0.662 120.447 119.800 -0.026 0.000 2.391 366 Q HA 0.133 4.474 4.340 0.001 0.000 0.279 366 Q C -1.178 174.850 176.000 0.047 0.000 1.028 366 Q CA -0.566 55.241 55.803 0.006 0.000 0.836 366 Q CB 2.012 30.775 28.738 0.041 0.000 1.414 366 Q HN 0.131 nan 8.270 nan 0.000 0.397 367 S N 1.724 117.462 115.700 0.063 0.000 2.584 367 S HA 0.083 4.553 4.470 0.001 0.000 0.270 367 S C 0.812 175.562 174.600 0.251 0.000 1.346 367 S CA -0.301 57.968 58.200 0.115 0.000 1.018 367 S CB 0.277 63.556 63.200 0.132 0.000 0.899 367 S HN 0.636 nan 8.310 nan 0.000 0.542 368 Y N 0.756 121.101 120.300 0.075 0.000 2.151 368 Y HA -0.184 4.367 4.550 0.001 0.000 0.284 368 Y C 2.240 178.184 175.900 0.072 0.000 1.166 368 Y CA 1.506 59.640 58.100 0.057 0.000 1.163 368 Y CB -1.524 36.963 38.460 0.046 0.000 0.974 368 Y HN 0.934 nan 8.280 nan 0.000 0.511 369 Y N 0.130 120.546 120.300 0.194 0.000 2.165 369 Y HA -0.194 4.357 4.550 0.001 0.000 0.286 369 Y C 2.559 178.515 175.900 0.094 0.000 1.155 369 Y CA 1.828 59.998 58.100 0.117 0.000 1.164 369 Y CB -0.677 37.840 38.460 0.095 0.000 0.978 369 Y HN 0.048 nan 8.280 nan 0.000 0.513 370 G N -0.146 108.781 108.800 0.212 0.000 2.402 370 G HA2 -0.232 3.728 3.960 0.001 0.000 0.216 370 G HA3 -0.232 3.728 3.960 0.001 0.000 0.216 370 G C 1.599 176.516 174.900 0.030 0.000 1.162 370 G CA 1.086 46.256 45.100 0.116 0.000 0.777 370 G HN 0.418 nan 8.290 nan 0.000 0.539 371 M N -0.057 119.573 119.600 0.050 0.000 2.086 371 M HA 0.044 4.524 4.480 0.001 0.000 0.261 371 M C 2.598 178.897 176.300 -0.001 0.000 1.067 371 M CA 1.278 56.593 55.300 0.024 0.000 1.116 371 M CB -0.425 32.186 32.600 0.018 0.000 1.348 371 M HN 0.179 nan 8.290 nan 0.000 0.407 372 I N -0.587 119.951 120.570 -0.053 0.000 2.315 372 I HA -0.240 3.931 4.170 0.001 0.000 0.248 372 I C 2.774 178.864 176.117 -0.044 0.000 1.117 372 I CA 0.973 62.243 61.300 -0.050 0.000 1.404 372 I CB -0.376 37.565 38.000 -0.100 0.000 1.071 372 I HN 0.305 nan 8.210 nan 0.000 0.419 373 S N 0.508 116.088 115.700 -0.201 0.000 2.356 373 S HA -0.280 4.191 4.470 0.001 0.000 0.223 373 S C 2.070 176.636 174.600 -0.057 0.000 1.032 373 S CA 1.949 60.025 58.200 -0.206 0.000 1.005 373 S CB -0.267 62.739 63.200 -0.323 0.000 0.867 373 S HN 0.502 nan 8.310 nan 0.000 0.449 374 E N -0.583 119.612 120.200 -0.009 0.000 2.049 374 E HA -0.227 4.123 4.350 0.001 0.000 0.198 374 E C 1.907 178.543 176.600 0.059 0.000 1.007 374 E CA 1.655 58.072 56.400 0.028 0.000 0.809 374 E CB -0.451 29.277 29.700 0.048 0.000 0.749 374 E HN 0.633 nan 8.360 nan 0.000 0.450 375 F N 1.560 121.475 119.950 -0.059 0.000 2.095 375 F HA -0.187 4.340 4.527 0.001 0.000 0.298 375 F C 2.219 177.988 175.800 -0.050 0.000 1.104 375 F CA 1.873 59.843 58.000 -0.051 0.000 1.232 375 F CB -0.130 38.836 39.000 -0.056 0.000 0.987 375 F HN 0.065 nan 8.300 nan 0.000 0.475 376 Q N -0.285 119.508 119.800 -0.013 0.000 2.472 376 Q HA -0.103 4.237 4.340 0.001 0.000 0.208 376 Q C 1.737 177.658 176.000 -0.132 0.000 0.958 376 Q CA 0.673 56.408 55.803 -0.113 0.000 0.932 376 Q CB -0.045 28.693 28.738 0.000 0.000 1.007 376 Q HN 0.460 nan 8.270 nan 0.000 0.508 377 K N 0.099 120.434 120.400 -0.108 0.000 2.418 377 K HA 0.066 4.387 4.320 0.001 0.000 0.195 377 K C 0.361 176.891 176.600 -0.115 0.000 1.035 377 K CA 0.092 56.324 56.287 -0.091 0.000 1.003 377 K CB 0.230 32.695 32.500 -0.059 0.000 0.793 377 K HN 0.128 nan 8.250 nan 0.000 0.494 378 L N 1.827 122.943 121.223 -0.179 0.000 2.473 378 L HA 0.007 4.347 4.340 0.001 0.000 0.268 378 L C 0.273 177.039 176.870 -0.174 0.000 1.215 378 L CA -0.448 54.282 54.840 -0.183 0.000 0.823 378 L CB 0.205 42.107 42.059 -0.262 0.000 1.099 378 L HN 0.078 nan 8.230 nan 0.000 0.483 379 D N 1.082 121.406 120.400 -0.126 0.000 2.478 379 D HA -0.076 4.565 4.640 0.001 0.000 0.234 379 D C 0.888 177.108 176.300 -0.133 0.000 1.154 379 D CA 0.280 54.217 54.000 -0.105 0.000 0.874 379 D CB 0.696 41.451 40.800 -0.074 0.000 1.198 379 D HN 0.421 nan 8.370 nan 0.000 0.455 380 K N 0.941 121.277 120.400 -0.106 0.000 2.074 380 K HA -0.200 4.120 4.320 0.001 0.000 0.209 380 K C 1.702 178.245 176.600 -0.094 0.000 1.048 380 K CA 1.571 57.794 56.287 -0.106 0.000 0.926 380 K CB -0.018 32.442 32.500 -0.067 0.000 0.713 380 K HN 0.419 nan 8.250 nan 0.000 0.444 381 S N 0.171 115.829 115.700 -0.069 0.000 2.515 381 S HA -0.038 4.433 4.470 0.001 0.000 0.231 381 S C 1.651 176.219 174.600 -0.053 0.000 0.987 381 S CA 0.540 58.711 58.200 -0.048 0.000 0.936 381 S CB -0.208 62.972 63.200 -0.033 0.000 0.766 381 S HN 0.337 nan 8.310 nan 0.000 0.528 382 L N 0.127 121.296 121.223 -0.091 0.000 2.567 382 L HA 0.230 4.570 4.340 0.001 0.000 0.225 382 L C 1.060 177.843 176.870 -0.145 0.000 1.119 382 L CA 0.177 54.961 54.840 -0.093 0.000 0.871 382 L CB -0.295 41.703 42.059 -0.103 0.000 1.036 382 L HN 0.316 nan 8.230 nan 0.000 0.459 383 Q N 1.900 121.561 119.800 -0.232 0.000 3.184 383 Q HA 0.073 4.413 4.340 0.001 0.000 0.288 383 Q C 0.289 176.376 176.000 0.145 0.000 1.412 383 Q CA -0.114 55.458 55.803 -0.385 0.000 0.991 383 Q CB -0.082 28.330 28.738 -0.543 0.000 1.688 383 Q HN 0.310 nan 8.270 nan 0.000 0.554 384 T N -3.468 111.226 114.554 0.232 0.000 2.943 384 T HA 0.338 4.688 4.350 0.001 0.000 0.284 384 T C -2.033 172.796 174.700 0.215 0.000 1.015 384 T CA -2.315 59.899 62.100 0.191 0.000 1.042 384 T CB 1.544 70.472 68.868 0.100 0.000 1.055 384 T HN -0.051 nan 8.240 nan 0.000 0.500 385 P HA -0.048 nan 4.420 nan 0.000 0.216 385 P C 1.142 178.451 177.300 0.016 0.000 1.150 385 P CA 1.000 64.114 63.100 0.023 0.000 0.837 385 P CB 0.083 31.789 31.700 0.009 0.000 0.786 386 E N -0.233 119.993 120.200 0.043 0.000 2.077 386 E HA -0.196 4.154 4.350 0.001 0.000 0.193 386 E C 1.967 178.599 176.600 0.053 0.000 0.989 386 E CA 1.244 57.666 56.400 0.036 0.000 0.800 386 E CB -0.615 29.107 29.700 0.037 0.000 0.746 386 E HN 0.091 nan 8.360 nan 0.000 0.452 387 K N 0.427 120.895 120.400 0.113 0.000 2.097 387 K HA -0.068 4.252 4.320 0.001 0.000 0.205 387 K C 1.833 178.513 176.600 0.134 0.000 1.050 387 K CA 0.619 57.004 56.287 0.162 0.000 0.938 387 K CB -0.406 32.242 32.500 0.247 0.000 0.718 387 K HN 0.126 nan 8.250 nan 0.000 0.442 388 L N 0.428 121.657 121.223 0.011 0.000 2.017 388 L HA 0.004 4.344 4.340 0.001 0.000 0.208 388 L C 2.083 178.852 176.870 -0.169 0.000 1.073 388 L CA 2.180 56.819 54.840 -0.335 0.000 0.745 388 L CB -1.053 40.577 42.059 -0.715 0.000 0.894 388 L HN 0.217 nan 8.230 nan 0.000 0.432 389 A N -0.909 121.853 122.820 -0.097 0.000 1.908 389 A HA -0.276 4.045 4.320 0.001 0.000 0.218 389 A C 2.319 179.890 177.584 -0.022 0.000 1.181 389 A CA 1.818 53.822 52.037 -0.054 0.000 0.627 389 A CB -0.771 18.212 19.000 -0.028 0.000 0.818 389 A HN 0.632 nan 8.150 nan 0.000 0.445 390 E N -0.126 120.074 120.200 -0.001 0.000 2.058 390 E HA -0.209 4.141 4.350 0.001 0.000 0.194 390 E C 1.920 178.528 176.600 0.015 0.000 0.997 390 E CA 1.587 57.997 56.400 0.016 0.000 0.801 390 E CB -0.234 29.485 29.700 0.033 0.000 0.746 390 E HN 0.679 nan 8.360 nan 0.000 0.450 391 I N 0.431 121.009 120.570 0.014 0.000 2.179 391 I HA -0.254 3.916 4.170 0.001 0.000 0.242 391 I C 2.498 178.615 176.117 0.001 0.000 1.088 391 I CA 0.694 62.003 61.300 0.016 0.000 1.357 391 I CB -0.182 37.835 38.000 0.029 0.000 1.051 391 I HN 0.052 nan 8.210 nan 0.000 0.409 392 V N 1.343 121.239 119.914 -0.030 0.000 2.287 392 V HA -0.279 3.841 4.120 0.001 0.000 0.248 392 V C 2.082 178.191 176.094 0.025 0.000 1.053 392 V CA 2.020 64.312 62.300 -0.014 0.000 1.027 392 V CB -0.829 30.961 31.823 -0.055 0.000 0.646 392 V HN 0.462 nan 8.190 nan 0.000 0.447 393 N N 0.008 118.718 118.700 0.017 0.000 2.331 393 N HA -0.131 4.609 4.740 0.001 0.000 0.180 393 N C 1.785 177.308 175.510 0.022 0.000 1.019 393 N CA 1.029 54.094 53.050 0.025 0.000 0.881 393 N CB -0.310 38.188 38.487 0.018 0.000 0.972 393 N HN 0.500 nan 8.380 nan 0.000 0.435 394 K N 0.498 120.910 120.400 0.020 0.000 2.288 394 K HA 0.083 4.403 4.320 0.001 0.000 0.201 394 K C 0.464 177.077 176.600 0.022 0.000 1.048 394 K CA 0.775 57.074 56.287 0.019 0.000 0.956 394 K CB 0.223 32.734 32.500 0.020 0.000 0.746 394 K HN 0.094 nan 8.250 nan 0.000 0.461 395 N N 0.469 119.189 118.700 0.032 0.000 2.187 395 N HA 0.013 4.753 4.740 0.001 0.000 0.212 395 N C -0.769 174.779 175.510 0.063 0.000 1.152 395 N CA 0.196 53.270 53.050 0.040 0.000 0.872 395 N CB 1.332 39.846 38.487 0.046 0.000 1.025 395 N HN 0.147 nan 8.380 nan 0.000 0.514 396 S N -0.843 114.898 115.700 0.068 0.000 2.565 396 S HA 0.354 4.824 4.470 0.001 0.000 0.269 396 S C -0.241 174.370 174.600 0.019 0.000 1.153 396 S CA -0.657 57.605 58.200 0.103 0.000 0.835 396 S CB 2.030 65.363 63.200 0.222 0.000 1.122 396 S HN -0.186 nan 8.310 nan 0.000 0.462 397 E N 0.404 120.538 120.200 -0.110 0.000 2.444 397 E HA 0.266 4.617 4.350 0.001 0.000 0.191 397 E C -1.045 175.144 176.600 -0.684 0.000 1.041 397 E CA 0.253 56.414 56.400 -0.399 0.000 0.883 397 E CB -0.212 29.175 29.700 -0.522 0.000 1.024 397 E HN 0.615 nan 8.360 nan 0.000 0.470 398 F N 2.254 122.271 119.950 0.112 0.000 2.564 398 F HA 0.306 4.833 4.527 0.001 0.000 0.361 398 F C -2.109 173.741 175.800 0.085 0.000 1.161 398 F CA -2.658 55.409 58.000 0.112 0.000 1.198 398 F CB 1.203 40.291 39.000 0.146 0.000 1.424 398 F HN -0.202 nan 8.300 nan 0.000 0.517 399 P HA 0.314 nan 4.420 nan 0.000 0.274 399 P C -0.330 177.028 177.300 0.097 0.000 1.231 399 P CA -0.111 63.046 63.100 0.095 0.000 0.790 399 P CB 1.827 33.559 31.700 0.053 0.000 0.951 400 I N -1.844 118.762 120.570 0.059 0.000 2.846 400 I HA 0.633 4.803 4.170 0.001 0.000 0.307 400 I C 0.157 176.286 176.117 0.019 0.000 1.053 400 I CA -0.974 60.349 61.300 0.038 0.000 1.050 400 I CB 2.263 40.270 38.000 0.013 0.000 1.239 400 I HN 0.270 nan 8.210 nan 0.000 0.439 401 T N 1.009 115.572 114.554 0.015 0.000 2.881 401 T HA 0.564 4.914 4.350 0.001 0.000 0.278 401 T C 1.146 175.844 174.700 -0.004 0.000 0.982 401 T CA -0.129 61.977 62.100 0.009 0.000 0.989 401 T CB 1.645 70.521 68.868 0.013 0.000 1.058 401 T HN 0.862 nan 8.240 nan 0.000 0.529 402 A N 0.501 123.320 122.820 -0.002 0.000 1.940 402 A HA -0.082 4.238 4.320 0.001 0.000 0.219 402 A C 2.320 179.898 177.584 -0.009 0.000 1.176 402 A CA 1.260 53.292 52.037 -0.007 0.000 0.631 402 A CB -0.885 18.117 19.000 0.003 0.000 0.814 402 A HN 0.889 nan 8.150 nan 0.000 0.446 403 E N -0.015 120.183 120.200 -0.003 0.000 2.077 403 E HA -0.220 4.131 4.350 0.001 0.000 0.193 403 E C 2.201 178.795 176.600 -0.010 0.000 0.989 403 E CA 1.459 57.857 56.400 -0.003 0.000 0.800 403 E CB -0.395 29.306 29.700 0.002 0.000 0.746 403 E HN 0.792 nan 8.360 nan 0.000 0.452 404 Q N 0.013 119.807 119.800 -0.010 0.000 2.084 404 Q HA -0.093 4.247 4.340 0.001 0.000 0.202 404 Q C 2.156 178.132 176.000 -0.041 0.000 0.978 404 Q CA 1.385 57.178 55.803 -0.017 0.000 0.844 404 Q CB -0.174 28.560 28.738 -0.007 0.000 0.898 404 Q HN 0.221 nan 8.270 nan 0.000 0.426 405 A N 1.453 124.241 122.820 -0.053 0.000 1.972 405 A HA -0.217 4.103 4.320 0.001 0.000 0.219 405 A C 1.873 179.411 177.584 -0.077 0.000 1.169 405 A CA 1.377 53.359 52.037 -0.091 0.000 0.635 405 A CB -0.293 18.644 19.000 -0.104 0.000 0.810 405 A HN 0.199 nan 8.150 nan 0.000 0.446 406 K N -0.104 120.271 120.400 -0.041 0.000 2.074 406 K HA -0.187 4.133 4.320 0.001 0.000 0.209 406 K C 1.675 178.257 176.600 -0.029 0.000 1.048 406 K CA 1.545 57.817 56.287 -0.024 0.000 0.926 406 K CB -0.298 32.196 32.500 -0.010 0.000 0.713 406 K HN 0.440 nan 8.250 nan 0.000 0.444 407 N N 0.687 119.367 118.700 -0.034 0.000 2.149 407 N HA -0.132 4.609 4.740 0.001 0.000 0.188 407 N C 1.819 177.298 175.510 -0.052 0.000 1.019 407 N CA 1.051 54.080 53.050 -0.036 0.000 0.857 407 N CB -0.455 38.013 38.487 -0.032 0.000 0.997 407 N HN -0.023 nan 8.380 nan 0.000 0.426 408 V N 1.202 121.070 119.914 -0.076 0.000 2.626 408 V HA -0.101 4.019 4.120 0.001 0.000 0.252 408 V C 2.029 178.071 176.094 -0.086 0.000 1.067 408 V CA 1.072 63.310 62.300 -0.104 0.000 1.081 408 V CB -0.384 31.341 31.823 -0.163 0.000 0.686 408 V HN 0.256 nan 8.190 nan 0.000 0.468 409 L N -0.242 120.943 121.223 -0.062 0.000 2.567 409 L HA 0.343 4.684 4.340 0.001 0.000 0.225 409 L C 1.312 178.185 176.870 0.005 0.000 1.119 409 L CA -0.043 54.788 54.840 -0.015 0.000 0.871 409 L CB -0.283 41.786 42.059 0.016 0.000 1.036 409 L HN 0.276 nan 8.230 nan 0.000 0.459 410 A N -0.069 122.745 122.820 -0.009 0.000 2.407 410 A HA 0.518 4.839 4.320 0.001 0.000 0.248 410 A C 0.206 177.791 177.584 0.000 0.000 1.082 410 A CA 0.087 52.122 52.037 -0.003 0.000 0.785 410 A CB 0.472 19.466 19.000 -0.011 0.000 1.020 410 A HN 0.170 nan 8.150 nan 0.000 0.489 411 S N 0.084 115.787 115.700 0.005 0.000 2.634 411 S HA 0.746 5.216 4.470 0.001 0.000 0.296 411 S C -0.550 174.051 174.600 0.002 0.000 1.104 411 S CA -0.808 57.397 58.200 0.008 0.000 0.920 411 S CB 1.800 65.008 63.200 0.014 0.000 1.111 411 S HN 0.875 nan 8.310 nan 0.000 0.493 412 K N -0.621 119.780 120.400 0.002 0.000 2.533 412 K HA 0.609 4.929 4.320 0.001 0.000 0.272 412 K C -3.545 173.049 176.600 -0.011 0.000 0.985 412 K CA -2.326 53.957 56.287 -0.007 0.000 0.876 412 K CB 0.893 33.386 32.500 -0.011 0.000 1.452 412 K HN 0.168 nan 8.250 nan 0.000 0.439 413 P HA -0.048 nan 4.420 nan 0.000 0.265 413 P C -0.946 176.325 177.300 -0.049 0.000 1.193 413 P CA -0.118 62.962 63.100 -0.034 0.000 0.765 413 P CB 0.306 31.979 31.700 -0.045 0.000 0.823 414 N N 4.607 123.283 118.700 -0.040 0.000 2.427 414 N HA 0.028 4.768 4.740 0.001 0.000 0.269 414 N C -1.635 173.784 175.510 -0.151 0.000 1.235 414 N CA -1.560 51.463 53.050 -0.045 0.000 0.934 414 N CB 0.038 38.521 38.487 -0.006 0.000 1.121 414 N HN 0.204 nan 8.380 nan 0.000 0.480 415 P HA 0.061 nan 4.420 nan 0.000 0.241 415 P C -0.629 176.141 177.300 -0.884 0.000 1.191 415 P CA 0.872 63.580 63.100 -0.652 0.000 0.771 415 P CB 0.072 31.214 31.700 -0.930 0.000 0.929 416 Y N -1.287 118.979 120.300 -0.058 0.000 2.672 416 Y HA 0.321 4.871 4.550 0.001 0.000 0.272 416 Y C 0.804 176.647 175.900 -0.096 0.000 1.055 416 Y CA -1.040 57.008 58.100 -0.087 0.000 1.151 416 Y CB -0.110 38.278 38.460 -0.121 0.000 1.190 416 Y HN -0.233 nan 8.280 nan 0.000 0.574 417 R N 1.840 122.332 120.500 -0.013 0.000 2.537 417 R HA 0.423 4.764 4.340 0.001 0.000 0.280 417 R C -1.183 175.111 176.300 -0.010 0.000 1.058 417 R CA 0.213 56.307 56.100 -0.011 0.000 1.057 417 R CB 0.298 30.586 30.300 -0.019 0.000 0.973 417 R HN 0.362 nan 8.270 nan 0.000 0.438 418 L N 3.863 125.083 121.223 -0.005 0.000 2.441 418 L HA 0.401 4.741 4.340 0.001 0.000 0.270 418 L C -0.425 176.477 176.870 0.054 0.000 0.973 418 L CA -0.878 53.973 54.840 0.019 0.000 0.842 418 L CB 1.969 44.034 42.059 0.010 0.000 1.239 418 L HN 0.725 nan 8.230 nan 0.000 0.406 419 A N 3.003 125.845 122.820 0.037 0.000 2.451 419 A HA 0.456 4.776 4.320 0.001 0.000 0.266 419 A C 0.319 177.931 177.584 0.047 0.000 1.119 419 A CA 0.204 52.262 52.037 0.035 0.000 0.786 419 A CB 0.344 19.355 19.000 0.018 0.000 1.061 419 A HN 0.743 nan 8.150 nan 0.000 0.503 420 Q N 1.304 121.137 119.800 0.055 0.000 2.163 420 Q HA 0.044 4.385 4.340 0.001 0.000 0.267 420 Q C -0.898 175.118 176.000 0.026 0.000 0.833 420 Q CA -0.142 55.675 55.803 0.024 0.000 1.033 420 Q CB 0.062 28.801 28.738 0.000 0.000 1.318 420 Q HN 1.017 nan 8.270 nan 0.000 0.396 421 H N 0.634 119.688 119.070 -0.027 0.000 2.683 421 H HA 0.126 4.682 4.556 0.001 0.000 0.339 421 H C 1.414 176.696 175.328 -0.075 0.000 1.081 421 H CA 0.587 56.616 56.048 -0.031 0.000 1.432 421 H CB 1.180 30.947 29.762 0.008 0.000 1.462 421 H HN -0.030 nan 8.280 nan 0.000 0.557 422 K N 2.955 123.140 120.400 -0.359 0.000 2.113 422 K HA -0.210 4.110 4.320 0.001 0.000 0.208 422 K C 0.319 176.696 176.600 -0.372 0.000 1.047 422 K CA 1.843 57.859 56.287 -0.452 0.000 0.928 422 K CB 0.109 32.142 32.500 -0.778 0.000 0.716 422 K HN 0.679 nan 8.250 nan 0.000 0.446 423 Y N -1.222 119.288 120.300 0.350 0.000 2.535 423 Y HA 0.206 4.756 4.550 0.001 0.000 0.264 423 Y C 1.194 177.200 175.900 0.175 0.000 1.087 423 Y CA -0.084 58.183 58.100 0.278 0.000 1.285 423 Y CB 0.587 39.187 38.460 0.233 0.000 1.200 423 Y HN -0.124 nan 8.280 nan 0.000 0.514 424 L N 0.124 121.526 121.223 0.298 0.000 2.700 424 L HA 0.136 4.476 4.340 0.001 0.000 0.234 424 L C 1.767 178.663 176.870 0.044 0.000 1.156 424 L CA 0.359 55.201 54.840 0.004 0.000 0.946 424 L CB -0.018 41.821 42.059 -0.367 0.000 1.216 424 L HN 0.168 nan 8.230 nan 0.000 0.493 425 S N -0.589 115.169 115.700 0.097 0.000 2.496 425 S HA 0.144 4.615 4.470 0.001 0.000 0.224 425 S C 1.176 175.802 174.600 0.045 0.000 0.996 425 S CA 0.083 58.322 58.200 0.066 0.000 0.927 425 S CB -0.017 63.221 63.200 0.064 0.000 0.774 425 S HN 0.239 nan 8.310 nan 0.000 0.524 426 A N 1.719 124.570 122.820 0.052 0.000 2.445 426 A HA 0.271 4.592 4.320 0.001 0.000 0.242 426 A C 1.185 178.784 177.584 0.026 0.000 1.075 426 A CA -0.007 52.055 52.037 0.042 0.000 0.777 426 A CB 0.050 19.083 19.000 0.055 0.000 1.013 426 A HN 0.534 nan 8.150 nan 0.000 0.493 427 E N 0.873 121.084 120.200 0.018 0.000 2.072 427 E HA -0.103 4.247 4.350 0.001 0.000 0.191 427 E C 0.154 176.756 176.600 0.004 0.000 0.985 427 E CA 1.108 57.512 56.400 0.006 0.000 0.801 427 E CB 0.117 29.820 29.700 0.004 0.000 0.750 427 E HN 0.830 nan 8.360 nan 0.000 0.452 428 E N -0.179 120.029 120.200 0.014 0.000 2.281 428 E HA 0.425 4.776 4.350 0.001 0.000 0.262 428 E C -0.996 175.622 176.600 0.030 0.000 0.933 428 E CA -0.799 55.610 56.400 0.015 0.000 0.809 428 E CB 2.647 32.355 29.700 0.014 0.000 1.242 428 E HN 0.057 nan 8.360 nan 0.000 0.418 429 V N -2.080 117.853 119.914 0.032 0.000 3.114 429 V HA 0.546 4.667 4.120 0.001 0.000 0.308 429 V C -2.858 173.261 176.094 0.042 0.000 1.168 429 V CA -3.010 59.321 62.300 0.051 0.000 1.015 429 V CB 1.469 33.334 31.823 0.071 0.000 1.050 429 V HN 0.438 nan 8.190 nan 0.000 0.433 430 P HA 0.249 nan 4.420 nan 0.000 0.262 430 P C -0.283 177.025 177.300 0.012 0.000 1.182 430 P CA 0.599 63.714 63.100 0.026 0.000 0.761 430 P CB 0.437 32.155 31.700 0.031 0.000 0.795 431 A N 5.545 128.361 122.820 -0.007 0.000 2.437 431 A HA 0.275 4.595 4.320 0.001 0.000 0.303 431 A C 0.152 177.711 177.584 -0.042 0.000 1.324 431 A CA -0.211 51.818 52.037 -0.013 0.000 0.983 431 A CB -0.735 18.257 19.000 -0.013 0.000 1.142 431 A HN 0.412 nan 8.150 nan 0.000 0.541 432 I N 3.131 123.672 120.570 -0.049 0.000 2.331 432 I HA 0.097 4.268 4.170 0.001 0.000 0.292 432 I C 0.765 176.857 176.117 -0.042 0.000 0.998 432 I CA -0.020 61.211 61.300 -0.115 0.000 1.267 432 I CB 1.109 38.964 38.000 -0.241 0.000 1.386 432 I HN 0.779 nan 8.210 nan 0.000 0.476 433 N N 3.586 122.261 118.700 -0.042 0.000 2.135 433 N HA -0.070 4.671 4.740 0.001 0.000 0.186 433 N C -0.381 175.124 175.510 -0.007 0.000 1.027 433 N CA 0.792 53.832 53.050 -0.017 0.000 0.849 433 N CB 0.249 38.725 38.487 -0.018 0.000 1.002 433 N HN 0.566 nan 8.380 nan 0.000 0.425 434 D N -0.487 119.919 120.400 0.009 0.000 2.248 434 D HA 0.245 4.885 4.640 0.001 0.000 0.246 434 D C -0.262 176.148 176.300 0.182 0.000 1.027 434 D CA -0.563 53.408 54.000 -0.048 0.000 0.853 434 D CB 1.082 41.839 40.800 -0.071 0.000 1.243 434 D HN 0.051 nan 8.370 nan 0.000 0.462 435 F N 0.471 120.579 119.950 0.263 0.000 3.080 435 F HA -0.229 4.298 4.527 0.001 0.000 0.292 435 F C 1.366 177.527 175.800 0.602 0.000 0.891 435 F CA 0.324 58.603 58.000 0.466 0.000 1.086 435 F CB -1.720 37.536 39.000 0.427 0.000 1.095 435 F HN 0.366 nan 8.300 nan 0.000 0.633 436 D N 0.261 120.947 120.400 0.477 0.000 2.310 436 D HA -0.028 4.612 4.640 0.001 0.000 0.212 436 D C 1.853 178.351 176.300 0.330 0.000 0.965 436 D CA 1.128 55.391 54.000 0.439 0.000 0.879 436 D CB -0.388 40.591 40.800 0.299 0.000 0.921 436 D HN 0.468 nan 8.370 nan 0.000 0.510 437 A N -0.677 122.166 122.820 0.039 0.000 2.209 437 A HA 0.092 4.413 4.320 0.001 0.000 0.212 437 A C 1.014 178.152 177.584 -0.743 0.000 1.158 437 A CA 0.201 51.781 52.037 -0.762 0.000 0.742 437 A CB -0.798 17.614 19.000 -0.981 0.000 0.790 437 A HN 0.248 nan 8.150 nan 0.000 0.472 438 F N -2.183 117.747 119.950 -0.032 0.000 2.668 438 F HA 0.374 4.901 4.527 0.001 0.000 0.301 438 F C -0.346 175.118 175.800 -0.560 0.000 1.106 438 F CA -0.286 57.563 58.000 -0.252 0.000 1.289 438 F CB 0.317 39.178 39.000 -0.232 0.000 1.006 438 F HN 0.115 nan 8.300 nan 0.000 0.535 439 F N 1.584 121.563 119.950 0.049 0.000 2.622 439 F HA 0.351 4.879 4.527 0.001 0.000 0.338 439 F C -1.875 173.886 175.800 -0.065 0.000 1.334 439 F CA -1.611 56.416 58.000 0.045 0.000 1.179 439 F CB 0.691 39.760 39.000 0.115 0.000 1.471 439 F HN -0.186 nan 8.300 nan 0.000 0.576 440 P HA 0.007 nan 4.420 nan 0.000 0.251 440 P C 0.402 177.558 177.300 -0.240 0.000 1.223 440 P CA 0.699 63.617 63.100 -0.304 0.000 0.796 440 P CB 0.150 31.484 31.700 -0.610 0.000 1.068 441 Y N 0.793 121.124 120.300 0.052 0.000 2.493 441 Y HA 0.210 4.761 4.550 0.001 0.000 0.275 441 Y C 0.744 176.706 175.900 0.102 0.000 1.183 441 Y CA -0.768 57.353 58.100 0.035 0.000 1.258 441 Y CB -0.904 37.505 38.460 -0.084 0.000 1.108 441 Y HN -0.039 nan 8.280 nan 0.000 0.521 442 N N 1.276 120.108 118.700 0.221 0.000 2.727 442 N HA -0.223 4.517 4.740 0.001 0.000 0.249 442 N C -0.992 174.615 175.510 0.161 0.000 1.048 442 N CA 1.072 54.225 53.050 0.172 0.000 0.714 442 N CB -0.851 37.735 38.487 0.165 0.000 0.959 442 N HN 0.394 nan 8.380 nan 0.000 0.544 443 D N 0.059 120.565 120.400 0.177 0.000 2.440 443 D HA 0.246 4.887 4.640 0.001 0.000 0.239 443 D C 1.054 177.417 176.300 0.105 0.000 1.084 443 D CA -0.519 53.575 54.000 0.157 0.000 0.843 443 D CB 0.727 41.650 40.800 0.204 0.000 1.097 443 D HN 0.085 nan 8.370 nan 0.000 0.531 444 R N 1.920 122.451 120.500 0.053 0.000 2.280 444 R HA 0.046 4.386 4.340 0.001 0.000 0.207 444 R C 1.907 178.177 176.300 -0.050 0.000 1.043 444 R CA 0.630 56.724 56.100 -0.010 0.000 1.006 444 R CB 0.183 30.459 30.300 -0.040 0.000 0.885 444 R HN 0.443 nan 8.270 nan 0.000 0.467 445 G N 1.769 110.578 108.800 0.015 0.000 2.469 445 G HA2 -0.283 3.678 3.960 0.001 0.000 0.220 445 G HA3 -0.283 3.678 3.960 0.001 0.000 0.220 445 G C 1.211 176.151 174.900 0.068 0.000 1.136 445 G CA 0.631 45.769 45.100 0.064 0.000 0.759 445 G HN 0.305 nan 8.290 nan 0.000 0.562 446 N N 0.332 119.071 118.700 0.065 0.000 2.223 446 N HA -0.023 4.717 4.740 0.001 0.000 0.185 446 N C 2.232 177.705 175.510 -0.061 0.000 1.016 446 N CA 0.716 53.781 53.050 0.026 0.000 0.863 446 N CB -0.126 38.439 38.487 0.130 0.000 0.983 446 N HN 0.313 nan 8.380 nan 0.000 0.429 447 L N 0.403 121.576 121.223 -0.083 0.000 2.109 447 L HA -0.082 4.259 4.340 0.001 0.000 0.207 447 L C 2.299 179.108 176.870 -0.101 0.000 1.086 447 L CA 0.338 55.119 54.840 -0.099 0.000 0.760 447 L CB -0.287 41.715 42.059 -0.096 0.000 0.910 447 L HN 0.094 nan 8.230 nan 0.000 0.437 448 L N 0.387 121.505 121.223 -0.174 0.000 2.083 448 L HA -0.146 4.195 4.340 0.001 0.000 0.209 448 L C 2.610 179.425 176.870 -0.091 0.000 1.083 448 L CA 1.998 56.682 54.840 -0.259 0.000 0.752 448 L CB -0.752 40.922 42.059 -0.643 0.000 0.899 448 L HN 0.151 nan 8.230 nan 0.000 0.433 449 A N -0.612 122.237 122.820 0.049 0.000 1.933 449 A HA -0.232 4.088 4.320 0.001 0.000 0.218 449 A C 2.415 180.113 177.584 0.191 0.000 1.175 449 A CA 1.734 53.909 52.037 0.230 0.000 0.628 449 A CB -0.526 18.544 19.000 0.118 0.000 0.814 449 A HN 0.468 nan 8.150 nan 0.000 0.444 450 R N -0.392 120.169 120.500 0.102 0.000 2.120 450 R HA -0.085 4.255 4.340 0.001 0.000 0.234 450 R C 1.814 178.159 176.300 0.074 0.000 1.123 450 R CA 1.444 57.599 56.100 0.092 0.000 0.975 450 R CB -0.069 30.250 30.300 0.031 0.000 0.866 450 R HN 0.486 nan 8.270 nan 0.000 0.446 451 E N 0.111 120.339 120.200 0.047 0.000 2.230 451 E HA -0.095 4.256 4.350 0.001 0.000 0.192 451 E C 1.536 178.182 176.600 0.077 0.000 0.987 451 E CA 0.834 57.259 56.400 0.041 0.000 0.841 451 E CB 0.176 29.876 29.700 0.001 0.000 0.783 451 E HN 0.473 nan 8.360 nan 0.000 0.481 452 Q N 0.040 119.905 119.800 0.107 0.000 2.425 452 Q HA 0.200 4.540 4.340 0.001 0.000 0.204 452 Q C 1.932 177.983 176.000 0.085 0.000 0.933 452 Q CA 0.409 56.291 55.803 0.132 0.000 0.939 452 Q CB 0.268 29.117 28.738 0.184 0.000 1.044 452 Q HN 0.141 nan 8.270 nan 0.000 0.513 453 A N 0.918 123.804 122.820 0.110 0.000 1.873 453 A HA -0.225 4.096 4.320 0.001 0.000 0.218 453 A C 2.221 179.837 177.584 0.053 0.000 1.193 453 A CA 2.102 54.195 52.037 0.094 0.000 0.629 453 A CB -0.911 18.161 19.000 0.121 0.000 0.826 453 A HN 0.276 nan 8.150 nan 0.000 0.447 454 T N -0.379 114.217 114.554 0.069 0.000 2.746 454 T HA -0.026 4.325 4.350 0.001 0.000 0.267 454 T C 1.970 176.727 174.700 0.095 0.000 1.039 454 T CA 1.459 63.603 62.100 0.072 0.000 1.142 454 T CB -0.693 68.220 68.868 0.074 0.000 0.866 454 T HN 0.611 nan 8.240 nan 0.000 0.444 455 G N 0.796 109.671 108.800 0.125 0.000 2.432 455 G HA2 -0.206 3.754 3.960 0.001 0.000 0.219 455 G HA3 -0.206 3.754 3.960 0.001 0.000 0.219 455 G C 1.431 176.435 174.900 0.172 0.000 1.135 455 G CA 0.467 45.709 45.100 0.236 0.000 0.767 455 G HN 0.489 nan 8.290 nan 0.000 0.550 456 Q N -0.497 119.226 119.800 -0.129 0.000 2.424 456 Q HA 0.103 4.444 4.340 0.001 0.000 0.204 456 Q C 0.425 176.462 176.000 0.061 0.000 0.933 456 Q CA -0.267 55.356 55.803 -0.301 0.000 0.929 456 Q CB 0.209 28.665 28.738 -0.469 0.000 1.037 456 Q HN 0.420 nan 8.270 nan 0.000 0.511 457 N N 0.757 119.509 118.700 0.087 0.000 2.727 457 N HA -0.199 4.542 4.740 0.001 0.000 0.249 457 N C -1.105 174.454 175.510 0.082 0.000 1.048 457 N CA 0.708 53.832 53.050 0.124 0.000 0.714 457 N CB -0.865 37.740 38.487 0.198 0.000 0.959 457 N HN 0.290 nan 8.380 nan 0.000 0.544 458 I N 0.533 121.070 120.570 -0.054 0.000 2.465 458 I HA 0.399 4.570 4.170 0.001 0.000 0.291 458 I C 0.445 176.421 176.117 -0.235 0.000 1.014 458 I CA -1.005 60.133 61.300 -0.269 0.000 1.093 458 I CB 2.052 39.872 38.000 -0.300 0.000 1.267 458 I HN -0.153 nan 8.210 nan 0.000 0.431 459 V N 1.933 121.605 119.914 -0.404 0.000 3.019 459 V HA 0.693 4.813 4.120 0.001 0.000 0.317 459 V C -1.552 174.256 176.094 -0.477 0.000 1.094 459 V CA -0.604 61.544 62.300 -0.253 0.000 1.000 459 V CB 1.955 33.677 31.823 -0.168 0.000 1.060 459 V HN 0.771 nan 8.190 nan 0.000 0.443 460 W N 0.383 121.691 121.300 0.012 0.000 3.033 460 W HA 0.793 5.453 4.660 0.001 0.000 0.336 460 W C 0.771 177.290 176.519 -0.000 0.000 1.173 460 W CA -0.140 57.235 57.345 0.049 0.000 1.185 460 W CB 2.304 31.856 29.460 0.153 0.000 1.425 460 W HN 0.818 nan 8.180 nan 0.000 0.536 461 G N -0.421 108.477 108.800 0.164 0.000 2.709 461 G HA2 0.291 4.252 3.960 0.001 0.000 0.208 461 G HA3 0.291 4.252 3.960 0.001 0.000 0.208 461 G C -0.097 174.729 174.900 -0.122 0.000 1.129 461 G CA 0.740 45.759 45.100 -0.136 0.000 0.793 461 G HN 0.372 nan 8.290 nan 0.000 0.524 462 T N -1.925 112.624 114.554 -0.008 0.000 2.853 462 T HA 0.498 4.849 4.350 0.001 0.000 0.311 462 T C 0.631 175.072 174.700 -0.433 0.000 1.307 462 T CA 0.402 62.289 62.100 -0.354 0.000 1.019 462 T CB 1.417 70.127 68.868 -0.263 0.000 1.264 462 T HN 0.132 nan 8.240 nan 0.000 0.497 463 G N 1.190 109.372 108.800 -1.031 0.000 3.141 463 G HA2 0.345 4.305 3.960 0.001 0.000 0.218 463 G HA3 0.345 4.305 3.960 0.001 0.000 0.218 463 G C 0.765 175.729 174.900 0.106 0.000 1.170 463 G CA 0.798 45.700 45.100 -0.330 0.000 0.769 463 G HN 1.003 nan 8.290 nan 0.000 0.546 464 T N -3.011 111.547 114.554 0.007 0.000 2.586 464 T HA 0.449 4.799 4.350 0.001 0.000 0.224 464 T C -0.072 174.701 174.700 0.121 0.000 0.878 464 T CA -0.728 61.458 62.100 0.143 0.000 1.153 464 T CB 1.076 69.955 68.868 0.019 0.000 1.777 464 T HN 0.170 nan 8.240 nan 0.000 0.522 465 H N 0.030 119.104 119.070 0.008 0.000 2.544 465 H HA 0.632 5.189 4.556 0.001 0.000 0.342 465 H C 0.048 175.388 175.328 0.021 0.000 1.185 465 H CA -0.992 55.038 56.048 -0.030 0.000 1.264 465 H CB 1.718 31.363 29.762 -0.195 0.000 1.607 465 H HN 0.873 nan 8.280 nan 0.000 0.550 466 T N -2.875 111.792 114.554 0.188 0.000 2.926 466 T HA 0.091 4.442 4.350 0.001 0.000 0.289 466 T C 0.750 175.539 174.700 0.148 0.000 1.054 466 T CA -0.895 61.297 62.100 0.154 0.000 1.015 466 T CB 1.086 70.009 68.868 0.092 0.000 1.167 466 T HN 0.899 nan 8.240 nan 0.000 0.526 467 H N -1.127 117.982 119.070 0.065 0.000 2.556 467 H HA 0.222 4.779 4.556 0.001 0.000 0.268 467 H C 0.388 175.745 175.328 0.048 0.000 0.996 467 H CA 0.076 56.167 56.048 0.072 0.000 1.157 467 H CB -0.839 28.964 29.762 0.069 0.000 1.355 467 H HN 0.526 nan 8.280 nan 0.000 0.597 468 T N 4.086 118.259 114.554 -0.635 0.000 2.765 468 T HA -0.011 4.340 4.350 0.001 0.000 0.275 468 T C -2.300 172.239 174.700 -0.267 0.000 1.007 468 T CA -0.742 61.023 62.100 -0.560 0.000 1.175 468 T CB 0.418 69.116 68.868 -0.284 0.000 0.993 468 T HN 0.334 nan 8.240 nan 0.000 0.510 469 P HA 0.141 nan 4.420 nan 0.000 0.264 469 P C -0.023 177.207 177.300 -0.116 0.000 1.193 469 P CA -0.369 62.658 63.100 -0.121 0.000 0.763 469 P CB 0.274 31.937 31.700 -0.062 0.000 0.810 470 V N 1.030 120.872 119.914 -0.120 0.000 2.863 470 V HA 0.406 4.526 4.120 0.001 0.000 0.307 470 V C 0.189 176.223 176.094 -0.100 0.000 1.061 470 V CA -0.954 61.295 62.300 -0.085 0.000 1.024 470 V CB 0.889 32.680 31.823 -0.054 0.000 1.049 470 V HN 0.343 nan 8.190 nan 0.000 0.471 471 N N 1.205 119.826 118.700 -0.132 0.000 2.492 471 N HA 0.462 5.203 4.740 0.001 0.000 0.260 471 N C -0.846 174.446 175.510 -0.364 0.000 1.215 471 N CA -0.290 52.551 53.050 -0.349 0.000 0.923 471 N CB 1.187 39.345 38.487 -0.549 0.000 1.092 471 N HN 0.648 nan 8.380 nan 0.000 0.448 472 V N 3.022 122.663 119.914 -0.456 0.000 2.407 472 V HA 0.363 4.483 4.120 0.001 0.000 0.291 472 V C -0.934 174.915 176.094 -0.409 0.000 1.018 472 V CA -0.649 61.480 62.300 -0.285 0.000 0.842 472 V CB 0.190 31.928 31.823 -0.142 0.000 0.996 472 V HN 0.495 nan 8.190 nan 0.000 0.426 473 F N 3.257 123.226 119.950 0.032 0.000 2.411 473 F HA 0.788 5.316 4.527 0.001 0.000 0.352 473 F C 0.547 176.388 175.800 0.068 0.000 1.123 473 F CA -0.496 57.526 58.000 0.038 0.000 1.044 473 F CB 1.678 40.700 39.000 0.037 0.000 1.135 473 F HN 0.535 nan 8.300 nan 0.000 0.461 474 A N 3.836 126.784 122.820 0.214 0.000 2.342 474 A HA 0.698 5.018 4.320 0.001 0.000 0.323 474 A C -1.938 175.806 177.584 0.268 0.000 1.125 474 A CA -0.606 51.549 52.037 0.198 0.000 0.785 474 A CB 0.815 19.855 19.000 0.066 0.000 1.221 474 A HN 0.904 nan 8.150 nan 0.000 0.463 475 W N 2.111 123.471 121.300 0.100 0.000 2.883 475 W HA 0.597 5.258 4.660 0.001 0.000 0.335 475 W C 0.169 176.737 176.519 0.082 0.000 1.083 475 W CA 0.830 58.228 57.345 0.089 0.000 1.233 475 W CB 2.019 31.542 29.460 0.105 0.000 1.412 475 W HN 1.504 nan 8.180 nan 0.000 0.490 476 G N 3.835 112.261 108.800 -0.624 0.000 2.350 476 G HA2 0.141 4.102 3.960 0.001 0.000 0.282 476 G HA3 0.141 4.102 3.960 0.001 0.000 0.282 476 G C -3.147 171.470 174.900 -0.471 0.000 1.314 476 G CA -1.212 43.567 45.100 -0.535 0.000 0.915 476 G HN 0.239 nan 8.290 nan 0.000 0.499 477 P HA 0.398 nan 4.420 nan 0.000 0.265 477 P C 1.013 178.226 177.300 -0.144 0.000 1.193 477 P CA 0.742 63.725 63.100 -0.195 0.000 0.765 477 P CB 1.162 32.795 31.700 -0.110 0.000 0.823 478 A N 4.779 127.515 122.820 -0.140 0.000 1.892 478 A HA -0.243 4.078 4.320 0.001 0.000 0.218 478 A C 1.908 179.459 177.584 -0.056 0.000 1.188 478 A CA 1.882 53.858 52.037 -0.103 0.000 0.631 478 A CB -0.961 17.986 19.000 -0.089 0.000 0.822 478 A HN 0.661 nan 8.150 nan 0.000 0.447 479 E N 0.521 120.696 120.200 -0.042 0.000 2.204 479 E HA -0.174 4.176 4.350 0.001 0.000 0.194 479 E C 1.589 178.196 176.600 0.011 0.000 0.989 479 E CA 1.520 57.910 56.400 -0.016 0.000 0.824 479 E CB -0.421 29.269 29.700 -0.016 0.000 0.756 479 E HN 0.677 nan 8.360 nan 0.000 0.477 480 K N 0.693 121.102 120.400 0.015 0.000 2.243 480 K HA 0.107 4.428 4.320 0.001 0.000 0.201 480 K C 2.351 179.046 176.600 0.158 0.000 1.051 480 K CA 1.149 57.479 56.287 0.072 0.000 0.970 480 K CB -0.070 32.454 32.500 0.041 0.000 0.755 480 K HN 0.338 nan 8.250 nan 0.000 0.465 481 I N -2.103 118.513 120.570 0.078 0.000 3.228 481 I HA -0.010 4.161 4.170 0.001 0.000 0.279 481 I C 1.891 177.997 176.117 -0.017 0.000 1.221 481 I CA 0.197 61.534 61.300 0.061 0.000 1.458 481 I CB -0.076 37.934 38.000 0.017 0.000 1.105 481 I HN -0.108 nan 8.210 nan 0.000 0.445 482 L N 2.973 124.189 121.223 -0.011 0.000 2.043 482 L HA -0.043 4.297 4.340 0.001 0.000 0.212 482 L C -0.521 176.323 176.870 -0.043 0.000 1.075 482 L CA 2.368 57.191 54.840 -0.029 0.000 0.752 482 L CB -1.648 40.400 42.059 -0.018 0.000 0.891 482 L HN 0.178 nan 8.230 nan 0.000 0.432 483 P HA -0.093 nan 4.420 nan 0.000 0.228 483 P C 1.763 178.981 177.300 -0.137 0.000 1.151 483 P CA 0.817 63.893 63.100 -0.040 0.000 0.770 483 P CB -0.023 31.702 31.700 0.041 0.000 0.786 484 V N -1.318 118.452 119.914 -0.241 0.000 3.041 484 V HA -0.059 4.061 4.120 0.001 0.000 0.260 484 V C 1.450 177.443 176.094 -0.169 0.000 1.105 484 V CA 1.277 63.392 62.300 -0.310 0.000 1.125 484 V CB -0.888 30.692 31.823 -0.406 0.000 0.730 484 V HN 0.129 nan 8.190 nan 0.000 0.479 485 S N 1.820 117.452 115.700 -0.114 0.000 4.087 485 S HA 0.294 4.764 4.470 0.001 0.000 0.213 485 S C 0.003 174.565 174.600 -0.063 0.000 1.415 485 S CA -0.427 57.723 58.200 -0.083 0.000 0.893 485 S CB -0.930 62.233 63.200 -0.062 0.000 1.529 485 S HN 0.785 nan 8.310 nan 0.000 0.457 486 K N 1.158 121.519 120.400 -0.065 0.000 2.571 486 K HA 0.472 4.792 4.320 0.001 0.000 0.289 486 K C -1.212 175.367 176.600 -0.034 0.000 1.028 486 K CA -1.073 55.190 56.287 -0.039 0.000 0.895 486 K CB 0.532 33.015 32.500 -0.028 0.000 1.534 486 K HN 0.163 nan 8.250 nan 0.000 0.421 487 I N 2.753 123.316 120.570 -0.012 0.000 2.496 487 I HA 0.216 4.386 4.170 0.001 0.000 0.285 487 I C 0.340 176.470 176.117 0.021 0.000 1.080 487 I CA -0.215 61.088 61.300 0.004 0.000 1.404 487 I CB 0.655 38.667 38.000 0.021 0.000 1.403 487 I HN 0.670 nan 8.210 nan 0.000 0.539 488 M N 4.829 124.446 119.600 0.029 0.000 3.223 488 M HA 0.544 5.025 4.480 0.001 0.000 0.282 488 M C -1.228 175.131 176.300 0.098 0.000 1.346 488 M CA -0.928 54.408 55.300 0.060 0.000 0.789 488 M CB 2.590 35.207 32.600 0.028 0.000 1.724 488 M HN 0.415 nan 8.290 nan 0.000 0.447 489 H N -0.635 118.436 119.070 0.001 0.000 2.731 489 H HA 0.383 4.939 4.556 0.001 0.000 0.368 489 H C -0.171 175.155 175.328 -0.003 0.000 1.168 489 H CA -0.325 55.692 56.048 -0.051 0.000 1.181 489 H CB 1.478 31.172 29.762 -0.113 0.000 1.743 489 H HN 0.894 nan 8.280 nan 0.000 0.547 490 H N 1.596 120.179 119.070 -0.811 0.000 2.422 490 H HA -0.156 4.400 4.556 0.001 0.000 0.298 490 H C 2.207 177.394 175.328 -0.234 0.000 1.098 490 H CA 2.029 57.811 56.048 -0.443 0.000 1.315 490 H CB 0.046 29.541 29.762 -0.445 0.000 1.382 490 H HN 0.587 nan 8.280 nan 0.000 0.523 491 S N 0.211 115.884 115.700 -0.045 0.000 2.368 491 S HA -0.168 4.302 4.470 0.001 0.000 0.225 491 S C 1.951 176.531 174.600 -0.034 0.000 1.030 491 S CA 1.409 59.552 58.200 -0.095 0.000 0.999 491 S CB -0.137 62.823 63.200 -0.399 0.000 0.844 491 S HN 0.468 nan 8.310 nan 0.000 0.459 492 E N 0.910 121.118 120.200 0.013 0.000 2.150 492 E HA 0.039 4.390 4.350 0.001 0.000 0.193 492 E C 1.949 178.587 176.600 0.062 0.000 0.985 492 E CA 0.790 57.219 56.400 0.049 0.000 0.814 492 E CB -0.292 29.450 29.700 0.070 0.000 0.752 492 E HN 0.392 nan 8.360 nan 0.000 0.466 493 L N 0.426 121.665 121.223 0.026 0.000 2.056 493 L HA -0.006 4.334 4.340 0.001 0.000 0.207 493 L C 2.130 179.043 176.870 0.070 0.000 1.078 493 L CA 2.134 56.991 54.840 0.028 0.000 0.749 493 L CB -0.967 41.050 42.059 -0.071 0.000 0.901 493 L HN 0.140 nan 8.230 nan 0.000 0.433 494 G N -1.177 107.623 108.800 0.001 0.000 2.422 494 G HA2 -0.345 3.616 3.960 0.001 0.000 0.218 494 G HA3 -0.345 3.616 3.960 0.001 0.000 0.218 494 G C 1.488 176.407 174.900 0.032 0.000 1.146 494 G CA 0.938 46.042 45.100 0.007 0.000 0.769 494 G HN 0.475 nan 8.290 nan 0.000 0.547 495 E N -0.171 120.054 120.200 0.042 0.000 2.072 495 E HA -0.158 4.192 4.350 0.001 0.000 0.191 495 E C 2.010 178.648 176.600 0.065 0.000 0.985 495 E CA 0.939 57.365 56.400 0.042 0.000 0.801 495 E CB -0.592 29.137 29.700 0.047 0.000 0.750 495 E HN 0.521 nan 8.360 nan 0.000 0.452 496 Y N 0.657 120.959 120.300 0.003 0.000 2.128 496 Y HA -0.192 4.359 4.550 0.001 0.000 0.284 496 Y C 1.942 177.855 175.900 0.022 0.000 1.154 496 Y CA 2.254 60.362 58.100 0.012 0.000 1.149 496 Y CB -0.270 38.198 38.460 0.014 0.000 0.976 496 Y HN 0.074 nan 8.280 nan 0.000 0.505 497 I N 0.324 120.948 120.570 0.090 0.000 2.226 497 I HA -0.329 3.842 4.170 0.001 0.000 0.245 497 I C 2.422 178.496 176.117 -0.071 0.000 1.100 497 I CA 1.663 62.977 61.300 0.025 0.000 1.374 497 I CB -0.463 37.642 38.000 0.176 0.000 1.057 497 I HN 0.184 nan 8.210 nan 0.000 0.413 498 K N 0.498 120.861 120.400 -0.060 0.000 2.103 498 K HA -0.231 4.089 4.320 0.001 0.000 0.207 498 K C 2.113 178.652 176.600 -0.102 0.000 1.048 498 K CA 1.447 57.684 56.287 -0.082 0.000 0.930 498 K CB -0.153 32.310 32.500 -0.061 0.000 0.716 498 K HN 0.414 nan 8.250 nan 0.000 0.444 499 Q N 0.045 119.763 119.800 -0.137 0.000 2.364 499 Q HA -0.122 4.219 4.340 0.001 0.000 0.207 499 Q C 1.581 177.472 176.000 -0.180 0.000 0.970 499 Q CA 0.812 56.527 55.803 -0.148 0.000 0.888 499 Q CB 0.244 28.891 28.738 -0.152 0.000 0.951 499 Q HN 0.227 nan 8.270 nan 0.000 0.469 500 Q N -0.537 119.124 119.800 -0.233 0.000 2.425 500 Q HA 0.076 4.417 4.340 0.001 0.000 0.204 500 Q C -0.008 175.944 176.000 -0.081 0.000 0.933 500 Q CA 0.309 56.004 55.803 -0.181 0.000 0.939 500 Q CB 0.593 29.201 28.738 -0.218 0.000 1.044 500 Q HN 0.117 nan 8.270 nan 0.000 0.513 501 V N 2.805 122.680 119.914 -0.065 0.000 2.364 501 V HA 0.308 4.428 4.120 0.001 0.000 0.272 501 V C 0.085 176.160 176.094 -0.030 0.000 1.036 501 V CA -0.335 61.947 62.300 -0.029 0.000 0.880 501 V CB 0.781 32.581 31.823 -0.039 0.000 0.991 501 V HN 0.228 nan 8.190 nan 0.000 0.460 502 N N 0.000 118.691 118.700 -0.016 0.000 1.763 502 N HA 0.000 4.740 4.740 0.001 0.000 0.220 502 N CA 0.000 53.043 53.050 -0.011 0.000 0.885 502 N CB 0.000 38.476 38.487 -0.018 0.000 1.341 502 N HN 0.000 nan 8.380 nan 0.000 0.667