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 1oco_1_A DATA FIRST_RESID 1 DATA SEQUENCE MFINRWLFST NHKDIGTLYL LFGAWAGMVG TALSLLIRAE LGQPGTLLGD DATA SEQUENCE DQIYNVVVTA HAFVMIFFMV MPIMIGGFGN WLVPLMIGAP DMAFPRMNNM DATA SEQUENCE SFWLLPPSFL LLLASSMVEA GAGTGWTVYP PLAGNLAHAG ASVDLTIFSL DATA SEQUENCE HLAGVSSILG AINFITTIIN MKPPAMSQYQ TPLFVWSVMI TAVLLLLSLP DATA SEQUENCE VLAAGITMLL TDRNLNTTFF DPAGGGDPIL YQHLFWFFGH PEVYILILPG DATA SEQUENCE FGMISHIVTY YSGKKEPFGY MGMVWAMMSI GFLGFIVWAH HMFTVGMDVD DATA SEQUENCE TRAYFTSATM IIAIPTGVKV FSWLATLHGG NIKWSPAMMW ALGFIFLFTV DATA SEQUENCE GGLTGIVLAN SSLDIVLHDT YYVVAHFHYV LSMGAVFAIM GGFVHWFPLF DATA SEQUENCE SGYTLNDTWA KIHFAIMFVG VNMTFFPQHF LGLSGMPRRY SDYPDAYTMW DATA SEQUENCE NTISSMGSFI SLTAVMLMVF IIWEAFASKR EVLTVDLTTT NLEWLNGCPP DATA SEQUENCE PYHTFEEPTY VNLK 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 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.316 176.300 0.026 0.000 1.140 1 M CA 0.000 55.295 55.300 -0.008 0.000 0.988 1 M CB 0.000 32.610 32.600 0.017 0.000 1.302 2 F N 2.412 122.353 119.950 -0.014 0.000 2.187 2 F HA 0.030 4.557 4.527 -0.000 0.000 0.295 2 F C 1.963 177.781 175.800 0.030 0.000 1.091 2 F CA 1.492 59.550 58.000 0.096 0.000 1.308 2 F CB 0.074 39.124 39.000 0.084 0.000 1.030 2 F HN 0.011 nan 8.300 nan 0.000 0.487 3 I N 1.087 121.690 120.570 0.056 0.000 2.099 3 I HA -0.352 3.818 4.170 -0.000 0.000 0.239 3 I C 1.874 177.661 176.117 -0.549 0.000 1.066 3 I CA 1.828 62.955 61.300 -0.287 0.000 1.324 3 I CB -1.805 35.923 38.000 -0.452 0.000 1.037 3 I HN 0.198 nan 8.210 nan 0.000 0.401 4 N N 0.374 118.814 118.700 -0.433 0.000 2.192 4 N HA -0.233 4.507 4.740 -0.000 0.000 0.188 4 N C 1.944 177.312 175.510 -0.236 0.000 1.013 4 N CA 1.354 54.243 53.050 -0.268 0.000 0.863 4 N CB -0.259 38.160 38.487 -0.113 0.000 0.990 4 N HN 0.344 nan 8.380 nan 0.000 0.430 5 R N -0.798 119.478 120.500 -0.372 0.000 2.066 5 R HA 0.024 4.364 4.340 -0.000 0.000 0.224 5 R C 1.102 176.886 176.300 -0.859 0.000 1.122 5 R CA 0.991 56.711 56.100 -0.634 0.000 0.974 5 R CB -0.111 29.705 30.300 -0.807 0.000 0.871 5 R HN 0.272 nan 8.270 nan 0.000 0.435 6 W N -0.316 120.761 121.300 -0.371 0.000 2.872 6 W HA 0.259 4.919 4.660 -0.000 0.000 0.266 6 W C 1.420 177.922 176.519 -0.028 0.000 1.276 6 W CA -0.217 56.938 57.345 -0.318 0.000 1.471 6 W CB 0.425 29.464 29.460 -0.702 0.000 1.071 6 W HN 0.027 nan 8.180 nan 0.000 0.619 7 L N -1.492 119.765 121.223 0.055 0.000 2.537 7 L HA 0.164 4.504 4.340 -0.000 0.000 0.224 7 L C 0.745 177.830 176.870 0.359 0.000 1.065 7 L CA 0.400 55.311 54.840 0.118 0.000 0.860 7 L CB -0.215 41.752 42.059 -0.153 0.000 1.086 7 L HN -0.122 nan 8.230 nan 0.000 0.482 8 F N 0.063 119.994 119.950 -0.030 0.000 2.708 8 F HA 0.288 4.815 4.527 -0.000 0.000 0.300 8 F C 1.354 177.131 175.800 -0.038 0.000 1.118 8 F CA -1.157 56.819 58.000 -0.039 0.000 1.307 8 F CB -0.761 38.206 39.000 -0.056 0.000 0.986 8 F HN -0.180 nan 8.300 nan 0.000 0.522 9 S N 1.032 116.808 115.700 0.126 0.000 2.569 9 S HA 0.220 4.690 4.470 -0.000 0.000 0.274 9 S C 1.039 175.650 174.600 0.019 0.000 1.353 9 S CA 0.906 59.103 58.200 -0.006 0.000 1.023 9 S CB 0.373 63.500 63.200 -0.122 0.000 0.876 9 S HN 0.508 nan 8.310 nan 0.000 0.540 10 T N 0.564 115.099 114.554 -0.031 0.000 3.855 10 T HA 0.295 4.645 4.350 -0.000 0.000 0.313 10 T C -0.562 174.089 174.700 -0.082 0.000 0.938 10 T CA -0.681 61.408 62.100 -0.018 0.000 1.011 10 T CB -0.679 68.202 68.868 0.022 0.000 1.188 10 T HN 0.526 nan 8.240 nan 0.000 0.477 11 N N 1.489 120.068 118.700 -0.203 0.000 2.442 11 N HA 0.183 4.923 4.740 -0.000 0.000 0.274 11 N C 1.102 176.379 175.510 -0.387 0.000 1.002 11 N CA -0.260 52.559 53.050 -0.386 0.000 0.910 11 N CB 1.405 39.431 38.487 -0.769 0.000 1.244 11 N HN 0.609 nan 8.380 nan 0.000 0.492 12 H N 3.192 122.042 119.070 -0.367 0.000 2.426 12 H HA -0.104 4.452 4.556 -0.000 0.000 0.298 12 H C 1.018 176.024 175.328 -0.537 0.000 1.107 12 H CA 1.527 57.363 56.048 -0.354 0.000 1.298 12 H CB 0.354 29.946 29.762 -0.283 0.000 1.377 12 H HN 0.460 nan 8.280 nan 0.000 0.519 13 K N 0.308 119.876 120.400 -1.388 0.000 1.991 13 K HA -0.097 4.223 4.320 -0.000 0.000 0.207 13 K C 1.840 177.796 176.600 -1.074 0.000 1.045 13 K CA 1.253 56.516 56.287 -1.707 0.000 0.937 13 K CB -0.037 31.389 32.500 -1.790 0.000 0.720 13 K HN 0.264 nan 8.250 nan 0.000 0.438 14 D N 1.075 121.023 120.400 -0.754 0.000 2.228 14 D HA -0.152 4.488 4.640 -0.000 0.000 0.203 14 D C 1.813 177.960 176.300 -0.255 0.000 0.988 14 D CA 1.063 54.789 54.000 -0.456 0.000 0.864 14 D CB -0.154 40.184 40.800 -0.769 0.000 0.928 14 D HN 0.227 nan 8.370 nan 0.000 0.469 15 I N 0.294 120.671 120.570 -0.322 0.000 2.277 15 I HA -0.064 4.106 4.170 -0.000 0.000 0.243 15 I C 2.578 178.648 176.117 -0.078 0.000 1.094 15 I CA 0.974 62.150 61.300 -0.207 0.000 1.393 15 I CB -0.461 37.484 38.000 -0.092 0.000 1.078 15 I HN -0.006 nan 8.210 nan 0.000 0.417 16 G N 0.431 109.141 108.800 -0.149 0.000 2.475 16 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.220 16 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.220 16 G C 1.643 176.598 174.900 0.091 0.000 1.125 16 G CA 1.588 46.682 45.100 -0.010 0.000 0.755 16 G HN 0.287 nan 8.290 nan 0.000 0.565 17 T N 0.898 115.462 114.554 0.015 0.000 2.812 17 T HA -0.019 4.331 4.350 -0.000 0.000 0.264 17 T C 2.235 176.946 174.700 0.019 0.000 1.042 17 T CA 0.585 62.768 62.100 0.138 0.000 1.140 17 T CB -0.139 68.871 68.868 0.237 0.000 0.870 17 T HN 0.051 nan 8.240 nan 0.000 0.445 18 L N 0.183 121.329 121.223 -0.128 0.000 2.083 18 L HA 0.011 4.351 4.340 -0.000 0.000 0.209 18 L C 1.950 178.607 176.870 -0.355 0.000 1.083 18 L CA 1.555 56.111 54.840 -0.473 0.000 0.752 18 L CB -1.109 40.331 42.059 -1.032 0.000 0.899 18 L HN 0.309 nan 8.230 nan 0.000 0.433 19 Y N -0.736 119.468 120.300 -0.160 0.000 2.109 19 Y HA -0.214 4.336 4.550 -0.000 0.000 0.285 19 Y C 2.448 178.462 175.900 0.190 0.000 1.131 19 Y CA 1.515 59.716 58.100 0.168 0.000 1.121 19 Y CB -0.503 38.041 38.460 0.140 0.000 0.987 19 Y HN 0.019 nan 8.280 nan 0.000 0.495 20 L N -0.498 120.875 121.223 0.250 0.000 2.089 20 L HA -0.316 4.024 4.340 -0.000 0.000 0.213 20 L C 2.283 179.267 176.870 0.189 0.000 1.079 20 L CA 1.271 56.204 54.840 0.155 0.000 0.758 20 L CB -0.859 41.228 42.059 0.047 0.000 0.891 20 L HN 0.316 nan 8.230 nan 0.000 0.433 21 L N -1.394 119.933 121.223 0.174 0.000 2.027 21 L HA -0.234 4.106 4.340 -0.000 0.000 0.206 21 L C 2.607 179.630 176.870 0.255 0.000 1.074 21 L CA 1.479 56.420 54.840 0.169 0.000 0.745 21 L CB -0.618 41.487 42.059 0.076 0.000 0.898 21 L HN 0.201 nan 8.230 nan 0.000 0.433 22 F N 1.064 121.120 119.950 0.177 0.000 2.051 22 F HA -0.147 4.380 4.527 -0.000 0.000 0.296 22 F C 2.323 178.268 175.800 0.241 0.000 1.122 22 F CA 1.700 59.829 58.000 0.215 0.000 1.201 22 F CB -0.721 38.416 39.000 0.229 0.000 0.978 22 F HN 0.006 nan 8.300 nan 0.000 0.472 23 G N -0.001 109.035 108.800 0.395 0.000 2.529 23 G HA2 -0.377 3.583 3.960 -0.000 0.000 0.219 23 G HA3 -0.377 3.583 3.960 -0.000 0.000 0.219 23 G C 1.807 176.760 174.900 0.089 0.000 1.177 23 G CA 1.332 46.564 45.100 0.220 0.000 0.773 23 G HN 0.681 nan 8.290 nan 0.000 0.573 24 A N -0.482 122.405 122.820 0.112 0.000 1.940 24 A HA -0.078 4.242 4.320 -0.000 0.000 0.219 24 A C 2.174 179.808 177.584 0.082 0.000 1.176 24 A CA 1.722 53.799 52.037 0.067 0.000 0.631 24 A CB -0.691 18.353 19.000 0.073 0.000 0.814 24 A HN 0.587 nan 8.150 nan 0.000 0.446 25 W N 0.324 121.583 121.300 -0.069 0.000 2.378 25 W HA -0.045 4.615 4.660 -0.000 0.000 0.313 25 W C 2.556 179.015 176.519 -0.101 0.000 1.197 25 W CA 2.117 59.418 57.345 -0.073 0.000 1.304 25 W CB -0.297 29.115 29.460 -0.080 0.000 1.148 25 W HN 0.329 nan 8.180 nan 0.000 0.494 26 A N 0.354 123.160 122.820 -0.023 0.000 2.024 26 A HA -0.086 4.234 4.320 -0.000 0.000 0.220 26 A C 2.151 179.663 177.584 -0.120 0.000 1.164 26 A CA 1.911 53.842 52.037 -0.177 0.000 0.643 26 A CB -1.599 17.109 19.000 -0.486 0.000 0.806 26 A HN 0.427 nan 8.150 nan 0.000 0.451 27 G N -1.178 107.569 108.800 -0.089 0.000 2.422 27 G HA2 -0.130 3.830 3.960 -0.000 0.000 0.218 27 G HA3 -0.130 3.830 3.960 -0.000 0.000 0.218 27 G C 1.446 176.294 174.900 -0.086 0.000 1.140 27 G CA 1.087 46.155 45.100 -0.053 0.000 0.775 27 G HN 0.354 nan 8.290 nan 0.000 0.545 28 M N 0.473 119.965 119.600 -0.179 0.000 2.156 28 M HA 0.032 4.512 4.480 -0.000 0.000 0.264 28 M C 2.763 178.926 176.300 -0.227 0.000 1.067 28 M CA 0.662 55.830 55.300 -0.221 0.000 1.131 28 M CB -1.077 31.329 32.600 -0.324 0.000 1.368 28 M HN 0.101 nan 8.290 nan 0.000 0.416 29 V N 0.440 120.171 119.914 -0.305 0.000 2.261 29 V HA -0.200 3.920 4.120 -0.000 0.000 0.246 29 V C 2.621 178.705 176.094 -0.016 0.000 1.047 29 V CA 2.189 64.377 62.300 -0.187 0.000 1.015 29 V CB -1.709 30.050 31.823 -0.106 0.000 0.642 29 V HN 0.566 nan 8.190 nan 0.000 0.446 30 G N -0.995 107.833 108.800 0.046 0.000 2.448 30 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.219 30 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.219 30 G C 1.656 176.657 174.900 0.168 0.000 1.127 30 G CA 1.461 46.649 45.100 0.147 0.000 0.766 30 G HN 0.482 nan 8.290 nan 0.000 0.552 31 T N 1.394 115.988 114.554 0.066 0.000 2.777 31 T HA 0.087 4.437 4.350 -0.000 0.000 0.266 31 T C 2.851 177.552 174.700 0.003 0.000 1.040 31 T CA 1.290 63.419 62.100 0.048 0.000 1.141 31 T CB -0.293 68.576 68.868 0.002 0.000 0.868 31 T HN 0.359 nan 8.240 nan 0.000 0.444 32 A N 1.427 124.230 122.820 -0.028 0.000 1.883 32 A HA -0.025 4.295 4.320 -0.000 0.000 0.217 32 A C 2.286 179.854 177.584 -0.026 0.000 1.186 32 A CA 1.306 53.314 52.037 -0.048 0.000 0.624 32 A CB -0.906 18.057 19.000 -0.062 0.000 0.822 32 A HN 0.475 nan 8.150 nan 0.000 0.444 33 L N 0.465 121.694 121.223 0.009 0.000 2.083 33 L HA -0.181 4.159 4.340 -0.000 0.000 0.209 33 L C 2.971 179.786 176.870 -0.091 0.000 1.083 33 L CA 1.585 56.426 54.840 0.002 0.000 0.752 33 L CB -0.550 41.559 42.059 0.084 0.000 0.899 33 L HN 0.611 nan 8.230 nan 0.000 0.433 34 S N -0.217 115.420 115.700 -0.106 0.000 2.423 34 S HA -0.105 4.365 4.470 -0.000 0.000 0.231 34 S C 1.866 176.399 174.600 -0.112 0.000 1.014 34 S CA 0.805 58.849 58.200 -0.260 0.000 0.965 34 S CB -0.483 62.671 63.200 -0.077 0.000 0.785 34 S HN 0.378 nan 8.310 nan 0.000 0.495 35 L N 0.226 121.410 121.223 -0.065 0.000 2.209 35 L HA 0.172 4.512 4.340 -0.000 0.000 0.207 35 L C 2.468 179.352 176.870 0.024 0.000 1.094 35 L CA 0.555 55.369 54.840 -0.044 0.000 0.790 35 L CB -0.457 41.522 42.059 -0.134 0.000 0.932 35 L HN 0.280 nan 8.230 nan 0.000 0.447 36 L N -0.288 120.942 121.223 0.012 0.000 2.056 36 L HA -0.218 4.122 4.340 -0.000 0.000 0.207 36 L C 2.470 179.398 176.870 0.098 0.000 1.078 36 L CA 1.310 56.184 54.840 0.056 0.000 0.749 36 L CB -0.359 41.721 42.059 0.035 0.000 0.901 36 L HN 0.185 nan 8.230 nan 0.000 0.433 37 I N -0.478 120.113 120.570 0.035 0.000 2.118 37 I HA -0.312 3.858 4.170 -0.000 0.000 0.241 37 I C 2.641 178.882 176.117 0.207 0.000 1.070 37 I CA 1.273 62.635 61.300 0.103 0.000 1.327 37 I CB -0.388 37.578 38.000 -0.056 0.000 1.034 37 I HN 0.280 nan 8.210 nan 0.000 0.405 38 R N 0.847 121.415 120.500 0.114 0.000 2.189 38 R HA 0.013 4.353 4.340 -0.000 0.000 0.218 38 R C 2.212 178.607 176.300 0.157 0.000 1.074 38 R CA 1.166 57.342 56.100 0.126 0.000 0.991 38 R CB -0.758 29.591 30.300 0.081 0.000 0.883 38 R HN 0.390 nan 8.270 nan 0.000 0.457 39 A N 1.467 124.391 122.820 0.174 0.000 1.898 39 A HA -0.203 4.117 4.320 -0.000 0.000 0.216 39 A C 2.138 179.801 177.584 0.130 0.000 1.181 39 A CA 1.644 53.781 52.037 0.168 0.000 0.620 39 A CB -0.290 18.812 19.000 0.169 0.000 0.819 39 A HN 0.257 nan 8.150 nan 0.000 0.442 40 E N 0.192 120.488 120.200 0.159 0.000 2.153 40 E HA -0.096 4.254 4.350 -0.000 0.000 0.194 40 E C 1.454 178.113 176.600 0.098 0.000 0.988 40 E CA 1.276 57.755 56.400 0.131 0.000 0.811 40 E CB -0.329 29.507 29.700 0.226 0.000 0.746 40 E HN 0.584 nan 8.360 nan 0.000 0.466 41 L N -1.020 120.296 121.223 0.156 0.000 2.640 41 L HA 0.341 4.681 4.340 -0.000 0.000 0.230 41 L C 1.960 178.955 176.870 0.209 0.000 1.123 41 L CA 0.311 55.282 54.840 0.218 0.000 0.900 41 L CB 0.333 42.517 42.059 0.208 0.000 1.146 41 L HN 0.198 nan 8.230 nan 0.000 0.484 42 G N -0.607 108.268 108.800 0.125 0.000 2.679 42 G HA2 -0.093 3.867 3.960 -0.000 0.000 0.212 42 G HA3 -0.093 3.867 3.960 -0.000 0.000 0.212 42 G C 0.525 175.473 174.900 0.080 0.000 1.137 42 G CA 0.208 45.355 45.100 0.079 0.000 0.787 42 G HN 0.320 nan 8.290 nan 0.000 0.534 43 Q N -0.369 119.491 119.800 0.100 0.000 2.320 43 Q HA 0.291 4.631 4.340 -0.000 0.000 0.272 43 Q C -3.008 172.986 176.000 -0.010 0.000 1.023 43 Q CA -1.737 54.098 55.803 0.053 0.000 0.855 43 Q CB 2.718 31.457 28.738 0.001 0.000 1.367 43 Q HN -0.080 nan 8.270 nan 0.000 0.406 44 P HA 0.226 nan 4.420 nan 0.000 0.262 44 P C -0.245 176.928 177.300 -0.212 0.000 1.182 44 P CA 1.042 63.979 63.100 -0.271 0.000 0.761 44 P CB 0.540 32.142 31.700 -0.163 0.000 0.795 45 G N 1.920 110.555 108.800 -0.275 0.000 2.318 45 G HA2 0.190 4.150 3.960 -0.000 0.000 0.367 45 G HA3 0.190 4.150 3.960 -0.000 0.000 0.367 45 G C -1.070 173.736 174.900 -0.156 0.000 1.260 45 G CA -0.256 44.737 45.100 -0.177 0.000 1.055 45 G HN 0.679 nan 8.290 nan 0.000 0.484 46 T N -1.495 112.997 114.554 -0.103 0.000 2.824 46 T HA 0.656 5.006 4.350 -0.000 0.000 0.282 46 T C 0.662 175.338 174.700 -0.040 0.000 0.993 46 T CA 0.168 62.220 62.100 -0.080 0.000 0.967 46 T CB 2.036 70.862 68.868 -0.071 0.000 0.960 46 T HN 1.576 nan 8.240 nan 0.000 0.441 47 L N 2.911 124.125 121.223 -0.015 0.000 2.435 47 L HA 0.495 4.835 4.340 -0.000 0.000 0.195 47 L C 1.723 178.611 176.870 0.030 0.000 1.072 47 L CA 0.728 55.576 54.840 0.013 0.000 0.833 47 L CB -0.437 41.642 42.059 0.035 0.000 1.081 47 L HN 0.755 nan 8.230 nan 0.000 0.485 48 L N 0.199 121.453 121.223 0.052 0.000 2.633 48 L HA 0.135 4.475 4.340 -0.000 0.000 0.235 48 L C 1.745 178.644 176.870 0.048 0.000 1.163 48 L CA 0.713 55.594 54.840 0.068 0.000 0.859 48 L CB -1.151 40.980 42.059 0.121 0.000 0.973 48 L HN 0.668 nan 8.230 nan 0.000 0.451 49 G N 0.784 109.599 108.800 0.025 0.000 5.426 49 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.297 49 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.297 49 G C 0.081 174.991 174.900 0.017 0.000 1.422 49 G CA 0.274 45.384 45.100 0.016 0.000 0.938 49 G HN 0.494 nan 8.290 nan 0.000 0.754 50 D N 1.522 121.943 120.400 0.035 0.000 2.185 50 D HA 0.534 5.174 4.640 -0.000 0.000 0.247 50 D C 0.161 176.503 176.300 0.070 0.000 1.027 50 D CA -0.141 53.882 54.000 0.038 0.000 0.861 50 D CB 1.685 42.505 40.800 0.033 0.000 1.202 50 D HN 0.163 nan 8.370 nan 0.000 0.453 51 D N 0.628 121.063 120.400 0.059 0.000 2.218 51 D HA -0.191 4.449 4.640 -0.000 0.000 0.204 51 D C 1.736 178.128 176.300 0.153 0.000 0.976 51 D CA 1.247 55.307 54.000 0.100 0.000 0.853 51 D CB 0.132 40.961 40.800 0.049 0.000 0.939 51 D HN 0.487 nan 8.370 nan 0.000 0.481 52 Q N 0.111 119.974 119.800 0.105 0.000 2.124 52 Q HA -0.111 4.229 4.340 -0.000 0.000 0.202 52 Q C 1.715 177.792 176.000 0.128 0.000 0.977 52 Q CA 1.055 56.924 55.803 0.110 0.000 0.850 52 Q CB -0.142 28.634 28.738 0.062 0.000 0.901 52 Q HN 0.191 nan 8.270 nan 0.000 0.429 53 I N 0.101 120.743 120.570 0.121 0.000 2.286 53 I HA -0.236 3.934 4.170 -0.000 0.000 0.248 53 I C 2.021 178.221 176.117 0.139 0.000 1.115 53 I CA 1.258 62.626 61.300 0.114 0.000 1.392 53 I CB -1.398 36.662 38.000 0.100 0.000 1.065 53 I HN 0.332 nan 8.210 nan 0.000 0.418 54 Y N 2.537 122.878 120.300 0.067 0.000 2.163 54 Y HA -0.233 4.317 4.550 -0.000 0.000 0.288 54 Y C 2.354 178.310 175.900 0.093 0.000 1.136 54 Y CA 1.769 59.916 58.100 0.078 0.000 1.147 54 Y CB -0.266 38.242 38.460 0.080 0.000 0.987 54 Y HN 0.202 nan 8.280 nan 0.000 0.509 55 N N -0.192 118.597 118.700 0.149 0.000 2.188 55 N HA -0.158 4.582 4.740 -0.000 0.000 0.184 55 N C 1.970 177.496 175.510 0.026 0.000 1.018 55 N CA 1.535 54.633 53.050 0.080 0.000 0.858 55 N CB -0.697 37.893 38.487 0.171 0.000 0.989 55 N HN 0.299 nan 8.380 nan 0.000 0.426 56 V N 0.540 120.492 119.914 0.062 0.000 2.343 56 V HA -0.156 3.964 4.120 -0.000 0.000 0.247 56 V C 2.362 178.476 176.094 0.034 0.000 1.051 56 V CA 1.103 63.446 62.300 0.071 0.000 1.036 56 V CB -0.430 31.445 31.823 0.087 0.000 0.654 56 V HN 0.073 nan 8.190 nan 0.000 0.451 57 V N -0.498 119.400 119.914 -0.027 0.000 2.270 57 V HA -0.212 3.908 4.120 -0.000 0.000 0.245 57 V C 2.424 178.462 176.094 -0.093 0.000 1.043 57 V CA 1.947 64.211 62.300 -0.060 0.000 1.014 57 V CB -0.264 31.498 31.823 -0.101 0.000 0.645 57 V HN 0.393 nan 8.190 nan 0.000 0.447 58 V N -0.202 119.574 119.914 -0.231 0.000 2.392 58 V HA -0.293 3.827 4.120 -0.000 0.000 0.249 58 V C 2.550 178.652 176.094 0.013 0.000 1.059 58 V CA 2.669 64.881 62.300 -0.147 0.000 1.051 58 V CB -0.912 30.785 31.823 -0.210 0.000 0.658 58 V HN 0.630 nan 8.190 nan 0.000 0.455 59 T N 0.231 114.787 114.554 0.003 0.000 2.701 59 T HA -0.143 4.207 4.350 -0.000 0.000 0.263 59 T C 2.069 176.788 174.700 0.032 0.000 1.040 59 T CA 1.628 63.721 62.100 -0.012 0.000 1.147 59 T CB -0.450 68.438 68.868 0.034 0.000 0.865 59 T HN 0.574 nan 8.240 nan 0.000 0.426 60 A N 1.145 124.059 122.820 0.157 0.000 1.940 60 A HA -0.193 4.127 4.320 -0.000 0.000 0.219 60 A C 1.974 179.717 177.584 0.265 0.000 1.176 60 A CA 2.386 54.585 52.037 0.269 0.000 0.631 60 A CB -0.999 18.132 19.000 0.218 0.000 0.814 60 A HN 0.717 nan 8.150 nan 0.000 0.446 61 H N 0.262 119.375 119.070 0.072 0.000 2.289 61 H HA -0.066 4.490 4.556 -0.000 0.000 0.296 61 H C 2.130 177.472 175.328 0.025 0.000 1.091 61 H CA 2.397 58.480 56.048 0.059 0.000 1.274 61 H CB -0.419 29.362 29.762 0.033 0.000 1.364 61 H HN 0.367 nan 8.280 nan 0.000 0.490 62 A N -0.136 122.625 122.820 -0.098 0.000 1.902 62 A HA -0.108 4.212 4.320 -0.000 0.000 0.217 62 A C 2.199 179.627 177.584 -0.260 0.000 1.181 62 A CA 1.567 53.352 52.037 -0.420 0.000 0.623 62 A CB -1.005 17.660 19.000 -0.560 0.000 0.818 62 A HN 0.458 nan 8.150 nan 0.000 0.443 63 F N -0.296 119.700 119.950 0.076 0.000 2.146 63 F HA -0.085 4.442 4.527 -0.000 0.000 0.298 63 F C 2.520 178.446 175.800 0.210 0.000 1.096 63 F CA 0.893 59.016 58.000 0.206 0.000 1.275 63 F CB -0.981 38.165 39.000 0.243 0.000 1.008 63 F HN 0.015 nan 8.300 nan 0.000 0.480 64 V N -0.093 120.099 119.914 0.465 0.000 2.261 64 V HA -0.327 3.793 4.120 -0.000 0.000 0.246 64 V C 2.521 178.714 176.094 0.164 0.000 1.047 64 V CA 1.616 64.182 62.300 0.443 0.000 1.015 64 V CB -0.529 31.535 31.823 0.402 0.000 0.642 64 V HN 0.212 nan 8.190 nan 0.000 0.446 65 M N -1.014 118.582 119.600 -0.006 0.000 2.086 65 M HA -0.108 4.372 4.480 -0.000 0.000 0.261 65 M C 2.169 178.375 176.300 -0.156 0.000 1.067 65 M CA 1.978 57.207 55.300 -0.118 0.000 1.116 65 M CB -0.969 31.459 32.600 -0.286 0.000 1.348 65 M HN 0.269 nan 8.290 nan 0.000 0.407 66 I N -0.736 119.702 120.570 -0.220 0.000 2.094 66 I HA -0.275 3.895 4.170 -0.000 0.000 0.234 66 I C 2.171 178.071 176.117 -0.362 0.000 1.063 66 I CA 1.459 62.550 61.300 -0.348 0.000 1.328 66 I CB -0.431 37.270 38.000 -0.498 0.000 1.058 66 I HN 0.060 nan 8.210 nan 0.000 0.400 67 F N -0.408 119.374 119.950 -0.280 0.000 2.456 67 F HA -0.060 4.467 4.527 -0.000 0.000 0.298 67 F C 1.651 177.074 175.800 -0.629 0.000 1.104 67 F CA 0.961 58.654 58.000 -0.512 0.000 1.435 67 F CB -0.166 38.362 39.000 -0.786 0.000 1.078 67 F HN -0.023 nan 8.300 nan 0.000 0.546 68 F N -2.413 117.633 119.950 0.160 0.000 2.706 68 F HA 0.256 4.783 4.527 -0.000 0.000 0.308 68 F C 1.614 177.424 175.800 0.016 0.000 1.095 68 F CA -0.087 57.960 58.000 0.078 0.000 1.244 68 F CB -0.086 38.702 39.000 -0.353 0.000 1.063 68 F HN -0.112 nan 8.300 nan 0.000 0.582 69 M N -0.978 118.690 119.600 0.114 0.000 3.204 69 M HA 0.081 4.561 4.480 -0.000 0.000 0.189 69 M C 1.972 178.312 176.300 0.067 0.000 1.723 69 M CA 0.770 56.115 55.300 0.074 0.000 1.510 69 M CB -0.418 32.193 32.600 0.017 0.000 0.954 69 M HN -0.169 nan 8.290 nan 0.000 0.583 70 V N 2.152 122.062 119.914 -0.007 0.000 2.233 70 V HA -0.396 3.724 4.120 -0.000 0.000 0.252 70 V C 2.502 178.592 176.094 -0.006 0.000 1.063 70 V CA 2.633 64.919 62.300 -0.022 0.000 1.032 70 V CB -0.875 30.884 31.823 -0.106 0.000 0.645 70 V HN 0.578 nan 8.190 nan 0.000 0.446 71 M N -0.971 118.594 119.600 -0.057 0.000 2.067 71 M HA -0.116 4.364 4.480 -0.000 0.000 0.260 71 M C 0.106 176.434 176.300 0.047 0.000 1.069 71 M CA 2.414 57.685 55.300 -0.048 0.000 1.117 71 M CB -1.519 31.005 32.600 -0.127 0.000 1.334 71 M HN 0.285 nan 8.290 nan 0.000 0.407 72 P HA -0.159 nan 4.420 nan 0.000 0.214 72 P C 1.412 178.827 177.300 0.192 0.000 1.163 72 P CA 1.433 64.722 63.100 0.315 0.000 0.889 72 P CB -0.124 31.928 31.700 0.587 0.000 0.790 73 I N -1.771 118.928 120.570 0.215 0.000 2.052 73 I HA -0.319 3.851 4.170 -0.000 0.000 0.235 73 I C 2.520 178.787 176.117 0.250 0.000 1.046 73 I CA 1.914 63.332 61.300 0.196 0.000 1.308 73 I CB -0.604 37.525 38.000 0.215 0.000 1.031 73 I HN -0.080 nan 8.210 nan 0.000 0.395 74 M N -0.305 119.453 119.600 0.264 0.000 2.117 74 M HA -0.204 4.276 4.480 -0.000 0.000 0.262 74 M C 2.234 178.655 176.300 0.201 0.000 1.065 74 M CA 2.050 57.538 55.300 0.313 0.000 1.114 74 M CB -0.252 32.439 32.600 0.152 0.000 1.361 74 M HN 0.244 nan 8.290 nan 0.000 0.408 75 I N -1.457 119.118 120.570 0.009 0.000 2.512 75 I HA 0.015 4.185 4.170 -0.000 0.000 0.247 75 I C 2.569 178.583 176.117 -0.172 0.000 1.094 75 I CA 0.892 62.103 61.300 -0.149 0.000 1.427 75 I CB -0.754 37.099 38.000 -0.244 0.000 1.149 75 I HN 0.250 nan 8.210 nan 0.000 0.438 76 G N 0.477 109.023 108.800 -0.424 0.000 2.408 76 G HA2 -0.097 3.863 3.960 -0.000 0.000 0.217 76 G HA3 -0.097 3.863 3.960 -0.000 0.000 0.217 76 G C 1.534 176.111 174.900 -0.538 0.000 1.150 76 G CA 0.860 45.281 45.100 -1.131 0.000 0.776 76 G HN 0.476 nan 8.290 nan 0.000 0.542 77 G N 0.549 109.235 108.800 -0.189 0.000 2.654 77 G HA2 0.068 4.028 3.960 -0.000 0.000 0.215 77 G HA3 0.068 4.028 3.960 -0.000 0.000 0.215 77 G C 1.436 176.281 174.900 -0.091 0.000 1.310 77 G CA 0.517 45.563 45.100 -0.090 0.000 0.866 77 G HN 0.215 nan 8.290 nan 0.000 0.558 78 F N 2.071 122.082 119.950 0.101 0.000 2.192 78 F HA -0.021 4.506 4.527 -0.000 0.000 0.301 78 F C 2.888 178.842 175.800 0.256 0.000 1.079 78 F CA 1.055 59.115 58.000 0.100 0.000 1.303 78 F CB -0.727 38.291 39.000 0.029 0.000 1.024 78 F HN 0.224 nan 8.300 nan 0.000 0.494 79 G N -0.074 108.970 108.800 0.406 0.000 2.433 79 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.216 79 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.216 79 G C 1.719 176.925 174.900 0.510 0.000 1.186 79 G CA 0.991 46.322 45.100 0.386 0.000 0.779 79 G HN 0.265 nan 8.290 nan 0.000 0.543 80 N N -0.324 118.590 118.700 0.356 0.000 2.188 80 N HA -0.074 4.666 4.740 -0.000 0.000 0.184 80 N C 1.906 177.573 175.510 0.261 0.000 1.018 80 N CA 0.728 53.899 53.050 0.202 0.000 0.858 80 N CB -0.231 38.297 38.487 0.068 0.000 0.989 80 N HN 0.566 nan 8.380 nan 0.000 0.426 81 W N 1.430 122.765 121.300 0.058 0.000 2.378 81 W HA 0.017 4.677 4.660 -0.000 0.000 0.313 81 W C 2.032 178.631 176.519 0.134 0.000 1.197 81 W CA 0.641 57.990 57.345 0.007 0.000 1.304 81 W CB -0.203 29.091 29.460 -0.277 0.000 1.148 81 W HN -0.019 nan 8.180 nan 0.000 0.494 82 L N -1.209 120.251 121.223 0.396 0.000 2.307 82 L HA -0.076 4.264 4.340 -0.000 0.000 0.211 82 L C 1.969 178.968 176.870 0.215 0.000 1.099 82 L CA 0.084 55.041 54.840 0.195 0.000 0.816 82 L CB -1.053 40.917 42.059 -0.149 0.000 0.952 82 L HN -0.167 nan 8.230 nan 0.000 0.455 83 V N 0.788 120.861 119.914 0.264 0.000 2.261 83 V HA -0.153 3.967 4.120 -0.000 0.000 0.246 83 V C -0.096 176.007 176.094 0.014 0.000 1.047 83 V CA 2.064 64.465 62.300 0.168 0.000 1.015 83 V CB -1.491 30.463 31.823 0.219 0.000 0.642 83 V HN 0.304 nan 8.190 nan 0.000 0.446 84 P HA -0.127 nan 4.420 nan 0.000 0.216 84 P C 1.914 179.132 177.300 -0.137 0.000 1.150 84 P CA 1.398 64.323 63.100 -0.292 0.000 0.837 84 P CB -0.061 31.156 31.700 -0.804 0.000 0.786 85 L N -1.937 119.326 121.223 0.067 0.000 2.046 85 L HA -0.135 4.205 4.340 -0.000 0.000 0.208 85 L C 2.382 179.332 176.870 0.132 0.000 1.077 85 L CA 1.563 56.541 54.840 0.229 0.000 0.747 85 L CB -0.861 41.376 42.059 0.296 0.000 0.896 85 L HN 0.018 nan 8.230 nan 0.000 0.432 86 M N -0.150 119.510 119.600 0.100 0.000 2.394 86 M HA -0.063 4.417 4.480 -0.000 0.000 0.264 86 M C 1.853 178.170 176.300 0.027 0.000 1.073 86 M CA 1.366 56.736 55.300 0.116 0.000 1.111 86 M CB -0.107 32.608 32.600 0.192 0.000 1.401 86 M HN 0.343 nan 8.290 nan 0.000 0.448 87 I N -3.918 116.603 120.570 -0.081 0.000 4.082 87 I HA 0.487 4.657 4.170 -0.000 0.000 0.337 87 I C 0.906 176.844 176.117 -0.299 0.000 1.352 87 I CA 0.129 61.341 61.300 -0.146 0.000 1.097 87 I CB -0.039 37.873 38.000 -0.147 0.000 1.048 87 I HN 0.345 nan 8.210 nan 0.000 0.393 88 G N 1.975 110.464 108.800 -0.519 0.000 2.147 88 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.244 88 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.244 88 G C 0.298 174.636 174.900 -0.937 0.000 1.005 88 G CA 0.084 44.501 45.100 -1.139 0.000 0.713 88 G HN 0.913 nan 8.290 nan 0.000 0.515 89 A N 0.272 122.763 122.820 -0.549 0.000 2.302 89 A HA 0.826 5.146 4.320 -0.000 0.000 0.285 89 A C -0.062 177.411 177.584 -0.184 0.000 1.105 89 A CA -0.745 51.098 52.037 -0.323 0.000 0.816 89 A CB 0.977 19.811 19.000 -0.276 0.000 1.067 89 A HN 0.109 nan 8.150 nan 0.000 0.489 90 P HA -0.006 nan 4.420 nan 0.000 0.222 90 P C 0.105 177.388 177.300 -0.028 0.000 1.153 90 P CA 1.124 64.240 63.100 0.027 0.000 0.798 90 P CB 0.351 32.047 31.700 -0.006 0.000 0.796 91 D N -2.927 117.373 120.400 -0.167 0.000 2.918 91 D HA 0.097 4.737 4.640 -0.000 0.000 0.342 91 D C -0.696 175.429 176.300 -0.293 0.000 1.403 91 D CA -0.519 53.339 54.000 -0.237 0.000 0.776 91 D CB 0.413 41.168 40.800 -0.076 0.000 1.365 91 D HN -0.338 nan 8.370 nan 0.000 0.468 92 M N 1.157 120.591 119.600 -0.276 0.000 2.226 92 M HA 0.292 4.772 4.480 -0.000 0.000 0.324 92 M C 1.347 177.452 176.300 -0.326 0.000 1.112 92 M CA 0.161 55.273 55.300 -0.314 0.000 1.176 92 M CB 0.367 32.786 32.600 -0.301 0.000 1.430 92 M HN 0.616 nan 8.290 nan 0.000 0.462 93 A N 1.975 124.516 122.820 -0.464 0.000 1.933 93 A HA -0.076 4.244 4.320 -0.000 0.000 0.218 93 A C 0.488 177.581 177.584 -0.818 0.000 1.175 93 A CA 1.555 53.156 52.037 -0.727 0.000 0.628 93 A CB -0.322 18.038 19.000 -1.066 0.000 0.814 93 A HN 0.608 nan 8.150 nan 0.000 0.444 94 F N -1.206 118.683 119.950 -0.102 0.000 2.453 94 F HA 0.383 4.910 4.527 -0.000 0.000 0.358 94 F C -2.076 173.683 175.800 -0.067 0.000 1.129 94 F CA -2.630 55.327 58.000 -0.071 0.000 1.200 94 F CB 1.002 39.968 39.000 -0.057 0.000 1.431 94 F HN -0.002 nan 8.300 nan 0.000 0.503 95 P HA -0.192 nan 4.420 nan 0.000 0.214 95 P C 1.966 179.293 177.300 0.046 0.000 1.163 95 P CA 1.636 64.742 63.100 0.011 0.000 0.889 95 P CB 0.286 31.984 31.700 -0.004 0.000 0.790 96 R N -0.927 119.609 120.500 0.061 0.000 2.073 96 R HA -0.103 4.237 4.340 -0.000 0.000 0.234 96 R C 2.394 178.738 176.300 0.072 0.000 1.134 96 R CA 1.742 57.875 56.100 0.055 0.000 0.952 96 R CB -0.844 29.477 30.300 0.035 0.000 0.850 96 R HN 0.156 nan 8.270 nan 0.000 0.433 97 M N 0.736 120.387 119.600 0.084 0.000 2.108 97 M HA -0.232 4.248 4.480 -0.000 0.000 0.261 97 M C 1.820 178.180 176.300 0.099 0.000 1.066 97 M CA 1.903 57.247 55.300 0.074 0.000 1.107 97 M CB -0.265 32.366 32.600 0.051 0.000 1.356 97 M HN 0.049 nan 8.290 nan 0.000 0.406 98 N N 0.837 119.598 118.700 0.103 0.000 2.192 98 N HA -0.238 4.502 4.740 -0.000 0.000 0.188 98 N C 1.302 176.899 175.510 0.146 0.000 1.013 98 N CA 1.904 55.013 53.050 0.099 0.000 0.863 98 N CB -0.471 38.034 38.487 0.030 0.000 0.990 98 N HN 0.459 nan 8.380 nan 0.000 0.430 99 N N -0.149 118.635 118.700 0.141 0.000 2.188 99 N HA -0.068 4.672 4.740 -0.000 0.000 0.184 99 N C 1.746 177.426 175.510 0.283 0.000 1.018 99 N CA 0.915 54.092 53.050 0.211 0.000 0.858 99 N CB -0.231 38.388 38.487 0.220 0.000 0.989 99 N HN 0.348 nan 8.380 nan 0.000 0.426 100 M N -0.321 119.404 119.600 0.208 0.000 2.117 100 M HA -0.119 4.361 4.480 -0.000 0.000 0.262 100 M C 1.710 178.094 176.300 0.140 0.000 1.065 100 M CA 1.251 56.664 55.300 0.188 0.000 1.114 100 M CB -0.083 32.581 32.600 0.106 0.000 1.361 100 M HN 0.069 nan 8.290 nan 0.000 0.408 101 S N 0.318 116.101 115.700 0.138 0.000 2.402 101 S HA -0.196 4.274 4.470 -0.000 0.000 0.233 101 S C 1.453 176.092 174.600 0.066 0.000 1.030 101 S CA 1.671 59.956 58.200 0.142 0.000 1.003 101 S CB -0.621 62.714 63.200 0.225 0.000 0.813 101 S HN 0.616 nan 8.310 nan 0.000 0.477 102 F N 0.606 120.468 119.950 -0.146 0.000 2.094 102 F HA 0.045 4.572 4.527 -0.000 0.000 0.291 102 F C 1.692 177.141 175.800 -0.585 0.000 1.109 102 F CA 0.832 58.449 58.000 -0.639 0.000 1.221 102 F CB -0.655 37.769 39.000 -0.960 0.000 1.014 102 F HN 0.169 nan 8.300 nan 0.000 0.473 103 W N 0.785 121.945 121.300 -0.233 0.000 2.480 103 W HA -0.124 4.536 4.660 -0.000 0.000 0.257 103 W C 2.010 178.362 176.519 -0.278 0.000 1.235 103 W CA 0.577 57.773 57.345 -0.248 0.000 1.218 103 W CB -0.409 29.058 29.460 0.013 0.000 1.131 103 W HN 0.102 nan 8.180 nan 0.000 0.606 104 L N -1.003 120.158 121.223 -0.104 0.000 2.240 104 L HA -0.165 4.175 4.340 -0.000 0.000 0.211 104 L C 2.146 178.932 176.870 -0.140 0.000 1.106 104 L CA 0.290 55.095 54.840 -0.058 0.000 0.793 104 L CB -0.505 41.549 42.059 -0.009 0.000 0.927 104 L HN -0.004 nan 8.230 nan 0.000 0.446 105 L N 0.194 121.174 121.223 -0.406 0.000 2.027 105 L HA -0.096 4.244 4.340 -0.000 0.000 0.206 105 L C -0.253 176.376 176.870 -0.401 0.000 1.074 105 L CA 2.165 56.706 54.840 -0.499 0.000 0.745 105 L CB -1.724 39.673 42.059 -1.103 0.000 0.898 105 L HN 0.078 nan 8.230 nan 0.000 0.433 106 P HA -0.086 nan 4.420 nan 0.000 0.215 106 P C -1.317 176.030 177.300 0.078 0.000 1.157 106 P CA 1.655 64.744 63.100 -0.019 0.000 0.863 106 P CB -0.822 30.887 31.700 0.015 0.000 0.787 107 P HA -0.135 nan 4.420 nan 0.000 0.217 107 P C 1.854 179.202 177.300 0.080 0.000 1.150 107 P CA 1.643 64.781 63.100 0.063 0.000 0.832 107 P CB -0.453 31.278 31.700 0.051 0.000 0.787 108 S N -1.649 114.109 115.700 0.098 0.000 2.383 108 S HA -0.190 4.280 4.470 -0.000 0.000 0.229 108 S C 1.812 176.522 174.600 0.184 0.000 1.030 108 S CA 0.986 59.295 58.200 0.182 0.000 1.002 108 S CB -0.996 62.381 63.200 0.296 0.000 0.829 108 S HN -0.077 nan 8.310 nan 0.000 0.467 109 F N 1.579 121.403 119.950 -0.209 0.000 2.259 109 F HA 0.146 4.673 4.527 -0.000 0.000 0.298 109 F C 1.831 177.554 175.800 -0.129 0.000 1.088 109 F CA 0.473 58.206 58.000 -0.445 0.000 1.358 109 F CB -0.952 37.800 39.000 -0.413 0.000 1.040 109 F HN 0.277 nan 8.300 nan 0.000 0.505 110 L N 0.126 121.357 121.223 0.014 0.000 2.046 110 L HA -0.195 4.145 4.340 -0.000 0.000 0.208 110 L C 2.194 179.052 176.870 -0.020 0.000 1.077 110 L CA 1.770 56.585 54.840 -0.042 0.000 0.747 110 L CB -0.940 41.124 42.059 0.009 0.000 0.896 110 L HN 0.134 nan 8.230 nan 0.000 0.432 111 L N -1.337 119.909 121.223 0.038 0.000 2.042 111 L HA -0.234 4.106 4.340 -0.000 0.000 0.210 111 L C 2.511 179.414 176.870 0.055 0.000 1.076 111 L CA 1.303 56.182 54.840 0.066 0.000 0.749 111 L CB -0.709 41.418 42.059 0.113 0.000 0.893 111 L HN 0.357 nan 8.230 nan 0.000 0.432 112 L N -0.403 120.862 121.223 0.069 0.000 2.093 112 L HA -0.177 4.163 4.340 -0.000 0.000 0.208 112 L C 2.294 179.179 176.870 0.026 0.000 1.085 112 L CA 1.548 56.444 54.840 0.094 0.000 0.755 112 L CB -0.201 42.011 42.059 0.255 0.000 0.904 112 L HN 0.097 nan 8.230 nan 0.000 0.435 113 L N -0.817 120.348 121.223 -0.096 0.000 2.072 113 L HA -0.118 4.222 4.340 -0.000 0.000 0.205 113 L C 2.702 179.548 176.870 -0.041 0.000 1.079 113 L CA 1.049 55.814 54.840 -0.125 0.000 0.752 113 L CB -0.859 41.050 42.059 -0.250 0.000 0.906 113 L HN 0.346 nan 8.230 nan 0.000 0.436 114 A N 0.089 122.896 122.820 -0.023 0.000 1.940 114 A HA -0.262 4.058 4.320 -0.000 0.000 0.219 114 A C 2.539 180.139 177.584 0.027 0.000 1.176 114 A CA 2.104 54.145 52.037 0.008 0.000 0.631 114 A CB -0.801 18.212 19.000 0.021 0.000 0.814 114 A HN 0.525 nan 8.150 nan 0.000 0.446 115 S N 0.539 116.261 115.700 0.037 0.000 2.400 115 S HA -0.162 4.308 4.470 -0.000 0.000 0.232 115 S C 1.896 176.530 174.600 0.056 0.000 1.025 115 S CA 1.886 60.115 58.200 0.049 0.000 0.993 115 S CB -0.794 62.437 63.200 0.052 0.000 0.808 115 S HN 0.948 nan 8.310 nan 0.000 0.478 116 S N 0.164 115.896 115.700 0.053 0.000 2.593 116 S HA 0.291 4.761 4.470 -0.000 0.000 0.217 116 S C 1.673 176.299 174.600 0.042 0.000 0.966 116 S CA 0.033 58.267 58.200 0.057 0.000 0.914 116 S CB -0.230 63.005 63.200 0.058 0.000 0.776 116 S HN 0.417 nan 8.310 nan 0.000 0.523 117 M N 1.765 121.385 119.600 0.033 0.000 2.557 117 M HA 0.228 4.708 4.480 -0.000 0.000 0.262 117 M C 1.086 177.406 176.300 0.032 0.000 1.168 117 M CA 0.548 55.865 55.300 0.027 0.000 1.194 117 M CB -0.588 32.022 32.600 0.017 0.000 1.311 117 M HN 0.378 nan 8.290 nan 0.000 0.489 118 V N 0.131 120.067 119.914 0.036 0.000 2.881 118 V HA 0.237 4.357 4.120 -0.000 0.000 0.303 118 V C 0.721 176.842 176.094 0.044 0.000 1.070 118 V CA -0.936 61.387 62.300 0.038 0.000 1.074 118 V CB 0.472 32.319 31.823 0.041 0.000 1.012 118 V HN 0.582 nan 8.190 nan 0.000 0.482 119 E N 2.375 122.598 120.200 0.039 0.000 3.492 119 E HA -0.342 4.008 4.350 -0.000 0.000 0.303 119 E C 1.003 177.628 176.600 0.042 0.000 1.507 119 E CA 1.850 58.273 56.400 0.039 0.000 2.055 119 E CB -1.587 28.141 29.700 0.048 0.000 1.950 119 E HN 1.503 nan 8.360 nan 0.000 0.470 120 A N 1.397 124.245 122.820 0.047 0.000 2.379 120 A HA 0.472 4.792 4.320 -0.000 0.000 0.236 120 A C 1.033 178.668 177.584 0.086 0.000 1.272 120 A CA 1.618 53.686 52.037 0.051 0.000 0.886 120 A CB -0.431 18.584 19.000 0.025 0.000 0.962 120 A HN 1.401 nan 8.150 nan 0.000 0.504 121 G N -1.182 107.676 108.800 0.096 0.000 2.750 121 G HA2 0.266 4.226 3.960 -0.000 0.000 0.228 121 G HA3 0.266 4.226 3.960 -0.000 0.000 0.228 121 G C 0.113 175.120 174.900 0.178 0.000 1.367 121 G CA -0.281 44.887 45.100 0.113 0.000 0.871 121 G HN 1.728 nan 8.290 nan 0.000 0.560 122 A N 0.201 123.108 122.820 0.144 0.000 2.511 122 A HA 0.739 5.059 4.320 -0.000 0.000 0.340 122 A C 0.737 178.377 177.584 0.094 0.000 1.396 122 A CA 0.842 52.929 52.037 0.083 0.000 0.887 122 A CB 0.303 19.297 19.000 -0.011 0.000 1.145 122 A HN 2.290 nan 8.150 nan 0.000 0.497 123 G N 1.495 110.459 108.800 0.272 0.000 3.161 123 G HA2 0.392 4.352 3.960 -0.000 0.000 0.293 123 G HA3 0.392 4.352 3.960 -0.000 0.000 0.293 123 G C 0.658 175.635 174.900 0.128 0.000 0.893 123 G CA 0.489 45.703 45.100 0.190 0.000 1.756 123 G HN 0.799 nan 8.290 nan 0.000 0.549 124 T N -1.921 112.614 114.554 -0.032 0.000 3.004 124 T HA 0.513 4.863 4.350 -0.000 0.000 0.266 124 T C 1.093 175.727 174.700 -0.110 0.000 0.986 124 T CA 0.468 62.505 62.100 -0.105 0.000 0.902 124 T CB 0.586 69.301 68.868 -0.256 0.000 1.118 124 T HN 1.704 nan 8.240 nan 0.000 0.522 125 G N 1.773 110.531 108.800 -0.069 0.000 2.712 125 G HA2 -0.144 3.816 3.960 -0.000 0.000 0.686 125 G HA3 -0.144 3.816 3.960 -0.000 0.000 0.686 125 G C 0.263 175.063 174.900 -0.166 0.000 1.321 125 G CA -0.253 44.789 45.100 -0.097 0.000 0.813 125 G HN 0.639 nan 8.290 nan 0.000 0.599 126 W N 0.443 121.503 121.300 -0.401 0.000 2.825 126 W HA 0.017 4.677 4.660 -0.000 0.000 0.243 126 W C 1.474 177.798 176.519 -0.326 0.000 1.293 126 W CA 1.796 58.735 57.345 -0.676 0.000 1.403 126 W CB -1.272 27.694 29.460 -0.823 0.000 1.134 126 W HN 1.079 nan 8.180 nan 0.000 0.666 127 T N -0.974 113.009 114.554 -0.951 0.000 3.113 127 T HA 0.002 4.352 4.350 -0.000 0.000 0.256 127 T C 1.308 175.471 174.700 -0.896 0.000 1.131 127 T CA 0.491 61.702 62.100 -1.481 0.000 1.074 127 T CB -0.667 67.218 68.868 -1.639 0.000 0.944 127 T HN 0.226 nan 8.240 nan 0.000 0.516 128 V N 2.069 121.710 119.914 -0.455 0.000 5.342 128 V HA -0.217 3.903 4.120 -0.000 0.000 0.236 128 V C -0.721 175.136 176.094 -0.395 0.000 0.696 128 V CA 0.223 62.355 62.300 -0.281 0.000 0.609 128 V CB -2.196 29.575 31.823 -0.087 0.000 0.315 128 V HN 0.577 nan 8.190 nan 0.000 0.632 129 Y N 3.735 123.731 120.300 -0.506 0.000 2.411 129 Y HA 0.542 5.092 4.550 -0.000 0.000 0.333 129 Y C -1.076 174.492 175.900 -0.553 0.000 1.186 129 Y CA -2.675 55.036 58.100 -0.648 0.000 1.381 129 Y CB 0.515 38.797 38.460 -0.296 0.000 1.273 129 Y HN 0.360 nan 8.280 nan 0.000 0.546 130 P HA 0.285 nan 4.420 nan 0.000 0.283 130 P C -2.384 174.845 177.300 -0.119 0.000 1.271 130 P CA -2.011 60.925 63.100 -0.273 0.000 0.841 130 P CB 1.787 33.298 31.700 -0.315 0.000 1.122 131 P HA -0.045 nan 4.420 nan 0.000 0.223 131 P C 1.640 178.954 177.300 0.023 0.000 1.151 131 P CA 0.354 63.458 63.100 0.007 0.000 0.787 131 P CB -0.128 31.593 31.700 0.035 0.000 0.788 132 L N 0.351 121.595 121.223 0.034 0.000 2.081 132 L HA -0.152 4.188 4.340 -0.000 0.000 0.212 132 L C 2.014 178.962 176.870 0.129 0.000 1.080 132 L CA 2.111 57.010 54.840 0.099 0.000 0.754 132 L CB -1.433 40.682 42.059 0.093 0.000 0.893 132 L HN -0.068 nan 8.230 nan 0.000 0.433 133 A N -0.886 121.907 122.820 -0.044 0.000 2.167 133 A HA 0.325 4.645 4.320 -0.000 0.000 0.214 133 A C 1.553 179.102 177.584 -0.058 0.000 1.151 133 A CA 0.508 52.459 52.037 -0.144 0.000 0.735 133 A CB -1.284 17.556 19.000 -0.266 0.000 0.802 133 A HN 0.502 nan 8.150 nan 0.000 0.467 134 G N 0.234 109.032 108.800 -0.003 0.000 2.583 134 G HA2 0.181 4.141 3.960 -0.000 0.000 0.275 134 G HA3 0.181 4.141 3.960 -0.000 0.000 0.275 134 G C 0.541 175.477 174.900 0.059 0.000 1.342 134 G CA 0.224 45.341 45.100 0.028 0.000 1.030 134 G HN 0.528 nan 8.290 nan 0.000 0.520 135 N N -0.872 117.858 118.700 0.050 0.000 2.398 135 N HA 0.010 4.750 4.740 -0.000 0.000 0.188 135 N C 1.372 176.907 175.510 0.041 0.000 1.122 135 N CA 0.130 53.209 53.050 0.048 0.000 0.866 135 N CB 0.246 38.756 38.487 0.038 0.000 0.970 135 N HN 0.256 nan 8.380 nan 0.000 0.462 136 L N 0.340 121.587 121.223 0.040 0.000 2.194 136 L HA 0.357 4.697 4.340 -0.000 0.000 0.197 136 L C 2.040 178.921 176.870 0.018 0.000 1.106 136 L CA 1.352 56.208 54.840 0.027 0.000 0.785 136 L CB -1.340 40.735 42.059 0.027 0.000 0.960 136 L HN 0.236 nan 8.230 nan 0.000 0.465 137 A N -1.627 121.212 122.820 0.032 0.000 2.067 137 A HA -0.184 4.136 4.320 -0.000 0.000 0.219 137 A C 0.726 178.277 177.584 -0.055 0.000 1.158 137 A CA 1.246 53.289 52.037 0.010 0.000 0.661 137 A CB -0.608 18.429 19.000 0.061 0.000 0.801 137 A HN 0.679 nan 8.150 nan 0.000 0.452 138 H N -1.574 117.498 119.070 0.003 0.000 2.779 138 H HA 0.518 5.074 4.556 -0.000 0.000 0.230 138 H C 0.268 175.598 175.328 0.002 0.000 1.365 138 H CA -0.115 55.934 56.048 0.002 0.000 1.086 138 H CB 0.278 30.037 29.762 -0.006 0.000 2.038 138 H HN 0.458 nan 8.280 nan 0.000 0.558 139 A N 0.835 123.688 122.820 0.053 0.000 2.561 139 A HA 0.467 4.787 4.320 -0.000 0.000 0.234 139 A C 1.086 178.699 177.584 0.049 0.000 1.055 139 A CA 1.125 53.188 52.037 0.043 0.000 0.756 139 A CB -0.361 18.650 19.000 0.019 0.000 0.986 139 A HN 0.811 nan 8.150 nan 0.000 0.505 140 G N -0.648 108.180 108.800 0.046 0.000 2.497 140 G HA2 0.408 4.368 3.960 -0.000 0.000 0.686 140 G HA3 0.408 4.368 3.960 -0.000 0.000 0.686 140 G C 0.541 175.469 174.900 0.047 0.000 1.288 140 G CA 0.106 45.234 45.100 0.046 0.000 0.899 140 G HN 1.997 nan 8.290 nan 0.000 0.608 141 A N -0.043 122.804 122.820 0.045 0.000 2.172 141 A HA 0.286 4.606 4.320 -0.000 0.000 0.216 141 A C 2.596 180.202 177.584 0.037 0.000 1.154 141 A CA 2.553 54.616 52.037 0.044 0.000 0.701 141 A CB -0.509 18.524 19.000 0.056 0.000 0.789 141 A HN 1.460 nan 8.150 nan 0.000 0.465 142 S N -0.405 115.325 115.700 0.050 0.000 2.343 142 S HA -0.153 4.317 4.470 -0.000 0.000 0.219 142 S C 1.888 176.491 174.600 0.005 0.000 1.033 142 S CA 1.580 59.809 58.200 0.048 0.000 1.014 142 S CB -0.508 62.745 63.200 0.089 0.000 0.915 142 S HN 0.372 nan 8.310 nan 0.000 0.435 143 V N 2.471 122.375 119.914 -0.017 0.000 2.407 143 V HA -0.175 3.945 4.120 -0.000 0.000 0.248 143 V C 2.065 178.072 176.094 -0.146 0.000 1.055 143 V CA 1.742 63.985 62.300 -0.095 0.000 1.049 143 V CB -0.738 31.007 31.823 -0.129 0.000 0.662 143 V HN 0.370 nan 8.190 nan 0.000 0.455 144 D N 0.032 120.346 120.400 -0.144 0.000 2.123 144 D HA -0.139 4.501 4.640 -0.000 0.000 0.196 144 D C 2.142 178.257 176.300 -0.309 0.000 0.992 144 D CA 1.234 55.063 54.000 -0.284 0.000 0.833 144 D CB -0.219 40.472 40.800 -0.181 0.000 0.954 144 D HN 0.340 nan 8.370 nan 0.000 0.455 145 L N 0.419 121.597 121.223 -0.075 0.000 2.046 145 L HA -0.159 4.181 4.340 -0.000 0.000 0.208 145 L C 2.496 179.355 176.870 -0.019 0.000 1.077 145 L CA 1.136 56.001 54.840 0.041 0.000 0.747 145 L CB -0.616 41.481 42.059 0.064 0.000 0.896 145 L HN 0.026 nan 8.230 nan 0.000 0.432 146 T N 0.104 114.608 114.554 -0.083 0.000 2.788 146 T HA -0.134 4.216 4.350 -0.000 0.000 0.268 146 T C 1.900 176.449 174.700 -0.251 0.000 1.044 146 T CA 1.211 63.225 62.100 -0.142 0.000 1.139 146 T CB -0.149 68.657 68.868 -0.103 0.000 0.867 146 T HN 0.208 nan 8.240 nan 0.000 0.454 147 I N 0.081 120.470 120.570 -0.300 0.000 2.394 147 I HA -0.111 4.059 4.170 -0.000 0.000 0.251 147 I C 1.742 177.627 176.117 -0.388 0.000 1.136 147 I CA 1.154 62.202 61.300 -0.419 0.000 1.425 147 I CB -0.232 37.469 38.000 -0.499 0.000 1.079 147 I HN 0.190 nan 8.210 nan 0.000 0.425 148 F N 0.012 119.880 119.950 -0.137 0.000 2.416 148 F HA -0.065 4.462 4.527 -0.000 0.000 0.296 148 F C 2.851 178.635 175.800 -0.025 0.000 1.099 148 F CA 0.900 58.887 58.000 -0.021 0.000 1.427 148 F CB -1.030 37.996 39.000 0.043 0.000 1.079 148 F HN -0.010 nan 8.300 nan 0.000 0.536 149 S N 0.088 115.855 115.700 0.111 0.000 2.382 149 S HA -0.140 4.330 4.470 -0.000 0.000 0.228 149 S C 1.999 176.589 174.600 -0.016 0.000 1.027 149 S CA 1.097 59.346 58.200 0.082 0.000 0.991 149 S CB -0.264 62.971 63.200 0.058 0.000 0.823 149 S HN 0.162 nan 8.310 nan 0.000 0.469 150 L N 0.871 121.965 121.223 -0.214 0.000 2.240 150 L HA 0.199 4.539 4.340 -0.000 0.000 0.211 150 L C 2.166 178.948 176.870 -0.146 0.000 1.106 150 L CA 1.527 56.151 54.840 -0.359 0.000 0.793 150 L CB -1.219 40.507 42.059 -0.556 0.000 0.927 150 L HN 0.463 nan 8.230 nan 0.000 0.446 151 H N -1.213 117.835 119.070 -0.036 0.000 2.321 151 H HA -0.104 4.452 4.556 -0.000 0.000 0.300 151 H C 2.170 177.505 175.328 0.012 0.000 1.087 151 H CA 1.155 57.211 56.048 0.013 0.000 1.319 151 H CB 0.179 30.014 29.762 0.123 0.000 1.379 151 H HN 0.167 nan 8.280 nan 0.000 0.501 152 L N -0.123 121.202 121.223 0.170 0.000 2.027 152 L HA -0.139 4.201 4.340 -0.000 0.000 0.206 152 L C 2.866 179.792 176.870 0.094 0.000 1.074 152 L CA 0.849 55.753 54.840 0.108 0.000 0.745 152 L CB -0.574 41.546 42.059 0.101 0.000 0.898 152 L HN 0.333 nan 8.230 nan 0.000 0.433 153 A N 0.387 123.264 122.820 0.095 0.000 1.978 153 A HA -0.127 4.193 4.320 -0.000 0.000 0.220 153 A C 2.355 180.002 177.584 0.104 0.000 1.170 153 A CA 1.766 53.867 52.037 0.107 0.000 0.636 153 A CB -1.056 17.976 19.000 0.052 0.000 0.810 153 A HN 0.469 nan 8.150 nan 0.000 0.448 154 G N -0.839 108.001 108.800 0.066 0.000 2.403 154 G HA2 -0.000 3.960 3.960 -0.000 0.000 0.216 154 G HA3 -0.000 3.960 3.960 -0.000 0.000 0.216 154 G C 1.466 176.408 174.900 0.071 0.000 1.154 154 G CA 1.047 46.187 45.100 0.066 0.000 0.784 154 G HN 0.296 nan 8.290 nan 0.000 0.538 155 V N 1.338 121.291 119.914 0.066 0.000 2.295 155 V HA -0.201 3.919 4.120 -0.000 0.000 0.246 155 V C 3.117 179.249 176.094 0.064 0.000 1.049 155 V CA 2.241 64.571 62.300 0.050 0.000 1.024 155 V CB -0.511 31.331 31.823 0.033 0.000 0.648 155 V HN 0.546 nan 8.190 nan 0.000 0.447 156 S N 0.370 116.115 115.700 0.074 0.000 2.372 156 S HA -0.270 4.200 4.470 -0.000 0.000 0.227 156 S C 2.117 176.791 174.600 0.122 0.000 1.044 156 S CA 2.537 60.792 58.200 0.091 0.000 1.050 156 S CB -0.462 62.787 63.200 0.081 0.000 0.901 156 S HN 0.619 nan 8.310 nan 0.000 0.447 157 S N 1.361 117.134 115.700 0.121 0.000 2.371 157 S HA 0.129 4.599 4.470 -0.000 0.000 0.224 157 S C 1.849 176.520 174.600 0.119 0.000 1.029 157 S CA 1.250 59.525 58.200 0.125 0.000 0.978 157 S CB -0.522 62.744 63.200 0.110 0.000 0.833 157 S HN 0.552 nan 8.310 nan 0.000 0.466 158 I N 1.055 121.684 120.570 0.098 0.000 2.208 158 I HA -0.194 3.976 4.170 -0.000 0.000 0.245 158 I C 2.147 178.317 176.117 0.088 0.000 1.097 158 I CA 0.836 62.189 61.300 0.087 0.000 1.363 158 I CB -0.272 37.766 38.000 0.063 0.000 1.051 158 I HN 0.214 nan 8.210 nan 0.000 0.413 159 L N 0.692 121.965 121.223 0.082 0.000 1.976 159 L HA -0.140 4.200 4.340 -0.000 0.000 0.209 159 L C 2.514 179.454 176.870 0.117 0.000 1.071 159 L CA 2.317 57.201 54.840 0.073 0.000 0.746 159 L CB -1.560 40.538 42.059 0.064 0.000 0.890 159 L HN 0.229 nan 8.230 nan 0.000 0.432 160 G N -1.908 106.990 108.800 0.163 0.000 2.471 160 G HA2 -0.114 3.846 3.960 -0.000 0.000 0.219 160 G HA3 -0.114 3.846 3.960 -0.000 0.000 0.219 160 G C 1.598 176.704 174.900 0.343 0.000 1.125 160 G CA 0.724 45.962 45.100 0.231 0.000 0.775 160 G HN 0.534 nan 8.290 nan 0.000 0.548 161 A N 0.825 123.793 122.820 0.246 0.000 1.930 161 A HA 0.115 4.435 4.320 -0.000 0.000 0.217 161 A C 2.313 180.026 177.584 0.215 0.000 1.175 161 A CA 0.917 53.090 52.037 0.228 0.000 0.627 161 A CB -0.253 18.830 19.000 0.138 0.000 0.815 161 A HN 0.372 nan 8.150 nan 0.000 0.443 162 I N -0.179 120.493 120.570 0.170 0.000 2.315 162 I HA -0.226 3.944 4.170 -0.000 0.000 0.248 162 I C 2.409 178.666 176.117 0.233 0.000 1.117 162 I CA 1.139 62.536 61.300 0.162 0.000 1.404 162 I CB -0.405 37.653 38.000 0.096 0.000 1.071 162 I HN 0.331 nan 8.210 nan 0.000 0.419 163 N N 1.117 119.947 118.700 0.217 0.000 2.084 163 N HA -0.160 4.580 4.740 -0.000 0.000 0.190 163 N C 1.835 177.301 175.510 -0.073 0.000 1.030 163 N CA 1.690 54.810 53.050 0.118 0.000 0.849 163 N CB -0.194 38.281 38.487 -0.021 0.000 1.012 163 N HN 0.186 nan 8.380 nan 0.000 0.423 164 F N 0.946 120.904 119.950 0.013 0.000 2.186 164 F HA 0.066 4.593 4.527 -0.000 0.000 0.299 164 F C 2.276 178.042 175.800 -0.057 0.000 1.090 164 F CA 0.560 58.534 58.000 -0.044 0.000 1.307 164 F CB -0.224 38.746 39.000 -0.049 0.000 1.019 164 F HN 0.014 nan 8.300 nan 0.000 0.489 165 I N -0.869 119.800 120.570 0.165 0.000 2.233 165 I HA -0.244 3.926 4.170 -0.000 0.000 0.243 165 I C 2.279 178.406 176.117 0.016 0.000 1.093 165 I CA 1.445 62.789 61.300 0.074 0.000 1.380 165 I CB -0.900 37.149 38.000 0.081 0.000 1.067 165 I HN 0.042 nan 8.210 nan 0.000 0.413 166 T N 0.232 114.804 114.554 0.029 0.000 2.720 166 T HA -0.171 4.179 4.350 -0.000 0.000 0.268 166 T C 1.909 176.519 174.700 -0.149 0.000 1.037 166 T CA 2.085 64.162 62.100 -0.038 0.000 1.144 166 T CB -0.381 68.480 68.868 -0.013 0.000 0.864 166 T HN 0.368 nan 8.240 nan 0.000 0.444 167 T N 2.279 116.722 114.554 -0.184 0.000 2.614 167 T HA 0.018 4.368 4.350 -0.000 0.000 0.263 167 T C 1.988 176.588 174.700 -0.166 0.000 1.055 167 T CA 1.090 63.057 62.100 -0.222 0.000 1.162 167 T CB -0.512 68.203 68.868 -0.254 0.000 0.863 167 T HN 0.312 nan 8.240 nan 0.000 0.414 168 I N 0.339 120.840 120.570 -0.114 0.000 2.423 168 I HA -0.137 4.033 4.170 -0.000 0.000 0.254 168 I C 2.082 178.095 176.117 -0.174 0.000 1.151 168 I CA 1.278 62.498 61.300 -0.133 0.000 1.421 168 I CB -0.326 37.611 38.000 -0.105 0.000 1.079 168 I HN 0.263 nan 8.210 nan 0.000 0.431 169 I N -0.097 120.386 120.570 -0.145 0.000 2.810 169 I HA -0.122 4.048 4.170 -0.000 0.000 0.262 169 I C 1.967 178.004 176.117 -0.133 0.000 1.131 169 I CA 0.789 62.002 61.300 -0.146 0.000 1.453 169 I CB -0.054 37.884 38.000 -0.103 0.000 1.161 169 I HN 0.187 nan 8.210 nan 0.000 0.444 170 N N 0.581 119.203 118.700 -0.130 0.000 2.373 170 N HA 0.087 4.827 4.740 -0.000 0.000 0.181 170 N C 0.925 176.351 175.510 -0.140 0.000 1.082 170 N CA 0.554 53.529 53.050 -0.124 0.000 0.885 170 N CB 0.299 38.715 38.487 -0.119 0.000 0.977 170 N HN 0.133 nan 8.380 nan 0.000 0.462 171 M N 0.252 119.754 119.600 -0.163 0.000 2.876 171 M HA 0.245 4.725 4.480 -0.000 0.000 0.367 171 M C -0.603 175.592 176.300 -0.174 0.000 1.242 171 M CA -0.277 54.920 55.300 -0.170 0.000 0.889 171 M CB 0.838 33.319 32.600 -0.199 0.000 1.353 171 M HN -0.127 nan 8.290 nan 0.000 0.511 172 K N 1.026 121.330 120.400 -0.160 0.000 2.106 172 K HA 0.530 4.850 4.320 -0.000 0.000 0.246 172 K C -2.491 174.023 176.600 -0.143 0.000 0.987 172 K CA -1.738 54.452 56.287 -0.161 0.000 0.904 172 K CB 0.490 32.897 32.500 -0.155 0.000 1.071 172 K HN -0.124 nan 8.250 nan 0.000 0.453 173 P HA 0.033 nan 4.420 nan 0.000 0.267 173 P C -2.165 175.070 177.300 -0.109 0.000 1.209 173 P CA -0.920 62.107 63.100 -0.121 0.000 0.763 173 P CB 0.259 31.891 31.700 -0.114 0.000 0.816 174 P HA -0.252 nan 4.420 nan 0.000 0.218 174 P C 0.894 178.143 177.300 -0.085 0.000 1.147 174 P CA 1.754 64.801 63.100 -0.088 0.000 0.827 174 P CB -0.130 31.520 31.700 -0.082 0.000 0.778 175 A N -2.254 120.509 122.820 -0.096 0.000 2.238 175 A HA 0.147 4.467 4.320 -0.000 0.000 0.210 175 A C 1.161 178.705 177.584 -0.065 0.000 1.179 175 A CA -0.063 51.924 52.037 -0.084 0.000 0.827 175 A CB -0.757 18.177 19.000 -0.111 0.000 0.856 175 A HN 0.169 nan 8.150 nan 0.000 0.488 176 M N 2.016 121.572 119.600 -0.073 0.000 2.120 176 M HA 0.317 4.797 4.480 -0.000 0.000 0.354 176 M C 0.403 176.660 176.300 -0.071 0.000 1.287 176 M CA -0.276 54.986 55.300 -0.064 0.000 1.103 176 M CB 0.789 33.344 32.600 -0.075 0.000 1.623 176 M HN 0.369 nan 8.290 nan 0.000 0.471 177 S N 3.162 118.835 115.700 -0.045 0.000 2.669 177 S HA 0.185 4.655 4.470 -0.000 0.000 0.270 177 S C 0.617 175.133 174.600 -0.141 0.000 1.225 177 S CA -0.523 57.636 58.200 -0.069 0.000 0.991 177 S CB 1.509 64.721 63.200 0.021 0.000 0.987 177 S HN 0.857 nan 8.310 nan 0.000 0.552 178 Q N -0.202 119.415 119.800 -0.306 0.000 2.226 178 Q HA -0.009 4.331 4.340 -0.000 0.000 0.204 178 Q C 0.417 176.293 176.000 -0.206 0.000 0.975 178 Q CA 1.610 57.142 55.803 -0.453 0.000 0.866 178 Q CB -0.491 27.853 28.738 -0.656 0.000 0.915 178 Q HN 0.853 nan 8.270 nan 0.000 0.440 179 Y N -0.549 119.928 120.300 0.295 0.000 2.465 179 Y HA 0.127 4.677 4.550 -0.000 0.000 0.311 179 Y C 0.962 177.011 175.900 0.247 0.000 1.204 179 Y CA 0.319 58.695 58.100 0.459 0.000 1.272 179 Y CB 0.024 38.684 38.460 0.333 0.000 1.083 179 Y HN 0.152 nan 8.280 nan 0.000 0.508 180 Q N -0.850 119.074 119.800 0.206 0.000 2.140 180 Q HA 0.103 4.443 4.340 -0.000 0.000 0.227 180 Q C 0.401 176.447 176.000 0.078 0.000 0.798 180 Q CA -0.077 55.764 55.803 0.063 0.000 0.987 180 Q CB 0.882 29.631 28.738 0.018 0.000 1.161 180 Q HN 0.317 nan 8.270 nan 0.000 0.480 181 T N -1.266 113.360 114.554 0.120 0.000 2.909 181 T HA 0.521 4.871 4.350 -0.000 0.000 0.289 181 T C -2.565 172.331 174.700 0.326 0.000 1.005 181 T CA -2.014 60.135 62.100 0.082 0.000 1.084 181 T CB 1.252 70.029 68.868 -0.151 0.000 0.975 181 T HN -0.209 nan 8.240 nan 0.000 0.509 182 P HA 0.189 nan 4.420 nan 0.000 0.269 182 P C 1.062 178.741 177.300 0.631 0.000 1.209 182 P CA -0.472 62.923 63.100 0.492 0.000 0.776 182 P CB 0.417 32.431 31.700 0.525 0.000 0.876 183 L N 1.125 122.764 121.223 0.694 0.000 2.081 183 L HA -0.214 4.126 4.340 -0.000 0.000 0.212 183 L C 2.175 179.392 176.870 0.577 0.000 1.080 183 L CA 1.492 56.697 54.840 0.607 0.000 0.754 183 L CB -0.713 41.609 42.059 0.438 0.000 0.893 183 L HN 0.369 nan 8.230 nan 0.000 0.433 184 F N 0.606 120.855 119.950 0.497 0.000 2.095 184 F HA -0.228 4.299 4.527 -0.000 0.000 0.298 184 F C 2.283 178.165 175.800 0.137 0.000 1.104 184 F CA 1.729 59.803 58.000 0.122 0.000 1.232 184 F CB -0.444 38.371 39.000 -0.308 0.000 0.987 184 F HN -0.235 nan 8.300 nan 0.000 0.475 185 V N -0.867 119.125 119.914 0.131 0.000 2.287 185 V HA -0.355 3.765 4.120 -0.000 0.000 0.248 185 V C 2.193 178.274 176.094 -0.021 0.000 1.053 185 V CA 2.156 64.434 62.300 -0.037 0.000 1.027 185 V CB -1.266 30.565 31.823 0.014 0.000 0.646 185 V HN 0.523 nan 8.190 nan 0.000 0.447 186 W N 0.829 122.137 121.300 0.014 0.000 2.335 186 W HA -0.249 4.411 4.660 -0.000 0.000 0.311 186 W C 3.088 179.577 176.519 -0.051 0.000 1.213 186 W CA 2.028 59.373 57.345 0.000 0.000 1.274 186 W CB -0.446 29.035 29.460 0.034 0.000 1.148 186 W HN 0.369 nan 8.180 nan 0.000 0.498 187 S N 0.189 116.019 115.700 0.217 0.000 2.359 187 S HA -0.261 4.209 4.470 -0.000 0.000 0.224 187 S C 1.928 176.460 174.600 -0.115 0.000 1.035 187 S CA 1.868 60.106 58.200 0.063 0.000 1.018 187 S CB -1.248 61.999 63.200 0.078 0.000 0.876 187 S HN 0.241 nan 8.310 nan 0.000 0.448 188 V N 0.541 120.251 119.914 -0.341 0.000 2.871 188 V HA 0.121 4.241 4.120 -0.000 0.000 0.256 188 V C 2.222 178.172 176.094 -0.240 0.000 1.082 188 V CA 1.731 63.778 62.300 -0.421 0.000 1.105 188 V CB -0.633 30.752 31.823 -0.730 0.000 0.713 188 V HN 0.670 nan 8.190 nan 0.000 0.473 189 M N -0.087 119.453 119.600 -0.100 0.000 2.099 189 M HA -0.067 4.413 4.480 -0.000 0.000 0.262 189 M C 2.075 178.401 176.300 0.042 0.000 1.067 189 M CA 2.413 57.702 55.300 -0.019 0.000 1.124 189 M CB -0.215 32.370 32.600 -0.026 0.000 1.353 189 M HN 0.393 nan 8.290 nan 0.000 0.410 190 I N -0.157 120.478 120.570 0.108 0.000 2.179 190 I HA -0.299 3.871 4.170 -0.000 0.000 0.242 190 I C 2.216 178.372 176.117 0.065 0.000 1.088 190 I CA 1.619 62.990 61.300 0.119 0.000 1.357 190 I CB -0.754 37.332 38.000 0.143 0.000 1.051 190 I HN 0.344 nan 8.210 nan 0.000 0.409 191 T N 0.732 115.286 114.554 0.001 0.000 2.720 191 T HA -0.220 4.130 4.350 -0.000 0.000 0.268 191 T C 2.046 176.729 174.700 -0.029 0.000 1.037 191 T CA 1.600 63.678 62.100 -0.037 0.000 1.144 191 T CB -0.346 68.448 68.868 -0.123 0.000 0.864 191 T HN 0.507 nan 8.240 nan 0.000 0.444 192 A N 0.799 123.586 122.820 -0.055 0.000 1.908 192 A HA -0.068 4.252 4.320 -0.000 0.000 0.218 192 A C 2.580 180.203 177.584 0.064 0.000 1.181 192 A CA 1.457 53.491 52.037 -0.005 0.000 0.627 192 A CB -0.985 18.023 19.000 0.014 0.000 0.818 192 A HN 0.374 nan 8.150 nan 0.000 0.445 193 V N -0.332 119.630 119.914 0.080 0.000 2.343 193 V HA -0.230 3.890 4.120 -0.000 0.000 0.247 193 V C 2.488 178.679 176.094 0.161 0.000 1.051 193 V CA 1.834 64.199 62.300 0.108 0.000 1.036 193 V CB -0.778 31.110 31.823 0.108 0.000 0.654 193 V HN 0.477 nan 8.190 nan 0.000 0.451 194 L N -0.761 120.575 121.223 0.188 0.000 2.042 194 L HA -0.170 4.170 4.340 -0.000 0.000 0.210 194 L C 2.226 179.218 176.870 0.204 0.000 1.076 194 L CA 1.790 56.790 54.840 0.267 0.000 0.749 194 L CB -0.898 41.240 42.059 0.131 0.000 0.893 194 L HN 0.244 nan 8.230 nan 0.000 0.432 195 L N -1.829 119.469 121.223 0.125 0.000 2.056 195 L HA -0.217 4.123 4.340 -0.000 0.000 0.207 195 L C 2.432 179.389 176.870 0.145 0.000 1.078 195 L CA 0.675 55.589 54.840 0.123 0.000 0.749 195 L CB -0.510 41.597 42.059 0.081 0.000 0.901 195 L HN 0.217 nan 8.230 nan 0.000 0.433 196 L N -0.582 120.720 121.223 0.132 0.000 2.079 196 L HA -0.224 4.116 4.340 -0.000 0.000 0.210 196 L C 2.182 179.129 176.870 0.129 0.000 1.081 196 L CA 1.754 56.663 54.840 0.115 0.000 0.752 196 L CB -0.157 41.960 42.059 0.096 0.000 0.896 196 L HN 0.148 nan 8.230 nan 0.000 0.433 197 L N -1.938 119.390 121.223 0.176 0.000 2.168 197 L HA -0.014 4.326 4.340 -0.000 0.000 0.203 197 L C 2.561 179.617 176.870 0.310 0.000 1.078 197 L CA 1.015 55.978 54.840 0.205 0.000 0.780 197 L CB -0.617 41.523 42.059 0.135 0.000 0.939 197 L HN 0.410 nan 8.230 nan 0.000 0.451 198 S N -0.092 115.816 115.700 0.347 0.000 2.371 198 S HA -0.096 4.374 4.470 -0.000 0.000 0.221 198 S C 1.969 176.750 174.600 0.302 0.000 1.036 198 S CA 0.271 58.657 58.200 0.311 0.000 0.965 198 S CB -0.507 62.778 63.200 0.143 0.000 0.845 198 S HN 0.126 nan 8.310 nan 0.000 0.475 199 L N 2.880 124.254 121.223 0.252 0.000 2.129 199 L HA 0.077 4.417 4.340 -0.000 0.000 0.212 199 L C -0.952 175.921 176.870 0.005 0.000 1.087 199 L CA 1.460 56.349 54.840 0.081 0.000 0.757 199 L CB -1.615 40.500 42.059 0.094 0.000 0.896 199 L HN 0.283 nan 8.230 nan 0.000 0.434 200 P HA -0.065 nan 4.420 nan 0.000 0.219 200 P C 2.013 179.327 177.300 0.024 0.000 1.150 200 P CA 0.804 63.927 63.100 0.039 0.000 0.814 200 P CB 0.153 31.888 31.700 0.058 0.000 0.787 201 V N -0.211 119.744 119.914 0.068 0.000 2.343 201 V HA -0.217 3.903 4.120 -0.000 0.000 0.247 201 V C 2.370 178.436 176.094 -0.046 0.000 1.051 201 V CA 1.513 63.842 62.300 0.048 0.000 1.036 201 V CB -1.308 30.623 31.823 0.181 0.000 0.654 201 V HN 0.059 nan 8.190 nan 0.000 0.451 202 L N 1.206 122.340 121.223 -0.148 0.000 2.012 202 L HA -0.138 4.202 4.340 -0.000 0.000 0.210 202 L C 2.506 179.259 176.870 -0.195 0.000 1.073 202 L CA 2.438 57.075 54.840 -0.338 0.000 0.748 202 L CB -0.878 40.650 42.059 -0.885 0.000 0.891 202 L HN 0.214 nan 8.230 nan 0.000 0.431 203 A N -0.505 122.241 122.820 -0.123 0.000 1.986 203 A HA -0.195 4.125 4.320 -0.000 0.000 0.220 203 A C 2.415 180.044 177.584 0.075 0.000 1.171 203 A CA 2.079 54.137 52.037 0.035 0.000 0.640 203 A CB -1.173 17.872 19.000 0.073 0.000 0.811 203 A HN 0.656 nan 8.150 nan 0.000 0.451 204 A N -0.645 122.177 122.820 0.004 0.000 1.854 204 A HA 0.230 4.550 4.320 -0.000 0.000 0.214 204 A C 2.461 180.035 177.584 -0.017 0.000 1.192 204 A CA 1.723 53.751 52.037 -0.015 0.000 0.611 204 A CB -1.453 17.520 19.000 -0.046 0.000 0.832 204 A HN 0.732 nan 8.150 nan 0.000 0.442 205 G N 1.078 109.866 108.800 -0.020 0.000 2.491 205 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.218 205 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.218 205 G C 1.502 176.493 174.900 0.152 0.000 1.180 205 G CA 1.428 46.554 45.100 0.042 0.000 0.774 205 G HN 0.886 nan 8.290 nan 0.000 0.562 206 I N -1.789 118.819 120.570 0.064 0.000 3.001 206 I HA 0.039 4.209 4.170 -0.000 0.000 0.268 206 I C 2.207 178.351 176.117 0.045 0.000 1.267 206 I CA 1.460 62.788 61.300 0.046 0.000 1.472 206 I CB -0.470 37.443 38.000 -0.145 0.000 1.089 206 I HN -0.048 nan 8.210 nan 0.000 0.468 207 T N 1.232 115.855 114.554 0.115 0.000 2.896 207 T HA 0.085 4.435 4.350 -0.000 0.000 0.263 207 T C 1.903 176.655 174.700 0.087 0.000 1.050 207 T CA 1.313 63.509 62.100 0.159 0.000 1.140 207 T CB -0.089 68.871 68.868 0.154 0.000 0.877 207 T HN 0.312 nan 8.240 nan 0.000 0.457 208 M N 0.401 120.010 119.600 0.017 0.000 2.175 208 M HA -0.004 4.476 4.480 -0.000 0.000 0.264 208 M C 2.194 178.663 176.300 0.283 0.000 1.063 208 M CA 1.193 56.419 55.300 -0.122 0.000 1.119 208 M CB -0.356 31.940 32.600 -0.506 0.000 1.377 208 M HN 0.179 nan 8.290 nan 0.000 0.415 209 L N 0.445 121.938 121.223 0.450 0.000 2.093 209 L HA -0.139 4.201 4.340 -0.000 0.000 0.208 209 L C 2.129 179.097 176.870 0.164 0.000 1.085 209 L CA 1.509 56.573 54.840 0.374 0.000 0.755 209 L CB -0.595 41.539 42.059 0.126 0.000 0.904 209 L HN 0.206 nan 8.230 nan 0.000 0.435 210 L N -0.873 120.403 121.223 0.088 0.000 2.093 210 L HA -0.167 4.173 4.340 -0.000 0.000 0.208 210 L C 2.522 179.442 176.870 0.084 0.000 1.085 210 L CA 2.244 57.096 54.840 0.020 0.000 0.755 210 L CB -0.728 41.320 42.059 -0.019 0.000 0.904 210 L HN 0.596 nan 8.230 nan 0.000 0.435 211 T N -4.931 109.710 114.554 0.144 0.000 2.857 211 T HA -0.121 4.229 4.350 -0.000 0.000 0.266 211 T C 1.635 176.426 174.700 0.151 0.000 1.048 211 T CA 1.077 63.274 62.100 0.162 0.000 1.139 211 T CB -0.538 68.469 68.868 0.232 0.000 0.874 211 T HN 0.232 nan 8.240 nan 0.000 0.455 212 D N 1.413 121.931 120.400 0.195 0.000 2.218 212 D HA 0.021 4.661 4.640 -0.000 0.000 0.204 212 D C 2.337 178.697 176.300 0.100 0.000 0.976 212 D CA 0.747 54.839 54.000 0.154 0.000 0.853 212 D CB -0.127 40.815 40.800 0.237 0.000 0.939 212 D HN 0.484 nan 8.370 nan 0.000 0.481 213 R N -0.382 120.169 120.500 0.085 0.000 2.246 213 R HA 0.200 4.540 4.340 -0.000 0.000 0.199 213 R C 0.910 177.236 176.300 0.043 0.000 0.984 213 R CA 0.455 56.585 56.100 0.050 0.000 1.015 213 R CB 0.347 30.659 30.300 0.020 0.000 0.930 213 R HN 0.138 nan 8.270 nan 0.000 0.475 214 N N -0.951 117.780 118.700 0.053 0.000 2.104 214 N HA 0.041 4.781 4.740 -0.000 0.000 0.227 214 N C 0.091 175.632 175.510 0.053 0.000 1.321 214 N CA 0.114 53.195 53.050 0.051 0.000 0.877 214 N CB 0.897 39.420 38.487 0.059 0.000 1.117 214 N HN -0.003 nan 8.380 nan 0.000 0.486 215 L N 1.657 122.915 121.223 0.059 0.000 3.014 215 L HA 0.344 4.684 4.340 -0.000 0.000 0.263 215 L C 0.065 176.951 176.870 0.027 0.000 1.207 215 L CA 0.136 55.005 54.840 0.049 0.000 1.017 215 L CB -0.528 41.572 42.059 0.068 0.000 1.360 215 L HN -0.018 nan 8.230 nan 0.000 0.560 216 N N -0.327 118.385 118.700 0.020 0.000 2.725 216 N HA -0.175 4.565 4.740 -0.000 0.000 0.249 216 N C 0.484 175.968 175.510 -0.044 0.000 1.103 216 N CA 1.295 54.341 53.050 -0.006 0.000 0.707 216 N CB -1.488 36.993 38.487 -0.008 0.000 1.043 216 N HN 0.563 nan 8.380 nan 0.000 0.553 217 T N -3.035 111.488 114.554 -0.052 0.000 2.824 217 T HA 0.592 4.942 4.350 -0.000 0.000 0.277 217 T C 1.104 175.687 174.700 -0.194 0.000 0.975 217 T CA 0.150 62.138 62.100 -0.186 0.000 0.966 217 T CB 1.762 70.517 68.868 -0.188 0.000 1.054 217 T HN 0.261 nan 8.240 nan 0.000 0.533 218 T N -1.732 112.606 114.554 -0.359 0.000 3.823 218 T HA 0.320 4.670 4.350 -0.000 0.000 0.261 218 T C 0.419 174.948 174.700 -0.286 0.000 0.983 218 T CA -0.653 61.321 62.100 -0.212 0.000 1.151 218 T CB -0.926 67.855 68.868 -0.145 0.000 1.062 218 T HN 0.394 nan 8.240 nan 0.000 0.542 219 F N 0.969 120.731 119.950 -0.313 0.000 2.126 219 F HA 0.126 4.653 4.527 -0.000 0.000 0.299 219 F C 1.283 176.753 175.800 -0.550 0.000 1.096 219 F CA 1.244 58.898 58.000 -0.576 0.000 1.255 219 F CB -0.413 37.935 39.000 -1.086 0.000 0.997 219 F HN 0.406 nan 8.300 nan 0.000 0.479 220 F N -1.742 118.335 119.950 0.212 0.000 2.661 220 F HA 0.220 4.747 4.527 -0.000 0.000 0.306 220 F C 0.241 176.076 175.800 0.058 0.000 1.094 220 F CA -0.767 57.306 58.000 0.122 0.000 1.254 220 F CB -0.239 38.818 39.000 0.095 0.000 1.040 220 F HN -0.274 nan 8.300 nan 0.000 0.562 221 D N 1.822 122.304 120.400 0.137 0.000 2.317 221 D HA 0.216 4.856 4.640 -0.000 0.000 0.234 221 D C -1.932 174.396 176.300 0.046 0.000 1.112 221 D CA -2.277 51.771 54.000 0.079 0.000 0.840 221 D CB 2.112 42.935 40.800 0.039 0.000 1.078 221 D HN -0.068 nan 8.370 nan 0.000 0.486 222 P HA -0.118 nan 4.420 nan 0.000 0.218 222 P C 1.021 178.332 177.300 0.018 0.000 1.148 222 P CA 1.229 64.352 63.100 0.038 0.000 0.822 222 P CB 0.282 32.008 31.700 0.043 0.000 0.784 223 A N 0.140 122.968 122.820 0.014 0.000 1.884 223 A HA -0.161 4.159 4.320 -0.000 0.000 0.219 223 A C 2.366 179.944 177.584 -0.011 0.000 1.197 223 A CA 2.249 54.288 52.037 0.003 0.000 0.637 223 A CB -1.932 17.070 19.000 0.003 0.000 0.827 223 A HN 0.316 nan 8.150 nan 0.000 0.450 224 G N -2.416 106.369 108.800 -0.025 0.000 3.026 224 G HA2 0.378 4.338 3.960 -0.000 0.000 0.208 224 G HA3 0.378 4.338 3.960 -0.000 0.000 0.208 224 G C 1.114 175.984 174.900 -0.050 0.000 1.169 224 G CA 0.615 45.684 45.100 -0.052 0.000 0.788 224 G HN 1.761 nan 8.290 nan 0.000 0.533 225 G N -1.267 107.519 108.800 -0.023 0.000 2.141 225 G HA2 -0.017 3.943 3.960 -0.000 0.000 0.242 225 G HA3 -0.017 3.943 3.960 -0.000 0.000 0.242 225 G C 0.820 175.716 174.900 -0.006 0.000 0.982 225 G CA 0.232 45.324 45.100 -0.012 0.000 0.662 225 G HN 0.960 nan 8.290 nan 0.000 0.527 226 G N -0.835 107.961 108.800 -0.007 0.000 2.525 226 G HA2 0.480 4.440 3.960 -0.000 0.000 0.276 226 G HA3 0.480 4.440 3.960 -0.000 0.000 0.276 226 G C -0.456 174.495 174.900 0.085 0.000 1.388 226 G CA 0.630 45.740 45.100 0.017 0.000 1.050 226 G HN 0.623 nan 8.290 nan 0.000 0.520 227 D N -1.665 118.831 120.400 0.160 0.000 2.452 227 D HA 0.291 4.931 4.640 -0.000 0.000 0.226 227 D C -2.115 174.348 176.300 0.272 0.000 1.366 227 D CA -1.387 52.724 54.000 0.184 0.000 0.986 227 D CB 1.784 42.685 40.800 0.169 0.000 1.420 227 D HN -0.060 nan 8.370 nan 0.000 0.583 228 P HA -0.086 nan 4.420 nan 0.000 0.220 228 P C 1.462 178.785 177.300 0.039 0.000 1.144 228 P CA 0.502 63.673 63.100 0.119 0.000 0.800 228 P CB 0.312 32.035 31.700 0.037 0.000 0.772 229 I N -1.644 118.968 120.570 0.071 0.000 2.617 229 I HA -0.083 4.087 4.170 -0.000 0.000 0.256 229 I C 2.034 178.197 176.117 0.076 0.000 1.167 229 I CA 0.715 62.016 61.300 0.001 0.000 1.469 229 I CB -1.431 36.585 38.000 0.027 0.000 1.098 229 I HN 0.009 nan 8.210 nan 0.000 0.436 230 L N 0.718 122.097 121.223 0.260 0.000 2.046 230 L HA -0.253 4.087 4.340 -0.000 0.000 0.208 230 L C 2.599 179.660 176.870 0.319 0.000 1.077 230 L CA 1.878 56.939 54.840 0.367 0.000 0.747 230 L CB -1.178 41.128 42.059 0.411 0.000 0.896 230 L HN 0.259 nan 8.230 nan 0.000 0.432 231 Y N 0.258 120.610 120.300 0.087 0.000 2.165 231 Y HA -0.298 4.252 4.550 -0.000 0.000 0.286 231 Y C 2.533 178.299 175.900 -0.223 0.000 1.155 231 Y CA 2.178 60.080 58.100 -0.331 0.000 1.164 231 Y CB -0.250 37.550 38.460 -1.100 0.000 0.978 231 Y HN 0.394 nan 8.280 nan 0.000 0.513 232 Q N -1.079 118.612 119.800 -0.181 0.000 2.170 232 Q HA -0.228 4.112 4.340 -0.000 0.000 0.203 232 Q C 1.912 177.902 176.000 -0.016 0.000 0.976 232 Q CA 1.360 57.024 55.803 -0.231 0.000 0.858 232 Q CB -0.234 28.304 28.738 -0.334 0.000 0.907 232 Q HN 0.638 nan 8.270 nan 0.000 0.433 233 H N 0.463 119.600 119.070 0.112 0.000 2.284 233 H HA -0.031 4.525 4.556 -0.000 0.000 0.304 233 H C 2.271 177.568 175.328 -0.051 0.000 1.069 233 H CA 1.041 57.188 56.048 0.165 0.000 1.327 233 H CB -0.289 29.583 29.762 0.184 0.000 1.387 233 H HN 0.183 nan 8.280 nan 0.000 0.498 234 L N -0.313 120.918 121.223 0.014 0.000 1.971 234 L HA -0.237 4.103 4.340 -0.000 0.000 0.215 234 L C 2.576 179.371 176.870 -0.126 0.000 1.072 234 L CA 1.635 56.416 54.840 -0.098 0.000 0.758 234 L CB -0.755 41.239 42.059 -0.108 0.000 0.889 234 L HN 0.115 nan 8.230 nan 0.000 0.433 235 F N -0.154 119.494 119.950 -0.502 0.000 2.043 235 F HA -0.281 4.246 4.527 -0.000 0.000 0.297 235 F C 2.165 177.719 175.800 -0.410 0.000 1.121 235 F CA 1.734 59.394 58.000 -0.567 0.000 1.199 235 F CB -0.561 37.871 39.000 -0.947 0.000 0.968 235 F HN -0.027 nan 8.300 nan 0.000 0.478 236 W N -1.087 120.339 121.300 0.210 0.000 2.468 236 W HA -0.187 4.473 4.660 -0.000 0.000 0.262 236 W C 2.211 178.734 176.519 0.006 0.000 1.241 236 W CA 0.589 58.004 57.345 0.116 0.000 1.232 236 W CB -0.596 29.035 29.460 0.285 0.000 1.124 236 W HN 0.108 nan 8.180 nan 0.000 0.597 237 F N -0.233 119.626 119.950 -0.153 0.000 2.234 237 F HA -0.176 4.351 4.527 -0.000 0.000 0.299 237 F C 2.108 177.824 175.800 -0.140 0.000 1.087 237 F CA 1.483 59.289 58.000 -0.324 0.000 1.340 237 F CB -0.660 38.055 39.000 -0.476 0.000 1.031 237 F HN -0.025 nan 8.300 nan 0.000 0.500 238 F N 0.051 119.869 119.950 -0.221 0.000 2.262 238 F HA 0.237 4.764 4.527 -0.000 0.000 0.292 238 F C 2.275 177.856 175.800 -0.364 0.000 1.081 238 F CA 1.280 59.093 58.000 -0.310 0.000 1.355 238 F CB -1.214 37.583 39.000 -0.337 0.000 1.069 238 F HN -0.125 nan 8.300 nan 0.000 0.506 239 G N -0.563 107.659 108.800 -0.963 0.000 2.475 239 G HA2 -0.377 3.583 3.960 -0.000 0.000 0.220 239 G HA3 -0.377 3.583 3.960 -0.000 0.000 0.220 239 G C 1.440 176.110 174.900 -0.383 0.000 1.125 239 G CA 1.513 46.054 45.100 -0.931 0.000 0.755 239 G HN 0.580 nan 8.290 nan 0.000 0.565 240 H N 1.248 120.243 119.070 -0.126 0.000 2.355 240 H HA 0.078 4.634 4.556 -0.000 0.000 0.303 240 H C 0.115 175.367 175.328 -0.128 0.000 1.061 240 H CA 0.942 56.998 56.048 0.013 0.000 1.368 240 H CB -0.381 29.497 29.762 0.192 0.000 1.412 240 H HN 0.242 nan 8.280 nan 0.000 0.523 241 P HA -0.158 nan 4.420 nan 0.000 0.217 241 P C 1.119 178.177 177.300 -0.402 0.000 1.148 241 P CA 1.844 64.676 63.100 -0.447 0.000 0.828 241 P CB 0.078 31.300 31.700 -0.796 0.000 0.783 242 E N -0.006 119.817 120.200 -0.629 0.000 2.077 242 E HA -0.158 4.192 4.350 -0.000 0.000 0.193 242 E C 1.761 178.071 176.600 -0.484 0.000 0.989 242 E CA 1.418 57.455 56.400 -0.606 0.000 0.800 242 E CB -1.160 27.968 29.700 -0.953 0.000 0.746 242 E HN 0.097 nan 8.360 nan 0.000 0.452 243 V N -0.917 118.660 119.914 -0.561 0.000 2.469 243 V HA -0.235 3.885 4.120 -0.000 0.000 0.251 243 V C 1.836 177.570 176.094 -0.601 0.000 1.064 243 V CA 1.803 63.749 62.300 -0.590 0.000 1.066 243 V CB -1.108 30.313 31.823 -0.671 0.000 0.667 243 V HN 0.262 nan 8.190 nan 0.000 0.461 244 Y N 0.058 120.162 120.300 -0.326 0.000 2.420 244 Y HA 0.285 4.835 4.550 -0.000 0.000 0.292 244 Y C 2.347 178.120 175.900 -0.212 0.000 1.119 244 Y CA 0.986 58.960 58.100 -0.210 0.000 1.229 244 Y CB -0.325 38.067 38.460 -0.113 0.000 1.026 244 Y HN 0.179 nan 8.280 nan 0.000 0.554 245 I N -0.394 120.102 120.570 -0.122 0.000 2.614 245 I HA -0.259 3.911 4.170 -0.000 0.000 0.258 245 I C 1.562 177.575 176.117 -0.175 0.000 1.189 245 I CA 1.264 62.484 61.300 -0.134 0.000 1.462 245 I CB -0.168 37.735 38.000 -0.161 0.000 1.092 245 I HN 0.254 nan 8.210 nan 0.000 0.442 246 L N -0.655 120.431 121.223 -0.230 0.000 2.446 246 L HA -0.027 4.313 4.340 -0.000 0.000 0.219 246 L C 2.118 178.866 176.870 -0.202 0.000 1.116 246 L CA 0.406 55.110 54.840 -0.227 0.000 0.844 246 L CB 0.109 41.996 42.059 -0.286 0.000 0.970 246 L HN 0.192 nan 8.230 nan 0.000 0.457 247 I N -0.882 119.535 120.570 -0.255 0.000 3.526 247 I HA -0.026 4.144 4.170 -0.000 0.000 0.294 247 I C 1.985 177.803 176.117 -0.499 0.000 1.229 247 I CA 0.841 61.920 61.300 -0.368 0.000 1.408 247 I CB 0.202 37.902 38.000 -0.500 0.000 1.127 247 I HN 0.013 nan 8.210 nan 0.000 0.439 248 L N 1.289 122.323 121.223 -0.314 0.000 1.990 248 L HA -0.161 4.179 4.340 -0.000 0.000 0.213 248 L C -0.376 176.513 176.870 0.032 0.000 1.072 248 L CA 1.798 56.577 54.840 -0.101 0.000 0.755 248 L CB -1.976 40.092 42.059 0.014 0.000 0.889 248 L HN 0.167 nan 8.230 nan 0.000 0.432 249 P HA -0.135 nan 4.420 nan 0.000 0.219 249 P C 1.421 178.823 177.300 0.170 0.000 1.146 249 P CA 1.652 64.785 63.100 0.056 0.000 0.808 249 P CB -0.152 31.562 31.700 0.024 0.000 0.779 250 G N -1.834 107.002 108.800 0.061 0.000 2.464 250 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.217 250 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.217 250 G C 1.184 176.115 174.900 0.051 0.000 1.138 250 G CA 0.123 45.234 45.100 0.018 0.000 0.793 250 G HN 0.099 nan 8.290 nan 0.000 0.539 251 F N 2.050 122.028 119.950 0.048 0.000 2.102 251 F HA 0.048 4.575 4.527 -0.000 0.000 0.298 251 F C 2.796 178.736 175.800 0.233 0.000 1.105 251 F CA 0.561 58.666 58.000 0.176 0.000 1.239 251 F CB -1.042 38.106 39.000 0.248 0.000 0.991 251 F HN 0.182 nan 8.300 nan 0.000 0.474 252 G N -0.393 108.677 108.800 0.450 0.000 2.433 252 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.216 252 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.216 252 G C 1.796 176.962 174.900 0.443 0.000 1.186 252 G CA 0.895 46.285 45.100 0.483 0.000 0.779 252 G HN 0.242 nan 8.290 nan 0.000 0.543 253 M N 0.159 119.936 119.600 0.295 0.000 2.108 253 M HA -0.029 4.451 4.480 -0.000 0.000 0.261 253 M C 2.483 178.801 176.300 0.031 0.000 1.066 253 M CA 1.107 56.459 55.300 0.086 0.000 1.107 253 M CB -0.295 32.257 32.600 -0.080 0.000 1.356 253 M HN 0.126 nan 8.290 nan 0.000 0.406 254 I N -0.433 120.055 120.570 -0.136 0.000 2.286 254 I HA -0.232 3.938 4.170 -0.000 0.000 0.248 254 I C 2.390 178.384 176.117 -0.205 0.000 1.115 254 I CA 1.418 62.486 61.300 -0.387 0.000 1.392 254 I CB -1.248 36.160 38.000 -0.986 0.000 1.065 254 I HN 0.251 nan 8.210 nan 0.000 0.418 255 S N -0.144 115.648 115.700 0.154 0.000 2.368 255 S HA -0.209 4.261 4.470 -0.000 0.000 0.225 255 S C 1.923 176.703 174.600 0.300 0.000 1.030 255 S CA 1.312 59.753 58.200 0.403 0.000 0.999 255 S CB -0.380 63.162 63.200 0.570 0.000 0.844 255 S HN 0.490 nan 8.310 nan 0.000 0.459 256 H N 0.927 120.110 119.070 0.188 0.000 2.357 256 H HA 0.119 4.675 4.556 -0.000 0.000 0.301 256 H C 1.993 177.312 175.328 -0.014 0.000 1.082 256 H CA 1.225 57.373 56.048 0.166 0.000 1.342 256 H CB -0.362 29.571 29.762 0.285 0.000 1.389 256 H HN 0.309 nan 8.280 nan 0.000 0.511 257 I N -0.734 119.824 120.570 -0.019 0.000 2.202 257 I HA -0.223 3.947 4.170 -0.000 0.000 0.242 257 I C 2.156 178.297 176.117 0.039 0.000 1.091 257 I CA 0.805 62.004 61.300 -0.168 0.000 1.368 257 I CB -0.176 37.664 38.000 -0.267 0.000 1.058 257 I HN 0.079 nan 8.210 nan 0.000 0.410 258 V N 0.507 120.412 119.914 -0.015 0.000 2.427 258 V HA -0.258 3.862 4.120 -0.000 0.000 0.248 258 V C 2.437 178.575 176.094 0.074 0.000 1.051 258 V CA 2.382 64.687 62.300 0.008 0.000 1.048 258 V CB -0.666 31.123 31.823 -0.057 0.000 0.666 258 V HN 0.495 nan 8.190 nan 0.000 0.456 259 T N -1.347 113.266 114.554 0.099 0.000 2.770 259 T HA -0.172 4.178 4.350 -0.000 0.000 0.263 259 T C 1.745 176.471 174.700 0.042 0.000 1.039 259 T CA 1.607 63.761 62.100 0.090 0.000 1.142 259 T CB -0.351 68.579 68.868 0.102 0.000 0.868 259 T HN 0.525 nan 8.240 nan 0.000 0.435 260 Y N 1.046 121.275 120.300 -0.118 0.000 2.165 260 Y HA -0.194 4.356 4.550 -0.000 0.000 0.286 260 Y C 1.434 177.082 175.900 -0.420 0.000 1.155 260 Y CA 1.242 59.170 58.100 -0.286 0.000 1.164 260 Y CB -0.357 37.842 38.460 -0.434 0.000 0.978 260 Y HN 0.282 nan 8.280 nan 0.000 0.513 261 Y N -1.264 119.028 120.300 -0.013 0.000 2.462 261 Y HA 0.122 4.672 4.550 -0.000 0.000 0.293 261 Y C 1.808 177.599 175.900 -0.181 0.000 1.195 261 Y CA 0.471 58.494 58.100 -0.128 0.000 1.276 261 Y CB 0.104 38.498 38.460 -0.110 0.000 1.082 261 Y HN 0.002 nan 8.280 nan 0.000 0.514 262 S N -1.080 114.581 115.700 -0.065 0.000 2.559 262 S HA 0.234 4.704 4.470 -0.000 0.000 0.226 262 S C 1.565 176.103 174.600 -0.102 0.000 1.000 262 S CA 0.406 58.564 58.200 -0.070 0.000 0.948 262 S CB 0.406 63.593 63.200 -0.021 0.000 0.870 262 S HN 0.601 nan 8.310 nan 0.000 0.497 263 G N 2.720 111.411 108.800 -0.181 0.000 2.221 263 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.265 263 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.265 263 G C -0.188 174.636 174.900 -0.127 0.000 1.041 263 G CA 0.092 45.067 45.100 -0.209 0.000 0.807 263 G HN 0.282 nan 8.290 nan 0.000 0.502 264 K N -0.365 119.984 120.400 -0.085 0.000 2.095 264 K HA 0.390 4.710 4.320 -0.000 0.000 0.252 264 K C 1.411 178.001 176.600 -0.016 0.000 0.977 264 K CA -0.231 56.041 56.287 -0.023 0.000 0.900 264 K CB 1.387 33.905 32.500 0.031 0.000 1.060 264 K HN 0.435 nan 8.250 nan 0.000 0.449 265 K N -0.322 120.081 120.400 0.005 0.000 2.361 265 K HA -0.018 4.302 4.320 -0.000 0.000 0.196 265 K C 0.030 176.653 176.600 0.040 0.000 1.039 265 K CA 0.606 56.902 56.287 0.015 0.000 1.001 265 K CB 0.218 32.724 32.500 0.010 0.000 0.795 265 K HN 0.673 nan 8.250 nan 0.000 0.495 266 E N 0.040 120.273 120.200 0.056 0.000 2.401 266 E HA 0.321 4.671 4.350 -0.000 0.000 0.280 266 E C -3.039 173.638 176.600 0.128 0.000 1.039 266 E CA -2.412 54.038 56.400 0.084 0.000 0.814 266 E CB 1.349 31.086 29.700 0.061 0.000 1.275 266 E HN -0.162 nan 8.360 nan 0.000 0.448 267 P HA 0.113 nan 4.420 nan 0.000 0.277 267 P C -0.629 176.820 177.300 0.249 0.000 1.240 267 P CA -0.435 62.805 63.100 0.234 0.000 0.798 267 P CB 0.551 32.407 31.700 0.261 0.000 0.979 268 F N 1.840 121.870 119.950 0.133 0.000 2.553 268 F HA 0.308 4.835 4.527 -0.000 0.000 0.356 268 F C 1.455 177.311 175.800 0.094 0.000 1.142 268 F CA 1.399 59.464 58.000 0.108 0.000 1.322 268 F CB -0.146 38.917 39.000 0.104 0.000 1.126 268 F HN 0.699 nan 8.300 nan 0.000 0.599 269 G N 5.906 114.327 108.800 -0.633 0.000 2.386 269 G HA2 -0.398 3.562 3.960 -0.000 0.000 0.295 269 G HA3 -0.398 3.562 3.960 -0.000 0.000 0.295 269 G C 0.352 175.230 174.900 -0.037 0.000 0.979 269 G CA 0.772 45.666 45.100 -0.344 0.000 1.193 269 G HN 1.086 nan 8.290 nan 0.000 0.508 270 Y N 0.611 120.859 120.300 -0.087 0.000 2.081 270 Y HA -0.233 4.317 4.550 -0.000 0.000 0.280 270 Y C 2.585 178.475 175.900 -0.016 0.000 1.163 270 Y CA 2.578 60.677 58.100 -0.003 0.000 1.135 270 Y CB -0.101 38.382 38.460 0.039 0.000 0.970 270 Y HN 0.397 nan 8.280 nan 0.000 0.498 271 M N -0.054 119.609 119.600 0.106 0.000 2.296 271 M HA -0.076 4.404 4.480 -0.000 0.000 0.265 271 M C 2.332 178.575 176.300 -0.095 0.000 1.064 271 M CA 1.365 56.644 55.300 -0.034 0.000 1.109 271 M CB -1.747 30.879 32.600 0.043 0.000 1.396 271 M HN 0.524 nan 8.290 nan 0.000 0.430 272 G N -0.704 108.059 108.800 -0.061 0.000 2.421 272 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.217 272 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.217 272 G C 1.504 176.441 174.900 0.062 0.000 1.143 272 G CA 0.356 45.465 45.100 0.015 0.000 0.784 272 G HN 0.310 nan 8.290 nan 0.000 0.541 273 M N 0.266 119.813 119.600 -0.088 0.000 2.319 273 M HA 0.124 4.604 4.480 -0.000 0.000 0.265 273 M C 2.350 178.488 176.300 -0.271 0.000 1.068 273 M CA 0.761 55.958 55.300 -0.173 0.000 1.118 273 M CB 0.077 32.570 32.600 -0.178 0.000 1.395 273 M HN 0.044 nan 8.290 nan 0.000 0.435 274 V N -1.649 118.024 119.914 -0.401 0.000 2.407 274 V HA -0.217 3.903 4.120 -0.000 0.000 0.245 274 V C 1.873 177.753 176.094 -0.357 0.000 1.041 274 V CA 1.558 63.481 62.300 -0.628 0.000 1.040 274 V CB -0.833 30.426 31.823 -0.940 0.000 0.671 274 V HN 0.760 nan 8.190 nan 0.000 0.455 275 W N 1.431 122.537 121.300 -0.324 0.000 2.355 275 W HA -0.211 4.449 4.660 -0.000 0.000 0.309 275 W C 2.418 178.850 176.519 -0.146 0.000 1.206 275 W CA 2.249 59.474 57.345 -0.200 0.000 1.284 275 W CB -0.433 28.940 29.460 -0.146 0.000 1.145 275 W HN 0.184 nan 8.180 nan 0.000 0.502 276 A N 0.699 123.437 122.820 -0.137 0.000 1.873 276 A HA -0.276 4.044 4.320 -0.000 0.000 0.218 276 A C 2.065 179.439 177.584 -0.350 0.000 1.193 276 A CA 2.564 54.380 52.037 -0.369 0.000 0.629 276 A CB -1.027 17.890 19.000 -0.138 0.000 0.826 276 A HN 0.445 nan 8.150 nan 0.000 0.447 277 M N -1.724 117.739 119.600 -0.227 0.000 2.117 277 M HA -0.130 4.350 4.480 -0.000 0.000 0.262 277 M C 2.493 178.715 176.300 -0.131 0.000 1.065 277 M CA 1.778 57.015 55.300 -0.105 0.000 1.114 277 M CB -0.424 32.150 32.600 -0.044 0.000 1.361 277 M HN 0.434 nan 8.290 nan 0.000 0.408 278 M N -0.407 119.063 119.600 -0.216 0.000 2.159 278 M HA -0.177 4.303 4.480 -0.000 0.000 0.263 278 M C 2.305 178.509 176.300 -0.159 0.000 1.063 278 M CA 1.454 56.663 55.300 -0.153 0.000 1.110 278 M CB -0.111 32.387 32.600 -0.170 0.000 1.374 278 M HN 0.207 nan 8.290 nan 0.000 0.411 279 S N 0.700 116.170 115.700 -0.384 0.000 2.343 279 S HA -0.114 4.356 4.470 -0.000 0.000 0.219 279 S C 1.722 176.219 174.600 -0.172 0.000 1.033 279 S CA 1.305 59.293 58.200 -0.353 0.000 1.014 279 S CB -0.423 62.285 63.200 -0.819 0.000 0.915 279 S HN 0.412 nan 8.310 nan 0.000 0.435 280 I N 1.401 121.843 120.570 -0.213 0.000 2.236 280 I HA -0.227 3.943 4.170 -0.000 0.000 0.249 280 I C 2.560 178.560 176.117 -0.196 0.000 1.102 280 I CA 1.292 62.478 61.300 -0.190 0.000 1.365 280 I CB -0.854 37.104 38.000 -0.070 0.000 1.051 280 I HN 0.385 nan 8.210 nan 0.000 0.420 281 G N 0.405 109.176 108.800 -0.050 0.000 2.394 281 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.215 281 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.215 281 G C 1.527 176.556 174.900 0.215 0.000 1.165 281 G CA 0.342 45.480 45.100 0.064 0.000 0.784 281 G HN 0.338 nan 8.290 nan 0.000 0.535 282 F N 1.269 121.245 119.950 0.043 0.000 2.128 282 F HA 0.161 4.688 4.527 -0.000 0.000 0.295 282 F C 2.348 178.218 175.800 0.117 0.000 1.100 282 F CA 0.879 58.938 58.000 0.099 0.000 1.260 282 F CB -0.383 38.622 39.000 0.009 0.000 1.009 282 F HN 0.023 nan 8.300 nan 0.000 0.476 283 L N 0.104 121.147 121.223 -0.299 0.000 2.131 283 L HA -0.099 4.241 4.340 -0.000 0.000 0.210 283 L C 2.568 179.269 176.870 -0.282 0.000 1.092 283 L CA 1.136 55.743 54.840 -0.388 0.000 0.759 283 L CB -1.450 40.470 42.059 -0.232 0.000 0.903 283 L HN 0.348 nan 8.230 nan 0.000 0.435 284 G N -1.159 107.482 108.800 -0.265 0.000 2.653 284 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.212 284 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.212 284 G C 1.035 175.825 174.900 -0.183 0.000 1.138 284 G CA 0.205 45.157 45.100 -0.247 0.000 0.782 284 G HN 0.295 nan 8.290 nan 0.000 0.535 285 F N -0.306 119.572 119.950 -0.120 0.000 2.678 285 F HA 0.326 4.853 4.527 -0.000 0.000 0.305 285 F C 1.587 177.463 175.800 0.126 0.000 1.090 285 F CA -0.399 57.545 58.000 -0.092 0.000 1.272 285 F CB 0.604 39.544 39.000 -0.101 0.000 1.060 285 F HN 0.209 nan 8.300 nan 0.000 0.576 286 I N -1.894 118.813 120.570 0.229 0.000 3.491 286 I HA 0.282 4.452 4.170 -0.000 0.000 0.332 286 I C 0.244 176.515 176.117 0.257 0.000 1.565 286 I CA -0.067 61.437 61.300 0.340 0.000 1.050 286 I CB 0.212 38.278 38.000 0.109 0.000 1.348 286 I HN -0.098 nan 8.210 nan 0.000 0.506 287 V N -3.591 116.471 119.914 0.246 0.000 3.382 287 V HA 0.186 4.306 4.120 -0.000 0.000 0.296 287 V C 1.808 177.756 176.094 -0.244 0.000 1.529 287 V CA 0.055 62.379 62.300 0.040 0.000 1.048 287 V CB -0.836 30.837 31.823 -0.251 0.000 0.878 287 V HN 0.709 nan 8.190 nan 0.000 0.442 288 W N 2.830 124.080 121.300 -0.083 0.000 2.276 288 W HA -0.225 4.435 4.660 -0.000 0.000 0.307 288 W C 1.859 178.167 176.519 -0.351 0.000 1.240 288 W CA 2.411 59.702 57.345 -0.090 0.000 1.249 288 W CB -1.094 28.497 29.460 0.219 0.000 1.140 288 W HN 0.263 nan 8.180 nan 0.000 0.519 289 A N 1.608 123.592 122.820 -1.393 0.000 2.248 289 A HA -0.189 4.131 4.320 -0.000 0.000 0.210 289 A C 1.805 178.695 177.584 -1.155 0.000 1.174 289 A CA 1.294 52.501 52.037 -1.383 0.000 0.750 289 A CB -1.828 15.819 19.000 -2.255 0.000 0.780 289 A HN 0.827 nan 8.150 nan 0.000 0.478 290 H N -3.300 115.125 119.070 -1.074 0.000 2.561 290 H HA -0.003 4.553 4.556 -0.000 0.000 0.278 290 H C 0.854 175.272 175.328 -1.516 0.000 1.014 290 H CA 0.865 55.842 56.048 -1.785 0.000 1.211 290 H CB -0.318 28.880 29.762 -0.940 0.000 1.365 290 H HN 0.630 nan 8.280 nan 0.000 0.594 291 H N 0.506 119.158 119.070 -0.696 0.000 2.526 291 H HA 0.227 4.783 4.556 -0.000 0.000 0.274 291 H C 0.381 175.379 175.328 -0.549 0.000 0.999 291 H CA 0.321 55.922 56.048 -0.745 0.000 1.157 291 H CB 0.457 29.300 29.762 -1.532 0.000 1.407 291 H HN 0.483 nan 8.280 nan 0.000 0.568 292 M N -0.374 118.931 119.600 -0.492 0.000 3.470 292 M HA 0.098 4.578 4.480 -0.000 0.000 0.454 292 M C -0.117 176.088 176.300 -0.159 0.000 1.631 292 M CA -0.159 54.984 55.300 -0.261 0.000 0.732 292 M CB 0.564 33.058 32.600 -0.177 0.000 1.454 292 M HN -0.100 nan 8.290 nan 0.000 0.521 293 F N 0.730 120.533 119.950 -0.245 0.000 2.661 293 F HA 0.037 4.564 4.527 -0.000 0.000 0.298 293 F C 2.228 177.913 175.800 -0.191 0.000 1.137 293 F CA 0.923 58.807 58.000 -0.194 0.000 1.454 293 F CB -0.378 38.524 39.000 -0.164 0.000 1.103 293 F HN 0.242 nan 8.300 nan 0.000 0.577 294 T N -4.160 110.326 114.554 -0.112 0.000 3.293 294 T HA 0.299 4.649 4.350 -0.000 0.000 0.276 294 T C 0.980 175.646 174.700 -0.056 0.000 1.003 294 T CA 0.159 62.196 62.100 -0.105 0.000 0.916 294 T CB -0.125 68.629 68.868 -0.191 0.000 1.134 294 T HN -0.043 nan 8.240 nan 0.000 0.530 295 V N 0.417 120.314 119.914 -0.027 0.000 3.661 295 V HA 0.541 4.661 4.120 -0.000 0.000 0.271 295 V C 1.704 177.813 176.094 0.024 0.000 1.315 295 V CA 0.988 63.287 62.300 -0.002 0.000 1.072 295 V CB 0.325 32.133 31.823 -0.025 0.000 0.830 295 V HN 0.887 nan 8.190 nan 0.000 0.443 296 G N 0.143 108.963 108.800 0.034 0.000 2.148 296 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.157 296 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.157 296 G C 0.032 174.969 174.900 0.061 0.000 1.012 296 G CA -0.015 45.112 45.100 0.045 0.000 0.677 296 G HN 0.343 nan 8.290 nan 0.000 0.506 297 M N 1.002 120.647 119.600 0.075 0.000 2.202 297 M HA 0.315 4.795 4.480 -0.000 0.000 0.316 297 M C -0.023 176.326 176.300 0.082 0.000 1.138 297 M CA -0.419 54.941 55.300 0.099 0.000 1.151 297 M CB 0.194 32.874 32.600 0.133 0.000 1.422 297 M HN 0.029 nan 8.290 nan 0.000 0.471 298 D N 1.268 121.721 120.400 0.089 0.000 2.455 298 D HA -0.011 4.629 4.640 -0.000 0.000 0.241 298 D C 0.980 177.318 176.300 0.062 0.000 1.138 298 D CA -0.060 53.981 54.000 0.068 0.000 0.877 298 D CB 1.002 41.843 40.800 0.069 0.000 1.187 298 D HN 0.403 nan 8.370 nan 0.000 0.451 299 V N 2.778 122.712 119.914 0.033 0.000 2.282 299 V HA -0.307 3.813 4.120 -0.000 0.000 0.249 299 V C 1.408 177.516 176.094 0.024 0.000 1.057 299 V CA 2.064 64.370 62.300 0.010 0.000 1.032 299 V CB -0.110 31.709 31.823 -0.007 0.000 0.645 299 V HN 0.467 nan 8.190 nan 0.000 0.447 300 D N -0.384 120.038 120.400 0.036 0.000 2.133 300 D HA -0.174 4.466 4.640 -0.000 0.000 0.195 300 D C 2.266 178.619 176.300 0.089 0.000 0.997 300 D CA 2.123 56.150 54.000 0.045 0.000 0.840 300 D CB -0.429 40.392 40.800 0.036 0.000 0.947 300 D HN 0.681 nan 8.370 nan 0.000 0.452 301 T N -0.864 113.766 114.554 0.127 0.000 2.904 301 T HA -0.071 4.279 4.350 -0.000 0.000 0.267 301 T C 1.992 176.889 174.700 0.328 0.000 1.059 301 T CA 0.733 62.972 62.100 0.233 0.000 1.137 301 T CB 0.091 69.112 68.868 0.255 0.000 0.879 301 T HN -0.033 nan 8.240 nan 0.000 0.467 302 R N 0.301 120.918 120.500 0.196 0.000 2.152 302 R HA 0.193 4.533 4.340 -0.000 0.000 0.232 302 R C 2.744 179.039 176.300 -0.007 0.000 1.117 302 R CA 1.185 57.355 56.100 0.118 0.000 0.981 302 R CB -0.424 29.840 30.300 -0.059 0.000 0.870 302 R HN 0.557 nan 8.270 nan 0.000 0.451 303 A N -0.208 122.615 122.820 0.005 0.000 1.898 303 A HA -0.177 4.143 4.320 -0.000 0.000 0.214 303 A C 1.887 179.449 177.584 -0.038 0.000 1.183 303 A CA 0.934 52.946 52.037 -0.042 0.000 0.622 303 A CB -0.632 18.356 19.000 -0.019 0.000 0.824 303 A HN 0.478 nan 8.150 nan 0.000 0.444 304 Y N -0.243 120.023 120.300 -0.058 0.000 2.145 304 Y HA -0.223 4.327 4.550 -0.000 0.000 0.286 304 Y C 1.784 177.566 175.900 -0.196 0.000 1.145 304 Y CA 1.839 59.838 58.100 -0.169 0.000 1.148 304 Y CB -0.666 37.622 38.460 -0.286 0.000 0.981 304 Y HN 0.234 nan 8.280 nan 0.000 0.507 305 F N 0.376 120.081 119.950 -0.407 0.000 2.333 305 F HA -0.151 4.376 4.527 -0.000 0.000 0.300 305 F C 2.743 178.466 175.800 -0.129 0.000 1.083 305 F CA 1.789 59.572 58.000 -0.362 0.000 1.395 305 F CB -0.832 38.149 39.000 -0.032 0.000 1.056 305 F HN 0.297 nan 8.300 nan 0.000 0.529 306 T N -3.702 110.886 114.554 0.058 0.000 3.009 306 T HA -0.051 4.299 4.350 -0.000 0.000 0.258 306 T C 2.226 176.888 174.700 -0.063 0.000 1.063 306 T CA 1.258 63.393 62.100 0.059 0.000 1.139 306 T CB -0.437 68.390 68.868 -0.068 0.000 0.890 306 T HN 0.082 nan 8.240 nan 0.000 0.471 307 S N 1.685 117.290 115.700 -0.158 0.000 2.348 307 S HA 0.112 4.582 4.470 -0.000 0.000 0.221 307 S C 2.597 177.085 174.600 -0.187 0.000 1.033 307 S CA 1.171 59.281 58.200 -0.150 0.000 1.010 307 S CB -0.923 62.193 63.200 -0.141 0.000 0.891 307 S HN 0.773 nan 8.310 nan 0.000 0.442 308 A N 1.088 123.677 122.820 -0.385 0.000 1.908 308 A HA -0.128 4.192 4.320 -0.000 0.000 0.218 308 A C 2.270 179.749 177.584 -0.174 0.000 1.181 308 A CA 2.067 53.898 52.037 -0.343 0.000 0.627 308 A CB -1.321 17.278 19.000 -0.668 0.000 0.818 308 A HN 0.469 nan 8.150 nan 0.000 0.445 309 T N -0.236 114.253 114.554 -0.110 0.000 3.007 309 T HA -0.036 4.314 4.350 -0.000 0.000 0.270 309 T C 1.727 176.437 174.700 0.016 0.000 1.107 309 T CA 1.400 63.512 62.100 0.019 0.000 1.118 309 T CB -0.255 68.739 68.868 0.210 0.000 0.889 309 T HN 0.442 nan 8.240 nan 0.000 0.506 310 M N 0.491 120.083 119.600 -0.012 0.000 2.394 310 M HA 0.196 4.676 4.480 -0.000 0.000 0.266 310 M C 2.146 178.454 176.300 0.013 0.000 1.098 310 M CA 0.816 56.118 55.300 0.003 0.000 1.149 310 M CB -0.222 32.375 32.600 -0.006 0.000 1.369 310 M HN 0.309 nan 8.290 nan 0.000 0.450 311 I N -1.903 118.665 120.570 -0.003 0.000 2.700 311 I HA -0.199 3.971 4.170 -0.000 0.000 0.261 311 I C 1.965 178.096 176.117 0.023 0.000 1.219 311 I CA 1.182 62.494 61.300 0.019 0.000 1.463 311 I CB -0.676 37.336 38.000 0.020 0.000 1.092 311 I HN 0.212 nan 8.210 nan 0.000 0.452 312 I N 1.951 122.525 120.570 0.006 0.000 2.454 312 I HA -0.241 3.929 4.170 -0.000 0.000 0.254 312 I C 2.882 179.037 176.117 0.063 0.000 1.156 312 I CA 1.205 62.511 61.300 0.010 0.000 1.433 312 I CB -0.127 37.884 38.000 0.018 0.000 1.082 312 I HN 0.354 nan 8.210 nan 0.000 0.432 313 A N 0.842 123.707 122.820 0.074 0.000 1.972 313 A HA -0.165 4.155 4.320 -0.000 0.000 0.219 313 A C 2.178 179.821 177.584 0.098 0.000 1.169 313 A CA 1.173 53.264 52.037 0.091 0.000 0.635 313 A CB -0.587 18.458 19.000 0.074 0.000 0.810 313 A HN 0.385 nan 8.150 nan 0.000 0.446 314 I N 0.468 121.101 120.570 0.104 0.000 2.058 314 I HA -0.187 3.983 4.170 -0.000 0.000 0.235 314 I C -0.297 175.921 176.117 0.168 0.000 1.053 314 I CA 1.720 63.111 61.300 0.151 0.000 1.313 314 I CB -1.414 36.692 38.000 0.176 0.000 1.039 314 I HN 0.220 nan 8.210 nan 0.000 0.396 315 P HA -0.164 nan 4.420 nan 0.000 0.215 315 P C 1.653 178.948 177.300 -0.009 0.000 1.157 315 P CA 1.934 65.031 63.100 -0.006 0.000 0.874 315 P CB -0.393 31.101 31.700 -0.343 0.000 0.790 316 T N -0.326 114.237 114.554 0.016 0.000 2.737 316 T HA -0.127 4.223 4.350 -0.000 0.000 0.269 316 T C 2.112 176.786 174.700 -0.043 0.000 1.040 316 T CA 1.887 64.007 62.100 0.033 0.000 1.142 316 T CB -1.250 67.757 68.868 0.232 0.000 0.861 316 T HN 0.247 nan 8.240 nan 0.000 0.456 317 G N 1.487 110.293 108.800 0.010 0.000 2.422 317 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.218 317 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.218 317 G C 1.815 176.682 174.900 -0.055 0.000 1.146 317 G CA 1.176 46.245 45.100 -0.051 0.000 0.769 317 G HN 0.577 nan 8.290 nan 0.000 0.547 318 V N -0.862 119.092 119.914 0.067 0.000 2.759 318 V HA 0.014 4.134 4.120 -0.000 0.000 0.256 318 V C 2.330 178.356 176.094 -0.113 0.000 1.080 318 V CA 2.226 64.587 62.300 0.103 0.000 1.101 318 V CB -0.386 31.560 31.823 0.205 0.000 0.698 318 V HN 0.378 nan 8.190 nan 0.000 0.477 319 K N 0.418 120.599 120.400 -0.365 0.000 2.044 319 K HA 0.063 4.383 4.320 -0.000 0.000 0.204 319 K C 2.238 178.231 176.600 -1.011 0.000 1.049 319 K CA 1.318 57.082 56.287 -0.872 0.000 0.945 319 K CB -0.457 31.314 32.500 -1.214 0.000 0.724 319 K HN 0.420 nan 8.250 nan 0.000 0.440 320 V N 1.315 120.866 119.914 -0.604 0.000 2.332 320 V HA -0.240 3.880 4.120 -0.000 0.000 0.248 320 V C 2.034 178.022 176.094 -0.176 0.000 1.055 320 V CA 1.816 63.980 62.300 -0.227 0.000 1.038 320 V CB -0.531 31.162 31.823 -0.218 0.000 0.651 320 V HN 0.148 nan 8.190 nan 0.000 0.450 321 F N -0.028 119.915 119.950 -0.012 0.000 2.325 321 F HA -0.033 4.494 4.527 -0.000 0.000 0.299 321 F C 2.615 178.367 175.800 -0.079 0.000 1.090 321 F CA 1.101 59.089 58.000 -0.020 0.000 1.392 321 F CB -1.006 37.977 39.000 -0.029 0.000 1.053 321 F HN 0.021 nan 8.300 nan 0.000 0.521 322 S N -0.981 114.734 115.700 0.025 0.000 2.368 322 S HA -0.160 4.310 4.470 -0.000 0.000 0.224 322 S C 1.906 176.575 174.600 0.115 0.000 1.029 322 S CA 0.915 59.145 58.200 0.049 0.000 0.988 322 S CB -0.346 62.871 63.200 0.029 0.000 0.838 322 S HN 0.386 nan 8.310 nan 0.000 0.462 323 W N 1.197 122.549 121.300 0.086 0.000 2.363 323 W HA 0.002 4.662 4.660 -0.000 0.000 0.296 323 W C 1.791 178.349 176.519 0.064 0.000 1.212 323 W CA 0.274 57.665 57.345 0.076 0.000 1.260 323 W CB -1.193 28.307 29.460 0.066 0.000 1.131 323 W HN 0.299 nan 8.180 nan 0.000 0.530 324 L N 0.569 121.969 121.223 0.295 0.000 2.027 324 L HA -0.116 4.224 4.340 -0.000 0.000 0.206 324 L C 2.694 179.605 176.870 0.068 0.000 1.074 324 L CA 2.262 57.212 54.840 0.183 0.000 0.745 324 L CB -1.822 40.359 42.059 0.203 0.000 0.898 324 L HN -0.084 nan 8.230 nan 0.000 0.433 325 A N -1.422 121.357 122.820 -0.067 0.000 1.940 325 A HA -0.224 4.096 4.320 -0.000 0.000 0.219 325 A C 2.338 179.922 177.584 0.000 0.000 1.176 325 A CA 2.278 54.148 52.037 -0.279 0.000 0.631 325 A CB -0.988 17.360 19.000 -1.086 0.000 0.814 325 A HN 0.456 nan 8.150 nan 0.000 0.446 326 T N 0.393 115.029 114.554 0.137 0.000 2.833 326 T HA -0.051 4.299 4.350 -0.000 0.000 0.269 326 T C 1.676 176.466 174.700 0.149 0.000 1.054 326 T CA 1.416 63.642 62.100 0.211 0.000 1.135 326 T CB -0.326 68.700 68.868 0.263 0.000 0.869 326 T HN 0.409 nan 8.240 nan 0.000 0.466 327 L N -0.018 121.282 121.223 0.130 0.000 2.217 327 L HA 0.070 4.410 4.340 -0.000 0.000 0.211 327 L C 1.211 178.150 176.870 0.116 0.000 1.107 327 L CA 0.218 55.108 54.840 0.084 0.000 0.783 327 L CB -0.673 41.424 42.059 0.063 0.000 0.919 327 L HN 0.258 nan 8.230 nan 0.000 0.442 328 H N 1.341 120.420 119.070 0.014 0.000 3.187 328 H HA 0.147 4.703 4.556 -0.000 0.000 0.286 328 H C 1.170 176.507 175.328 0.016 0.000 0.944 328 H CA 0.189 56.240 56.048 0.006 0.000 1.429 328 H CB -0.011 29.741 29.762 -0.018 0.000 1.483 328 H HN 0.305 nan 8.280 nan 0.000 0.555 329 G N 3.262 111.949 108.800 -0.189 0.000 2.153 329 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.252 329 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.252 329 G C 0.683 175.524 174.900 -0.098 0.000 0.994 329 G CA 0.428 45.388 45.100 -0.234 0.000 0.698 329 G HN 1.013 nan 8.290 nan 0.000 0.521 330 G N -0.638 108.135 108.800 -0.045 0.000 2.504 330 G HA2 0.459 4.419 3.960 -0.000 0.000 0.288 330 G HA3 0.459 4.419 3.960 -0.000 0.000 0.288 330 G C 0.026 174.897 174.900 -0.049 0.000 1.182 330 G CA -0.001 45.076 45.100 -0.040 0.000 0.894 330 G HN 0.573 nan 8.290 nan 0.000 0.521 331 N N 0.346 119.010 118.700 -0.060 0.000 2.767 331 N HA 0.185 4.925 4.740 -0.000 0.000 0.238 331 N C -0.256 175.210 175.510 -0.074 0.000 1.083 331 N CA -0.555 52.462 53.050 -0.056 0.000 0.964 331 N CB -0.088 38.361 38.487 -0.063 0.000 1.252 331 N HN 0.235 nan 8.380 nan 0.000 0.512 332 I N 2.039 122.558 120.570 -0.084 0.000 2.587 332 I HA 0.013 4.183 4.170 -0.000 0.000 0.284 332 I C 0.868 176.886 176.117 -0.164 0.000 1.134 332 I CA 0.359 61.551 61.300 -0.180 0.000 1.410 332 I CB 0.415 38.214 38.000 -0.335 0.000 1.392 332 I HN 0.167 nan 8.210 nan 0.000 0.545 333 K N 6.979 127.296 120.400 -0.138 0.000 2.334 333 K HA 0.165 4.485 4.320 -0.000 0.000 0.265 333 K C -0.982 175.545 176.600 -0.122 0.000 1.039 333 K CA -0.617 55.660 56.287 -0.018 0.000 0.920 333 K CB 0.425 33.005 32.500 0.132 0.000 1.160 333 K HN 0.446 nan 8.250 nan 0.000 0.451 334 W N 3.616 124.891 121.300 -0.042 0.000 1.216 334 W HA -0.020 4.640 4.660 -0.000 0.000 0.512 334 W C 0.736 177.166 176.519 -0.149 0.000 0.575 334 W CA -0.193 57.085 57.345 -0.112 0.000 2.574 334 W CB -0.454 28.944 29.460 -0.104 0.000 1.070 334 W HN 0.324 nan 8.180 nan 0.000 0.266 335 S N -0.491 115.149 115.700 -0.100 0.000 2.632 335 S HA 0.342 4.812 4.470 -0.000 0.000 0.271 335 S C -1.472 172.988 174.600 -0.233 0.000 1.260 335 S CA -1.357 56.754 58.200 -0.148 0.000 1.010 335 S CB 1.758 64.809 63.200 -0.248 0.000 0.965 335 S HN -0.054 nan 8.310 nan 0.000 0.534 336 P HA -0.235 nan 4.420 nan 0.000 0.219 336 P C 1.599 178.826 177.300 -0.122 0.000 1.161 336 P CA 2.493 65.532 63.100 -0.100 0.000 0.909 336 P CB -0.247 31.506 31.700 0.088 0.000 0.793 337 A N -1.645 121.115 122.820 -0.100 0.000 2.019 337 A HA -0.194 4.126 4.320 -0.000 0.000 0.219 337 A C 2.147 179.567 177.584 -0.274 0.000 1.164 337 A CA 1.924 53.920 52.037 -0.069 0.000 0.644 337 A CB -1.324 17.583 19.000 -0.155 0.000 0.805 337 A HN 0.146 nan 8.150 nan 0.000 0.449 338 M N -0.608 118.677 119.600 -0.524 0.000 2.319 338 M HA 0.026 4.506 4.480 -0.000 0.000 0.265 338 M C 1.866 177.935 176.300 -0.384 0.000 1.068 338 M CA 1.523 56.539 55.300 -0.473 0.000 1.118 338 M CB -0.613 31.645 32.600 -0.570 0.000 1.395 338 M HN 0.435 nan 8.290 nan 0.000 0.435 339 M N -2.200 117.109 119.600 -0.486 0.000 2.156 339 M HA -0.144 4.336 4.480 -0.000 0.000 0.264 339 M C 1.890 177.745 176.300 -0.742 0.000 1.067 339 M CA 1.669 56.485 55.300 -0.805 0.000 1.131 339 M CB -0.745 31.002 32.600 -1.421 0.000 1.368 339 M HN 0.339 nan 8.290 nan 0.000 0.416 340 W N 0.716 121.752 121.300 -0.440 0.000 2.363 340 W HA -0.124 4.536 4.660 -0.000 0.000 0.296 340 W C 2.748 179.301 176.519 0.058 0.000 1.212 340 W CA 1.104 58.370 57.345 -0.132 0.000 1.260 340 W CB -0.412 28.987 29.460 -0.101 0.000 1.131 340 W HN 0.235 nan 8.180 nan 0.000 0.530 341 A N -0.030 122.857 122.820 0.111 0.000 1.898 341 A HA -0.124 4.196 4.320 -0.000 0.000 0.216 341 A C 1.922 179.565 177.584 0.097 0.000 1.181 341 A CA 1.226 53.275 52.037 0.019 0.000 0.620 341 A CB -0.911 18.006 19.000 -0.139 0.000 0.819 341 A HN 0.283 nan 8.150 nan 0.000 0.442 342 L N -0.763 120.493 121.223 0.054 0.000 2.093 342 L HA -0.079 4.261 4.340 -0.000 0.000 0.208 342 L C 2.819 179.891 176.870 0.337 0.000 1.085 342 L CA 0.936 55.852 54.840 0.128 0.000 0.755 342 L CB -0.820 41.257 42.059 0.030 0.000 0.904 342 L HN 0.492 nan 8.230 nan 0.000 0.435 343 G N 0.070 109.152 108.800 0.469 0.000 2.453 343 G HA2 -0.346 3.614 3.960 -0.000 0.000 0.215 343 G HA3 -0.346 3.614 3.960 -0.000 0.000 0.215 343 G C 1.454 176.794 174.900 0.733 0.000 1.201 343 G CA 0.783 46.367 45.100 0.806 0.000 0.784 343 G HN 0.279 nan 8.290 nan 0.000 0.545 344 F N 1.770 122.082 119.950 0.602 0.000 2.063 344 F HA -0.200 4.327 4.527 -0.000 0.000 0.298 344 F C 2.542 178.511 175.800 0.282 0.000 1.109 344 F CA 1.813 60.024 58.000 0.352 0.000 1.212 344 F CB -0.411 38.739 39.000 0.249 0.000 0.973 344 F HN 0.134 nan 8.300 nan 0.000 0.480 345 I N -0.966 119.963 120.570 0.598 0.000 2.248 345 I HA -0.335 3.835 4.170 -0.000 0.000 0.248 345 I C 2.288 178.668 176.117 0.438 0.000 1.107 345 I CA 1.732 63.322 61.300 0.483 0.000 1.373 345 I CB -0.620 37.593 38.000 0.355 0.000 1.055 345 I HN 0.275 nan 8.210 nan 0.000 0.418 346 F N 0.699 120.807 119.950 0.264 0.000 2.220 346 F HA -0.012 4.515 4.527 -0.000 0.000 0.290 346 F C 2.036 177.931 175.800 0.158 0.000 1.080 346 F CA 1.044 59.169 58.000 0.209 0.000 1.318 346 F CB -0.188 38.944 39.000 0.219 0.000 1.063 346 F HN -0.196 nan 8.300 nan 0.000 0.498 347 L N -0.056 121.165 121.223 -0.003 0.000 2.046 347 L HA -0.177 4.163 4.340 -0.000 0.000 0.208 347 L C 2.336 179.097 176.870 -0.181 0.000 1.077 347 L CA 1.656 56.403 54.840 -0.155 0.000 0.747 347 L CB -1.977 39.974 42.059 -0.179 0.000 0.896 347 L HN 0.311 nan 8.230 nan 0.000 0.432 348 F N 0.212 119.951 119.950 -0.351 0.000 2.216 348 F HA -0.201 4.326 4.527 -0.000 0.000 0.300 348 F C 2.295 177.973 175.800 -0.203 0.000 1.085 348 F CA 1.646 59.408 58.000 -0.398 0.000 1.326 348 F CB -0.401 38.121 39.000 -0.797 0.000 1.027 348 F HN 0.028 nan 8.300 nan 0.000 0.497 349 T N 0.392 114.840 114.554 -0.176 0.000 2.643 349 T HA -0.182 4.168 4.350 -0.000 0.000 0.264 349 T C 2.173 176.664 174.700 -0.349 0.000 1.045 349 T CA 1.849 63.825 62.100 -0.206 0.000 1.155 349 T CB -0.762 68.086 68.868 -0.034 0.000 0.863 349 T HN 0.135 nan 8.240 nan 0.000 0.420 350 V N 1.412 121.063 119.914 -0.438 0.000 2.252 350 V HA -0.190 3.930 4.120 -0.000 0.000 0.249 350 V C 2.839 178.700 176.094 -0.390 0.000 1.056 350 V CA 2.186 64.226 62.300 -0.433 0.000 1.022 350 V CB -1.308 30.196 31.823 -0.532 0.000 0.641 350 V HN 0.651 nan 8.190 nan 0.000 0.445 351 G N -0.867 107.702 108.800 -0.386 0.000 2.471 351 G HA2 -0.074 3.886 3.960 -0.000 0.000 0.219 351 G HA3 -0.074 3.886 3.960 -0.000 0.000 0.219 351 G C 1.433 176.150 174.900 -0.304 0.000 1.125 351 G CA 0.854 45.743 45.100 -0.351 0.000 0.775 351 G HN 0.628 nan 8.290 nan 0.000 0.548 352 G N 0.009 108.534 108.800 -0.458 0.000 2.662 352 G HA2 0.105 4.065 3.960 -0.000 0.000 0.212 352 G HA3 0.105 4.065 3.960 -0.000 0.000 0.212 352 G C 1.486 176.292 174.900 -0.157 0.000 1.141 352 G CA 0.115 45.011 45.100 -0.340 0.000 0.797 352 G HN 0.276 nan 8.290 nan 0.000 0.531 353 L N 0.737 121.857 121.223 -0.173 0.000 2.109 353 L HA 0.126 4.466 4.340 -0.000 0.000 0.207 353 L C 2.830 179.658 176.870 -0.070 0.000 1.086 353 L CA 1.584 56.364 54.840 -0.099 0.000 0.760 353 L CB -0.894 41.100 42.059 -0.108 0.000 0.910 353 L HN 0.136 nan 8.230 nan 0.000 0.437 354 T N -1.306 113.194 114.554 -0.090 0.000 2.915 354 T HA -0.071 4.279 4.350 -0.000 0.000 0.269 354 T C 1.507 176.173 174.700 -0.057 0.000 1.071 354 T CA 1.128 63.195 62.100 -0.054 0.000 1.132 354 T CB -0.214 68.554 68.868 -0.166 0.000 0.878 354 T HN 0.512 nan 8.240 nan 0.000 0.479 355 G N 0.138 108.880 108.800 -0.096 0.000 2.813 355 G HA2 0.052 4.012 3.960 -0.000 0.000 0.209 355 G HA3 0.052 4.012 3.960 -0.000 0.000 0.209 355 G C 1.317 176.089 174.900 -0.213 0.000 1.150 355 G CA -0.081 44.789 45.100 -0.384 0.000 0.785 355 G HN 0.406 nan 8.290 nan 0.000 0.535 356 I N 0.565 121.078 120.570 -0.095 0.000 2.584 356 I HA 0.002 4.172 4.170 -0.000 0.000 0.255 356 I C 2.725 178.816 176.117 -0.044 0.000 1.145 356 I CA 0.531 61.799 61.300 -0.054 0.000 1.462 356 I CB -0.386 37.601 38.000 -0.022 0.000 1.102 356 I HN -0.001 nan 8.210 nan 0.000 0.433 357 V N 1.497 121.396 119.914 -0.024 0.000 2.255 357 V HA -0.266 3.854 4.120 -0.000 0.000 0.247 357 V C 2.512 178.587 176.094 -0.032 0.000 1.051 357 V CA 1.665 63.962 62.300 -0.005 0.000 1.018 357 V CB -0.512 31.357 31.823 0.077 0.000 0.641 357 V HN 0.326 nan 8.190 nan 0.000 0.445 358 L N 0.073 121.266 121.223 -0.050 0.000 2.362 358 L HA -0.071 4.269 4.340 -0.000 0.000 0.219 358 L C 2.600 179.449 176.870 -0.035 0.000 1.134 358 L CA 1.019 55.817 54.840 -0.070 0.000 0.807 358 L CB -0.850 41.100 42.059 -0.181 0.000 0.927 358 L HN 0.351 nan 8.230 nan 0.000 0.447 359 A N -0.148 122.640 122.820 -0.054 0.000 2.019 359 A HA -0.124 4.196 4.320 -0.000 0.000 0.219 359 A C 1.063 178.709 177.584 0.103 0.000 1.164 359 A CA 0.865 52.926 52.037 0.040 0.000 0.644 359 A CB -0.558 18.443 19.000 0.002 0.000 0.805 359 A HN 0.434 nan 8.150 nan 0.000 0.449 360 N N 1.400 120.100 118.700 -0.001 0.000 2.400 360 N HA 0.059 4.799 4.740 -0.000 0.000 0.267 360 N C 1.237 176.654 175.510 -0.154 0.000 1.208 360 N CA 0.712 53.713 53.050 -0.082 0.000 0.951 360 N CB 0.979 39.421 38.487 -0.074 0.000 1.227 360 N HN 0.560 nan 8.380 nan 0.000 0.488 361 S N 1.642 117.072 115.700 -0.451 0.000 2.383 361 S HA -0.237 4.233 4.470 -0.000 0.000 0.229 361 S C 2.108 176.498 174.600 -0.350 0.000 1.030 361 S CA 1.488 59.201 58.200 -0.812 0.000 1.002 361 S CB -0.344 61.976 63.200 -1.467 0.000 0.829 361 S HN 0.613 nan 8.310 nan 0.000 0.467 362 S N 2.696 118.245 115.700 -0.251 0.000 2.351 362 S HA -0.059 4.411 4.470 -0.000 0.000 0.220 362 S C 1.830 176.369 174.600 -0.102 0.000 1.035 362 S CA 1.218 59.329 58.200 -0.149 0.000 1.031 362 S CB -0.997 62.132 63.200 -0.118 0.000 0.928 362 S HN 0.358 nan 8.310 nan 0.000 0.433 363 L N 2.587 123.753 121.223 -0.095 0.000 2.141 363 L HA 0.061 4.401 4.340 -0.000 0.000 0.209 363 L C 2.021 178.857 176.870 -0.057 0.000 1.094 363 L CA 1.873 56.666 54.840 -0.078 0.000 0.763 363 L CB -1.102 40.903 42.059 -0.089 0.000 0.908 363 L HN 0.345 nan 8.230 nan 0.000 0.437 364 D N -1.025 119.359 120.400 -0.027 0.000 2.263 364 D HA -0.197 4.443 4.640 -0.000 0.000 0.208 364 D C 2.166 178.510 176.300 0.074 0.000 0.971 364 D CA 0.651 54.686 54.000 0.059 0.000 0.867 364 D CB 0.086 41.018 40.800 0.220 0.000 0.929 364 D HN 0.220 nan 8.370 nan 0.000 0.492 365 I N 0.546 121.128 120.570 0.019 0.000 2.194 365 I HA -0.202 3.968 4.170 -0.000 0.000 0.246 365 I C 2.460 178.610 176.117 0.054 0.000 1.093 365 I CA 1.115 62.431 61.300 0.026 0.000 1.355 365 I CB -1.176 36.819 38.000 -0.009 0.000 1.046 365 I HN 0.165 nan 8.210 nan 0.000 0.413 366 V N -1.248 118.679 119.914 0.022 0.000 3.590 366 V HA 0.118 4.238 4.120 -0.000 0.000 0.265 366 V C 1.794 177.889 176.094 0.003 0.000 1.239 366 V CA 0.587 62.898 62.300 0.017 0.000 1.117 366 V CB 0.235 32.054 31.823 -0.006 0.000 0.818 366 V HN 0.280 nan 8.190 nan 0.000 0.451 367 L N -0.068 121.152 121.223 -0.005 0.000 2.408 367 L HA 0.318 4.658 4.340 -0.000 0.000 0.215 367 L C 1.368 178.268 176.870 0.049 0.000 1.081 367 L CA 0.158 54.979 54.840 -0.032 0.000 0.840 367 L CB -0.395 41.584 42.059 -0.133 0.000 1.002 367 L HN 0.493 nan 8.230 nan 0.000 0.468 368 H N 1.030 120.100 119.070 -0.001 0.000 3.016 368 H HA -0.130 4.426 4.556 -0.000 0.000 0.345 368 H C 0.381 175.717 175.328 0.014 0.000 1.066 368 H CA 0.668 56.723 56.048 0.012 0.000 1.390 368 H CB 0.172 29.951 29.762 0.027 0.000 1.344 368 H HN 0.131 nan 8.280 nan 0.000 0.605 369 D N 1.896 121.799 120.400 -0.828 0.000 2.811 369 D HA -0.216 4.424 4.640 -0.000 0.000 0.231 369 D C -0.287 175.861 176.300 -0.253 0.000 1.157 369 D CA 1.420 55.071 54.000 -0.581 0.000 0.716 369 D CB -0.802 39.631 40.800 -0.612 0.000 1.077 369 D HN 0.770 nan 8.370 nan 0.000 0.428 370 T N -4.133 110.327 114.554 -0.156 0.000 2.773 370 T HA 0.418 4.768 4.350 -0.000 0.000 0.278 370 T C 0.962 175.624 174.700 -0.064 0.000 1.011 370 T CA -0.695 61.363 62.100 -0.069 0.000 1.014 370 T CB 0.878 69.744 68.868 -0.002 0.000 1.293 370 T HN -0.085 nan 8.240 nan 0.000 0.554 371 Y N -0.651 119.582 120.300 -0.112 0.000 2.583 371 Y HA 0.132 4.682 4.550 -0.000 0.000 0.293 371 Y C 1.957 177.779 175.900 -0.129 0.000 1.157 371 Y CA 0.279 58.304 58.100 -0.125 0.000 1.315 371 Y CB -0.516 37.846 38.460 -0.163 0.000 1.021 371 Y HN 0.791 nan 8.280 nan 0.000 0.536 372 Y N -0.660 119.581 120.300 -0.098 0.000 2.242 372 Y HA -0.211 4.339 4.550 -0.000 0.000 0.291 372 Y C 2.514 178.298 175.900 -0.194 0.000 1.137 372 Y CA 1.612 59.605 58.100 -0.177 0.000 1.181 372 Y CB -0.343 38.049 38.460 -0.113 0.000 0.989 372 Y HN 0.009 nan 8.280 nan 0.000 0.527 373 V N -1.041 118.885 119.914 0.019 0.000 2.667 373 V HA -0.129 3.991 4.120 -0.000 0.000 0.252 373 V C 1.826 177.845 176.094 -0.126 0.000 1.065 373 V CA 1.806 64.119 62.300 0.021 0.000 1.083 373 V CB -0.634 31.254 31.823 0.108 0.000 0.692 373 V HN 0.245 nan 8.190 nan 0.000 0.468 374 V N 0.968 120.675 119.914 -0.345 0.000 2.626 374 V HA -0.087 4.033 4.120 -0.000 0.000 0.252 374 V C 2.925 178.599 176.094 -0.700 0.000 1.067 374 V CA 1.822 63.649 62.300 -0.787 0.000 1.081 374 V CB -1.123 30.346 31.823 -0.589 0.000 0.686 374 V HN 0.673 nan 8.190 nan 0.000 0.468 375 A N 0.042 122.564 122.820 -0.498 0.000 1.872 375 A HA -0.232 4.088 4.320 -0.000 0.000 0.214 375 A C 2.120 179.411 177.584 -0.489 0.000 1.187 375 A CA 1.898 53.619 52.037 -0.526 0.000 0.614 375 A CB -0.827 17.563 19.000 -1.015 0.000 0.826 375 A HN 0.714 nan 8.150 nan 0.000 0.442 376 H N 0.290 119.011 119.070 -0.583 0.000 2.289 376 H HA -0.239 4.317 4.556 -0.000 0.000 0.296 376 H C 1.588 176.780 175.328 -0.227 0.000 1.091 376 H CA 2.626 58.439 56.048 -0.391 0.000 1.274 376 H CB -0.663 28.936 29.762 -0.272 0.000 1.364 376 H HN 0.602 nan 8.280 nan 0.000 0.490 377 F N -1.458 118.213 119.950 -0.466 0.000 2.661 377 F HA 0.142 4.669 4.527 -0.000 0.000 0.298 377 F C 1.626 177.067 175.800 -0.597 0.000 1.137 377 F CA 0.711 58.343 58.000 -0.612 0.000 1.454 377 F CB -0.782 37.996 39.000 -0.370 0.000 1.103 377 F HN 0.176 nan 8.300 nan 0.000 0.577 378 H N -1.916 116.752 119.070 -0.670 0.000 2.525 378 H HA 0.062 4.618 4.556 -0.000 0.000 0.275 378 H C 1.356 176.280 175.328 -0.674 0.000 0.984 378 H CA 1.397 56.948 56.048 -0.829 0.000 1.264 378 H CB -0.226 28.520 29.762 -1.694 0.000 1.432 378 H HN 0.227 nan 8.280 nan 0.000 0.549 379 Y N 0.176 120.165 120.300 -0.519 0.000 2.133 379 Y HA -0.223 4.327 4.550 -0.000 0.000 0.287 379 Y C 2.602 178.259 175.900 -0.404 0.000 1.134 379 Y CA 1.511 59.363 58.100 -0.413 0.000 1.133 379 Y CB -0.489 37.762 38.460 -0.348 0.000 0.987 379 Y HN 0.154 nan 8.280 nan 0.000 0.502 380 V N -2.001 117.749 119.914 -0.273 0.000 2.427 380 V HA -0.194 3.926 4.120 -0.000 0.000 0.248 380 V C 1.887 177.870 176.094 -0.186 0.000 1.051 380 V CA 1.670 63.832 62.300 -0.229 0.000 1.048 380 V CB -0.881 30.775 31.823 -0.278 0.000 0.666 380 V HN 0.375 nan 8.190 nan 0.000 0.456 381 L N 0.096 121.168 121.223 -0.252 0.000 2.145 381 L HA 0.051 4.391 4.340 -0.000 0.000 0.201 381 L C 2.818 179.582 176.870 -0.177 0.000 1.075 381 L CA 1.593 56.299 54.840 -0.222 0.000 0.773 381 L CB -0.430 41.453 42.059 -0.293 0.000 0.936 381 L HN 0.396 nan 8.230 nan 0.000 0.451 382 S N -0.826 114.732 115.700 -0.238 0.000 2.470 382 S HA 0.095 4.565 4.470 -0.000 0.000 0.225 382 S C 1.510 176.009 174.600 -0.168 0.000 1.006 382 S CA 0.579 58.697 58.200 -0.136 0.000 0.934 382 S CB 0.145 63.255 63.200 -0.150 0.000 0.778 382 S HN 0.275 nan 8.310 nan 0.000 0.517 383 M N 0.050 119.418 119.600 -0.386 0.000 2.502 383 M HA 0.343 4.823 4.480 -0.000 0.000 0.351 383 M C 0.982 176.951 176.300 -0.551 0.000 1.118 383 M CA -0.158 54.659 55.300 -0.805 0.000 0.952 383 M CB 1.464 33.529 32.600 -0.891 0.000 1.424 383 M HN 0.345 nan 8.290 nan 0.000 0.529 384 G N -0.435 108.259 108.800 -0.177 0.000 2.509 384 G HA2 0.305 4.265 3.960 -0.000 0.000 0.168 384 G HA3 0.305 4.265 3.960 -0.000 0.000 0.168 384 G C 1.162 176.260 174.900 0.330 0.000 1.415 384 G CA 0.542 45.628 45.100 -0.023 0.000 0.686 384 G HN 0.248 nan 8.290 nan 0.000 0.677 385 A N 0.351 123.263 122.820 0.154 0.000 1.917 385 A HA 0.046 4.366 4.320 -0.000 0.000 0.219 385 A C 2.521 180.194 177.584 0.150 0.000 1.182 385 A CA 2.389 54.501 52.037 0.126 0.000 0.633 385 A CB -0.827 18.165 19.000 -0.014 0.000 0.819 385 A HN 0.464 nan 8.150 nan 0.000 0.448 386 V N -1.401 118.604 119.914 0.150 0.000 2.358 386 V HA -0.182 3.938 4.120 -0.000 0.000 0.246 386 V C 2.293 178.558 176.094 0.285 0.000 1.047 386 V CA 1.761 64.169 62.300 0.181 0.000 1.035 386 V CB -0.889 31.047 31.823 0.188 0.000 0.658 386 V HN 0.530 nan 8.190 nan 0.000 0.452 387 F N 0.908 120.966 119.950 0.180 0.000 2.171 387 F HA -0.093 4.434 4.527 -0.000 0.000 0.300 387 F C 2.388 178.279 175.800 0.151 0.000 1.090 387 F CA 0.942 59.127 58.000 0.308 0.000 1.293 387 F CB -1.182 38.175 39.000 0.596 0.000 1.013 387 F HN 0.118 nan 8.300 nan 0.000 0.486 388 A N 0.098 123.116 122.820 0.329 0.000 1.898 388 A HA -0.125 4.195 4.320 -0.000 0.000 0.216 388 A C 2.336 179.892 177.584 -0.046 0.000 1.181 388 A CA 1.386 53.448 52.037 0.042 0.000 0.620 388 A CB -1.009 17.965 19.000 -0.044 0.000 0.819 388 A HN 0.340 nan 8.150 nan 0.000 0.442 389 I N -0.519 120.052 120.570 0.002 0.000 2.286 389 I HA -0.283 3.887 4.170 -0.000 0.000 0.248 389 I C 2.599 178.710 176.117 -0.009 0.000 1.115 389 I CA 1.154 62.468 61.300 0.023 0.000 1.392 389 I CB -0.274 37.783 38.000 0.095 0.000 1.065 389 I HN 0.309 nan 8.210 nan 0.000 0.418 390 M N 0.049 119.495 119.600 -0.258 0.000 2.123 390 M HA -0.063 4.417 4.480 -0.000 0.000 0.263 390 M C 2.475 178.487 176.300 -0.480 0.000 1.069 390 M CA 1.803 56.753 55.300 -0.582 0.000 1.133 390 M CB -1.748 29.857 32.600 -1.659 0.000 1.356 390 M HN 0.292 nan 8.290 nan 0.000 0.415 391 G N 0.102 108.663 108.800 -0.399 0.000 2.421 391 G HA2 -0.144 3.816 3.960 -0.000 0.000 0.216 391 G HA3 -0.144 3.816 3.960 -0.000 0.000 0.216 391 G C 1.573 176.453 174.900 -0.033 0.000 1.171 391 G CA 1.113 46.172 45.100 -0.069 0.000 0.775 391 G HN 0.548 nan 8.290 nan 0.000 0.543 392 G N 0.141 108.909 108.800 -0.053 0.000 2.408 392 G HA2 -0.138 3.822 3.960 -0.000 0.000 0.217 392 G HA3 -0.138 3.822 3.960 -0.000 0.000 0.217 392 G C 1.609 176.743 174.900 0.390 0.000 1.150 392 G CA 0.878 45.993 45.100 0.024 0.000 0.776 392 G HN 0.375 nan 8.290 nan 0.000 0.542 393 F N 1.972 122.110 119.950 0.315 0.000 2.113 393 F HA -0.117 4.410 4.527 -0.000 0.000 0.297 393 F C 2.726 178.712 175.800 0.309 0.000 1.103 393 F CA 1.934 60.248 58.000 0.522 0.000 1.248 393 F CB -0.359 38.872 39.000 0.384 0.000 0.999 393 F HN 0.058 nan 8.300 nan 0.000 0.475 394 V N -1.455 118.589 119.914 0.216 0.000 2.626 394 V HA -0.227 3.893 4.120 -0.000 0.000 0.252 394 V C 2.325 178.447 176.094 0.046 0.000 1.067 394 V CA 2.344 64.687 62.300 0.071 0.000 1.081 394 V CB -1.526 30.406 31.823 0.182 0.000 0.686 394 V HN 0.559 nan 8.190 nan 0.000 0.468 395 H N -1.004 118.015 119.070 -0.085 0.000 2.363 395 H HA -0.037 4.519 4.556 -0.000 0.000 0.301 395 H C 1.738 176.884 175.328 -0.304 0.000 1.074 395 H CA 2.134 58.037 56.048 -0.241 0.000 1.354 395 H CB -0.048 29.395 29.762 -0.532 0.000 1.397 395 H HN 0.542 nan 8.280 nan 0.000 0.516 396 W N -0.452 120.735 121.300 -0.189 0.000 3.220 396 W HA 0.074 4.734 4.660 -0.000 0.000 0.328 396 W C 1.174 177.117 176.519 -0.960 0.000 1.205 396 W CA -0.467 56.456 57.345 -0.704 0.000 1.773 396 W CB -0.615 28.294 29.460 -0.919 0.000 1.086 396 W HN 0.208 nan 8.180 nan 0.000 0.622 397 F N 2.945 122.585 119.950 -0.517 0.000 2.091 397 F HA -0.165 4.362 4.527 -0.000 0.000 0.299 397 F C -0.758 174.809 175.800 -0.389 0.000 1.103 397 F CA 1.793 59.474 58.000 -0.533 0.000 1.228 397 F CB -1.561 37.070 39.000 -0.615 0.000 0.984 397 F HN -0.251 nan 8.300 nan 0.000 0.477 398 P HA -0.183 nan 4.420 nan 0.000 0.218 398 P C 1.820 178.966 177.300 -0.257 0.000 1.148 398 P CA 1.367 64.339 63.100 -0.214 0.000 0.822 398 P CB -0.125 31.593 31.700 0.030 0.000 0.784 399 L N -2.195 118.774 121.223 -0.423 0.000 2.131 399 L HA -0.023 4.317 4.340 -0.000 0.000 0.206 399 L C 1.837 178.371 176.870 -0.559 0.000 1.087 399 L CA 1.847 56.350 54.840 -0.562 0.000 0.767 399 L CB -1.056 40.334 42.059 -1.115 0.000 0.917 399 L HN -0.171 nan 8.230 nan 0.000 0.441 400 F N -0.451 119.061 119.950 -0.731 0.000 2.234 400 F HA -0.026 4.501 4.527 -0.000 0.000 0.296 400 F C 2.777 178.318 175.800 -0.432 0.000 1.089 400 F CA 0.996 58.446 58.000 -0.917 0.000 1.343 400 F CB -1.409 37.019 39.000 -0.954 0.000 1.040 400 F HN 0.348 nan 8.300 nan 0.000 0.498 401 S N -1.501 113.963 115.700 -0.393 0.000 2.460 401 S HA 0.424 4.894 4.470 -0.000 0.000 0.226 401 S C 1.901 176.242 174.600 -0.431 0.000 1.057 401 S CA 0.630 58.604 58.200 -0.377 0.000 0.948 401 S CB 0.262 63.022 63.200 -0.734 0.000 0.822 401 S HN 0.508 nan 8.310 nan 0.000 0.512 402 G N -0.211 108.334 108.800 -0.424 0.000 2.195 402 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.224 402 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.224 402 G C -0.237 174.440 174.900 -0.371 0.000 0.990 402 G CA 0.169 45.046 45.100 -0.372 0.000 0.639 402 G HN 0.488 nan 8.290 nan 0.000 0.514 403 Y N 1.311 121.494 120.300 -0.196 0.000 2.528 403 Y HA 0.709 5.259 4.550 -0.000 0.000 0.335 403 Y C 0.963 176.812 175.900 -0.085 0.000 1.093 403 Y CA -0.734 57.285 58.100 -0.135 0.000 1.134 403 Y CB 1.642 39.996 38.460 -0.176 0.000 1.253 403 Y HN 0.310 nan 8.280 nan 0.000 0.478 404 T N -0.085 114.580 114.554 0.185 0.000 2.925 404 T HA 0.771 5.121 4.350 -0.000 0.000 0.285 404 T C -0.486 174.296 174.700 0.136 0.000 1.021 404 T CA -0.875 61.315 62.100 0.149 0.000 1.042 404 T CB 0.845 69.761 68.868 0.080 0.000 1.037 404 T HN 0.459 nan 8.240 nan 0.000 0.481 405 L N 2.047 123.332 121.223 0.102 0.000 2.399 405 L HA 0.427 4.767 4.340 -0.000 0.000 0.265 405 L C 1.003 177.893 176.870 0.032 0.000 1.089 405 L CA -1.158 53.669 54.840 -0.022 0.000 0.802 405 L CB 0.634 42.633 42.059 -0.100 0.000 1.180 405 L HN 0.720 nan 8.230 nan 0.000 0.454 406 N N 1.104 119.839 118.700 0.058 0.000 2.402 406 N HA -0.039 4.701 4.740 -0.000 0.000 0.259 406 N C 0.198 175.802 175.510 0.158 0.000 1.167 406 N CA -0.008 53.126 53.050 0.139 0.000 0.949 406 N CB 0.953 39.614 38.487 0.290 0.000 1.212 406 N HN 0.543 nan 8.380 nan 0.000 0.493 407 D N 2.100 122.561 120.400 0.102 0.000 2.190 407 D HA -0.139 4.501 4.640 -0.000 0.000 0.200 407 D C 1.170 177.529 176.300 0.099 0.000 0.992 407 D CA 1.612 55.668 54.000 0.094 0.000 0.854 407 D CB 0.286 41.121 40.800 0.059 0.000 0.936 407 D HN 0.545 nan 8.370 nan 0.000 0.462 408 T N -1.269 113.322 114.554 0.062 0.000 2.812 408 T HA -0.106 4.244 4.350 -0.000 0.000 0.264 408 T C 1.683 176.427 174.700 0.073 0.000 1.042 408 T CA 0.681 62.779 62.100 -0.004 0.000 1.140 408 T CB -0.413 68.372 68.868 -0.138 0.000 0.870 408 T HN 0.343 nan 8.240 nan 0.000 0.445 409 W N 1.392 122.759 121.300 0.110 0.000 2.363 409 W HA 0.009 4.669 4.660 -0.000 0.000 0.296 409 W C 2.792 179.422 176.519 0.185 0.000 1.212 409 W CA 0.432 57.872 57.345 0.159 0.000 1.260 409 W CB -0.206 29.353 29.460 0.166 0.000 1.131 409 W HN 0.197 nan 8.180 nan 0.000 0.530 410 A N 0.338 123.400 122.820 0.403 0.000 1.972 410 A HA -0.210 4.110 4.320 -0.000 0.000 0.219 410 A C 1.799 179.607 177.584 0.374 0.000 1.169 410 A CA 1.732 53.989 52.037 0.368 0.000 0.635 410 A CB -0.494 18.665 19.000 0.265 0.000 0.810 410 A HN 0.315 nan 8.150 nan 0.000 0.446 411 K N -0.866 119.684 120.400 0.251 0.000 2.243 411 K HA 0.192 4.512 4.320 -0.000 0.000 0.201 411 K C 1.620 178.348 176.600 0.214 0.000 1.051 411 K CA 0.731 57.121 56.287 0.171 0.000 0.970 411 K CB -0.135 32.406 32.500 0.068 0.000 0.755 411 K HN 0.482 nan 8.250 nan 0.000 0.465 412 I N 0.490 121.212 120.570 0.253 0.000 2.202 412 I HA -0.274 3.896 4.170 -0.000 0.000 0.242 412 I C 2.487 178.782 176.117 0.297 0.000 1.091 412 I CA 1.273 62.721 61.300 0.246 0.000 1.368 412 I CB -0.238 37.949 38.000 0.311 0.000 1.058 412 I HN 0.207 nan 8.210 nan 0.000 0.410 413 H N 0.837 120.082 119.070 0.292 0.000 2.353 413 H HA -0.300 4.256 4.556 -0.000 0.000 0.298 413 H C 1.959 177.437 175.328 0.250 0.000 1.103 413 H CA 2.137 58.363 56.048 0.297 0.000 1.293 413 H CB -0.444 29.542 29.762 0.373 0.000 1.372 413 H HN 0.348 nan 8.280 nan 0.000 0.501 414 F N 0.887 120.790 119.950 -0.078 0.000 2.051 414 F HA -0.109 4.418 4.527 -0.000 0.000 0.296 414 F C 2.615 178.218 175.800 -0.329 0.000 1.122 414 F CA 1.968 59.620 58.000 -0.579 0.000 1.201 414 F CB -1.162 37.322 39.000 -0.860 0.000 0.978 414 F HN 0.253 nan 8.300 nan 0.000 0.472 415 A N 0.895 123.595 122.820 -0.200 0.000 1.958 415 A HA -0.216 4.104 4.320 -0.000 0.000 0.221 415 A C 2.322 179.819 177.584 -0.145 0.000 1.178 415 A CA 2.328 54.238 52.037 -0.212 0.000 0.642 415 A CB -1.359 17.634 19.000 -0.011 0.000 0.816 415 A HN 0.588 nan 8.150 nan 0.000 0.453 416 I N -1.718 118.817 120.570 -0.057 0.000 2.162 416 I HA -0.222 3.948 4.170 -0.000 0.000 0.238 416 I C 2.649 178.751 176.117 -0.025 0.000 1.076 416 I CA 1.827 63.131 61.300 0.006 0.000 1.353 416 I CB -0.279 37.775 38.000 0.091 0.000 1.063 416 I HN 0.463 nan 8.210 nan 0.000 0.408 417 M N 0.300 119.859 119.600 -0.068 0.000 2.267 417 M HA -0.251 4.229 4.480 -0.000 0.000 0.263 417 M C 2.033 178.327 176.300 -0.009 0.000 1.063 417 M CA 1.800 57.094 55.300 -0.010 0.000 1.090 417 M CB -0.318 32.301 32.600 0.032 0.000 1.392 417 M HN 0.185 nan 8.290 nan 0.000 0.422 418 F N -0.370 119.364 119.950 -0.361 0.000 2.102 418 F HA -0.152 4.375 4.527 -0.000 0.000 0.298 418 F C 1.758 177.488 175.800 -0.117 0.000 1.105 418 F CA 1.771 59.592 58.000 -0.300 0.000 1.239 418 F CB -0.463 38.108 39.000 -0.714 0.000 0.991 418 F HN -0.037 nan 8.300 nan 0.000 0.474 419 V N 0.335 120.244 119.914 -0.008 0.000 2.223 419 V HA -0.215 3.905 4.120 -0.000 0.000 0.244 419 V C 2.784 178.837 176.094 -0.069 0.000 1.045 419 V CA 1.944 64.226 62.300 -0.030 0.000 1.000 419 V CB -1.703 30.137 31.823 0.029 0.000 0.635 419 V HN 0.511 nan 8.190 nan 0.000 0.445 420 G N 0.901 109.685 108.800 -0.027 0.000 2.719 420 G HA2 -0.337 3.623 3.960 -0.000 0.000 0.219 420 G HA3 -0.337 3.623 3.960 -0.000 0.000 0.219 420 G C 1.788 176.651 174.900 -0.062 0.000 1.234 420 G CA 2.558 47.646 45.100 -0.019 0.000 0.788 420 G HN 0.695 nan 8.290 nan 0.000 0.619 421 V N -0.673 119.220 119.914 -0.034 0.000 2.392 421 V HA -0.213 3.907 4.120 -0.000 0.000 0.249 421 V C 2.248 178.278 176.094 -0.108 0.000 1.059 421 V CA 2.518 64.811 62.300 -0.012 0.000 1.051 421 V CB -0.653 31.220 31.823 0.083 0.000 0.658 421 V HN 0.359 nan 8.190 nan 0.000 0.455 422 N N 0.061 118.629 118.700 -0.221 0.000 2.142 422 N HA -0.101 4.639 4.740 -0.000 0.000 0.186 422 N C 1.862 177.336 175.510 -0.059 0.000 1.023 422 N CA 2.114 55.033 53.050 -0.218 0.000 0.852 422 N CB -0.211 38.059 38.487 -0.361 0.000 0.998 422 N HN 0.636 nan 8.380 nan 0.000 0.424 423 M N 0.706 120.263 119.600 -0.072 0.000 2.296 423 M HA -0.096 4.384 4.480 -0.000 0.000 0.265 423 M C 1.474 177.730 176.300 -0.074 0.000 1.064 423 M CA 1.154 56.445 55.300 -0.014 0.000 1.109 423 M CB 0.004 32.601 32.600 -0.005 0.000 1.396 423 M HN -0.023 nan 8.290 nan 0.000 0.430 424 T N 0.287 114.702 114.554 -0.232 0.000 2.770 424 T HA -0.039 4.311 4.350 -0.000 0.000 0.263 424 T C 1.094 175.418 174.700 -0.627 0.000 1.039 424 T CA 1.398 63.196 62.100 -0.504 0.000 1.142 424 T CB -0.264 68.082 68.868 -0.871 0.000 0.868 424 T HN 0.370 nan 8.240 nan 0.000 0.435 425 F N -0.180 119.738 119.950 -0.053 0.000 2.619 425 F HA 0.345 4.872 4.527 -0.000 0.000 0.293 425 F C 1.722 177.605 175.800 0.138 0.000 1.119 425 F CA -0.982 57.005 58.000 -0.020 0.000 1.445 425 F CB -0.607 38.353 39.000 -0.066 0.000 1.119 425 F HN 0.035 nan 8.300 nan 0.000 0.573 426 F N 2.424 122.450 119.950 0.128 0.000 2.069 426 F HA -0.070 4.457 4.527 -0.000 0.000 0.298 426 F C -0.655 175.011 175.800 -0.222 0.000 1.113 426 F CA 1.069 59.108 58.000 0.065 0.000 1.214 426 F CB -1.806 37.178 39.000 -0.027 0.000 0.978 426 F HN -0.119 nan 8.300 nan 0.000 0.474 427 P HA -0.222 nan 4.420 nan 0.000 0.216 427 P C 1.360 178.349 177.300 -0.518 0.000 1.150 427 P CA 2.147 64.930 63.100 -0.530 0.000 0.843 427 P CB -0.263 31.397 31.700 -0.067 0.000 0.787 428 Q N -1.722 117.900 119.800 -0.297 0.000 2.325 428 Q HA -0.249 4.091 4.340 -0.000 0.000 0.211 428 Q C 1.772 177.585 176.000 -0.311 0.000 0.988 428 Q CA 1.376 57.049 55.803 -0.216 0.000 0.887 428 Q CB -0.805 27.897 28.738 -0.060 0.000 0.915 428 Q HN 0.547 nan 8.270 nan 0.000 0.440 429 H N -0.881 117.844 119.070 -0.575 0.000 2.389 429 H HA -0.094 4.462 4.556 -0.000 0.000 0.299 429 H C 1.414 176.598 175.328 -0.240 0.000 1.081 429 H CA 1.394 57.150 56.048 -0.488 0.000 1.345 429 H CB 0.029 29.292 29.762 -0.832 0.000 1.393 429 H HN 0.190 nan 8.280 nan 0.000 0.520 430 F N 0.250 120.053 119.950 -0.246 0.000 2.060 430 F HA -0.095 4.432 4.527 -0.000 0.000 0.295 430 F C 2.264 178.003 175.800 -0.103 0.000 1.120 430 F CA 0.752 58.590 58.000 -0.270 0.000 1.205 430 F CB -1.138 37.425 39.000 -0.727 0.000 0.986 430 F HN 0.048 nan 8.300 nan 0.000 0.470 431 L N -0.179 121.086 121.223 0.070 0.000 2.137 431 L HA -0.239 4.101 4.340 -0.000 0.000 0.213 431 L C 2.570 179.409 176.870 -0.052 0.000 1.085 431 L CA 1.558 56.383 54.840 -0.026 0.000 0.760 431 L CB -1.293 40.633 42.059 -0.222 0.000 0.893 431 L HN 0.337 nan 8.230 nan 0.000 0.434 432 G N -0.846 107.981 108.800 0.045 0.000 2.459 432 G HA2 -0.068 3.892 3.960 -0.000 0.000 0.213 432 G HA3 -0.068 3.892 3.960 -0.000 0.000 0.213 432 G C 1.606 176.542 174.900 0.061 0.000 1.155 432 G CA -0.000 45.148 45.100 0.081 0.000 0.811 432 G HN 0.182 nan 8.290 nan 0.000 0.534 433 L N 1.681 122.954 121.223 0.084 0.000 2.083 433 L HA -0.070 4.270 4.340 -0.000 0.000 0.209 433 L C 2.972 179.883 176.870 0.068 0.000 1.083 433 L CA 1.496 56.349 54.840 0.021 0.000 0.752 433 L CB -0.207 41.887 42.059 0.058 0.000 0.899 433 L HN 0.402 nan 8.230 nan 0.000 0.433 434 S N -0.896 114.884 115.700 0.134 0.000 2.660 434 S HA 0.140 4.610 4.470 -0.000 0.000 0.223 434 S C 1.448 176.190 174.600 0.237 0.000 0.963 434 S CA 0.385 58.708 58.200 0.204 0.000 0.932 434 S CB 0.194 63.588 63.200 0.323 0.000 0.775 434 S HN 0.587 nan 8.310 nan 0.000 0.531 435 G N 1.033 109.905 108.800 0.119 0.000 2.194 435 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.236 435 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.236 435 G C 0.024 174.922 174.900 -0.004 0.000 0.987 435 G CA 0.079 45.244 45.100 0.109 0.000 0.635 435 G HN 0.649 nan 8.290 nan 0.000 0.520 436 M N 2.401 121.800 119.600 -0.335 0.000 2.303 436 M HA 0.371 4.851 4.480 -0.000 0.000 0.350 436 M C -2.057 174.144 176.300 -0.164 0.000 1.518 436 M CA -1.007 53.986 55.300 -0.512 0.000 1.070 436 M CB 0.584 32.600 32.600 -0.974 0.000 1.910 436 M HN 0.014 nan 8.290 nan 0.000 0.458 437 P HA 0.197 nan 4.420 nan 0.000 0.274 437 P C -1.086 176.096 177.300 -0.197 0.000 1.246 437 P CA -0.120 62.753 63.100 -0.378 0.000 0.795 437 P CB 0.609 31.693 31.700 -1.027 0.000 1.006 438 R N 0.748 121.113 120.500 -0.225 0.000 2.541 438 R HA 0.448 4.788 4.340 -0.000 0.000 0.263 438 R C 0.364 176.651 176.300 -0.022 0.000 1.112 438 R CA -0.657 55.317 56.100 -0.211 0.000 1.170 438 R CB 0.104 30.248 30.300 -0.261 0.000 1.167 438 R HN 0.327 nan 8.270 nan 0.000 0.582 439 R N -0.952 119.636 120.500 0.147 0.000 3.758 439 R HA -0.198 4.142 4.340 -0.000 0.000 0.299 439 R C -1.090 175.538 176.300 0.546 0.000 1.182 439 R CA 0.832 57.127 56.100 0.325 0.000 0.809 439 R CB -1.517 28.907 30.300 0.207 0.000 1.249 439 R HN 0.365 nan 8.270 nan 0.000 0.497 440 Y N -0.476 119.994 120.300 0.284 0.000 2.360 440 Y HA 0.244 4.794 4.550 -0.000 0.000 0.337 440 Y C 1.471 177.330 175.900 -0.069 0.000 1.039 440 Y CA -1.453 56.732 58.100 0.141 0.000 1.109 440 Y CB 1.868 40.429 38.460 0.167 0.000 1.201 440 Y HN 0.082 nan 8.280 nan 0.000 0.458 441 S N -0.224 115.335 115.700 -0.236 0.000 2.548 441 S HA 0.158 4.628 4.470 -0.000 0.000 0.215 441 S C -0.048 174.376 174.600 -0.293 0.000 0.976 441 S CA 0.135 57.908 58.200 -0.713 0.000 0.908 441 S CB 0.242 63.023 63.200 -0.698 0.000 0.781 441 S HN 0.631 nan 8.310 nan 0.000 0.519 442 D N -0.323 120.002 120.400 -0.124 0.000 2.609 442 D HA 0.500 5.140 4.640 -0.000 0.000 0.239 442 D C -1.676 174.638 176.300 0.023 0.000 1.229 442 D CA -0.633 53.263 54.000 -0.174 0.000 0.808 442 D CB 1.861 42.509 40.800 -0.253 0.000 1.448 442 D HN 0.259 nan 8.370 nan 0.000 0.433 443 Y N -1.878 118.464 120.300 0.071 0.000 2.588 443 Y HA 0.729 5.279 4.550 -0.000 0.000 0.343 443 Y C -2.706 173.297 175.900 0.171 0.000 1.065 443 Y CA -2.378 55.845 58.100 0.206 0.000 1.038 443 Y CB 0.024 38.644 38.460 0.266 0.000 1.297 443 Y HN 0.036 nan 8.280 nan 0.000 0.467 444 P HA 0.036 nan 4.420 nan 0.000 0.267 444 P C 0.189 177.550 177.300 0.101 0.000 1.200 444 P CA 0.264 63.438 63.100 0.124 0.000 0.772 444 P CB 0.826 32.551 31.700 0.043 0.000 0.855 445 D N 1.952 122.348 120.400 -0.007 0.000 2.172 445 D HA -0.226 4.414 4.640 -0.000 0.000 0.196 445 D C 1.844 178.129 176.300 -0.024 0.000 0.999 445 D CA 1.951 55.949 54.000 -0.003 0.000 0.856 445 D CB -0.570 40.200 40.800 -0.049 0.000 0.934 445 D HN 0.399 nan 8.370 nan 0.000 0.453 446 A N 0.399 123.107 122.820 -0.187 0.000 1.986 446 A HA -0.222 4.098 4.320 -0.000 0.000 0.220 446 A C 1.512 178.985 177.584 -0.186 0.000 1.171 446 A CA 1.116 52.990 52.037 -0.271 0.000 0.640 446 A CB -0.976 17.763 19.000 -0.436 0.000 0.811 446 A HN 0.264 nan 8.150 nan 0.000 0.451 447 Y N 0.814 121.144 120.300 0.050 0.000 2.553 447 Y HA 0.037 4.587 4.550 -0.000 0.000 0.303 447 Y C 2.341 178.126 175.900 -0.191 0.000 1.194 447 Y CA 0.493 58.548 58.100 -0.074 0.000 1.305 447 Y CB -1.387 36.996 38.460 -0.129 0.000 1.045 447 Y HN 0.251 nan 8.280 nan 0.000 0.514 448 T N -0.354 114.272 114.554 0.120 0.000 2.788 448 T HA -0.253 4.097 4.350 -0.000 0.000 0.268 448 T C 2.080 176.747 174.700 -0.056 0.000 1.044 448 T CA 1.477 63.656 62.100 0.132 0.000 1.139 448 T CB -0.157 68.794 68.868 0.138 0.000 0.867 448 T HN 0.430 nan 8.240 nan 0.000 0.454 449 M N -0.347 119.119 119.600 -0.224 0.000 2.064 449 M HA -0.066 4.414 4.480 -0.000 0.000 0.260 449 M C 1.912 178.124 176.300 -0.146 0.000 1.073 449 M CA 1.815 56.919 55.300 -0.327 0.000 1.124 449 M CB -0.226 31.962 32.600 -0.686 0.000 1.326 449 M HN 0.385 nan 8.290 nan 0.000 0.410 450 W N 0.529 121.811 121.300 -0.030 0.000 2.342 450 W HA -0.163 4.497 4.660 -0.000 0.000 0.297 450 W C 2.058 178.503 176.519 -0.123 0.000 1.213 450 W CA 0.256 57.581 57.345 -0.034 0.000 1.251 450 W CB -0.627 28.837 29.460 0.008 0.000 1.136 450 W HN 0.343 nan 8.180 nan 0.000 0.526 451 N N -0.419 118.269 118.700 -0.021 0.000 2.409 451 N HA -0.068 4.672 4.740 -0.000 0.000 0.179 451 N C 1.451 176.939 175.510 -0.036 0.000 1.032 451 N CA 1.401 54.358 53.050 -0.154 0.000 0.898 451 N CB -0.201 38.007 38.487 -0.465 0.000 0.971 451 N HN 0.112 nan 8.380 nan 0.000 0.441 452 T N 1.471 116.025 114.554 0.000 0.000 2.851 452 T HA 0.122 4.472 4.350 -0.000 0.000 0.262 452 T C 2.127 176.838 174.700 0.018 0.000 1.043 452 T CA 0.379 62.485 62.100 0.010 0.000 1.140 452 T CB 0.180 69.045 68.868 -0.004 0.000 0.872 452 T HN 0.114 nan 8.240 nan 0.000 0.446 453 I N 0.745 121.353 120.570 0.064 0.000 2.163 453 I HA -0.158 4.012 4.170 -0.000 0.000 0.240 453 I C 2.779 178.927 176.117 0.052 0.000 1.081 453 I CA 0.884 62.239 61.300 0.092 0.000 1.353 453 I CB -0.448 37.680 38.000 0.214 0.000 1.054 453 I HN 0.222 nan 8.210 nan 0.000 0.407 454 S N 0.308 116.032 115.700 0.039 0.000 2.365 454 S HA -0.234 4.236 4.470 -0.000 0.000 0.225 454 S C 2.246 176.804 174.600 -0.070 0.000 1.039 454 S CA 2.290 60.458 58.200 -0.054 0.000 1.033 454 S CB -0.226 62.918 63.200 -0.093 0.000 0.887 454 S HN 0.400 nan 8.310 nan 0.000 0.447 455 S N 0.893 116.578 115.700 -0.025 0.000 2.382 455 S HA 0.006 4.476 4.470 -0.000 0.000 0.228 455 S C 1.887 176.523 174.600 0.059 0.000 1.027 455 S CA 1.413 59.624 58.200 0.020 0.000 0.991 455 S CB -0.348 62.873 63.200 0.035 0.000 0.823 455 S HN 0.516 nan 8.310 nan 0.000 0.469 456 M N 0.806 120.410 119.600 0.007 0.000 2.117 456 M HA -0.090 4.390 4.480 -0.000 0.000 0.262 456 M C 2.507 178.851 176.300 0.073 0.000 1.065 456 M CA 1.560 56.861 55.300 0.002 0.000 1.114 456 M CB -0.985 31.605 32.600 -0.017 0.000 1.361 456 M HN 0.474 nan 8.290 nan 0.000 0.408 457 G N 0.182 108.997 108.800 0.025 0.000 2.476 457 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.218 457 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.218 457 G C 1.568 176.477 174.900 0.014 0.000 1.164 457 G CA 1.448 46.547 45.100 -0.003 0.000 0.768 457 G HN 0.572 nan 8.290 nan 0.000 0.560 458 S N -0.172 115.535 115.700 0.012 0.000 2.440 458 S HA -0.068 4.402 4.470 -0.000 0.000 0.238 458 S C 2.051 176.697 174.600 0.077 0.000 1.010 458 S CA 1.236 59.446 58.200 0.018 0.000 0.972 458 S CB -0.462 62.749 63.200 0.018 0.000 0.774 458 S HN 0.192 nan 8.310 nan 0.000 0.501 459 F N 1.430 121.364 119.950 -0.026 0.000 2.293 459 F HA 0.346 4.873 4.527 -0.000 0.000 0.297 459 F C 2.091 177.896 175.800 0.008 0.000 1.089 459 F CA 0.048 58.045 58.000 -0.005 0.000 1.377 459 F CB -0.302 38.696 39.000 -0.003 0.000 1.051 459 F HN 0.194 nan 8.300 nan 0.000 0.511 460 I N -1.156 119.506 120.570 0.153 0.000 2.226 460 I HA -0.312 3.858 4.170 -0.000 0.000 0.245 460 I C 2.371 178.528 176.117 0.066 0.000 1.100 460 I CA 1.264 62.621 61.300 0.095 0.000 1.374 460 I CB -0.691 37.350 38.000 0.069 0.000 1.057 460 I HN -0.016 nan 8.210 nan 0.000 0.413 461 S N 1.039 116.768 115.700 0.049 0.000 2.359 461 S HA -0.206 4.264 4.470 -0.000 0.000 0.224 461 S C 1.961 176.591 174.600 0.050 0.000 1.035 461 S CA 1.399 59.636 58.200 0.061 0.000 1.018 461 S CB -0.517 62.721 63.200 0.063 0.000 0.876 461 S HN 0.327 nan 8.310 nan 0.000 0.448 462 L N 1.840 123.051 121.223 -0.020 0.000 2.013 462 L HA -0.170 4.170 4.340 -0.000 0.000 0.212 462 L C 2.260 179.125 176.870 -0.009 0.000 1.073 462 L CA 1.979 56.780 54.840 -0.066 0.000 0.753 462 L CB -1.337 40.587 42.059 -0.223 0.000 0.890 462 L HN 0.222 nan 8.230 nan 0.000 0.432 463 T N -0.150 114.414 114.554 0.018 0.000 2.720 463 T HA -0.193 4.157 4.350 -0.000 0.000 0.268 463 T C 1.887 176.650 174.700 0.105 0.000 1.037 463 T CA 1.430 63.561 62.100 0.052 0.000 1.144 463 T CB -0.584 68.326 68.868 0.070 0.000 0.864 463 T HN 0.570 nan 8.240 nan 0.000 0.444 464 A N 1.026 123.935 122.820 0.149 0.000 1.972 464 A HA -0.027 4.293 4.320 -0.000 0.000 0.219 464 A C 2.568 180.354 177.584 0.337 0.000 1.169 464 A CA 1.630 53.835 52.037 0.279 0.000 0.635 464 A CB -0.804 18.325 19.000 0.215 0.000 0.810 464 A HN 0.491 nan 8.150 nan 0.000 0.446 465 V N -2.252 117.779 119.914 0.195 0.000 3.129 465 V HA -0.043 4.077 4.120 -0.000 0.000 0.259 465 V C 1.933 178.062 176.094 0.059 0.000 1.116 465 V CA 1.711 64.096 62.300 0.141 0.000 1.127 465 V CB -0.495 31.380 31.823 0.087 0.000 0.742 465 V HN 0.513 nan 8.190 nan 0.000 0.474 466 M N -0.502 119.125 119.600 0.045 0.000 2.160 466 M HA 0.057 4.537 4.480 -0.000 0.000 0.264 466 M C 2.243 178.556 176.300 0.021 0.000 1.073 466 M CA 1.734 57.040 55.300 0.010 0.000 1.142 466 M CB -0.397 32.193 32.600 -0.016 0.000 1.358 466 M HN 0.300 nan 8.290 nan 0.000 0.422 467 L N 0.380 121.628 121.223 0.042 0.000 2.081 467 L HA -0.280 4.060 4.340 -0.000 0.000 0.212 467 L C 2.714 179.601 176.870 0.030 0.000 1.080 467 L CA 1.433 56.303 54.840 0.049 0.000 0.754 467 L CB -0.394 41.741 42.059 0.128 0.000 0.893 467 L HN 0.446 nan 8.230 nan 0.000 0.433 468 M N -0.893 118.653 119.600 -0.090 0.000 2.117 468 M HA -0.207 4.273 4.480 -0.000 0.000 0.262 468 M C 2.137 178.390 176.300 -0.079 0.000 1.065 468 M CA 1.714 56.867 55.300 -0.246 0.000 1.114 468 M CB -0.016 32.389 32.600 -0.325 0.000 1.361 468 M HN 0.063 nan 8.290 nan 0.000 0.408 469 V N 0.753 120.665 119.914 -0.004 0.000 2.332 469 V HA -0.300 3.820 4.120 -0.000 0.000 0.248 469 V C 2.198 178.358 176.094 0.110 0.000 1.055 469 V CA 2.241 64.572 62.300 0.051 0.000 1.038 469 V CB -1.131 30.720 31.823 0.047 0.000 0.651 469 V HN 0.621 nan 8.190 nan 0.000 0.450 470 F N 0.670 120.585 119.950 -0.059 0.000 2.095 470 F HA -0.194 4.333 4.527 -0.000 0.000 0.298 470 F C 2.173 177.977 175.800 0.005 0.000 1.104 470 F CA 1.659 59.627 58.000 -0.052 0.000 1.232 470 F CB -0.402 38.474 39.000 -0.207 0.000 0.987 470 F HN 0.052 nan 8.300 nan 0.000 0.475 471 I N 0.364 120.757 120.570 -0.294 0.000 2.194 471 I HA -0.359 3.811 4.170 -0.000 0.000 0.246 471 I C 2.478 178.412 176.117 -0.304 0.000 1.093 471 I CA 1.813 62.872 61.300 -0.402 0.000 1.355 471 I CB -0.577 37.315 38.000 -0.179 0.000 1.046 471 I HN 0.239 nan 8.210 nan 0.000 0.413 472 I N -0.627 119.858 120.570 -0.142 0.000 2.202 472 I HA -0.304 3.866 4.170 -0.000 0.000 0.242 472 I C 2.488 178.656 176.117 0.085 0.000 1.091 472 I CA 1.549 62.807 61.300 -0.070 0.000 1.368 472 I CB -0.456 37.628 38.000 0.140 0.000 1.058 472 I HN 0.400 nan 8.210 nan 0.000 0.410 473 W N 2.858 124.125 121.300 -0.056 0.000 2.332 473 W HA -0.330 4.330 4.660 -0.000 0.000 0.321 473 W C 2.529 178.985 176.519 -0.104 0.000 1.219 473 W CA 2.280 59.626 57.345 0.002 0.000 1.277 473 W CB -0.301 29.140 29.460 -0.032 0.000 1.161 473 W HN 0.269 nan 8.180 nan 0.000 0.476 474 E N 0.983 120.995 120.200 -0.313 0.000 2.209 474 E HA -0.177 4.173 4.350 -0.000 0.000 0.196 474 E C 1.871 178.170 176.600 -0.502 0.000 0.993 474 E CA 2.162 58.158 56.400 -0.674 0.000 0.819 474 E CB -1.101 28.242 29.700 -0.596 0.000 0.745 474 E HN 0.249 nan 8.360 nan 0.000 0.477 475 A N 0.031 122.631 122.820 -0.367 0.000 1.898 475 A HA -0.030 4.290 4.320 -0.000 0.000 0.216 475 A C 1.894 179.267 177.584 -0.352 0.000 1.181 475 A CA 1.314 53.172 52.037 -0.298 0.000 0.620 475 A CB -0.795 18.016 19.000 -0.315 0.000 0.819 475 A HN 0.334 nan 8.150 nan 0.000 0.442 476 F N -0.255 119.577 119.950 -0.198 0.000 2.456 476 F HA 0.151 4.678 4.527 -0.000 0.000 0.298 476 F C 2.579 178.104 175.800 -0.458 0.000 1.104 476 F CA 0.357 58.208 58.000 -0.248 0.000 1.435 476 F CB -0.282 38.681 39.000 -0.062 0.000 1.078 476 F HN 0.262 nan 8.300 nan 0.000 0.546 477 A N -1.061 121.466 122.820 -0.489 0.000 1.898 477 A HA -0.066 4.254 4.320 -0.000 0.000 0.214 477 A C 2.352 179.683 177.584 -0.421 0.000 1.183 477 A CA 1.641 53.308 52.037 -0.618 0.000 0.622 477 A CB -0.845 17.375 19.000 -1.299 0.000 0.824 477 A HN 0.227 nan 8.150 nan 0.000 0.444 478 S N -0.522 114.943 115.700 -0.392 0.000 2.406 478 S HA 0.013 4.483 4.470 -0.000 0.000 0.228 478 S C 0.364 174.810 174.600 -0.257 0.000 1.020 478 S CA 0.783 58.828 58.200 -0.259 0.000 0.965 478 S CB -0.167 62.919 63.200 -0.191 0.000 0.798 478 S HN 0.555 nan 8.310 nan 0.000 0.488 479 K N 0.926 121.075 120.400 -0.417 0.000 3.353 479 K HA -0.142 4.178 4.320 -0.000 0.000 0.272 479 K C -1.020 175.459 176.600 -0.202 0.000 1.071 479 K CA 0.281 56.233 56.287 -0.560 0.000 0.789 479 K CB -1.246 31.016 32.500 -0.397 0.000 1.325 479 K HN 0.387 nan 8.250 nan 0.000 0.464 480 R N 1.824 122.263 120.500 -0.102 0.000 2.408 480 R HA 0.116 4.456 4.340 -0.000 0.000 0.308 480 R C 0.004 176.409 176.300 0.175 0.000 1.210 480 R CA -0.236 55.887 56.100 0.038 0.000 1.115 480 R CB 0.424 30.736 30.300 0.021 0.000 1.127 480 R HN 0.249 nan 8.270 nan 0.000 0.523 481 E N 1.568 121.893 120.200 0.208 0.000 2.392 481 E HA 0.044 4.394 4.350 -0.000 0.000 0.264 481 E C -0.024 176.631 176.600 0.091 0.000 1.024 481 E CA -0.270 56.249 56.400 0.198 0.000 0.903 481 E CB 1.145 30.939 29.700 0.157 0.000 0.963 481 E HN 0.177 nan 8.360 nan 0.000 0.432 482 V N 4.766 124.711 119.914 0.051 0.000 2.655 482 V HA -0.068 4.052 4.120 -0.000 0.000 0.300 482 V C 1.172 177.276 176.094 0.017 0.000 1.044 482 V CA 0.525 62.840 62.300 0.024 0.000 1.095 482 V CB 0.576 32.407 31.823 0.014 0.000 0.952 482 V HN 0.706 nan 8.190 nan 0.000 0.485 483 L N 2.305 123.531 121.223 0.006 0.000 2.541 483 L HA 0.254 4.594 4.340 -0.000 0.000 0.187 483 L C 0.729 177.594 176.870 -0.008 0.000 1.098 483 L CA 0.706 55.548 54.840 0.003 0.000 0.846 483 L CB 0.498 42.558 42.059 0.002 0.000 1.151 483 L HN 0.648 nan 8.230 nan 0.000 0.492 484 T N 0.456 114.993 114.554 -0.028 0.000 2.861 484 T HA 0.546 4.896 4.350 -0.000 0.000 0.287 484 T C -0.750 173.894 174.700 -0.094 0.000 1.003 484 T CA -0.257 61.816 62.100 -0.045 0.000 0.977 484 T CB 2.853 71.697 68.868 -0.041 0.000 0.996 484 T HN -0.269 nan 8.240 nan 0.000 0.448 485 V N 3.051 122.890 119.914 -0.125 0.000 2.555 485 V HA 0.434 4.554 4.120 -0.000 0.000 0.302 485 V C -0.302 175.667 176.094 -0.208 0.000 1.038 485 V CA -0.919 61.223 62.300 -0.262 0.000 0.887 485 V CB 2.107 33.696 31.823 -0.390 0.000 0.991 485 V HN 0.823 nan 8.190 nan 0.000 0.434 486 D N 2.119 122.389 120.400 -0.217 0.000 2.383 486 D HA 0.524 5.164 4.640 -0.000 0.000 0.248 486 D C 0.796 177.005 176.300 -0.152 0.000 1.170 486 D CA -0.188 53.700 54.000 -0.186 0.000 0.977 486 D CB 0.546 41.184 40.800 -0.270 0.000 1.120 486 D HN 0.496 nan 8.370 nan 0.000 0.481 487 L N -0.074 121.056 121.223 -0.154 0.000 3.851 487 L HA -0.297 4.043 4.340 -0.000 0.000 0.438 487 L C 1.547 178.452 176.870 0.058 0.000 1.171 487 L CA 0.657 55.448 54.840 -0.081 0.000 0.895 487 L CB -2.204 39.733 42.059 -0.204 0.000 1.800 487 L HN 0.593 nan 8.230 nan 0.000 0.960 488 T N -5.660 108.926 114.554 0.052 0.000 3.007 488 T HA -0.159 4.191 4.350 -0.000 0.000 0.270 488 T C 1.798 176.588 174.700 0.150 0.000 1.107 488 T CA 1.224 63.408 62.100 0.141 0.000 1.118 488 T CB -0.367 68.582 68.868 0.136 0.000 0.889 488 T HN 0.628 nan 8.240 nan 0.000 0.506 489 T N 1.358 115.969 114.554 0.095 0.000 2.699 489 T HA -0.186 4.164 4.350 -0.000 0.000 0.268 489 T C 2.074 176.840 174.700 0.110 0.000 1.036 489 T CA 1.962 64.116 62.100 0.090 0.000 1.147 489 T CB -1.378 67.523 68.868 0.055 0.000 0.862 489 T HN 0.640 nan 8.240 nan 0.000 0.446 490 T N -1.018 113.605 114.554 0.116 0.000 3.060 490 T HA 0.205 4.555 4.350 -0.000 0.000 0.249 490 T C 0.816 175.636 174.700 0.199 0.000 1.079 490 T CA -0.347 61.830 62.100 0.129 0.000 1.013 490 T CB -0.122 68.802 68.868 0.093 0.000 0.975 490 T HN 0.369 nan 8.240 nan 0.000 0.518 491 N N 1.810 120.670 118.700 0.268 0.000 3.012 491 N HA 0.296 5.036 4.740 -0.000 0.000 0.270 491 N C 0.701 176.466 175.510 0.425 0.000 1.469 491 N CA -0.161 53.129 53.050 0.400 0.000 0.928 491 N CB 1.133 39.946 38.487 0.542 0.000 1.219 491 N HN 0.169 nan 8.380 nan 0.000 0.492 492 L N 1.291 122.705 121.223 0.318 0.000 2.283 492 L HA -0.217 4.123 4.340 -0.000 0.000 0.217 492 L C 2.480 179.535 176.870 0.308 0.000 1.104 492 L CA 1.646 56.664 54.840 0.297 0.000 0.772 492 L CB 0.058 42.267 42.059 0.250 0.000 0.899 492 L HN 0.478 nan 8.230 nan 0.000 0.439 493 E N -1.130 119.226 120.200 0.260 0.000 2.268 493 E HA -0.253 4.097 4.350 -0.000 0.000 0.195 493 E C 1.610 178.219 176.600 0.015 0.000 0.995 493 E CA 1.116 57.577 56.400 0.102 0.000 0.836 493 E CB -0.659 29.003 29.700 -0.062 0.000 0.763 493 E HN 0.622 nan 8.360 nan 0.000 0.491 494 W N 0.922 122.319 121.300 0.162 0.000 3.139 494 W HA 0.320 4.980 4.660 -0.000 0.000 0.260 494 W C 2.017 178.580 176.519 0.074 0.000 1.312 494 W CA -0.364 57.035 57.345 0.091 0.000 1.606 494 W CB -0.049 29.448 29.460 0.061 0.000 1.118 494 W HN -0.045 nan 8.180 nan 0.000 0.675 495 L N 0.849 122.246 121.223 0.291 0.000 2.353 495 L HA -0.143 4.197 4.340 -0.000 0.000 0.220 495 L C 1.350 178.275 176.870 0.093 0.000 1.133 495 L CA 1.023 55.972 54.840 0.182 0.000 0.798 495 L CB -0.363 41.803 42.059 0.178 0.000 0.922 495 L HN 0.131 nan 8.230 nan 0.000 0.445 496 N N -0.081 118.657 118.700 0.064 0.000 2.235 496 N HA 0.135 4.875 4.740 -0.000 0.000 0.209 496 N C 0.623 176.155 175.510 0.036 0.000 1.122 496 N CA 0.645 53.691 53.050 -0.006 0.000 0.845 496 N CB 0.950 39.375 38.487 -0.102 0.000 1.004 496 N HN 0.322 nan 8.380 nan 0.000 0.499 497 G N 0.746 109.598 108.800 0.087 0.000 2.781 497 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.683 497 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.683 497 G C -0.630 174.321 174.900 0.084 0.000 1.390 497 G CA -0.866 44.286 45.100 0.087 0.000 0.850 497 G HN 0.290 nan 8.290 nan 0.000 0.557 498 C N 3.021 122.361 119.300 0.066 0.000 2.271 498 C HA 0.712 5.172 4.460 -0.000 0.000 0.323 498 C C -1.275 173.687 174.990 -0.047 0.000 1.245 498 C CA -0.939 58.088 59.018 0.014 0.000 1.548 498 C CB 0.893 28.656 27.740 0.038 0.000 2.214 498 C HN 0.787 nan 8.230 nan 0.000 0.477 499 P HA 0.387 nan 4.420 nan 0.000 0.284 499 P C -2.635 174.710 177.300 0.075 0.000 1.258 499 P CA -1.586 61.531 63.100 0.029 0.000 0.824 499 P CB 0.660 32.406 31.700 0.076 0.000 1.038 500 P HA 0.120 nan 4.420 nan 0.000 0.269 500 P C -2.205 175.129 177.300 0.056 0.000 1.209 500 P CA -1.006 62.147 63.100 0.088 0.000 0.776 500 P CB -0.923 30.860 31.700 0.138 0.000 0.876 501 P HA -0.061 nan 4.420 nan 0.000 0.270 501 P C 0.791 178.098 177.300 0.012 0.000 1.223 501 P CA -0.067 63.051 63.100 0.029 0.000 0.785 501 P CB 0.510 32.226 31.700 0.027 0.000 0.923 502 Y N 1.607 121.820 120.300 -0.145 0.000 2.096 502 Y HA -0.240 4.310 4.550 -0.000 0.000 0.278 502 Y C 0.908 176.618 175.900 -0.316 0.000 1.192 502 Y CA 1.882 59.804 58.100 -0.296 0.000 1.143 502 Y CB -0.437 37.798 38.460 -0.376 0.000 0.963 502 Y HN 0.438 nan 8.280 nan 0.000 0.505 503 H N -0.291 118.841 119.070 0.104 0.000 2.685 503 H HA 0.324 4.880 4.556 -0.000 0.000 0.307 503 H C -0.267 175.063 175.328 0.002 0.000 1.017 503 H CA -0.424 55.651 56.048 0.044 0.000 1.237 503 H CB 0.782 30.603 29.762 0.098 0.000 1.409 503 H HN 0.024 nan 8.280 nan 0.000 0.488 504 T N -0.269 114.353 114.554 0.113 0.000 2.928 504 T HA 0.261 4.611 4.350 -0.000 0.000 0.284 504 T C 0.157 174.872 174.700 0.024 0.000 1.008 504 T CA -0.823 61.230 62.100 -0.079 0.000 1.057 504 T CB 0.763 69.558 68.868 -0.122 0.000 1.018 504 T HN 0.555 nan 8.240 nan 0.000 0.493 505 F N -0.761 119.224 119.950 0.058 0.000 3.093 505 F HA -0.205 4.322 4.527 -0.000 0.000 0.287 505 F C 1.302 177.107 175.800 0.009 0.000 0.882 505 F CA 0.464 58.482 58.000 0.030 0.000 1.063 505 F CB -2.554 36.454 39.000 0.014 0.000 1.097 505 F HN 0.789 nan 8.300 nan 0.000 0.604 506 E N 0.362 120.618 120.200 0.093 0.000 2.153 506 E HA -0.187 4.163 4.350 -0.000 0.000 0.194 506 E C 1.080 177.709 176.600 0.047 0.000 0.988 506 E CA 1.428 57.849 56.400 0.035 0.000 0.811 506 E CB 0.073 29.772 29.700 -0.001 0.000 0.746 506 E HN 0.652 nan 8.360 nan 0.000 0.466 507 E N 1.273 121.517 120.200 0.074 0.000 2.155 507 E HA 0.211 4.561 4.350 -0.000 0.000 0.264 507 E C -2.537 174.150 176.600 0.145 0.000 0.886 507 E CA -2.613 53.834 56.400 0.080 0.000 0.752 507 E CB 1.269 31.004 29.700 0.059 0.000 1.133 507 E HN -0.254 nan 8.360 nan 0.000 0.414 508 P HA -0.097 nan 4.420 nan 0.000 0.272 508 P C -0.378 177.037 177.300 0.191 0.000 1.225 508 P CA 0.165 63.348 63.100 0.139 0.000 0.800 508 P CB 0.354 32.093 31.700 0.064 0.000 0.894 509 T N -1.917 112.734 114.554 0.163 0.000 2.770 509 T HA 0.328 4.678 4.350 -0.000 0.000 0.281 509 T C -0.887 173.911 174.700 0.163 0.000 0.981 509 T CA -0.309 61.905 62.100 0.190 0.000 0.955 509 T CB 0.331 69.284 68.868 0.140 0.000 1.060 509 T HN 0.329 nan 8.240 nan 0.000 0.531 510 Y N 0.090 120.421 120.300 0.053 0.000 2.326 510 Y HA 0.586 5.136 4.550 -0.000 0.000 0.331 510 Y C -1.548 174.367 175.900 0.025 0.000 0.962 510 Y CA -1.049 57.070 58.100 0.032 0.000 1.167 510 Y CB 1.174 39.653 38.460 0.033 0.000 1.148 510 Y HN 0.576 nan 8.280 nan 0.000 0.463 511 V N 6.573 126.225 119.914 -0.437 0.000 2.525 511 V HA 0.273 4.393 4.120 -0.000 0.000 0.299 511 V C -0.486 175.348 176.094 -0.433 0.000 1.034 511 V CA -1.149 60.974 62.300 -0.294 0.000 0.863 511 V CB 1.657 33.401 31.823 -0.132 0.000 0.999 511 V HN 0.869 nan 8.190 nan 0.000 0.423 512 N N 2.425 120.930 118.700 -0.324 0.000 2.482 512 N HA 0.336 5.076 4.740 -0.000 0.000 0.260 512 N C -0.799 174.638 175.510 -0.122 0.000 1.236 512 N CA -0.635 52.283 53.050 -0.220 0.000 0.938 512 N CB 0.850 39.310 38.487 -0.044 0.000 1.128 512 N HN 0.405 nan 8.380 nan 0.000 0.448 513 L N 3.676 124.844 121.223 -0.091 0.000 2.353 513 L HA 0.234 4.574 4.340 -0.000 0.000 0.269 513 L C 0.085 176.940 176.870 -0.024 0.000 1.085 513 L CA -0.235 54.572 54.840 -0.054 0.000 0.938 513 L CB -0.319 41.709 42.059 -0.051 0.000 1.312 513 L HN 0.422 nan 8.230 nan 0.000 0.429 514 K N 0.000 120.391 120.400 -0.015 0.000 2.780 514 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 514 K CA 0.000 56.287 56.287 -0.000 0.000 0.838 514 K CB 0.000 32.502 32.500 0.003 0.000 1.064 514 K HN 0.000 nan 8.250 nan 0.000 0.543