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_N 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 0.000 176.318 176.300 0.030 0.000 1.140 1 M CA 0.000 55.292 55.300 -0.012 0.000 0.988 1 M CB 0.000 32.608 32.600 0.014 0.000 1.302 2 F N 2.363 122.300 119.950 -0.022 0.000 2.187 2 F HA 0.054 4.581 4.527 -0.000 0.000 0.295 2 F C 1.952 177.763 175.800 0.017 0.000 1.091 2 F CA 1.406 59.459 58.000 0.089 0.000 1.308 2 F CB 0.094 39.145 39.000 0.085 0.000 1.030 2 F HN 0.004 nan 8.300 nan 0.000 0.487 3 I N 1.101 121.720 120.570 0.081 0.000 2.099 3 I HA -0.351 3.819 4.170 -0.000 0.000 0.239 3 I C 1.849 177.625 176.117 -0.568 0.000 1.066 3 I CA 1.811 62.946 61.300 -0.276 0.000 1.324 3 I CB -1.791 35.938 38.000 -0.453 0.000 1.037 3 I HN 0.199 nan 8.210 nan 0.000 0.401 4 N N 0.392 118.813 118.700 -0.465 0.000 2.192 4 N HA -0.235 4.505 4.740 -0.000 0.000 0.188 4 N C 1.942 177.293 175.510 -0.265 0.000 1.013 4 N CA 1.387 54.250 53.050 -0.311 0.000 0.863 4 N CB -0.257 38.143 38.487 -0.145 0.000 0.990 4 N HN 0.346 nan 8.380 nan 0.000 0.430 5 R N -0.767 119.496 120.500 -0.396 0.000 2.064 5 R HA 0.032 4.372 4.340 -0.000 0.000 0.221 5 R C 1.080 176.818 176.300 -0.936 0.000 1.136 5 R CA 0.955 56.656 56.100 -0.665 0.000 0.980 5 R CB -0.133 29.675 30.300 -0.820 0.000 0.876 5 R HN 0.259 nan 8.270 nan 0.000 0.437 6 W N -0.299 120.777 121.300 -0.375 0.000 2.942 6 W HA 0.264 4.924 4.660 -0.000 0.000 0.263 6 W C 1.392 177.903 176.519 -0.012 0.000 1.296 6 W CA -0.198 56.956 57.345 -0.318 0.000 1.504 6 W CB 0.425 29.464 29.460 -0.702 0.000 1.096 6 W HN 0.049 nan 8.180 nan 0.000 0.639 7 L N -1.621 119.631 121.223 0.049 0.000 2.537 7 L HA 0.164 4.504 4.340 -0.000 0.000 0.224 7 L C 0.694 177.791 176.870 0.378 0.000 1.065 7 L CA 0.456 55.371 54.840 0.126 0.000 0.860 7 L CB -0.183 41.796 42.059 -0.134 0.000 1.086 7 L HN -0.132 nan 8.230 nan 0.000 0.482 8 F N 0.137 120.062 119.950 -0.041 0.000 2.772 8 F HA 0.291 4.818 4.527 -0.000 0.000 0.302 8 F C 1.283 177.056 175.800 -0.045 0.000 1.136 8 F CA -1.113 56.859 58.000 -0.046 0.000 1.322 8 F CB -0.702 38.261 39.000 -0.061 0.000 0.967 8 F HN -0.184 nan 8.300 nan 0.000 0.513 9 S N 1.033 116.807 115.700 0.123 0.000 2.566 9 S HA 0.240 4.710 4.470 -0.000 0.000 0.280 9 S C 1.012 175.624 174.600 0.019 0.000 1.343 9 S CA 0.787 58.980 58.200 -0.012 0.000 1.036 9 S CB 0.391 63.512 63.200 -0.132 0.000 0.866 9 S HN 0.506 nan 8.310 nan 0.000 0.526 10 T N 0.777 115.315 114.554 -0.026 0.000 3.794 10 T HA 0.307 4.657 4.350 -0.000 0.000 0.300 10 T C -0.582 174.075 174.700 -0.071 0.000 0.961 10 T CA -0.711 61.382 62.100 -0.011 0.000 1.025 10 T CB -0.615 68.271 68.868 0.030 0.000 1.175 10 T HN 0.515 nan 8.240 nan 0.000 0.474 11 N N 1.461 120.046 118.700 -0.191 0.000 2.442 11 N HA 0.181 4.921 4.740 -0.000 0.000 0.274 11 N C 1.070 176.351 175.510 -0.382 0.000 1.002 11 N CA -0.271 52.555 53.050 -0.373 0.000 0.910 11 N CB 1.480 39.519 38.487 -0.748 0.000 1.244 11 N HN 0.610 nan 8.380 nan 0.000 0.492 12 H N 3.257 122.111 119.070 -0.360 0.000 2.394 12 H HA -0.110 4.446 4.556 -0.000 0.000 0.297 12 H C 1.006 176.015 175.328 -0.531 0.000 1.113 12 H CA 1.601 57.440 56.048 -0.349 0.000 1.277 12 H CB 0.350 29.946 29.762 -0.277 0.000 1.370 12 H HN 0.461 nan 8.280 nan 0.000 0.506 13 K N 0.315 119.896 120.400 -1.365 0.000 1.980 13 K HA -0.102 4.218 4.320 -0.000 0.000 0.208 13 K C 1.885 177.849 176.600 -1.061 0.000 1.043 13 K CA 1.267 56.543 56.287 -1.684 0.000 0.938 13 K CB -0.066 31.365 32.500 -1.782 0.000 0.724 13 K HN 0.265 nan 8.250 nan 0.000 0.438 14 D N 1.060 121.011 120.400 -0.748 0.000 2.228 14 D HA -0.163 4.477 4.640 -0.000 0.000 0.203 14 D C 1.819 177.955 176.300 -0.272 0.000 0.988 14 D CA 1.095 54.822 54.000 -0.455 0.000 0.864 14 D CB -0.169 40.172 40.800 -0.764 0.000 0.928 14 D HN 0.230 nan 8.370 nan 0.000 0.469 15 I N 0.303 120.670 120.570 -0.338 0.000 2.277 15 I HA -0.067 4.103 4.170 -0.000 0.000 0.243 15 I C 2.587 178.653 176.117 -0.085 0.000 1.094 15 I CA 0.983 62.150 61.300 -0.222 0.000 1.393 15 I CB -0.430 37.509 38.000 -0.101 0.000 1.078 15 I HN -0.004 nan 8.210 nan 0.000 0.417 16 G N 0.414 109.119 108.800 -0.157 0.000 2.469 16 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.220 16 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.220 16 G C 1.646 176.587 174.900 0.067 0.000 1.136 16 G CA 1.594 46.680 45.100 -0.024 0.000 0.759 16 G HN 0.284 nan 8.290 nan 0.000 0.562 17 T N 0.991 115.538 114.554 -0.012 0.000 2.777 17 T HA -0.045 4.305 4.350 -0.000 0.000 0.266 17 T C 2.237 176.947 174.700 0.017 0.000 1.040 17 T CA 0.701 62.874 62.100 0.122 0.000 1.141 17 T CB -0.162 68.830 68.868 0.207 0.000 0.868 17 T HN 0.051 nan 8.240 nan 0.000 0.444 18 L N 0.108 121.252 121.223 -0.132 0.000 2.131 18 L HA 0.011 4.351 4.340 -0.000 0.000 0.210 18 L C 1.945 178.608 176.870 -0.345 0.000 1.092 18 L CA 1.522 56.084 54.840 -0.464 0.000 0.759 18 L CB -1.075 40.356 42.059 -1.047 0.000 0.903 18 L HN 0.311 nan 8.230 nan 0.000 0.435 19 Y N -0.789 119.415 120.300 -0.159 0.000 2.109 19 Y HA -0.202 4.348 4.550 -0.000 0.000 0.285 19 Y C 2.423 178.443 175.900 0.200 0.000 1.131 19 Y CA 1.477 59.683 58.100 0.177 0.000 1.121 19 Y CB -0.470 38.074 38.460 0.140 0.000 0.987 19 Y HN 0.025 nan 8.280 nan 0.000 0.495 20 L N -0.522 120.855 121.223 0.257 0.000 2.089 20 L HA -0.305 4.035 4.340 -0.000 0.000 0.213 20 L C 2.254 179.244 176.870 0.200 0.000 1.079 20 L CA 1.246 56.184 54.840 0.165 0.000 0.758 20 L CB -0.852 41.240 42.059 0.055 0.000 0.891 20 L HN 0.302 nan 8.230 nan 0.000 0.433 21 L N -1.374 119.961 121.223 0.187 0.000 2.027 21 L HA -0.229 4.111 4.340 -0.000 0.000 0.206 21 L C 2.613 179.646 176.870 0.272 0.000 1.074 21 L CA 1.429 56.379 54.840 0.183 0.000 0.745 21 L CB -0.633 41.482 42.059 0.095 0.000 0.898 21 L HN 0.195 nan 8.230 nan 0.000 0.433 22 F N 1.117 121.186 119.950 0.197 0.000 2.075 22 F HA -0.141 4.386 4.527 -0.000 0.000 0.297 22 F C 2.300 178.250 175.800 0.251 0.000 1.113 22 F CA 1.664 59.803 58.000 0.231 0.000 1.218 22 F CB -0.651 38.495 39.000 0.243 0.000 0.984 22 F HN -0.007 nan 8.300 nan 0.000 0.472 23 G N -0.037 109.014 108.800 0.417 0.000 2.491 23 G HA2 -0.345 3.615 3.960 -0.000 0.000 0.218 23 G HA3 -0.345 3.615 3.960 -0.000 0.000 0.218 23 G C 1.822 176.783 174.900 0.103 0.000 1.180 23 G CA 1.195 46.441 45.100 0.244 0.000 0.774 23 G HN 0.660 nan 8.290 nan 0.000 0.562 24 A N -0.404 122.488 122.820 0.119 0.000 1.940 24 A HA -0.094 4.226 4.320 -0.000 0.000 0.219 24 A C 2.173 179.803 177.584 0.076 0.000 1.176 24 A CA 1.726 53.803 52.037 0.067 0.000 0.631 24 A CB -0.699 18.345 19.000 0.073 0.000 0.814 24 A HN 0.582 nan 8.150 nan 0.000 0.446 25 W N 0.299 121.560 121.300 -0.066 0.000 2.378 25 W HA -0.045 4.615 4.660 -0.000 0.000 0.313 25 W C 2.566 179.024 176.519 -0.102 0.000 1.197 25 W CA 2.124 59.425 57.345 -0.074 0.000 1.304 25 W CB -0.292 29.119 29.460 -0.082 0.000 1.148 25 W HN 0.333 nan 8.180 nan 0.000 0.494 26 A N 0.412 123.199 122.820 -0.056 0.000 2.024 26 A HA -0.089 4.231 4.320 -0.000 0.000 0.220 26 A C 2.166 179.677 177.584 -0.121 0.000 1.164 26 A CA 1.947 53.863 52.037 -0.202 0.000 0.643 26 A CB -1.633 17.074 19.000 -0.487 0.000 0.806 26 A HN 0.426 nan 8.150 nan 0.000 0.451 27 G N -0.896 107.852 108.800 -0.086 0.000 2.422 27 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.218 27 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.218 27 G C 1.480 176.331 174.900 -0.082 0.000 1.146 27 G CA 1.230 46.302 45.100 -0.047 0.000 0.769 27 G HN 0.359 nan 8.290 nan 0.000 0.547 28 M N 0.446 119.939 119.600 -0.178 0.000 2.099 28 M HA -0.005 4.475 4.480 -0.000 0.000 0.262 28 M C 2.794 178.961 176.300 -0.222 0.000 1.067 28 M CA 0.739 55.906 55.300 -0.220 0.000 1.124 28 M CB -1.227 31.176 32.600 -0.329 0.000 1.353 28 M HN 0.112 nan 8.290 nan 0.000 0.410 29 V N 0.458 120.193 119.914 -0.298 0.000 2.255 29 V HA -0.206 3.914 4.120 -0.000 0.000 0.247 29 V C 2.653 178.743 176.094 -0.007 0.000 1.051 29 V CA 2.194 64.389 62.300 -0.174 0.000 1.018 29 V CB -1.766 30.003 31.823 -0.091 0.000 0.641 29 V HN 0.576 nan 8.190 nan 0.000 0.445 30 G N -0.913 107.923 108.800 0.059 0.000 2.432 30 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.219 30 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.219 30 G C 1.668 176.670 174.900 0.169 0.000 1.135 30 G CA 1.483 46.684 45.100 0.168 0.000 0.767 30 G HN 0.479 nan 8.290 nan 0.000 0.550 31 T N 1.487 116.082 114.554 0.068 0.000 2.777 31 T HA 0.054 4.404 4.350 -0.000 0.000 0.266 31 T C 2.846 177.540 174.700 -0.009 0.000 1.040 31 T CA 1.373 63.498 62.100 0.042 0.000 1.141 31 T CB -0.331 68.538 68.868 0.001 0.000 0.868 31 T HN 0.369 nan 8.240 nan 0.000 0.444 32 A N 1.427 124.226 122.820 -0.034 0.000 1.883 32 A HA -0.043 4.277 4.320 -0.000 0.000 0.217 32 A C 2.293 179.855 177.584 -0.036 0.000 1.186 32 A CA 1.360 53.365 52.037 -0.053 0.000 0.624 32 A CB -0.938 18.025 19.000 -0.063 0.000 0.822 32 A HN 0.481 nan 8.150 nan 0.000 0.444 33 L N 0.501 121.721 121.223 -0.006 0.000 2.083 33 L HA -0.190 4.150 4.340 -0.000 0.000 0.209 33 L C 2.978 179.771 176.870 -0.128 0.000 1.083 33 L CA 1.580 56.408 54.840 -0.019 0.000 0.752 33 L CB -0.545 41.550 42.059 0.061 0.000 0.899 33 L HN 0.615 nan 8.230 nan 0.000 0.433 34 S N -0.188 115.410 115.700 -0.170 0.000 2.423 34 S HA -0.118 4.352 4.470 -0.000 0.000 0.231 34 S C 1.886 176.408 174.600 -0.129 0.000 1.014 34 S CA 0.841 58.857 58.200 -0.307 0.000 0.965 34 S CB -0.521 62.597 63.200 -0.137 0.000 0.785 34 S HN 0.370 nan 8.310 nan 0.000 0.495 35 L N 0.361 121.537 121.223 -0.079 0.000 2.131 35 L HA 0.126 4.466 4.340 -0.000 0.000 0.206 35 L C 2.536 179.418 176.870 0.020 0.000 1.087 35 L CA 0.689 55.499 54.840 -0.050 0.000 0.767 35 L CB -0.525 41.453 42.059 -0.136 0.000 0.917 35 L HN 0.275 nan 8.230 nan 0.000 0.441 36 L N -0.254 120.975 121.223 0.009 0.000 2.046 36 L HA -0.244 4.096 4.340 -0.000 0.000 0.208 36 L C 2.488 179.423 176.870 0.108 0.000 1.077 36 L CA 1.376 56.252 54.840 0.059 0.000 0.747 36 L CB -0.431 41.651 42.059 0.038 0.000 0.896 36 L HN 0.191 nan 8.230 nan 0.000 0.432 37 I N -0.545 120.055 120.570 0.051 0.000 2.118 37 I HA -0.322 3.848 4.170 -0.000 0.000 0.241 37 I C 2.690 178.944 176.117 0.229 0.000 1.070 37 I CA 1.281 62.664 61.300 0.138 0.000 1.327 37 I CB -0.418 37.565 38.000 -0.027 0.000 1.034 37 I HN 0.289 nan 8.210 nan 0.000 0.405 38 R N 0.831 121.405 120.500 0.123 0.000 2.148 38 R HA 0.008 4.348 4.340 -0.000 0.000 0.223 38 R C 2.249 178.641 176.300 0.154 0.000 1.088 38 R CA 1.217 57.392 56.100 0.125 0.000 0.985 38 R CB -0.856 29.491 30.300 0.078 0.000 0.880 38 R HN 0.399 nan 8.270 nan 0.000 0.451 39 A N 1.447 124.370 122.820 0.172 0.000 1.902 39 A HA -0.213 4.107 4.320 -0.000 0.000 0.217 39 A C 2.137 179.797 177.584 0.128 0.000 1.181 39 A CA 1.734 53.871 52.037 0.166 0.000 0.623 39 A CB -0.326 18.774 19.000 0.167 0.000 0.818 39 A HN 0.276 nan 8.150 nan 0.000 0.443 40 E N 0.133 120.426 120.200 0.155 0.000 2.153 40 E HA -0.094 4.256 4.350 -0.000 0.000 0.194 40 E C 1.458 178.109 176.600 0.084 0.000 0.988 40 E CA 1.259 57.730 56.400 0.119 0.000 0.811 40 E CB -0.332 29.488 29.700 0.200 0.000 0.746 40 E HN 0.588 nan 8.360 nan 0.000 0.466 41 L N -1.018 120.293 121.223 0.146 0.000 2.640 41 L HA 0.337 4.677 4.340 -0.000 0.000 0.230 41 L C 1.999 178.993 176.870 0.206 0.000 1.123 41 L CA 0.312 55.280 54.840 0.213 0.000 0.900 41 L CB 0.288 42.470 42.059 0.205 0.000 1.146 41 L HN 0.210 nan 8.230 nan 0.000 0.484 42 G N -0.561 108.311 108.800 0.120 0.000 2.625 42 G HA2 -0.123 3.837 3.960 -0.000 0.000 0.214 42 G HA3 -0.123 3.837 3.960 -0.000 0.000 0.214 42 G C 0.560 175.505 174.900 0.074 0.000 1.132 42 G CA 0.245 45.389 45.100 0.073 0.000 0.782 42 G HN 0.332 nan 8.290 nan 0.000 0.538 43 Q N -0.389 119.467 119.800 0.093 0.000 2.320 43 Q HA 0.303 4.643 4.340 -0.000 0.000 0.272 43 Q C -2.998 172.992 176.000 -0.016 0.000 1.023 43 Q CA -1.770 54.061 55.803 0.047 0.000 0.855 43 Q CB 2.701 31.438 28.738 -0.003 0.000 1.367 43 Q HN -0.077 nan 8.270 nan 0.000 0.406 44 P HA 0.239 nan 4.420 nan 0.000 0.262 44 P C -0.209 176.956 177.300 -0.225 0.000 1.182 44 P CA 1.013 63.940 63.100 -0.288 0.000 0.761 44 P CB 0.594 32.188 31.700 -0.176 0.000 0.795 45 G N 1.789 110.415 108.800 -0.289 0.000 2.318 45 G HA2 0.174 4.134 3.960 -0.000 0.000 0.367 45 G HA3 0.174 4.134 3.960 -0.000 0.000 0.367 45 G C -1.058 173.744 174.900 -0.164 0.000 1.260 45 G CA -0.240 44.749 45.100 -0.185 0.000 1.055 45 G HN 0.707 nan 8.290 nan 0.000 0.484 46 T N -1.535 112.954 114.554 -0.109 0.000 2.824 46 T HA 0.656 5.006 4.350 -0.000 0.000 0.282 46 T C 0.653 175.326 174.700 -0.045 0.000 0.993 46 T CA 0.198 62.247 62.100 -0.084 0.000 0.967 46 T CB 2.013 70.837 68.868 -0.074 0.000 0.960 46 T HN 1.621 nan 8.240 nan 0.000 0.441 47 L N 2.975 124.185 121.223 -0.021 0.000 2.435 47 L HA 0.501 4.841 4.340 -0.000 0.000 0.195 47 L C 1.687 178.573 176.870 0.027 0.000 1.072 47 L CA 0.726 55.571 54.840 0.009 0.000 0.833 47 L CB -0.425 41.652 42.059 0.030 0.000 1.081 47 L HN 0.753 nan 8.230 nan 0.000 0.485 48 L N 0.192 121.444 121.223 0.047 0.000 2.622 48 L HA 0.156 4.496 4.340 -0.000 0.000 0.233 48 L C 1.729 178.627 176.870 0.047 0.000 1.156 48 L CA 0.700 55.580 54.840 0.066 0.000 0.866 48 L CB -1.098 41.033 42.059 0.119 0.000 0.980 48 L HN 0.666 nan 8.230 nan 0.000 0.448 49 G N 0.780 109.595 108.800 0.024 0.000 5.426 49 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.297 49 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.297 49 G C 0.069 174.979 174.900 0.017 0.000 1.422 49 G CA 0.258 45.367 45.100 0.015 0.000 0.938 49 G HN 0.488 nan 8.290 nan 0.000 0.754 50 D N 1.524 121.945 120.400 0.035 0.000 2.185 50 D HA 0.537 5.177 4.640 -0.000 0.000 0.247 50 D C 0.193 176.536 176.300 0.072 0.000 1.027 50 D CA -0.128 53.895 54.000 0.039 0.000 0.861 50 D CB 1.664 42.484 40.800 0.035 0.000 1.202 50 D HN 0.162 nan 8.370 nan 0.000 0.453 51 D N 0.664 121.101 120.400 0.062 0.000 2.178 51 D HA -0.200 4.440 4.640 -0.000 0.000 0.201 51 D C 1.743 178.139 176.300 0.161 0.000 0.980 51 D CA 1.322 55.387 54.000 0.107 0.000 0.842 51 D CB 0.113 40.948 40.800 0.058 0.000 0.948 51 D HN 0.502 nan 8.370 nan 0.000 0.472 52 Q N 0.092 119.958 119.800 0.110 0.000 2.124 52 Q HA -0.118 4.222 4.340 -0.000 0.000 0.202 52 Q C 1.717 177.796 176.000 0.130 0.000 0.977 52 Q CA 1.086 56.957 55.803 0.113 0.000 0.850 52 Q CB -0.137 28.641 28.738 0.066 0.000 0.901 52 Q HN 0.200 nan 8.270 nan 0.000 0.429 53 I N 0.057 120.702 120.570 0.124 0.000 2.361 53 I HA -0.227 3.943 4.170 -0.000 0.000 0.251 53 I C 2.002 178.205 176.117 0.143 0.000 1.133 53 I CA 1.211 62.581 61.300 0.116 0.000 1.413 53 I CB -1.393 36.669 38.000 0.103 0.000 1.073 53 I HN 0.328 nan 8.210 nan 0.000 0.424 54 Y N 2.659 123.001 120.300 0.069 0.000 2.163 54 Y HA -0.236 4.314 4.550 -0.000 0.000 0.288 54 Y C 2.360 178.317 175.900 0.096 0.000 1.136 54 Y CA 1.781 59.929 58.100 0.080 0.000 1.147 54 Y CB -0.336 38.174 38.460 0.084 0.000 0.987 54 Y HN 0.200 nan 8.280 nan 0.000 0.509 55 N N -0.139 118.644 118.700 0.138 0.000 2.166 55 N HA -0.165 4.575 4.740 -0.000 0.000 0.186 55 N C 1.951 177.472 175.510 0.019 0.000 1.019 55 N CA 1.570 54.660 53.050 0.066 0.000 0.856 55 N CB -0.703 37.882 38.487 0.163 0.000 0.993 55 N HN 0.312 nan 8.380 nan 0.000 0.426 56 V N 0.406 120.354 119.914 0.056 0.000 2.407 56 V HA -0.135 3.985 4.120 -0.000 0.000 0.248 56 V C 2.342 178.454 176.094 0.031 0.000 1.055 56 V CA 1.023 63.363 62.300 0.067 0.000 1.049 56 V CB -0.386 31.488 31.823 0.086 0.000 0.662 56 V HN 0.076 nan 8.190 nan 0.000 0.455 57 V N -0.512 119.383 119.914 -0.032 0.000 2.307 57 V HA -0.198 3.922 4.120 -0.000 0.000 0.245 57 V C 2.428 178.467 176.094 -0.092 0.000 1.045 57 V CA 1.842 64.105 62.300 -0.062 0.000 1.024 57 V CB -0.195 31.572 31.823 -0.094 0.000 0.651 57 V HN 0.388 nan 8.190 nan 0.000 0.449 58 V N -0.153 119.624 119.914 -0.229 0.000 2.332 58 V HA -0.298 3.822 4.120 -0.000 0.000 0.248 58 V C 2.561 178.660 176.094 0.008 0.000 1.055 58 V CA 2.709 64.918 62.300 -0.151 0.000 1.038 58 V CB -0.901 30.787 31.823 -0.225 0.000 0.651 58 V HN 0.626 nan 8.190 nan 0.000 0.450 59 T N 0.187 114.739 114.554 -0.005 0.000 2.737 59 T HA -0.132 4.218 4.350 -0.000 0.000 0.265 59 T C 2.042 176.751 174.700 0.015 0.000 1.038 59 T CA 1.590 63.677 62.100 -0.023 0.000 1.144 59 T CB -0.430 68.454 68.868 0.027 0.000 0.866 59 T HN 0.573 nan 8.240 nan 0.000 0.434 60 A N 1.049 123.957 122.820 0.147 0.000 1.972 60 A HA -0.168 4.152 4.320 -0.000 0.000 0.219 60 A C 1.969 179.714 177.584 0.268 0.000 1.169 60 A CA 2.238 54.433 52.037 0.262 0.000 0.635 60 A CB -0.893 18.236 19.000 0.215 0.000 0.810 60 A HN 0.689 nan 8.150 nan 0.000 0.446 61 H N 0.338 119.447 119.070 0.066 0.000 2.290 61 H HA -0.025 4.531 4.556 -0.000 0.000 0.298 61 H C 2.149 177.492 175.328 0.024 0.000 1.087 61 H CA 2.244 58.327 56.048 0.057 0.000 1.291 61 H CB -0.461 29.320 29.762 0.032 0.000 1.369 61 H HN 0.350 nan 8.280 nan 0.000 0.492 62 A N -0.050 122.698 122.820 -0.121 0.000 1.902 62 A HA -0.117 4.203 4.320 -0.000 0.000 0.217 62 A C 2.231 179.658 177.584 -0.262 0.000 1.181 62 A CA 1.615 53.385 52.037 -0.444 0.000 0.623 62 A CB -1.068 17.588 19.000 -0.573 0.000 0.818 62 A HN 0.450 nan 8.150 nan 0.000 0.443 63 F N -0.242 119.767 119.950 0.098 0.000 2.146 63 F HA -0.095 4.432 4.527 -0.000 0.000 0.298 63 F C 2.521 178.454 175.800 0.222 0.000 1.096 63 F CA 0.916 59.052 58.000 0.227 0.000 1.275 63 F CB -1.000 38.151 39.000 0.252 0.000 1.008 63 F HN 0.017 nan 8.300 nan 0.000 0.480 64 V N -0.164 120.035 119.914 0.475 0.000 2.295 64 V HA -0.323 3.797 4.120 -0.000 0.000 0.246 64 V C 2.518 178.725 176.094 0.188 0.000 1.049 64 V CA 1.584 64.163 62.300 0.465 0.000 1.024 64 V CB -0.522 31.559 31.823 0.431 0.000 0.648 64 V HN 0.212 nan 8.190 nan 0.000 0.447 65 M N -0.997 118.618 119.600 0.025 0.000 2.099 65 M HA -0.100 4.380 4.480 -0.000 0.000 0.262 65 M C 2.166 178.384 176.300 -0.137 0.000 1.067 65 M CA 1.968 57.214 55.300 -0.089 0.000 1.124 65 M CB -0.956 31.494 32.600 -0.249 0.000 1.353 65 M HN 0.267 nan 8.290 nan 0.000 0.410 66 I N -0.754 119.692 120.570 -0.206 0.000 2.094 66 I HA -0.275 3.895 4.170 -0.000 0.000 0.234 66 I C 2.192 178.097 176.117 -0.353 0.000 1.063 66 I CA 1.436 62.535 61.300 -0.335 0.000 1.328 66 I CB -0.441 37.261 38.000 -0.497 0.000 1.058 66 I HN 0.055 nan 8.210 nan 0.000 0.400 67 F N -0.322 119.467 119.950 -0.269 0.000 2.367 67 F HA -0.078 4.449 4.527 0.000 0.000 0.298 67 F C 1.753 177.196 175.800 -0.594 0.000 1.094 67 F CA 1.056 58.761 58.000 -0.493 0.000 1.409 67 F CB -0.220 38.314 39.000 -0.776 0.000 1.064 67 F HN -0.026 nan 8.300 nan 0.000 0.528 68 F N -2.431 117.637 119.950 0.195 0.000 2.724 68 F HA 0.234 4.761 4.527 -0.000 0.000 0.306 68 F C 1.746 177.582 175.800 0.060 0.000 1.100 68 F CA -0.025 58.047 58.000 0.120 0.000 1.255 68 F CB -0.184 38.632 39.000 -0.307 0.000 1.072 68 F HN -0.111 nan 8.300 nan 0.000 0.589 69 M N -0.860 118.819 119.600 0.132 0.000 3.125 69 M HA 0.062 4.542 4.480 -0.000 0.000 0.207 69 M C 2.021 178.369 176.300 0.081 0.000 1.574 69 M CA 0.855 56.209 55.300 0.090 0.000 1.430 69 M CB -0.425 32.194 32.600 0.033 0.000 0.998 69 M HN -0.146 nan 8.290 nan 0.000 0.574 70 V N 2.008 121.925 119.914 0.005 0.000 2.231 70 V HA -0.380 3.740 4.120 -0.000 0.000 0.250 70 V C 2.511 178.605 176.094 0.000 0.000 1.058 70 V CA 2.477 64.769 62.300 -0.013 0.000 1.022 70 V CB -0.836 30.929 31.823 -0.096 0.000 0.640 70 V HN 0.566 nan 8.190 nan 0.000 0.445 71 M N -0.849 118.720 119.600 -0.052 0.000 2.067 71 M HA -0.127 4.353 4.480 -0.000 0.000 0.260 71 M C 0.115 176.443 176.300 0.047 0.000 1.069 71 M CA 2.474 57.747 55.300 -0.045 0.000 1.117 71 M CB -1.559 30.968 32.600 -0.121 0.000 1.334 71 M HN 0.282 nan 8.290 nan 0.000 0.407 72 P HA -0.151 nan 4.420 nan 0.000 0.214 72 P C 1.391 178.799 177.300 0.180 0.000 1.163 72 P CA 1.423 64.703 63.100 0.300 0.000 0.889 72 P CB -0.125 31.931 31.700 0.593 0.000 0.790 73 I N -1.777 118.920 120.570 0.212 0.000 2.058 73 I HA -0.300 3.870 4.170 -0.000 0.000 0.235 73 I C 2.531 178.799 176.117 0.251 0.000 1.053 73 I CA 1.859 63.278 61.300 0.198 0.000 1.313 73 I CB -0.611 37.523 38.000 0.223 0.000 1.039 73 I HN -0.102 nan 8.210 nan 0.000 0.396 74 M N -0.285 119.474 119.600 0.266 0.000 2.108 74 M HA -0.215 4.265 4.480 -0.000 0.000 0.261 74 M C 2.240 178.660 176.300 0.200 0.000 1.066 74 M CA 2.072 57.558 55.300 0.311 0.000 1.107 74 M CB -0.296 32.395 32.600 0.152 0.000 1.356 74 M HN 0.247 nan 8.290 nan 0.000 0.406 75 I N -1.451 119.123 120.570 0.006 0.000 2.499 75 I HA 0.016 4.186 4.170 -0.000 0.000 0.243 75 I C 2.583 178.592 176.117 -0.180 0.000 1.085 75 I CA 0.895 62.100 61.300 -0.158 0.000 1.422 75 I CB -0.768 37.078 38.000 -0.257 0.000 1.165 75 I HN 0.249 nan 8.210 nan 0.000 0.440 76 G N 0.495 109.041 108.800 -0.423 0.000 2.402 76 G HA2 -0.106 3.854 3.960 -0.000 0.000 0.216 76 G HA3 -0.106 3.854 3.960 -0.000 0.000 0.216 76 G C 1.554 176.132 174.900 -0.537 0.000 1.162 76 G CA 0.860 45.302 45.100 -1.097 0.000 0.777 76 G HN 0.476 nan 8.290 nan 0.000 0.539 77 G N 0.577 109.257 108.800 -0.201 0.000 2.662 77 G HA2 0.027 3.987 3.960 -0.000 0.000 0.215 77 G HA3 0.027 3.987 3.960 -0.000 0.000 0.215 77 G C 1.458 176.302 174.900 -0.093 0.000 1.310 77 G CA 0.592 45.635 45.100 -0.095 0.000 0.849 77 G HN 0.227 nan 8.290 nan 0.000 0.568 78 F N 2.052 122.057 119.950 0.092 0.000 2.202 78 F HA -0.003 4.524 4.527 -0.000 0.000 0.301 78 F C 2.886 178.828 175.800 0.237 0.000 1.082 78 F CA 1.018 59.067 58.000 0.082 0.000 1.313 78 F CB -0.697 38.312 39.000 0.015 0.000 1.024 78 F HN 0.222 nan 8.300 nan 0.000 0.495 79 G N -0.093 108.952 108.800 0.407 0.000 2.433 79 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.216 79 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.216 79 G C 1.717 176.925 174.900 0.513 0.000 1.186 79 G CA 0.955 46.297 45.100 0.404 0.000 0.779 79 G HN 0.262 nan 8.290 nan 0.000 0.543 80 N N -0.328 118.585 118.700 0.356 0.000 2.216 80 N HA -0.072 4.668 4.740 -0.000 0.000 0.183 80 N C 1.912 177.581 175.510 0.264 0.000 1.017 80 N CA 0.707 53.880 53.050 0.205 0.000 0.861 80 N CB -0.228 38.300 38.487 0.069 0.000 0.986 80 N HN 0.563 nan 8.380 nan 0.000 0.428 81 W N 1.462 122.788 121.300 0.043 0.000 2.378 81 W HA 0.018 4.678 4.660 0.000 0.000 0.313 81 W C 2.053 178.643 176.519 0.118 0.000 1.197 81 W CA 0.625 57.961 57.345 -0.015 0.000 1.304 81 W CB -0.177 29.095 29.460 -0.314 0.000 1.148 81 W HN -0.014 nan 8.180 nan 0.000 0.494 82 L N -1.349 120.106 121.223 0.388 0.000 2.249 82 L HA -0.096 4.244 4.340 -0.000 0.000 0.207 82 L C 2.040 179.035 176.870 0.209 0.000 1.090 82 L CA 0.160 55.109 54.840 0.182 0.000 0.802 82 L CB -1.178 40.779 42.059 -0.170 0.000 0.947 82 L HN -0.181 nan 8.230 nan 0.000 0.453 83 V N 0.816 120.889 119.914 0.264 0.000 2.233 83 V HA -0.180 3.940 4.120 -0.000 0.000 0.247 83 V C -0.085 176.019 176.094 0.017 0.000 1.050 83 V CA 2.189 64.592 62.300 0.172 0.000 1.010 83 V CB -1.585 30.374 31.823 0.227 0.000 0.637 83 V HN 0.303 nan 8.190 nan 0.000 0.444 84 P HA -0.130 nan 4.420 nan 0.000 0.216 84 P C 1.888 179.116 177.300 -0.121 0.000 1.150 84 P CA 1.412 64.336 63.100 -0.293 0.000 0.837 84 P CB -0.073 31.126 31.700 -0.836 0.000 0.786 85 L N -2.092 119.183 121.223 0.087 0.000 2.093 85 L HA -0.110 4.230 4.340 -0.000 0.000 0.208 85 L C 2.379 179.348 176.870 0.164 0.000 1.085 85 L CA 1.479 56.480 54.840 0.268 0.000 0.755 85 L CB -0.838 41.409 42.059 0.314 0.000 0.904 85 L HN 0.015 nan 8.230 nan 0.000 0.435 86 M N -0.085 119.581 119.600 0.110 0.000 2.394 86 M HA -0.054 4.426 4.480 -0.000 0.000 0.264 86 M C 1.864 178.182 176.300 0.030 0.000 1.073 86 M CA 1.371 56.745 55.300 0.123 0.000 1.111 86 M CB -0.064 32.651 32.600 0.191 0.000 1.401 86 M HN 0.334 nan 8.290 nan 0.000 0.448 87 I N -3.901 116.621 120.570 -0.079 0.000 3.976 87 I HA 0.483 4.653 4.170 -0.000 0.000 0.337 87 I C 0.895 176.828 176.117 -0.307 0.000 1.359 87 I CA 0.115 61.326 61.300 -0.148 0.000 1.098 87 I CB -0.073 37.838 38.000 -0.149 0.000 1.027 87 I HN 0.345 nan 8.210 nan 0.000 0.394 88 G N 1.938 110.414 108.800 -0.539 0.000 2.147 88 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.244 88 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.244 88 G C 0.309 174.615 174.900 -0.991 0.000 1.005 88 G CA 0.098 44.469 45.100 -1.215 0.000 0.713 88 G HN 0.920 nan 8.290 nan 0.000 0.515 89 A N 0.238 122.719 122.820 -0.565 0.000 2.302 89 A HA 0.824 5.144 4.320 -0.000 0.000 0.285 89 A C -0.071 177.412 177.584 -0.168 0.000 1.105 89 A CA -0.729 51.113 52.037 -0.326 0.000 0.816 89 A CB 0.955 19.790 19.000 -0.275 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 0.225 90 P C 0.095 177.385 177.300 -0.017 0.000 1.156 90 P CA 1.093 64.214 63.100 0.035 0.000 0.787 90 P CB 0.342 32.040 31.700 -0.003 0.000 0.802 91 D N -2.930 117.375 120.400 -0.158 0.000 2.918 91 D HA 0.084 4.724 4.640 -0.000 0.000 0.342 91 D C -0.662 175.463 176.300 -0.293 0.000 1.403 91 D CA -0.512 53.349 54.000 -0.231 0.000 0.776 91 D CB 0.348 41.110 40.800 -0.063 0.000 1.365 91 D HN -0.343 nan 8.370 nan 0.000 0.468 92 M N 1.099 120.533 119.600 -0.277 0.000 2.198 92 M HA 0.286 4.766 4.480 -0.000 0.000 0.315 92 M C 1.374 177.476 176.300 -0.330 0.000 1.134 92 M CA 0.209 55.317 55.300 -0.320 0.000 1.171 92 M CB 0.188 32.602 32.600 -0.310 0.000 1.413 92 M HN 0.613 nan 8.290 nan 0.000 0.467 93 A N 1.584 124.117 122.820 -0.478 0.000 1.902 93 A HA -0.060 4.260 4.320 -0.000 0.000 0.217 93 A C 0.496 177.601 177.584 -0.799 0.000 1.181 93 A CA 1.509 53.104 52.037 -0.736 0.000 0.623 93 A CB -0.288 18.056 19.000 -1.092 0.000 0.818 93 A HN 0.595 nan 8.150 nan 0.000 0.443 94 F N -0.981 118.909 119.950 -0.101 0.000 2.453 94 F HA 0.386 4.913 4.527 0.000 0.000 0.358 94 F C -2.068 173.692 175.800 -0.066 0.000 1.129 94 F CA -2.796 55.162 58.000 -0.070 0.000 1.200 94 F CB 0.891 39.858 39.000 -0.056 0.000 1.431 94 F HN 0.015 nan 8.300 nan 0.000 0.503 95 P HA -0.198 nan 4.420 nan 0.000 0.214 95 P C 1.983 179.312 177.300 0.049 0.000 1.163 95 P CA 1.661 64.770 63.100 0.014 0.000 0.889 95 P CB 0.285 31.985 31.700 0.001 0.000 0.790 96 R N -0.915 119.623 120.500 0.064 0.000 2.073 96 R HA -0.114 4.226 4.340 -0.000 0.000 0.234 96 R C 2.394 178.739 176.300 0.074 0.000 1.134 96 R CA 1.779 57.913 56.100 0.057 0.000 0.952 96 R CB -0.830 29.491 30.300 0.035 0.000 0.850 96 R HN 0.163 nan 8.270 nan 0.000 0.433 97 M N 0.674 120.326 119.600 0.087 0.000 2.117 97 M HA -0.217 4.263 4.480 -0.000 0.000 0.262 97 M C 1.807 178.171 176.300 0.105 0.000 1.065 97 M CA 1.826 57.173 55.300 0.079 0.000 1.114 97 M CB -0.233 32.404 32.600 0.062 0.000 1.361 97 M HN 0.041 nan 8.290 nan 0.000 0.408 98 N N 0.868 119.633 118.700 0.107 0.000 2.192 98 N HA -0.234 4.506 4.740 -0.000 0.000 0.188 98 N C 1.314 176.913 175.510 0.147 0.000 1.013 98 N CA 1.830 54.941 53.050 0.102 0.000 0.863 98 N CB -0.470 38.035 38.487 0.031 0.000 0.990 98 N HN 0.442 nan 8.380 nan 0.000 0.430 99 N N -0.035 118.751 118.700 0.142 0.000 2.188 99 N HA -0.079 4.661 4.740 -0.000 0.000 0.184 99 N C 1.746 177.430 175.510 0.289 0.000 1.018 99 N CA 0.936 54.113 53.050 0.212 0.000 0.858 99 N CB -0.256 38.365 38.487 0.223 0.000 0.989 99 N HN 0.352 nan 8.380 nan 0.000 0.426 100 M N -0.306 119.423 119.600 0.216 0.000 2.117 100 M HA -0.125 4.355 4.480 -0.000 0.000 0.262 100 M C 1.721 178.110 176.300 0.149 0.000 1.065 100 M CA 1.254 56.671 55.300 0.195 0.000 1.114 100 M CB -0.083 32.584 32.600 0.113 0.000 1.361 100 M HN 0.068 nan 8.290 nan 0.000 0.408 101 S N 0.294 116.082 115.700 0.147 0.000 2.402 101 S HA -0.192 4.278 4.470 -0.000 0.000 0.233 101 S C 1.451 176.099 174.600 0.080 0.000 1.030 101 S CA 1.643 59.935 58.200 0.155 0.000 1.003 101 S CB -0.601 62.741 63.200 0.236 0.000 0.813 101 S HN 0.618 nan 8.310 nan 0.000 0.477 102 F N 0.617 120.474 119.950 -0.154 0.000 2.118 102 F HA 0.041 4.568 4.527 0.000 0.000 0.293 102 F C 1.664 177.114 175.800 -0.584 0.000 1.102 102 F CA 0.834 58.442 58.000 -0.654 0.000 1.247 102 F CB -0.638 37.767 39.000 -0.991 0.000 1.017 102 F HN 0.171 nan 8.300 nan 0.000 0.475 103 W N 0.774 121.952 121.300 -0.205 0.000 2.480 103 W HA -0.118 4.542 4.660 0.000 0.000 0.257 103 W C 1.957 178.319 176.519 -0.261 0.000 1.235 103 W CA 0.569 57.777 57.345 -0.227 0.000 1.218 103 W CB -0.399 29.070 29.460 0.017 0.000 1.131 103 W HN 0.100 nan 8.180 nan 0.000 0.606 104 L N -1.023 120.143 121.223 -0.095 0.000 2.341 104 L HA -0.138 4.202 4.340 -0.000 0.000 0.214 104 L C 2.108 178.899 176.870 -0.132 0.000 1.115 104 L CA 0.176 54.986 54.840 -0.050 0.000 0.820 104 L CB -0.449 41.610 42.059 0.000 0.000 0.944 104 L HN -0.009 nan 8.230 nan 0.000 0.452 105 L N 0.288 121.270 121.223 -0.401 0.000 2.027 105 L HA -0.086 4.254 4.340 -0.000 0.000 0.206 105 L C -0.260 176.378 176.870 -0.387 0.000 1.074 105 L CA 2.150 56.694 54.840 -0.492 0.000 0.745 105 L CB -1.725 39.672 42.059 -1.103 0.000 0.898 105 L HN 0.074 nan 8.230 nan 0.000 0.433 106 P HA -0.092 nan 4.420 nan 0.000 0.216 106 P C -1.332 176.016 177.300 0.081 0.000 1.153 106 P CA 1.671 64.767 63.100 -0.007 0.000 0.848 106 P CB -0.807 30.902 31.700 0.015 0.000 0.787 107 P HA -0.107 nan 4.420 nan 0.000 0.217 107 P C 1.845 179.192 177.300 0.078 0.000 1.151 107 P CA 1.547 64.684 63.100 0.063 0.000 0.828 107 P CB -0.416 31.316 31.700 0.052 0.000 0.788 108 S N -1.563 114.193 115.700 0.093 0.000 2.382 108 S HA -0.179 4.291 4.470 -0.000 0.000 0.228 108 S C 1.808 176.510 174.600 0.170 0.000 1.027 108 S CA 0.929 59.234 58.200 0.176 0.000 0.991 108 S CB -0.999 62.375 63.200 0.291 0.000 0.823 108 S HN -0.085 nan 8.310 nan 0.000 0.469 109 F N 1.674 121.489 119.950 -0.225 0.000 2.186 109 F HA 0.112 4.639 4.527 0.000 0.000 0.299 109 F C 1.864 177.582 175.800 -0.136 0.000 1.090 109 F CA 0.578 58.306 58.000 -0.455 0.000 1.307 109 F CB -0.984 37.771 39.000 -0.408 0.000 1.019 109 F HN 0.274 nan 8.300 nan 0.000 0.489 110 L N 0.158 121.385 121.223 0.008 0.000 2.012 110 L HA -0.207 4.133 4.340 -0.000 0.000 0.210 110 L C 2.203 179.057 176.870 -0.027 0.000 1.073 110 L CA 1.809 56.621 54.840 -0.047 0.000 0.748 110 L CB -0.948 41.115 42.059 0.007 0.000 0.891 110 L HN 0.143 nan 8.230 nan 0.000 0.431 111 L N -1.400 119.843 121.223 0.033 0.000 2.083 111 L HA -0.222 4.118 4.340 -0.000 0.000 0.209 111 L C 2.485 179.387 176.870 0.054 0.000 1.083 111 L CA 1.139 56.016 54.840 0.061 0.000 0.752 111 L CB -0.709 41.415 42.059 0.108 0.000 0.899 111 L HN 0.351 nan 8.230 nan 0.000 0.433 112 L N -0.374 120.889 121.223 0.067 0.000 2.093 112 L HA -0.169 4.171 4.340 -0.000 0.000 0.208 112 L C 2.293 179.179 176.870 0.027 0.000 1.085 112 L CA 1.572 56.470 54.840 0.097 0.000 0.755 112 L CB -0.214 42.007 42.059 0.270 0.000 0.904 112 L HN 0.096 nan 8.230 nan 0.000 0.435 113 L N -0.794 120.368 121.223 -0.101 0.000 2.056 113 L HA -0.123 4.217 4.340 -0.000 0.000 0.207 113 L C 2.693 179.538 176.870 -0.043 0.000 1.078 113 L CA 1.036 55.798 54.840 -0.130 0.000 0.749 113 L CB -0.848 41.051 42.059 -0.266 0.000 0.901 113 L HN 0.357 nan 8.230 nan 0.000 0.433 114 A N 0.132 122.937 122.820 -0.025 0.000 1.940 114 A HA -0.256 4.064 4.320 -0.000 0.000 0.219 114 A C 2.534 180.134 177.584 0.027 0.000 1.176 114 A CA 2.075 54.116 52.037 0.007 0.000 0.631 114 A CB -0.777 18.235 19.000 0.019 0.000 0.814 114 A HN 0.527 nan 8.150 nan 0.000 0.446 115 S N 0.520 116.243 115.700 0.038 0.000 2.399 115 S HA -0.162 4.308 4.470 -0.000 0.000 0.231 115 S C 1.903 176.537 174.600 0.058 0.000 1.022 115 S CA 1.866 60.096 58.200 0.051 0.000 0.983 115 S CB -0.793 62.439 63.200 0.054 0.000 0.803 115 S HN 0.944 nan 8.310 nan 0.000 0.480 116 S N 0.270 116.002 115.700 0.053 0.000 2.558 116 S HA 0.279 4.749 4.470 -0.000 0.000 0.217 116 S C 1.721 176.347 174.600 0.043 0.000 0.975 116 S CA 0.068 58.303 58.200 0.057 0.000 0.912 116 S CB -0.265 62.970 63.200 0.059 0.000 0.776 116 S HN 0.408 nan 8.310 nan 0.000 0.526 117 M N 1.894 121.514 119.600 0.033 0.000 2.412 117 M HA 0.216 4.696 4.480 -0.000 0.000 0.263 117 M C 1.148 177.468 176.300 0.032 0.000 1.122 117 M CA 0.586 55.903 55.300 0.027 0.000 1.179 117 M CB -0.746 31.864 32.600 0.017 0.000 1.335 117 M HN 0.380 nan 8.290 nan 0.000 0.465 118 V N 0.210 120.146 119.914 0.037 0.000 2.881 118 V HA 0.213 4.333 4.120 -0.000 0.000 0.303 118 V C 0.711 176.832 176.094 0.045 0.000 1.070 118 V CA -0.939 61.384 62.300 0.038 0.000 1.074 118 V CB 0.405 32.253 31.823 0.041 0.000 1.012 118 V HN 0.594 nan 8.190 nan 0.000 0.482 119 E N 2.426 122.650 120.200 0.039 0.000 3.492 119 E HA -0.338 4.012 4.350 -0.000 0.000 0.303 119 E C 0.961 177.587 176.600 0.042 0.000 1.507 119 E CA 1.801 58.224 56.400 0.039 0.000 2.055 119 E CB -1.564 28.165 29.700 0.048 0.000 1.950 119 E HN 1.525 nan 8.360 nan 0.000 0.470 120 A N 1.426 124.274 122.820 0.047 0.000 2.415 120 A HA 0.474 4.794 4.320 -0.000 0.000 0.248 120 A C 1.034 178.670 177.584 0.086 0.000 1.299 120 A CA 1.565 53.633 52.037 0.051 0.000 0.899 120 A CB -0.535 18.481 19.000 0.025 0.000 0.997 120 A HN 1.361 nan 8.150 nan 0.000 0.506 121 G N -1.002 107.855 108.800 0.095 0.000 2.697 121 G HA2 0.239 4.199 3.960 -0.000 0.000 0.240 121 G HA3 0.239 4.199 3.960 -0.000 0.000 0.240 121 G C 0.165 175.170 174.900 0.174 0.000 1.346 121 G CA -0.233 44.934 45.100 0.112 0.000 0.887 121 G HN 1.768 nan 8.290 nan 0.000 0.569 122 A N 0.146 123.051 122.820 0.143 0.000 2.511 122 A HA 0.740 5.060 4.320 -0.000 0.000 0.340 122 A C 0.697 178.337 177.584 0.094 0.000 1.396 122 A CA 0.843 52.930 52.037 0.083 0.000 0.887 122 A CB 0.379 19.373 19.000 -0.010 0.000 1.145 122 A HN 2.285 nan 8.150 nan 0.000 0.497 123 G N 1.536 110.496 108.800 0.268 0.000 3.161 123 G HA2 0.393 4.353 3.960 -0.000 0.000 0.293 123 G HA3 0.393 4.353 3.960 -0.000 0.000 0.293 123 G C 0.653 175.623 174.900 0.117 0.000 0.893 123 G CA 0.491 45.703 45.100 0.187 0.000 1.756 123 G HN 0.811 nan 8.290 nan 0.000 0.549 124 T N -1.928 112.599 114.554 -0.044 0.000 3.004 124 T HA 0.514 4.864 4.350 -0.000 0.000 0.266 124 T C 1.095 175.725 174.700 -0.118 0.000 0.986 124 T CA 0.470 62.498 62.100 -0.120 0.000 0.902 124 T CB 0.594 69.300 68.868 -0.270 0.000 1.118 124 T HN 1.703 nan 8.240 nan 0.000 0.522 125 G N 1.766 110.522 108.800 -0.073 0.000 2.712 125 G HA2 -0.140 3.820 3.960 -0.000 0.000 0.686 125 G HA3 -0.140 3.820 3.960 -0.000 0.000 0.686 125 G C 0.247 175.052 174.900 -0.157 0.000 1.321 125 G CA -0.250 44.792 45.100 -0.096 0.000 0.813 125 G HN 0.636 nan 8.290 nan 0.000 0.599 126 W N 0.369 121.430 121.300 -0.398 0.000 2.825 126 W HA 0.036 4.696 4.660 0.000 0.000 0.243 126 W C 1.485 177.825 176.519 -0.298 0.000 1.293 126 W CA 1.774 58.728 57.345 -0.652 0.000 1.403 126 W CB -1.335 27.635 29.460 -0.816 0.000 1.134 126 W HN 1.077 nan 8.180 nan 0.000 0.666 127 T N -0.957 113.027 114.554 -0.950 0.000 3.113 127 T HA -0.003 4.347 4.350 -0.000 0.000 0.256 127 T C 1.335 175.493 174.700 -0.902 0.000 1.131 127 T CA 0.519 61.733 62.100 -1.476 0.000 1.074 127 T CB -0.683 67.231 68.868 -1.591 0.000 0.944 127 T HN 0.248 nan 8.240 nan 0.000 0.516 128 V N 1.959 121.593 119.914 -0.466 0.000 5.114 128 V HA -0.221 3.899 4.120 -0.000 0.000 0.239 128 V C -0.641 175.201 176.094 -0.422 0.000 0.680 128 V CA 0.221 62.338 62.300 -0.304 0.000 0.660 128 V CB -2.227 29.523 31.823 -0.121 0.000 0.454 128 V HN 0.577 nan 8.190 nan 0.000 0.752 129 Y N 3.190 123.183 120.300 -0.512 0.000 2.411 129 Y HA 0.533 5.083 4.550 -0.000 0.000 0.333 129 Y C -1.098 174.474 175.900 -0.548 0.000 1.186 129 Y CA -2.514 55.207 58.100 -0.633 0.000 1.381 129 Y CB 0.392 38.682 38.460 -0.282 0.000 1.273 129 Y HN 0.354 nan 8.280 nan 0.000 0.546 130 P HA 0.299 nan 4.420 nan 0.000 0.285 130 P C -2.410 174.826 177.300 -0.106 0.000 1.269 130 P CA -2.082 60.858 63.100 -0.267 0.000 0.844 130 P CB 1.966 33.476 31.700 -0.317 0.000 1.094 131 P HA -0.056 nan 4.420 nan 0.000 0.221 131 P C 1.659 178.975 177.300 0.027 0.000 1.150 131 P CA 0.394 63.502 63.100 0.014 0.000 0.800 131 P CB -0.124 31.600 31.700 0.041 0.000 0.787 132 L N 0.325 121.572 121.223 0.038 0.000 2.081 132 L HA -0.156 4.184 4.340 -0.000 0.000 0.212 132 L C 1.995 178.936 176.870 0.118 0.000 1.080 132 L CA 2.116 57.016 54.840 0.100 0.000 0.754 132 L CB -1.461 40.653 42.059 0.091 0.000 0.893 132 L HN -0.068 nan 8.230 nan 0.000 0.433 133 A N -0.962 121.827 122.820 -0.052 0.000 2.169 133 A HA 0.345 4.665 4.320 -0.000 0.000 0.212 133 A C 1.553 179.097 177.584 -0.067 0.000 1.153 133 A CA 0.478 52.423 52.037 -0.153 0.000 0.756 133 A CB -1.245 17.588 19.000 -0.279 0.000 0.813 133 A HN 0.499 nan 8.150 nan 0.000 0.471 134 G N 0.323 109.120 108.800 -0.006 0.000 2.590 134 G HA2 0.168 4.128 3.960 -0.000 0.000 0.276 134 G HA3 0.168 4.128 3.960 -0.000 0.000 0.276 134 G C 0.541 175.476 174.900 0.059 0.000 1.337 134 G CA 0.243 45.359 45.100 0.027 0.000 1.030 134 G HN 0.531 nan 8.290 nan 0.000 0.534 135 N N -0.894 117.837 118.700 0.051 0.000 2.398 135 N HA 0.021 4.761 4.740 -0.000 0.000 0.188 135 N C 1.367 176.902 175.510 0.042 0.000 1.122 135 N CA 0.080 53.159 53.050 0.048 0.000 0.866 135 N CB 0.264 38.774 38.487 0.038 0.000 0.970 135 N HN 0.255 nan 8.380 nan 0.000 0.462 136 L N 0.399 121.647 121.223 0.041 0.000 2.194 136 L HA 0.360 4.700 4.340 -0.000 0.000 0.197 136 L C 2.039 178.920 176.870 0.018 0.000 1.106 136 L CA 1.350 56.206 54.840 0.027 0.000 0.785 136 L CB -1.341 40.735 42.059 0.028 0.000 0.960 136 L HN 0.228 nan 8.230 nan 0.000 0.465 137 A N -1.596 121.244 122.820 0.033 0.000 2.070 137 A HA -0.189 4.131 4.320 -0.000 0.000 0.220 137 A C 0.704 178.255 177.584 -0.055 0.000 1.159 137 A CA 1.264 53.308 52.037 0.012 0.000 0.656 137 A CB -0.621 18.418 19.000 0.064 0.000 0.800 137 A HN 0.681 nan 8.150 nan 0.000 0.453 138 H N -1.558 117.514 119.070 0.003 0.000 2.779 138 H HA 0.523 5.079 4.556 -0.000 0.000 0.230 138 H C 0.259 175.588 175.328 0.001 0.000 1.365 138 H CA -0.106 55.943 56.048 0.002 0.000 1.086 138 H CB 0.277 30.034 29.762 -0.008 0.000 2.038 138 H HN 0.460 nan 8.280 nan 0.000 0.558 139 A N 0.813 123.663 122.820 0.051 0.000 2.555 139 A HA 0.480 4.800 4.320 -0.000 0.000 0.233 139 A C 1.054 178.668 177.584 0.049 0.000 1.060 139 A CA 1.054 53.116 52.037 0.043 0.000 0.759 139 A CB -0.321 18.690 19.000 0.019 0.000 0.995 139 A HN 0.817 nan 8.150 nan 0.000 0.506 140 G N -0.857 107.971 108.800 0.047 0.000 2.515 140 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 0.506 175.435 174.900 0.049 0.000 1.274 140 G CA 0.082 45.211 45.100 0.047 0.000 0.874 140 G HN 2.019 nan 8.290 nan 0.000 0.631 141 A N 0.074 122.922 122.820 0.048 0.000 2.216 141 A HA 0.303 4.623 4.320 -0.000 0.000 0.214 141 A C 2.547 180.157 177.584 0.043 0.000 1.160 141 A CA 2.486 54.552 52.037 0.048 0.000 0.725 141 A CB -0.470 18.565 19.000 0.059 0.000 0.784 141 A HN 1.423 nan 8.150 nan 0.000 0.472 142 S N -0.487 115.245 115.700 0.054 0.000 2.343 142 S HA -0.140 4.330 4.470 -0.000 0.000 0.219 142 S C 1.895 176.502 174.600 0.011 0.000 1.033 142 S CA 1.518 59.750 58.200 0.053 0.000 1.014 142 S CB -0.475 62.780 63.200 0.092 0.000 0.915 142 S HN 0.374 nan 8.310 nan 0.000 0.435 143 V N 2.579 122.486 119.914 -0.012 0.000 2.407 143 V HA -0.183 3.937 4.120 -0.000 0.000 0.248 143 V C 2.035 178.045 176.094 -0.140 0.000 1.055 143 V CA 1.769 64.013 62.300 -0.092 0.000 1.049 143 V CB -0.751 30.994 31.823 -0.129 0.000 0.662 143 V HN 0.373 nan 8.190 nan 0.000 0.455 144 D N 0.007 120.329 120.400 -0.131 0.000 2.149 144 D HA -0.138 4.502 4.640 -0.000 0.000 0.198 144 D C 2.113 178.254 176.300 -0.264 0.000 0.990 144 D CA 1.227 55.073 54.000 -0.257 0.000 0.839 144 D CB -0.199 40.508 40.800 -0.154 0.000 0.948 144 D HN 0.355 nan 8.370 nan 0.000 0.460 145 L N 0.324 121.518 121.223 -0.049 0.000 2.056 145 L HA -0.132 4.208 4.340 -0.000 0.000 0.207 145 L C 2.498 179.364 176.870 -0.006 0.000 1.078 145 L CA 1.055 55.932 54.840 0.062 0.000 0.749 145 L CB -0.579 41.525 42.059 0.075 0.000 0.901 145 L HN -0.002 nan 8.230 nan 0.000 0.433 146 T N 0.164 114.673 114.554 -0.076 0.000 2.788 146 T HA -0.136 4.214 4.350 -0.000 0.000 0.268 146 T C 1.910 176.456 174.700 -0.258 0.000 1.044 146 T CA 1.251 63.265 62.100 -0.143 0.000 1.139 146 T CB -0.154 68.647 68.868 -0.111 0.000 0.867 146 T HN 0.200 nan 8.240 nan 0.000 0.454 147 I N 0.070 120.457 120.570 -0.305 0.000 2.394 147 I HA -0.117 4.053 4.170 -0.000 0.000 0.251 147 I C 1.774 177.646 176.117 -0.409 0.000 1.136 147 I CA 1.207 62.246 61.300 -0.435 0.000 1.425 147 I CB -0.247 37.443 38.000 -0.517 0.000 1.079 147 I HN 0.193 nan 8.210 nan 0.000 0.425 148 F N 0.052 119.913 119.950 -0.149 0.000 2.416 148 F HA -0.079 4.448 4.527 -0.000 0.000 0.296 148 F C 2.857 178.640 175.800 -0.028 0.000 1.099 148 F CA 0.947 58.931 58.000 -0.027 0.000 1.427 148 F CB -1.030 37.996 39.000 0.043 0.000 1.079 148 F HN -0.006 nan 8.300 nan 0.000 0.536 149 S N 0.139 115.905 115.700 0.108 0.000 2.382 149 S HA -0.145 4.325 4.470 -0.000 0.000 0.228 149 S C 2.030 176.624 174.600 -0.010 0.000 1.027 149 S CA 1.119 59.369 58.200 0.083 0.000 0.991 149 S CB -0.284 62.951 63.200 0.058 0.000 0.823 149 S HN 0.158 nan 8.310 nan 0.000 0.469 150 L N 0.996 122.089 121.223 -0.217 0.000 2.179 150 L HA 0.162 4.502 4.340 -0.000 0.000 0.208 150 L C 2.191 178.981 176.870 -0.133 0.000 1.096 150 L CA 1.603 56.230 54.840 -0.356 0.000 0.779 150 L CB -1.330 40.400 42.059 -0.549 0.000 0.922 150 L HN 0.475 nan 8.230 nan 0.000 0.443 151 H N -1.213 117.838 119.070 -0.031 0.000 2.321 151 H HA -0.118 4.438 4.556 -0.000 0.000 0.300 151 H C 2.186 177.527 175.328 0.022 0.000 1.087 151 H CA 1.162 57.222 56.048 0.020 0.000 1.319 151 H CB 0.155 29.994 29.762 0.128 0.000 1.379 151 H HN 0.175 nan 8.280 nan 0.000 0.501 152 L N -0.118 121.213 121.223 0.180 0.000 2.027 152 L HA -0.139 4.201 4.340 -0.000 0.000 0.206 152 L C 2.886 179.820 176.870 0.106 0.000 1.074 152 L CA 0.812 55.722 54.840 0.117 0.000 0.745 152 L CB -0.580 41.544 42.059 0.108 0.000 0.898 152 L HN 0.336 nan 8.230 nan 0.000 0.433 153 A N 0.480 123.367 122.820 0.111 0.000 1.940 153 A HA -0.145 4.175 4.320 -0.000 0.000 0.219 153 A C 2.369 180.028 177.584 0.125 0.000 1.176 153 A CA 1.847 53.963 52.037 0.130 0.000 0.631 153 A CB -1.127 17.919 19.000 0.077 0.000 0.814 153 A HN 0.465 nan 8.150 nan 0.000 0.446 154 G N -0.878 107.973 108.800 0.085 0.000 2.403 154 G HA2 -0.011 3.949 3.960 -0.000 0.000 0.216 154 G HA3 -0.011 3.949 3.960 -0.000 0.000 0.216 154 G C 1.470 176.418 174.900 0.081 0.000 1.154 154 G CA 1.071 46.219 45.100 0.080 0.000 0.784 154 G HN 0.307 nan 8.290 nan 0.000 0.538 155 V N 1.295 121.255 119.914 0.076 0.000 2.307 155 V HA -0.195 3.925 4.120 -0.000 0.000 0.245 155 V C 3.120 179.258 176.094 0.074 0.000 1.045 155 V CA 2.219 64.555 62.300 0.060 0.000 1.024 155 V CB -0.443 31.405 31.823 0.041 0.000 0.651 155 V HN 0.550 nan 8.190 nan 0.000 0.449 156 S N 0.347 116.098 115.700 0.085 0.000 2.365 156 S HA -0.263 4.207 4.470 -0.000 0.000 0.225 156 S C 2.124 176.803 174.600 0.133 0.000 1.039 156 S CA 2.505 60.767 58.200 0.103 0.000 1.033 156 S CB -0.447 62.810 63.200 0.094 0.000 0.887 156 S HN 0.617 nan 8.310 nan 0.000 0.447 157 S N 1.430 117.209 115.700 0.130 0.000 2.357 157 S HA 0.120 4.590 4.470 -0.000 0.000 0.221 157 S C 1.854 176.530 174.600 0.126 0.000 1.031 157 S CA 1.293 59.573 58.200 0.132 0.000 0.982 157 S CB -0.543 62.726 63.200 0.116 0.000 0.853 157 S HN 0.554 nan 8.310 nan 0.000 0.458 158 I N 1.064 121.697 120.570 0.105 0.000 2.208 158 I HA -0.195 3.975 4.170 -0.000 0.000 0.245 158 I C 2.141 178.317 176.117 0.098 0.000 1.097 158 I CA 0.817 62.173 61.300 0.094 0.000 1.363 158 I CB -0.283 37.759 38.000 0.070 0.000 1.051 158 I HN 0.209 nan 8.210 nan 0.000 0.413 159 L N 0.700 121.979 121.223 0.094 0.000 1.976 159 L HA -0.140 4.200 4.340 -0.000 0.000 0.209 159 L C 2.539 179.489 176.870 0.134 0.000 1.071 159 L CA 2.332 57.226 54.840 0.089 0.000 0.746 159 L CB -1.585 40.520 42.059 0.078 0.000 0.890 159 L HN 0.230 nan 8.230 nan 0.000 0.432 160 G N -1.802 107.103 108.800 0.176 0.000 2.471 160 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.219 160 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.219 160 G C 1.615 176.729 174.900 0.356 0.000 1.125 160 G CA 0.764 46.010 45.100 0.243 0.000 0.775 160 G HN 0.540 nan 8.290 nan 0.000 0.548 161 A N 0.829 123.805 122.820 0.260 0.000 1.930 161 A HA 0.083 4.403 4.320 -0.000 0.000 0.217 161 A C 2.333 180.049 177.584 0.221 0.000 1.175 161 A CA 1.043 53.222 52.037 0.237 0.000 0.627 161 A CB -0.271 18.816 19.000 0.145 0.000 0.815 161 A HN 0.383 nan 8.150 nan 0.000 0.443 162 I N -0.259 120.419 120.570 0.181 0.000 2.315 162 I HA -0.224 3.946 4.170 -0.000 0.000 0.248 162 I C 2.412 178.670 176.117 0.235 0.000 1.117 162 I CA 1.144 62.550 61.300 0.176 0.000 1.404 162 I CB -0.428 37.648 38.000 0.126 0.000 1.071 162 I HN 0.325 nan 8.210 nan 0.000 0.419 163 N N 1.134 119.963 118.700 0.216 0.000 2.084 163 N HA -0.171 4.569 4.740 -0.000 0.000 0.190 163 N C 1.846 177.284 175.510 -0.120 0.000 1.030 163 N CA 1.716 54.814 53.050 0.079 0.000 0.849 163 N CB -0.211 38.250 38.487 -0.044 0.000 1.012 163 N HN 0.180 nan 8.380 nan 0.000 0.423 164 F N 1.048 120.997 119.950 -0.002 0.000 2.146 164 F HA 0.038 4.565 4.527 -0.000 0.000 0.298 164 F C 2.319 178.079 175.800 -0.067 0.000 1.096 164 F CA 0.630 58.599 58.000 -0.053 0.000 1.275 164 F CB -0.298 38.672 39.000 -0.051 0.000 1.008 164 F HN 0.016 nan 8.300 nan 0.000 0.480 165 I N -0.865 119.800 120.570 0.158 0.000 2.202 165 I HA -0.263 3.907 4.170 -0.000 0.000 0.242 165 I C 2.292 178.411 176.117 0.002 0.000 1.091 165 I CA 1.515 62.855 61.300 0.067 0.000 1.368 165 I CB -0.901 37.145 38.000 0.077 0.000 1.058 165 I HN 0.065 nan 8.210 nan 0.000 0.410 166 T N 0.276 114.834 114.554 0.007 0.000 2.720 166 T HA -0.168 4.182 4.350 -0.000 0.000 0.268 166 T C 1.895 176.493 174.700 -0.170 0.000 1.037 166 T CA 2.083 64.145 62.100 -0.063 0.000 1.144 166 T CB -0.361 68.473 68.868 -0.057 0.000 0.864 166 T HN 0.383 nan 8.240 nan 0.000 0.444 167 T N 2.386 116.813 114.554 -0.211 0.000 2.614 167 T HA 0.010 4.360 4.350 -0.000 0.000 0.263 167 T C 1.984 176.577 174.700 -0.177 0.000 1.055 167 T CA 1.129 63.084 62.100 -0.241 0.000 1.162 167 T CB -0.535 68.167 68.868 -0.277 0.000 0.863 167 T HN 0.315 nan 8.240 nan 0.000 0.414 168 I N 0.374 120.869 120.570 -0.125 0.000 2.399 168 I HA -0.143 4.027 4.170 -0.000 0.000 0.254 168 I C 2.102 178.112 176.117 -0.179 0.000 1.146 168 I CA 1.299 62.515 61.300 -0.140 0.000 1.412 168 I CB -0.375 37.559 38.000 -0.111 0.000 1.076 168 I HN 0.261 nan 8.210 nan 0.000 0.432 169 I N -0.016 120.463 120.570 -0.151 0.000 2.810 169 I HA -0.124 4.046 4.170 -0.000 0.000 0.262 169 I C 1.968 178.004 176.117 -0.135 0.000 1.131 169 I CA 0.812 62.022 61.300 -0.149 0.000 1.453 169 I CB -0.053 37.883 38.000 -0.107 0.000 1.161 169 I HN 0.190 nan 8.210 nan 0.000 0.444 170 N N 0.551 119.171 118.700 -0.133 0.000 2.325 170 N HA 0.094 4.834 4.740 -0.000 0.000 0.182 170 N C 0.884 176.309 175.510 -0.141 0.000 1.088 170 N CA 0.495 53.470 53.050 -0.125 0.000 0.879 170 N CB 0.298 38.715 38.487 -0.117 0.000 0.983 170 N HN 0.134 nan 8.380 nan 0.000 0.471 171 M N 0.228 119.729 119.600 -0.165 0.000 2.876 171 M HA 0.252 4.732 4.480 -0.000 0.000 0.367 171 M C -0.618 175.577 176.300 -0.176 0.000 1.242 171 M CA -0.273 54.924 55.300 -0.172 0.000 0.889 171 M CB 0.816 33.296 32.600 -0.200 0.000 1.353 171 M HN -0.136 nan 8.290 nan 0.000 0.511 172 K N 1.022 121.325 120.400 -0.162 0.000 2.106 172 K HA 0.530 4.850 4.320 -0.000 0.000 0.246 172 K C -2.497 174.016 176.600 -0.146 0.000 0.987 172 K CA -1.760 54.428 56.287 -0.164 0.000 0.904 172 K CB 0.582 32.988 32.500 -0.156 0.000 1.071 172 K HN -0.126 nan 8.250 nan 0.000 0.453 173 P HA 0.017 nan 4.420 nan 0.000 0.263 173 P C -2.164 175.070 177.300 -0.111 0.000 1.195 173 P CA -0.855 62.170 63.100 -0.125 0.000 0.762 173 P CB 0.237 31.866 31.700 -0.118 0.000 0.799 174 P HA -0.262 nan 4.420 nan 0.000 0.218 174 P C 0.888 178.137 177.300 -0.085 0.000 1.147 174 P CA 1.789 64.835 63.100 -0.089 0.000 0.827 174 P CB -0.118 31.532 31.700 -0.083 0.000 0.778 175 A N -2.297 120.465 122.820 -0.097 0.000 2.195 175 A HA 0.155 4.475 4.320 -0.000 0.000 0.210 175 A C 1.156 178.701 177.584 -0.065 0.000 1.165 175 A CA -0.086 51.900 52.037 -0.084 0.000 0.806 175 A CB -0.719 18.215 19.000 -0.110 0.000 0.847 175 A HN 0.165 nan 8.150 nan 0.000 0.482 176 M N 2.105 121.661 119.600 -0.073 0.000 2.120 176 M HA 0.312 4.792 4.480 -0.000 0.000 0.354 176 M C 0.383 176.641 176.300 -0.070 0.000 1.287 176 M CA -0.260 55.002 55.300 -0.063 0.000 1.103 176 M CB 0.731 33.287 32.600 -0.075 0.000 1.623 176 M HN 0.377 nan 8.290 nan 0.000 0.471 177 S N 3.167 118.841 115.700 -0.044 0.000 2.669 177 S HA 0.196 4.666 4.470 -0.000 0.000 0.270 177 S C 0.601 175.118 174.600 -0.138 0.000 1.225 177 S CA -0.559 57.599 58.200 -0.069 0.000 0.991 177 S CB 1.516 64.726 63.200 0.017 0.000 0.987 177 S HN 0.853 nan 8.310 nan 0.000 0.552 178 Q N -0.284 119.336 119.800 -0.301 0.000 2.226 178 Q HA -0.005 4.335 4.340 -0.000 0.000 0.204 178 Q C 0.436 176.326 176.000 -0.183 0.000 0.975 178 Q CA 1.597 57.137 55.803 -0.438 0.000 0.866 178 Q CB -0.495 27.859 28.738 -0.640 0.000 0.915 178 Q HN 0.851 nan 8.270 nan 0.000 0.440 179 Y N -0.582 119.909 120.300 0.317 0.000 2.465 179 Y HA 0.121 4.671 4.550 -0.000 0.000 0.311 179 Y C 1.032 177.103 175.900 0.285 0.000 1.204 179 Y CA 0.326 58.715 58.100 0.482 0.000 1.272 179 Y CB 0.029 38.695 38.460 0.343 0.000 1.083 179 Y HN 0.153 nan 8.280 nan 0.000 0.508 180 Q N -0.790 119.145 119.800 0.225 0.000 2.140 180 Q HA 0.100 4.440 4.340 -0.000 0.000 0.227 180 Q C 0.476 176.533 176.000 0.094 0.000 0.798 180 Q CA -0.078 55.773 55.803 0.080 0.000 0.987 180 Q CB 0.833 29.587 28.738 0.027 0.000 1.161 180 Q HN 0.328 nan 8.270 nan 0.000 0.480 181 T N -1.320 113.318 114.554 0.140 0.000 2.913 181 T HA 0.510 4.860 4.350 -0.000 0.000 0.287 181 T C -2.535 172.369 174.700 0.341 0.000 1.008 181 T CA -1.944 60.214 62.100 0.097 0.000 1.067 181 T CB 1.235 70.016 68.868 -0.146 0.000 0.996 181 T HN -0.206 nan 8.240 nan 0.000 0.513 182 P HA 0.230 nan 4.420 nan 0.000 0.272 182 P C 0.976 178.650 177.300 0.624 0.000 1.223 182 P CA -0.551 62.845 63.100 0.494 0.000 0.784 182 P CB 0.442 32.466 31.700 0.540 0.000 0.923 183 L N 0.649 122.274 121.223 0.669 0.000 2.083 183 L HA -0.179 4.161 4.340 -0.000 0.000 0.209 183 L C 2.171 179.392 176.870 0.584 0.000 1.083 183 L CA 1.385 56.580 54.840 0.593 0.000 0.752 183 L CB -0.670 41.636 42.059 0.412 0.000 0.899 183 L HN 0.365 nan 8.230 nan 0.000 0.433 184 F N 0.632 120.920 119.950 0.563 0.000 2.095 184 F HA -0.224 4.303 4.527 -0.000 0.000 0.298 184 F C 2.274 178.168 175.800 0.157 0.000 1.104 184 F CA 1.663 59.766 58.000 0.171 0.000 1.232 184 F CB -0.411 38.427 39.000 -0.270 0.000 0.987 184 F HN -0.239 nan 8.300 nan 0.000 0.475 185 V N -0.802 119.199 119.914 0.145 0.000 2.287 185 V HA -0.359 3.761 4.120 -0.000 0.000 0.248 185 V C 2.192 178.268 176.094 -0.030 0.000 1.053 185 V CA 2.186 64.470 62.300 -0.027 0.000 1.027 185 V CB -1.265 30.571 31.823 0.021 0.000 0.646 185 V HN 0.526 nan 8.190 nan 0.000 0.447 186 W N 0.793 122.100 121.300 0.011 0.000 2.335 186 W HA -0.255 4.405 4.660 -0.000 0.000 0.311 186 W C 3.089 179.574 176.519 -0.056 0.000 1.213 186 W CA 2.044 59.386 57.345 -0.005 0.000 1.274 186 W CB -0.451 29.025 29.460 0.027 0.000 1.148 186 W HN 0.366 nan 8.180 nan 0.000 0.498 187 S N 0.117 115.937 115.700 0.201 0.000 2.370 187 S HA -0.241 4.229 4.470 -0.000 0.000 0.226 187 S C 1.900 176.423 174.600 -0.128 0.000 1.033 187 S CA 1.762 59.993 58.200 0.051 0.000 1.011 187 S CB -1.146 62.092 63.200 0.064 0.000 0.852 187 S HN 0.232 nan 8.310 nan 0.000 0.457 188 V N 0.360 120.067 119.914 -0.345 0.000 2.951 188 V HA 0.168 4.288 4.120 -0.000 0.000 0.255 188 V C 2.167 178.120 176.094 -0.235 0.000 1.088 188 V CA 1.581 63.630 62.300 -0.419 0.000 1.109 188 V CB -0.592 30.802 31.823 -0.715 0.000 0.724 188 V HN 0.662 nan 8.190 nan 0.000 0.471 189 M N -0.039 119.502 119.600 -0.099 0.000 2.099 189 M HA -0.059 4.421 4.480 -0.000 0.000 0.262 189 M C 2.068 178.391 176.300 0.038 0.000 1.067 189 M CA 2.394 57.681 55.300 -0.021 0.000 1.124 189 M CB -0.217 32.363 32.600 -0.034 0.000 1.353 189 M HN 0.387 nan 8.290 nan 0.000 0.410 190 I N -0.109 120.523 120.570 0.103 0.000 2.163 190 I HA -0.309 3.861 4.170 -0.000 0.000 0.243 190 I C 2.232 178.389 176.117 0.067 0.000 1.085 190 I CA 1.679 63.050 61.300 0.119 0.000 1.347 190 I CB -0.795 37.295 38.000 0.148 0.000 1.044 190 I HN 0.355 nan 8.210 nan 0.000 0.408 191 T N 0.750 115.306 114.554 0.002 0.000 2.684 191 T HA -0.234 4.116 4.350 -0.000 0.000 0.267 191 T C 2.050 176.734 174.700 -0.028 0.000 1.036 191 T CA 1.654 63.733 62.100 -0.036 0.000 1.148 191 T CB -0.374 68.417 68.868 -0.127 0.000 0.863 191 T HN 0.513 nan 8.240 nan 0.000 0.436 192 A N 0.777 123.563 122.820 -0.056 0.000 1.940 192 A HA -0.085 4.235 4.320 -0.000 0.000 0.219 192 A C 2.583 180.207 177.584 0.067 0.000 1.176 192 A CA 1.551 53.586 52.037 -0.003 0.000 0.631 192 A CB -1.016 17.998 19.000 0.023 0.000 0.814 192 A HN 0.379 nan 8.150 nan 0.000 0.446 193 V N -0.421 119.542 119.914 0.082 0.000 2.343 193 V HA -0.222 3.898 4.120 -0.000 0.000 0.247 193 V C 2.479 178.670 176.094 0.161 0.000 1.051 193 V CA 1.818 64.183 62.300 0.109 0.000 1.036 193 V CB -0.746 31.141 31.823 0.107 0.000 0.654 193 V HN 0.479 nan 8.190 nan 0.000 0.451 194 L N -0.777 120.559 121.223 0.189 0.000 2.079 194 L HA -0.155 4.185 4.340 -0.000 0.000 0.210 194 L C 2.203 179.199 176.870 0.209 0.000 1.081 194 L CA 1.762 56.766 54.840 0.273 0.000 0.752 194 L CB -0.869 41.276 42.059 0.144 0.000 0.896 194 L HN 0.245 nan 8.230 nan 0.000 0.433 195 L N -1.873 119.428 121.223 0.130 0.000 2.056 195 L HA -0.210 4.130 4.340 -0.000 0.000 0.207 195 L C 2.427 179.384 176.870 0.145 0.000 1.078 195 L CA 0.647 55.563 54.840 0.126 0.000 0.749 195 L CB -0.520 41.590 42.059 0.084 0.000 0.901 195 L HN 0.209 nan 8.230 nan 0.000 0.433 196 L N -0.510 120.793 121.223 0.133 0.000 2.079 196 L HA -0.232 4.108 4.340 -0.000 0.000 0.210 196 L C 2.208 179.156 176.870 0.130 0.000 1.081 196 L CA 1.788 56.698 54.840 0.117 0.000 0.752 196 L CB -0.185 41.932 42.059 0.098 0.000 0.896 196 L HN 0.145 nan 8.230 nan 0.000 0.433 197 L N -1.896 119.432 121.223 0.176 0.000 2.168 197 L HA -0.031 4.309 4.340 -0.000 0.000 0.203 197 L C 2.571 179.624 176.870 0.306 0.000 1.078 197 L CA 1.050 56.012 54.840 0.204 0.000 0.780 197 L CB -0.643 41.496 42.059 0.134 0.000 0.939 197 L HN 0.416 nan 8.230 nan 0.000 0.451 198 S N -0.159 115.749 115.700 0.346 0.000 2.371 198 S HA -0.095 4.375 4.470 -0.000 0.000 0.221 198 S C 1.977 176.749 174.600 0.286 0.000 1.036 198 S CA 0.267 58.654 58.200 0.312 0.000 0.965 198 S CB -0.500 62.795 63.200 0.159 0.000 0.845 198 S HN 0.122 nan 8.310 nan 0.000 0.475 199 L N 2.892 124.254 121.223 0.232 0.000 2.081 199 L HA 0.076 4.416 4.340 -0.000 0.000 0.212 199 L C -0.924 175.945 176.870 -0.003 0.000 1.080 199 L CA 1.474 56.350 54.840 0.061 0.000 0.754 199 L CB -1.697 40.412 42.059 0.082 0.000 0.893 199 L HN 0.277 nan 8.230 nan 0.000 0.433 200 P HA -0.065 nan 4.420 nan 0.000 0.219 200 P C 2.016 179.328 177.300 0.019 0.000 1.150 200 P CA 0.785 63.906 63.100 0.035 0.000 0.814 200 P CB 0.146 31.878 31.700 0.053 0.000 0.787 201 V N -0.242 119.709 119.914 0.062 0.000 2.343 201 V HA -0.214 3.906 4.120 -0.000 0.000 0.247 201 V C 2.358 178.421 176.094 -0.051 0.000 1.051 201 V CA 1.494 63.818 62.300 0.040 0.000 1.036 201 V CB -1.277 30.646 31.823 0.166 0.000 0.654 201 V HN 0.065 nan 8.190 nan 0.000 0.451 202 L N 1.131 122.262 121.223 -0.153 0.000 2.017 202 L HA -0.104 4.236 4.340 -0.000 0.000 0.208 202 L C 2.484 179.245 176.870 -0.182 0.000 1.073 202 L CA 2.329 56.969 54.840 -0.333 0.000 0.745 202 L CB -0.801 40.731 42.059 -0.878 0.000 0.894 202 L HN 0.208 nan 8.230 nan 0.000 0.432 203 A N -0.492 122.262 122.820 -0.110 0.000 1.978 203 A HA -0.150 4.170 4.320 -0.000 0.000 0.220 203 A C 2.407 180.037 177.584 0.077 0.000 1.170 203 A CA 1.900 53.964 52.037 0.044 0.000 0.636 203 A CB -1.087 17.955 19.000 0.071 0.000 0.810 203 A HN 0.631 nan 8.150 nan 0.000 0.448 204 A N -0.577 122.246 122.820 0.005 0.000 1.854 204 A HA 0.240 4.560 4.320 -0.000 0.000 0.214 204 A C 2.459 180.037 177.584 -0.010 0.000 1.192 204 A CA 1.686 53.715 52.037 -0.015 0.000 0.611 204 A CB -1.470 17.501 19.000 -0.048 0.000 0.832 204 A HN 0.717 nan 8.150 nan 0.000 0.442 205 G N 1.085 109.878 108.800 -0.011 0.000 2.491 205 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.218 205 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.218 205 G C 1.511 176.516 174.900 0.174 0.000 1.180 205 G CA 1.465 46.601 45.100 0.060 0.000 0.774 205 G HN 0.891 nan 8.290 nan 0.000 0.562 206 I N -1.827 118.795 120.570 0.086 0.000 2.756 206 I HA 0.023 4.193 4.170 -0.000 0.000 0.262 206 I C 2.238 178.388 176.117 0.055 0.000 1.225 206 I CA 1.536 62.870 61.300 0.056 0.000 1.472 206 I CB -0.517 37.400 38.000 -0.137 0.000 1.094 206 I HN -0.044 nan 8.210 nan 0.000 0.454 207 T N 1.247 115.879 114.554 0.129 0.000 2.896 207 T HA 0.071 4.421 4.350 -0.000 0.000 0.263 207 T C 1.898 176.652 174.700 0.090 0.000 1.050 207 T CA 1.355 63.554 62.100 0.164 0.000 1.140 207 T CB -0.103 68.854 68.868 0.148 0.000 0.877 207 T HN 0.318 nan 8.240 nan 0.000 0.457 208 M N 0.349 119.967 119.600 0.030 0.000 2.132 208 M HA -0.006 4.474 4.480 -0.000 0.000 0.263 208 M C 2.193 178.668 176.300 0.292 0.000 1.065 208 M CA 1.219 56.460 55.300 -0.099 0.000 1.122 208 M CB -0.345 31.970 32.600 -0.474 0.000 1.365 208 M HN 0.182 nan 8.290 nan 0.000 0.411 209 L N 0.422 121.919 121.223 0.457 0.000 2.056 209 L HA -0.137 4.203 4.340 -0.000 0.000 0.207 209 L C 2.133 179.098 176.870 0.158 0.000 1.078 209 L CA 1.511 56.572 54.840 0.368 0.000 0.749 209 L CB -0.591 41.523 42.059 0.092 0.000 0.901 209 L HN 0.210 nan 8.230 nan 0.000 0.433 210 L N -0.847 120.423 121.223 0.077 0.000 2.131 210 L HA -0.165 4.175 4.340 -0.000 0.000 0.210 210 L C 2.467 179.384 176.870 0.078 0.000 1.092 210 L CA 2.199 57.045 54.840 0.010 0.000 0.759 210 L CB -0.683 41.352 42.059 -0.039 0.000 0.903 210 L HN 0.603 nan 8.230 nan 0.000 0.435 211 T N -5.222 109.416 114.554 0.141 0.000 2.942 211 T HA -0.100 4.250 4.350 -0.000 0.000 0.265 211 T C 1.619 176.406 174.700 0.145 0.000 1.062 211 T CA 0.964 63.157 62.100 0.155 0.000 1.139 211 T CB -0.488 68.513 68.868 0.222 0.000 0.883 211 T HN 0.215 nan 8.240 nan 0.000 0.468 212 D N 1.423 121.938 120.400 0.190 0.000 2.218 212 D HA 0.028 4.668 4.640 -0.000 0.000 0.204 212 D C 2.334 178.693 176.300 0.099 0.000 0.976 212 D CA 0.731 54.823 54.000 0.154 0.000 0.853 212 D CB -0.109 40.838 40.800 0.245 0.000 0.939 212 D HN 0.470 nan 8.370 nan 0.000 0.481 213 R N -0.415 120.134 120.500 0.082 0.000 2.254 213 R HA 0.197 4.537 4.340 -0.000 0.000 0.195 213 R C 0.947 177.272 176.300 0.042 0.000 0.957 213 R CA 0.466 56.595 56.100 0.048 0.000 1.024 213 R CB 0.348 30.659 30.300 0.018 0.000 0.952 213 R HN 0.132 nan 8.270 nan 0.000 0.484 214 N N -0.907 117.823 118.700 0.051 0.000 2.166 214 N HA 0.044 4.784 4.740 -0.000 0.000 0.222 214 N C 0.136 175.676 175.510 0.051 0.000 1.282 214 N CA 0.145 53.224 53.050 0.050 0.000 0.890 214 N CB 0.915 39.437 38.487 0.058 0.000 1.114 214 N HN -0.001 nan 8.380 nan 0.000 0.494 215 L N 1.621 122.878 121.223 0.056 0.000 3.014 215 L HA 0.339 4.679 4.340 -0.000 0.000 0.263 215 L C 0.009 176.893 176.870 0.023 0.000 1.207 215 L CA 0.110 54.977 54.840 0.046 0.000 1.017 215 L CB -0.535 41.562 42.059 0.063 0.000 1.360 215 L HN -0.022 nan 8.230 nan 0.000 0.560 216 N N -0.242 118.468 118.700 0.017 0.000 2.725 216 N HA -0.172 4.568 4.740 -0.000 0.000 0.249 216 N C 0.466 175.947 175.510 -0.047 0.000 1.103 216 N CA 1.285 54.330 53.050 -0.008 0.000 0.707 216 N CB -1.488 36.992 38.487 -0.010 0.000 1.043 216 N HN 0.559 nan 8.380 nan 0.000 0.553 217 T N -3.190 111.330 114.554 -0.056 0.000 2.824 217 T HA 0.617 4.967 4.350 -0.000 0.000 0.277 217 T C 1.140 175.721 174.700 -0.198 0.000 0.975 217 T CA 0.158 62.142 62.100 -0.193 0.000 0.966 217 T CB 1.817 70.564 68.868 -0.203 0.000 1.054 217 T HN 0.268 nan 8.240 nan 0.000 0.533 218 T N -1.963 112.371 114.554 -0.366 0.000 3.884 218 T HA 0.304 4.654 4.350 -0.000 0.000 0.284 218 T C 0.472 175.001 174.700 -0.285 0.000 0.961 218 T CA -0.634 61.338 62.100 -0.213 0.000 1.071 218 T CB -0.944 67.838 68.868 -0.143 0.000 1.121 218 T HN 0.378 nan 8.240 nan 0.000 0.496 219 F N 1.156 120.915 119.950 -0.318 0.000 2.120 219 F HA 0.092 4.619 4.527 0.000 0.000 0.300 219 F C 1.318 176.797 175.800 -0.535 0.000 1.095 219 F CA 1.424 59.079 58.000 -0.575 0.000 1.249 219 F CB -0.462 37.881 39.000 -1.094 0.000 0.995 219 F HN 0.398 nan 8.300 nan 0.000 0.480 220 F N -1.684 118.395 119.950 0.215 0.000 2.653 220 F HA 0.219 4.746 4.527 0.000 0.000 0.304 220 F C 0.252 176.090 175.800 0.062 0.000 1.092 220 F CA -0.741 57.334 58.000 0.126 0.000 1.279 220 F CB -0.266 38.794 39.000 0.100 0.000 1.044 220 F HN -0.264 nan 8.300 nan 0.000 0.564 221 D N 1.786 122.271 120.400 0.142 0.000 2.329 221 D HA 0.220 4.860 4.640 -0.000 0.000 0.232 221 D C -1.953 174.377 176.300 0.050 0.000 1.088 221 D CA -2.327 51.724 54.000 0.084 0.000 0.835 221 D CB 2.131 42.958 40.800 0.044 0.000 1.078 221 D HN -0.069 nan 8.370 nan 0.000 0.495 222 P HA -0.091 nan 4.420 nan 0.000 0.220 222 P C 1.013 178.325 177.300 0.021 0.000 1.148 222 P CA 1.051 64.176 63.100 0.041 0.000 0.803 222 P CB 0.280 32.008 31.700 0.046 0.000 0.782 223 A N 0.267 123.097 122.820 0.017 0.000 1.873 223 A HA -0.151 4.169 4.320 -0.000 0.000 0.218 223 A C 2.350 179.928 177.584 -0.010 0.000 1.193 223 A CA 2.213 54.253 52.037 0.005 0.000 0.629 223 A CB -1.933 17.070 19.000 0.005 0.000 0.826 223 A HN 0.314 nan 8.150 nan 0.000 0.447 224 G N -2.368 106.417 108.800 -0.024 0.000 3.026 224 G HA2 0.383 4.343 3.960 -0.000 0.000 0.208 224 G HA3 0.383 4.343 3.960 -0.000 0.000 0.208 224 G C 1.105 175.974 174.900 -0.050 0.000 1.169 224 G CA 0.594 45.663 45.100 -0.051 0.000 0.788 224 G HN 1.752 nan 8.290 nan 0.000 0.533 225 G N -1.272 107.515 108.800 -0.023 0.000 2.141 225 G HA2 -0.028 3.932 3.960 -0.000 0.000 0.242 225 G HA3 -0.028 3.932 3.960 -0.000 0.000 0.242 225 G C 0.831 175.728 174.900 -0.005 0.000 0.982 225 G CA 0.239 45.333 45.100 -0.011 0.000 0.662 225 G HN 0.969 nan 8.290 nan 0.000 0.527 226 G N -0.853 107.944 108.800 -0.005 0.000 2.525 226 G HA2 0.477 4.437 3.960 -0.000 0.000 0.276 226 G HA3 0.477 4.437 3.960 -0.000 0.000 0.276 226 G C -0.471 174.482 174.900 0.088 0.000 1.388 226 G CA 0.628 45.741 45.100 0.020 0.000 1.050 226 G HN 0.605 nan 8.290 nan 0.000 0.520 227 D N -1.633 118.865 120.400 0.164 0.000 2.452 227 D HA 0.292 4.933 4.640 -0.000 0.000 0.226 227 D C -2.116 174.350 176.300 0.277 0.000 1.366 227 D CA -1.420 52.693 54.000 0.188 0.000 0.986 227 D CB 1.827 42.729 40.800 0.170 0.000 1.420 227 D HN -0.060 nan 8.370 nan 0.000 0.583 228 P HA -0.084 nan 4.420 nan 0.000 0.220 228 P C 1.475 178.804 177.300 0.048 0.000 1.144 228 P CA 0.492 63.669 63.100 0.129 0.000 0.800 228 P CB 0.325 32.055 31.700 0.051 0.000 0.772 229 I N -1.608 119.007 120.570 0.075 0.000 2.617 229 I HA -0.088 4.082 4.170 -0.000 0.000 0.256 229 I C 2.040 178.202 176.117 0.075 0.000 1.167 229 I CA 0.746 62.047 61.300 0.002 0.000 1.469 229 I CB -1.456 36.559 38.000 0.026 0.000 1.098 229 I HN 0.009 nan 8.210 nan 0.000 0.436 230 L N 0.687 122.066 121.223 0.260 0.000 2.046 230 L HA -0.255 4.085 4.340 -0.000 0.000 0.208 230 L C 2.594 179.652 176.870 0.314 0.000 1.077 230 L CA 1.875 56.933 54.840 0.363 0.000 0.747 230 L CB -1.168 41.136 42.059 0.407 0.000 0.896 230 L HN 0.260 nan 8.230 nan 0.000 0.432 231 Y N 0.221 120.579 120.300 0.096 0.000 2.165 231 Y HA -0.287 4.263 4.550 -0.000 0.000 0.286 231 Y C 2.539 178.297 175.900 -0.237 0.000 1.155 231 Y CA 2.141 60.044 58.100 -0.330 0.000 1.164 231 Y CB -0.248 37.552 38.460 -1.100 0.000 0.978 231 Y HN 0.387 nan 8.280 nan 0.000 0.513 232 Q N -1.060 118.604 119.800 -0.225 0.000 2.170 232 Q HA -0.228 4.112 4.340 -0.000 0.000 0.203 232 Q C 1.914 177.891 176.000 -0.039 0.000 0.976 232 Q CA 1.371 57.007 55.803 -0.277 0.000 0.858 232 Q CB -0.224 28.299 28.738 -0.358 0.000 0.907 232 Q HN 0.636 nan 8.270 nan 0.000 0.433 233 H N 0.417 119.542 119.070 0.091 0.000 2.284 233 H HA -0.036 4.520 4.556 -0.000 0.000 0.304 233 H C 2.269 177.559 175.328 -0.062 0.000 1.069 233 H CA 1.074 57.219 56.048 0.161 0.000 1.327 233 H CB -0.297 29.576 29.762 0.186 0.000 1.387 233 H HN 0.184 nan 8.280 nan 0.000 0.498 234 L N -0.314 120.906 121.223 -0.004 0.000 1.971 234 L HA -0.230 4.110 4.340 -0.000 0.000 0.215 234 L C 2.580 179.363 176.870 -0.145 0.000 1.072 234 L CA 1.595 56.364 54.840 -0.118 0.000 0.758 234 L CB -0.761 41.226 42.059 -0.121 0.000 0.889 234 L HN 0.108 nan 8.230 nan 0.000 0.433 235 F N -0.099 119.535 119.950 -0.527 0.000 2.043 235 F HA -0.284 4.243 4.527 -0.000 0.000 0.297 235 F C 2.176 177.732 175.800 -0.406 0.000 1.121 235 F CA 1.726 59.378 58.000 -0.581 0.000 1.199 235 F CB -0.577 37.834 39.000 -0.981 0.000 0.968 235 F HN -0.029 nan 8.300 nan 0.000 0.478 236 W N -1.072 120.329 121.300 0.169 0.000 2.421 236 W HA -0.200 4.460 4.660 0.000 0.000 0.270 236 W C 2.217 178.724 176.519 -0.020 0.000 1.233 236 W CA 0.603 57.997 57.345 0.083 0.000 1.226 236 W CB -0.584 29.033 29.460 0.263 0.000 1.121 236 W HN 0.114 nan 8.180 nan 0.000 0.579 237 F N -0.296 119.553 119.950 -0.169 0.000 2.234 237 F HA -0.168 4.359 4.527 0.000 0.000 0.299 237 F C 2.075 177.780 175.800 -0.157 0.000 1.087 237 F CA 1.443 59.239 58.000 -0.340 0.000 1.340 237 F CB -0.608 38.099 39.000 -0.490 0.000 1.031 237 F HN -0.027 nan 8.300 nan 0.000 0.500 238 F N -0.052 119.766 119.950 -0.221 0.000 2.317 238 F HA 0.256 4.783 4.527 0.000 0.000 0.290 238 F C 2.245 177.823 175.800 -0.370 0.000 1.075 238 F CA 1.203 59.015 58.000 -0.314 0.000 1.380 238 F CB -1.195 37.599 39.000 -0.344 0.000 1.093 238 F HN -0.125 nan 8.300 nan 0.000 0.524 239 G N -0.286 107.941 108.800 -0.954 0.000 2.503 239 G HA2 -0.391 3.569 3.960 -0.000 0.000 0.221 239 G HA3 -0.391 3.569 3.960 -0.000 0.000 0.221 239 G C 1.474 176.124 174.900 -0.417 0.000 1.131 239 G CA 1.564 46.111 45.100 -0.923 0.000 0.756 239 G HN 0.570 nan 8.290 nan 0.000 0.572 240 H N 1.424 120.408 119.070 -0.142 0.000 2.317 240 H HA 0.050 4.606 4.556 -0.000 0.000 0.304 240 H C 0.171 175.418 175.328 -0.136 0.000 1.067 240 H CA 1.238 57.276 56.048 -0.017 0.000 1.352 240 H CB -0.493 29.359 29.762 0.150 0.000 1.398 240 H HN 0.258 nan 8.280 nan 0.000 0.510 241 P HA -0.160 nan 4.420 nan 0.000 0.217 241 P C 1.113 178.182 177.300 -0.385 0.000 1.148 241 P CA 1.881 64.722 63.100 -0.431 0.000 0.828 241 P CB 0.065 31.303 31.700 -0.769 0.000 0.783 242 E N -0.073 119.760 120.200 -0.612 0.000 2.072 242 E HA -0.150 4.200 4.350 -0.000 0.000 0.191 242 E C 1.730 178.041 176.600 -0.481 0.000 0.985 242 E CA 1.314 57.360 56.400 -0.590 0.000 0.801 242 E CB -1.093 28.036 29.700 -0.952 0.000 0.750 242 E HN 0.100 nan 8.360 nan 0.000 0.452 243 V N -0.995 118.578 119.914 -0.568 0.000 2.594 243 V HA -0.209 3.911 4.120 -0.000 0.000 0.253 243 V C 1.791 177.509 176.094 -0.626 0.000 1.069 243 V CA 1.676 63.616 62.300 -0.600 0.000 1.082 243 V CB -1.092 30.325 31.823 -0.678 0.000 0.680 243 V HN 0.242 nan 8.190 nan 0.000 0.469 244 Y N 0.096 120.204 120.300 -0.319 0.000 2.420 244 Y HA 0.281 4.831 4.550 -0.000 0.000 0.292 244 Y C 2.344 178.122 175.900 -0.205 0.000 1.119 244 Y CA 1.015 58.994 58.100 -0.201 0.000 1.229 244 Y CB -0.325 38.076 38.460 -0.098 0.000 1.026 244 Y HN 0.171 nan 8.280 nan 0.000 0.554 245 I N -0.379 120.120 120.570 -0.119 0.000 2.614 245 I HA -0.263 3.907 4.170 -0.000 0.000 0.258 245 I C 1.648 177.662 176.117 -0.171 0.000 1.189 245 I CA 1.232 62.455 61.300 -0.128 0.000 1.462 245 I CB -0.188 37.721 38.000 -0.153 0.000 1.092 245 I HN 0.256 nan 8.210 nan 0.000 0.442 246 L N -0.557 120.528 121.223 -0.229 0.000 2.341 246 L HA -0.066 4.274 4.340 -0.000 0.000 0.214 246 L C 2.163 178.915 176.870 -0.198 0.000 1.115 246 L CA 0.551 55.256 54.840 -0.225 0.000 0.820 246 L CB 0.049 41.938 42.059 -0.284 0.000 0.944 246 L HN 0.215 nan 8.230 nan 0.000 0.452 247 I N -0.976 119.443 120.570 -0.252 0.000 3.526 247 I HA -0.031 4.139 4.170 -0.000 0.000 0.294 247 I C 1.986 177.820 176.117 -0.472 0.000 1.229 247 I CA 0.818 61.904 61.300 -0.357 0.000 1.408 247 I CB 0.200 37.907 38.000 -0.489 0.000 1.127 247 I HN 0.005 nan 8.210 nan 0.000 0.439 248 L N 1.310 122.355 121.223 -0.296 0.000 1.990 248 L HA -0.164 4.176 4.340 -0.000 0.000 0.213 248 L C -0.377 176.508 176.870 0.026 0.000 1.072 248 L CA 1.817 56.599 54.840 -0.096 0.000 0.755 248 L CB -2.026 40.044 42.059 0.018 0.000 0.889 248 L HN 0.165 nan 8.230 nan 0.000 0.432 249 P HA -0.137 nan 4.420 nan 0.000 0.219 249 P C 1.456 178.857 177.300 0.168 0.000 1.146 249 P CA 1.669 64.794 63.100 0.041 0.000 0.808 249 P CB -0.167 31.538 31.700 0.008 0.000 0.779 250 G N -1.530 107.304 108.800 0.057 0.000 2.403 250 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.216 250 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.216 250 G C 1.228 176.151 174.900 0.038 0.000 1.154 250 G CA 0.200 45.305 45.100 0.008 0.000 0.784 250 G HN 0.094 nan 8.290 nan 0.000 0.538 251 F N 2.049 122.022 119.950 0.039 0.000 2.095 251 F HA -0.001 4.526 4.527 0.000 0.000 0.298 251 F C 2.836 178.779 175.800 0.237 0.000 1.104 251 F CA 0.640 58.746 58.000 0.177 0.000 1.232 251 F CB -1.090 38.057 39.000 0.246 0.000 0.987 251 F HN 0.185 nan 8.300 nan 0.000 0.475 252 G N -0.445 108.625 108.800 0.450 0.000 2.459 252 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.217 252 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.217 252 G C 1.799 176.990 174.900 0.484 0.000 1.183 252 G CA 0.934 46.332 45.100 0.496 0.000 0.776 252 G HN 0.248 nan 8.290 nan 0.000 0.552 253 M N 0.155 119.959 119.600 0.340 0.000 2.108 253 M HA -0.046 4.434 4.480 -0.000 0.000 0.261 253 M C 2.497 178.819 176.300 0.037 0.000 1.066 253 M CA 1.157 56.527 55.300 0.116 0.000 1.107 253 M CB -0.321 32.241 32.600 -0.063 0.000 1.356 253 M HN 0.125 nan 8.290 nan 0.000 0.406 254 I N -0.401 120.082 120.570 -0.144 0.000 2.286 254 I HA -0.240 3.930 4.170 -0.000 0.000 0.248 254 I C 2.405 178.388 176.117 -0.224 0.000 1.115 254 I CA 1.446 62.503 61.300 -0.405 0.000 1.392 254 I CB -1.288 36.106 38.000 -1.010 0.000 1.065 254 I HN 0.256 nan 8.210 nan 0.000 0.418 255 S N -0.178 115.609 115.700 0.146 0.000 2.368 255 S HA -0.209 4.261 4.470 -0.000 0.000 0.225 255 S C 1.922 176.684 174.600 0.270 0.000 1.030 255 S CA 1.306 59.740 58.200 0.390 0.000 0.999 255 S CB -0.387 63.145 63.200 0.552 0.000 0.844 255 S HN 0.497 nan 8.310 nan 0.000 0.459 256 H N 0.874 120.050 119.070 0.178 0.000 2.357 256 H HA 0.117 4.673 4.556 0.000 0.000 0.301 256 H C 1.965 177.270 175.328 -0.039 0.000 1.082 256 H CA 1.253 57.392 56.048 0.150 0.000 1.342 256 H CB -0.292 29.629 29.762 0.264 0.000 1.389 256 H HN 0.317 nan 8.280 nan 0.000 0.511 257 I N -0.821 119.725 120.570 -0.040 0.000 2.202 257 I HA -0.215 3.955 4.170 -0.000 0.000 0.242 257 I C 2.140 178.277 176.117 0.033 0.000 1.091 257 I CA 0.773 61.965 61.300 -0.179 0.000 1.368 257 I CB -0.183 37.651 38.000 -0.278 0.000 1.058 257 I HN 0.077 nan 8.210 nan 0.000 0.410 258 V N 0.598 120.499 119.914 -0.021 0.000 2.407 258 V HA -0.263 3.857 4.120 -0.000 0.000 0.248 258 V C 2.453 178.591 176.094 0.073 0.000 1.055 258 V CA 2.397 64.701 62.300 0.007 0.000 1.049 258 V CB -0.691 31.099 31.823 -0.055 0.000 0.662 258 V HN 0.496 nan 8.190 nan 0.000 0.455 259 T N -1.371 113.241 114.554 0.096 0.000 2.812 259 T HA -0.174 4.176 4.350 -0.000 0.000 0.264 259 T C 1.739 176.465 174.700 0.043 0.000 1.042 259 T CA 1.610 63.762 62.100 0.088 0.000 1.140 259 T CB -0.343 68.584 68.868 0.099 0.000 0.870 259 T HN 0.535 nan 8.240 nan 0.000 0.445 260 Y N 0.977 121.208 120.300 -0.115 0.000 2.165 260 Y HA -0.183 4.367 4.550 0.000 0.000 0.286 260 Y C 1.415 177.063 175.900 -0.420 0.000 1.155 260 Y CA 1.217 59.148 58.100 -0.282 0.000 1.164 260 Y CB -0.334 37.870 38.460 -0.426 0.000 0.978 260 Y HN 0.268 nan 8.280 nan 0.000 0.513 261 Y N -1.185 119.110 120.300 -0.008 0.000 2.462 261 Y HA 0.121 4.671 4.550 -0.000 0.000 0.293 261 Y C 1.779 177.575 175.900 -0.173 0.000 1.195 261 Y CA 0.489 58.518 58.100 -0.118 0.000 1.276 261 Y CB 0.108 38.508 38.460 -0.099 0.000 1.082 261 Y HN 0.006 nan 8.280 nan 0.000 0.514 262 S N -1.167 114.495 115.700 -0.063 0.000 2.559 262 S HA 0.238 4.708 4.470 -0.000 0.000 0.226 262 S C 1.556 176.096 174.600 -0.100 0.000 1.000 262 S CA 0.392 58.552 58.200 -0.067 0.000 0.948 262 S CB 0.434 63.623 63.200 -0.019 0.000 0.870 262 S HN 0.590 nan 8.310 nan 0.000 0.497 263 G N 2.715 111.407 108.800 -0.179 0.000 2.249 263 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.273 263 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.273 263 G C -0.162 174.662 174.900 -0.126 0.000 1.036 263 G CA 0.154 45.130 45.100 -0.205 0.000 0.824 263 G HN 0.288 nan 8.290 nan 0.000 0.504 264 K N -0.374 119.975 120.400 -0.084 0.000 2.095 264 K HA 0.389 4.709 4.320 -0.000 0.000 0.252 264 K C 1.418 178.007 176.600 -0.018 0.000 0.977 264 K CA -0.215 56.057 56.287 -0.025 0.000 0.900 264 K CB 1.357 33.874 32.500 0.028 0.000 1.060 264 K HN 0.427 nan 8.250 nan 0.000 0.449 265 K N -0.331 120.071 120.400 0.003 0.000 2.361 265 K HA -0.020 4.300 4.320 -0.000 0.000 0.196 265 K C 0.007 176.630 176.600 0.038 0.000 1.039 265 K CA 0.612 56.908 56.287 0.014 0.000 1.001 265 K CB 0.211 32.716 32.500 0.009 0.000 0.795 265 K HN 0.670 nan 8.250 nan 0.000 0.495 266 E N 0.110 120.342 120.200 0.053 0.000 2.401 266 E HA 0.308 4.658 4.350 -0.000 0.000 0.280 266 E C -3.027 173.647 176.600 0.122 0.000 1.039 266 E CA -2.391 54.056 56.400 0.078 0.000 0.814 266 E CB 1.317 31.049 29.700 0.053 0.000 1.275 266 E HN -0.158 nan 8.360 nan 0.000 0.448 267 P HA 0.085 nan 4.420 nan 0.000 0.274 267 P C -0.590 176.857 177.300 0.245 0.000 1.231 267 P CA -0.394 62.842 63.100 0.227 0.000 0.790 267 P CB 0.530 32.381 31.700 0.252 0.000 0.951 268 F N 1.755 121.782 119.950 0.129 0.000 2.553 268 F HA 0.315 4.842 4.527 -0.000 0.000 0.356 268 F C 1.458 177.314 175.800 0.092 0.000 1.142 268 F CA 1.352 59.415 58.000 0.105 0.000 1.322 268 F CB -0.137 38.924 39.000 0.102 0.000 1.126 268 F HN 0.697 nan 8.300 nan 0.000 0.599 269 G N 5.911 114.353 108.800 -0.597 0.000 2.395 269 G HA2 -0.397 3.563 3.960 -0.000 0.000 0.292 269 G HA3 -0.397 3.563 3.960 -0.000 0.000 0.292 269 G C 0.354 175.238 174.900 -0.026 0.000 0.953 269 G CA 0.790 45.693 45.100 -0.328 0.000 1.207 269 G HN 1.080 nan 8.290 nan 0.000 0.503 270 Y N 0.626 120.874 120.300 -0.087 0.000 2.081 270 Y HA -0.230 4.320 4.550 -0.000 0.000 0.280 270 Y C 2.591 178.476 175.900 -0.024 0.000 1.163 270 Y CA 2.567 60.662 58.100 -0.008 0.000 1.135 270 Y CB -0.091 38.388 38.460 0.032 0.000 0.970 270 Y HN 0.400 nan 8.280 nan 0.000 0.498 271 M N -0.127 119.545 119.600 0.120 0.000 2.296 271 M HA -0.067 4.413 4.480 -0.000 0.000 0.265 271 M C 2.311 178.553 176.300 -0.095 0.000 1.064 271 M CA 1.337 56.617 55.300 -0.033 0.000 1.109 271 M CB -1.668 30.954 32.600 0.037 0.000 1.396 271 M HN 0.525 nan 8.290 nan 0.000 0.430 272 G N -0.654 108.109 108.800 -0.062 0.000 2.430 272 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.216 272 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.216 272 G C 1.503 176.441 174.900 0.064 0.000 1.146 272 G CA 0.312 45.418 45.100 0.010 0.000 0.793 272 G HN 0.302 nan 8.290 nan 0.000 0.537 273 M N 0.300 119.851 119.600 -0.082 0.000 2.229 273 M HA 0.109 4.589 4.480 -0.000 0.000 0.264 273 M C 2.384 178.529 176.300 -0.259 0.000 1.063 273 M CA 0.802 56.003 55.300 -0.165 0.000 1.114 273 M CB 0.020 32.517 32.600 -0.171 0.000 1.387 273 M HN 0.043 nan 8.290 nan 0.000 0.420 274 V N -1.549 118.128 119.914 -0.396 0.000 2.346 274 V HA -0.237 3.883 4.120 -0.000 0.000 0.244 274 V C 1.900 177.786 176.094 -0.348 0.000 1.037 274 V CA 1.750 63.678 62.300 -0.620 0.000 1.029 274 V CB -0.899 30.359 31.823 -0.942 0.000 0.663 274 V HN 0.776 nan 8.190 nan 0.000 0.454 275 W N 1.359 122.462 121.300 -0.328 0.000 2.338 275 W HA -0.230 4.430 4.660 0.000 0.000 0.304 275 W C 2.394 178.825 176.519 -0.146 0.000 1.212 275 W CA 2.292 59.517 57.345 -0.201 0.000 1.264 275 W CB -0.413 28.959 29.460 -0.148 0.000 1.142 275 W HN 0.193 nan 8.180 nan 0.000 0.512 276 A N 0.734 123.490 122.820 -0.107 0.000 1.865 276 A HA -0.270 4.050 4.320 -0.000 0.000 0.217 276 A C 2.075 179.458 177.584 -0.334 0.000 1.191 276 A CA 2.546 54.377 52.037 -0.342 0.000 0.623 276 A CB -1.046 17.878 19.000 -0.126 0.000 0.826 276 A HN 0.434 nan 8.150 nan 0.000 0.444 277 M N -1.689 117.785 119.600 -0.211 0.000 2.117 277 M HA -0.147 4.333 4.480 -0.000 0.000 0.262 277 M C 2.502 178.729 176.300 -0.121 0.000 1.065 277 M CA 1.835 57.081 55.300 -0.091 0.000 1.114 277 M CB -0.455 32.128 32.600 -0.028 0.000 1.361 277 M HN 0.438 nan 8.290 nan 0.000 0.408 278 M N -0.353 119.127 119.600 -0.200 0.000 2.159 278 M HA -0.185 4.295 4.480 -0.000 0.000 0.263 278 M C 2.291 178.503 176.300 -0.147 0.000 1.063 278 M CA 1.477 56.692 55.300 -0.141 0.000 1.110 278 M CB -0.103 32.405 32.600 -0.155 0.000 1.374 278 M HN 0.212 nan 8.290 nan 0.000 0.411 279 S N 0.610 116.090 115.700 -0.366 0.000 2.338 279 S HA -0.091 4.379 4.470 -0.000 0.000 0.218 279 S C 1.709 176.203 174.600 -0.176 0.000 1.032 279 S CA 1.243 59.235 58.200 -0.346 0.000 0.999 279 S CB -0.380 62.334 63.200 -0.811 0.000 0.905 279 S HN 0.411 nan 8.310 nan 0.000 0.439 280 I N 1.457 121.898 120.570 -0.215 0.000 2.236 280 I HA -0.228 3.942 4.170 -0.000 0.000 0.249 280 I C 2.564 178.564 176.117 -0.194 0.000 1.102 280 I CA 1.276 62.462 61.300 -0.191 0.000 1.365 280 I CB -0.847 37.116 38.000 -0.062 0.000 1.051 280 I HN 0.382 nan 8.210 nan 0.000 0.420 281 G N 0.468 109.240 108.800 -0.047 0.000 2.402 281 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.216 281 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.216 281 G C 1.533 176.555 174.900 0.203 0.000 1.162 281 G CA 0.425 45.565 45.100 0.067 0.000 0.777 281 G HN 0.339 nan 8.290 nan 0.000 0.539 282 F N 1.279 121.253 119.950 0.040 0.000 2.113 282 F HA 0.142 4.669 4.527 -0.000 0.000 0.297 282 F C 2.381 178.248 175.800 0.111 0.000 1.103 282 F CA 0.919 58.974 58.000 0.092 0.000 1.248 282 F CB -0.432 38.569 39.000 0.002 0.000 0.999 282 F HN 0.026 nan 8.300 nan 0.000 0.475 283 L N 0.145 121.158 121.223 -0.350 0.000 2.131 283 L HA -0.124 4.216 4.340 -0.000 0.000 0.210 283 L C 2.562 179.246 176.870 -0.309 0.000 1.092 283 L CA 1.198 55.788 54.840 -0.417 0.000 0.759 283 L CB -1.473 40.436 42.059 -0.251 0.000 0.903 283 L HN 0.357 nan 8.230 nan 0.000 0.435 284 G N -1.243 107.379 108.800 -0.297 0.000 2.653 284 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.212 284 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.212 284 G C 1.013 175.782 174.900 -0.219 0.000 1.138 284 G CA 0.180 45.107 45.100 -0.288 0.000 0.782 284 G HN 0.297 nan 8.290 nan 0.000 0.535 285 F N -0.311 119.548 119.950 -0.150 0.000 2.678 285 F HA 0.329 4.856 4.527 -0.000 0.000 0.305 285 F C 1.513 177.370 175.800 0.094 0.000 1.090 285 F CA -0.396 57.533 58.000 -0.118 0.000 1.272 285 F CB 0.626 39.549 39.000 -0.128 0.000 1.060 285 F HN 0.210 nan 8.300 nan 0.000 0.576 286 I N -1.997 118.700 120.570 0.211 0.000 3.491 286 I HA 0.282 4.452 4.170 -0.000 0.000 0.332 286 I C 0.199 176.462 176.117 0.244 0.000 1.565 286 I CA -0.099 61.403 61.300 0.337 0.000 1.050 286 I CB 0.246 38.314 38.000 0.114 0.000 1.348 286 I HN -0.107 nan 8.210 nan 0.000 0.506 287 V N -3.582 116.480 119.914 0.246 0.000 3.382 287 V HA 0.188 4.308 4.120 -0.000 0.000 0.296 287 V C 1.819 177.804 176.094 -0.182 0.000 1.529 287 V CA 0.095 62.431 62.300 0.060 0.000 1.048 287 V CB -0.832 30.845 31.823 -0.242 0.000 0.878 287 V HN 0.714 nan 8.190 nan 0.000 0.442 288 W N 2.858 124.127 121.300 -0.053 0.000 2.274 288 W HA -0.252 4.408 4.660 -0.000 0.000 0.314 288 W C 1.885 178.201 176.519 -0.338 0.000 1.254 288 W CA 2.499 59.794 57.345 -0.085 0.000 1.265 288 W CB -1.136 28.450 29.460 0.210 0.000 1.141 288 W HN 0.261 nan 8.180 nan 0.000 0.505 289 A N 1.613 123.617 122.820 -1.360 0.000 2.225 289 A HA -0.204 4.116 4.320 -0.000 0.000 0.215 289 A C 1.814 178.714 177.584 -1.141 0.000 1.164 289 A CA 1.354 52.571 52.037 -1.366 0.000 0.710 289 A CB -1.835 15.794 19.000 -2.284 0.000 0.780 289 A HN 0.831 nan 8.150 nan 0.000 0.473 290 H N -3.206 115.236 119.070 -1.048 0.000 2.561 290 H HA -0.015 4.541 4.556 -0.000 0.000 0.278 290 H C 0.837 175.245 175.328 -1.533 0.000 1.014 290 H CA 0.886 55.887 56.048 -1.745 0.000 1.211 290 H CB -0.357 28.864 29.762 -0.903 0.000 1.365 290 H HN 0.646 nan 8.280 nan 0.000 0.594 291 H N 0.464 119.118 119.070 -0.694 0.000 2.533 291 H HA 0.222 4.778 4.556 -0.000 0.000 0.271 291 H C 0.339 175.321 175.328 -0.577 0.000 1.000 291 H CA 0.333 55.922 56.048 -0.765 0.000 1.149 291 H CB 0.408 29.225 29.762 -1.574 0.000 1.375 291 H HN 0.482 nan 8.280 nan 0.000 0.582 292 M N -0.353 118.932 119.600 -0.526 0.000 3.859 292 M HA 0.088 4.568 4.480 -0.000 0.000 0.494 292 M C -0.140 176.042 176.300 -0.196 0.000 1.804 292 M CA -0.154 54.967 55.300 -0.297 0.000 0.670 292 M CB 0.570 33.044 32.600 -0.210 0.000 1.466 292 M HN -0.093 nan 8.290 nan 0.000 0.548 293 F N 0.586 120.370 119.950 -0.277 0.000 2.661 293 F HA 0.038 4.565 4.527 -0.000 0.000 0.298 293 F C 2.251 177.934 175.800 -0.196 0.000 1.137 293 F CA 0.983 58.857 58.000 -0.211 0.000 1.454 293 F CB -0.380 38.514 39.000 -0.177 0.000 1.103 293 F HN 0.245 nan 8.300 nan 0.000 0.577 294 T N -4.255 110.230 114.554 -0.115 0.000 3.266 294 T HA 0.287 4.637 4.350 -0.000 0.000 0.278 294 T C 1.058 175.727 174.700 -0.051 0.000 1.010 294 T CA 0.177 62.222 62.100 -0.092 0.000 0.909 294 T CB -0.140 68.640 68.868 -0.145 0.000 1.122 294 T HN -0.037 nan 8.240 nan 0.000 0.536 295 V N 0.503 120.398 119.914 -0.032 0.000 3.644 295 V HA 0.528 4.648 4.120 -0.000 0.000 0.267 295 V C 1.734 177.841 176.094 0.022 0.000 1.277 295 V CA 1.059 63.355 62.300 -0.007 0.000 1.096 295 V CB 0.286 32.089 31.823 -0.035 0.000 0.828 295 V HN 0.881 nan 8.190 nan 0.000 0.446 296 G N -0.015 108.803 108.800 0.031 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 0.047 174.981 174.900 0.058 0.000 1.012 296 G CA -0.035 45.091 45.100 0.043 0.000 0.677 296 G HN 0.335 nan 8.290 nan 0.000 0.506 297 M N 1.003 120.644 119.600 0.068 0.000 2.202 297 M HA 0.305 4.785 4.480 -0.000 0.000 0.316 297 M C 0.006 176.352 176.300 0.078 0.000 1.138 297 M CA -0.357 54.998 55.300 0.092 0.000 1.151 297 M CB 0.182 32.855 32.600 0.122 0.000 1.422 297 M HN 0.033 nan 8.290 nan 0.000 0.471 298 D N 1.209 121.661 120.400 0.087 0.000 2.455 298 D HA -0.008 4.632 4.640 -0.000 0.000 0.241 298 D C 0.964 177.301 176.300 0.061 0.000 1.138 298 D CA -0.071 53.969 54.000 0.067 0.000 0.877 298 D CB 1.037 41.878 40.800 0.068 0.000 1.187 298 D HN 0.396 nan 8.370 nan 0.000 0.451 299 V N 2.713 122.647 119.914 0.033 0.000 2.282 299 V HA -0.301 3.819 4.120 -0.000 0.000 0.249 299 V C 1.397 177.506 176.094 0.025 0.000 1.057 299 V CA 2.049 64.356 62.300 0.011 0.000 1.032 299 V CB -0.118 31.701 31.823 -0.007 0.000 0.645 299 V HN 0.466 nan 8.190 nan 0.000 0.447 300 D N -0.346 120.077 120.400 0.038 0.000 2.133 300 D HA -0.177 4.463 4.640 -0.000 0.000 0.195 300 D C 2.264 178.621 176.300 0.095 0.000 0.997 300 D CA 2.144 56.173 54.000 0.049 0.000 0.840 300 D CB -0.436 40.388 40.800 0.040 0.000 0.947 300 D HN 0.682 nan 8.370 nan 0.000 0.452 301 T N -0.908 113.725 114.554 0.132 0.000 2.904 301 T HA -0.066 4.284 4.350 -0.000 0.000 0.267 301 T C 1.987 176.891 174.700 0.339 0.000 1.059 301 T CA 0.711 62.958 62.100 0.245 0.000 1.137 301 T CB 0.098 69.125 68.868 0.264 0.000 0.879 301 T HN -0.036 nan 8.240 nan 0.000 0.467 302 R N 0.277 120.895 120.500 0.196 0.000 2.148 302 R HA 0.230 4.570 4.340 -0.000 0.000 0.227 302 R C 2.741 179.035 176.300 -0.010 0.000 1.103 302 R CA 1.120 57.289 56.100 0.115 0.000 0.983 302 R CB -0.410 29.853 30.300 -0.062 0.000 0.874 302 R HN 0.553 nan 8.270 nan 0.000 0.451 303 A N -0.156 122.669 122.820 0.008 0.000 1.897 303 A HA -0.183 4.137 4.320 -0.000 0.000 0.215 303 A C 1.892 179.457 177.584 -0.031 0.000 1.181 303 A CA 0.972 52.986 52.037 -0.037 0.000 0.620 303 A CB -0.646 18.345 19.000 -0.015 0.000 0.821 303 A HN 0.482 nan 8.150 nan 0.000 0.443 304 Y N -0.283 119.990 120.300 -0.045 0.000 2.145 304 Y HA -0.221 4.329 4.550 -0.000 0.000 0.286 304 Y C 1.788 177.582 175.900 -0.176 0.000 1.145 304 Y CA 1.829 59.837 58.100 -0.153 0.000 1.148 304 Y CB -0.650 37.652 38.460 -0.263 0.000 0.981 304 Y HN 0.234 nan 8.280 nan 0.000 0.507 305 F N 0.353 120.062 119.950 -0.401 0.000 2.333 305 F HA -0.151 4.376 4.527 -0.000 0.000 0.300 305 F C 2.755 178.471 175.800 -0.139 0.000 1.083 305 F CA 1.812 59.593 58.000 -0.365 0.000 1.395 305 F CB -0.797 38.179 39.000 -0.040 0.000 1.056 305 F HN 0.287 nan 8.300 nan 0.000 0.529 306 T N -3.555 111.036 114.554 0.061 0.000 3.009 306 T HA -0.058 4.292 4.350 -0.000 0.000 0.258 306 T C 2.212 176.873 174.700 -0.064 0.000 1.063 306 T CA 1.305 63.439 62.100 0.058 0.000 1.139 306 T CB -0.436 68.391 68.868 -0.069 0.000 0.890 306 T HN 0.089 nan 8.240 nan 0.000 0.471 307 S N 1.691 117.295 115.700 -0.160 0.000 2.356 307 S HA 0.125 4.595 4.470 -0.000 0.000 0.223 307 S C 2.598 177.082 174.600 -0.193 0.000 1.032 307 S CA 1.139 59.248 58.200 -0.153 0.000 1.005 307 S CB -0.903 62.212 63.200 -0.141 0.000 0.867 307 S HN 0.772 nan 8.310 nan 0.000 0.449 308 A N 1.076 123.660 122.820 -0.392 0.000 1.902 308 A HA -0.113 4.207 4.320 -0.000 0.000 0.217 308 A C 2.259 179.734 177.584 -0.183 0.000 1.181 308 A CA 1.990 53.819 52.037 -0.348 0.000 0.623 308 A CB -1.264 17.342 19.000 -0.656 0.000 0.818 308 A HN 0.462 nan 8.150 nan 0.000 0.443 309 T N -0.206 114.278 114.554 -0.118 0.000 3.007 309 T HA -0.026 4.324 4.350 -0.000 0.000 0.270 309 T C 1.718 176.425 174.700 0.012 0.000 1.107 309 T CA 1.362 63.470 62.100 0.014 0.000 1.118 309 T CB -0.261 68.733 68.868 0.211 0.000 0.889 309 T HN 0.445 nan 8.240 nan 0.000 0.506 310 M N 0.508 120.098 119.600 -0.016 0.000 2.435 310 M HA 0.193 4.673 4.480 -0.000 0.000 0.265 310 M C 2.137 178.443 176.300 0.009 0.000 1.104 310 M CA 0.819 56.120 55.300 0.001 0.000 1.140 310 M CB -0.233 32.362 32.600 -0.007 0.000 1.372 310 M HN 0.311 nan 8.290 nan 0.000 0.456 311 I N -1.913 118.653 120.570 -0.008 0.000 2.756 311 I HA -0.194 3.976 4.170 -0.000 0.000 0.262 311 I C 1.972 178.099 176.117 0.016 0.000 1.225 311 I CA 1.186 62.494 61.300 0.013 0.000 1.472 311 I CB -0.681 37.328 38.000 0.015 0.000 1.094 311 I HN 0.208 nan 8.210 nan 0.000 0.454 312 I N 1.997 122.566 120.570 -0.002 0.000 2.454 312 I HA -0.246 3.924 4.170 -0.000 0.000 0.254 312 I C 2.892 179.044 176.117 0.057 0.000 1.156 312 I CA 1.218 62.518 61.300 0.000 0.000 1.433 312 I CB -0.136 37.866 38.000 0.003 0.000 1.082 312 I HN 0.349 nan 8.210 nan 0.000 0.432 313 A N 0.849 123.712 122.820 0.071 0.000 1.972 313 A HA -0.170 4.150 4.320 -0.000 0.000 0.219 313 A C 2.179 179.820 177.584 0.095 0.000 1.169 313 A CA 1.211 53.302 52.037 0.089 0.000 0.635 313 A CB -0.602 18.442 19.000 0.073 0.000 0.810 313 A HN 0.393 nan 8.150 nan 0.000 0.446 314 I N 0.490 121.119 120.570 0.098 0.000 2.076 314 I HA -0.181 3.989 4.170 -0.000 0.000 0.237 314 I C -0.256 175.955 176.117 0.157 0.000 1.059 314 I CA 1.705 63.092 61.300 0.144 0.000 1.317 314 I CB -1.430 36.671 38.000 0.169 0.000 1.037 314 I HN 0.227 nan 8.210 nan 0.000 0.398 315 P HA -0.156 nan 4.420 nan 0.000 0.215 315 P C 1.635 178.921 177.300 -0.024 0.000 1.153 315 P CA 1.884 64.966 63.100 -0.030 0.000 0.853 315 P CB -0.358 31.120 31.700 -0.371 0.000 0.788 316 T N -0.229 114.330 114.554 0.008 0.000 2.720 316 T HA -0.117 4.233 4.350 -0.000 0.000 0.268 316 T C 2.139 176.807 174.700 -0.053 0.000 1.037 316 T CA 1.898 64.014 62.100 0.027 0.000 1.144 316 T CB -1.241 67.766 68.868 0.231 0.000 0.864 316 T HN 0.237 nan 8.240 nan 0.000 0.444 317 G N 1.557 110.359 108.800 0.004 0.000 2.440 317 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.218 317 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.218 317 G C 1.820 176.682 174.900 -0.064 0.000 1.154 317 G CA 1.192 46.256 45.100 -0.061 0.000 0.767 317 G HN 0.573 nan 8.290 nan 0.000 0.552 318 V N -0.809 119.145 119.914 0.067 0.000 2.720 318 V HA -0.018 4.102 4.120 -0.000 0.000 0.256 318 V C 2.316 178.341 176.094 -0.115 0.000 1.082 318 V CA 2.309 64.669 62.300 0.100 0.000 1.101 318 V CB -0.399 31.546 31.823 0.203 0.000 0.693 318 V HN 0.383 nan 8.190 nan 0.000 0.479 319 K N 0.292 120.470 120.400 -0.370 0.000 2.044 319 K HA 0.074 4.394 4.320 -0.000 0.000 0.204 319 K C 2.238 178.235 176.600 -1.005 0.000 1.049 319 K CA 1.282 57.051 56.287 -0.863 0.000 0.945 319 K CB -0.410 31.370 32.500 -1.199 0.000 0.724 319 K HN 0.425 nan 8.250 nan 0.000 0.440 320 V N 1.325 120.867 119.914 -0.620 0.000 2.287 320 V HA -0.242 3.878 4.120 -0.000 0.000 0.248 320 V C 2.040 178.019 176.094 -0.192 0.000 1.053 320 V CA 1.830 63.979 62.300 -0.252 0.000 1.027 320 V CB -0.524 31.150 31.823 -0.247 0.000 0.646 320 V HN 0.146 nan 8.190 nan 0.000 0.447 321 F N 0.010 119.948 119.950 -0.020 0.000 2.325 321 F HA -0.042 4.485 4.527 0.000 0.000 0.299 321 F C 2.617 178.363 175.800 -0.090 0.000 1.090 321 F CA 1.136 59.119 58.000 -0.027 0.000 1.392 321 F CB -1.020 37.960 39.000 -0.035 0.000 1.053 321 F HN 0.024 nan 8.300 nan 0.000 0.521 322 S N -1.044 114.666 115.700 0.016 0.000 2.368 322 S HA -0.152 4.318 4.470 -0.000 0.000 0.224 322 S C 1.886 176.548 174.600 0.102 0.000 1.029 322 S CA 0.837 59.059 58.200 0.037 0.000 0.988 322 S CB -0.330 62.890 63.200 0.034 0.000 0.838 322 S HN 0.389 nan 8.310 nan 0.000 0.462 323 W N 1.159 122.506 121.300 0.078 0.000 2.363 323 W HA 0.025 4.685 4.660 -0.000 0.000 0.296 323 W C 1.754 178.309 176.519 0.060 0.000 1.212 323 W CA 0.228 57.616 57.345 0.071 0.000 1.260 323 W CB -1.148 28.349 29.460 0.062 0.000 1.131 323 W HN 0.300 nan 8.180 nan 0.000 0.530 324 L N 0.548 121.942 121.223 0.284 0.000 2.056 324 L HA -0.102 4.238 4.340 -0.000 0.000 0.207 324 L C 2.673 179.584 176.870 0.068 0.000 1.078 324 L CA 2.201 57.148 54.840 0.179 0.000 0.749 324 L CB -1.815 40.362 42.059 0.196 0.000 0.901 324 L HN -0.088 nan 8.230 nan 0.000 0.433 325 A N -1.507 121.273 122.820 -0.066 0.000 1.972 325 A HA -0.203 4.117 4.320 -0.000 0.000 0.219 325 A C 2.329 179.913 177.584 0.001 0.000 1.169 325 A CA 2.176 54.050 52.037 -0.271 0.000 0.635 325 A CB -0.923 17.419 19.000 -1.096 0.000 0.810 325 A HN 0.446 nan 8.150 nan 0.000 0.446 326 T N 0.391 115.023 114.554 0.130 0.000 2.867 326 T HA -0.044 4.306 4.350 -0.000 0.000 0.268 326 T C 1.682 176.470 174.700 0.147 0.000 1.057 326 T CA 1.390 63.614 62.100 0.207 0.000 1.136 326 T CB -0.316 68.707 68.868 0.257 0.000 0.874 326 T HN 0.407 nan 8.240 nan 0.000 0.466 327 L N -0.002 121.298 121.223 0.128 0.000 2.217 327 L HA 0.066 4.406 4.340 -0.000 0.000 0.211 327 L C 1.218 178.154 176.870 0.110 0.000 1.107 327 L CA 0.227 55.116 54.840 0.082 0.000 0.783 327 L CB -0.675 41.420 42.059 0.061 0.000 0.919 327 L HN 0.261 nan 8.230 nan 0.000 0.442 328 H N 1.370 120.448 119.070 0.014 0.000 3.237 328 H HA 0.130 4.686 4.556 -0.000 0.000 0.270 328 H C 1.175 176.513 175.328 0.016 0.000 0.900 328 H CA 0.196 56.247 56.048 0.006 0.000 1.415 328 H CB -0.055 29.697 29.762 -0.017 0.000 1.484 328 H HN 0.313 nan 8.280 nan 0.000 0.540 329 G N 3.229 111.908 108.800 -0.202 0.000 2.153 329 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.252 329 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.252 329 G C 0.692 175.531 174.900 -0.102 0.000 0.994 329 G CA 0.446 45.404 45.100 -0.238 0.000 0.698 329 G HN 1.015 nan 8.290 nan 0.000 0.521 330 G N -0.652 108.120 108.800 -0.048 0.000 2.528 330 G HA2 0.459 4.419 3.960 -0.000 0.000 0.289 330 G HA3 0.459 4.419 3.960 -0.000 0.000 0.289 330 G C 0.026 174.897 174.900 -0.048 0.000 1.192 330 G CA -0.009 45.067 45.100 -0.041 0.000 0.921 330 G HN 0.561 nan 8.290 nan 0.000 0.512 331 N N 0.199 118.863 118.700 -0.059 0.000 2.767 331 N HA 0.180 4.920 4.740 -0.000 0.000 0.238 331 N C -0.265 175.203 175.510 -0.069 0.000 1.083 331 N CA -0.564 52.453 53.050 -0.054 0.000 0.964 331 N CB -0.101 38.349 38.487 -0.062 0.000 1.252 331 N HN 0.223 nan 8.380 nan 0.000 0.512 332 I N 2.141 122.664 120.570 -0.079 0.000 2.662 332 I HA -0.008 4.162 4.170 -0.000 0.000 0.285 332 I C 0.873 176.899 176.117 -0.151 0.000 1.161 332 I CA 0.398 61.595 61.300 -0.171 0.000 1.415 332 I CB 0.340 38.145 38.000 -0.326 0.000 1.385 332 I HN 0.162 nan 8.210 nan 0.000 0.552 333 K N 7.030 127.363 120.400 -0.113 0.000 2.292 333 K HA 0.153 4.473 4.320 -0.000 0.000 0.270 333 K C -0.896 175.654 176.600 -0.083 0.000 1.062 333 K CA -0.590 55.703 56.287 0.010 0.000 0.916 333 K CB 0.360 32.956 32.500 0.160 0.000 1.166 333 K HN 0.449 nan 8.250 nan 0.000 0.458 334 W N 3.603 124.881 121.300 -0.036 0.000 1.216 334 W HA -0.025 4.635 4.660 -0.000 0.000 0.512 334 W C 0.740 177.172 176.519 -0.146 0.000 0.575 334 W CA -0.211 57.070 57.345 -0.106 0.000 2.574 334 W CB -0.438 28.964 29.460 -0.097 0.000 1.070 334 W HN 0.328 nan 8.180 nan 0.000 0.266 335 S N -0.536 115.112 115.700 -0.086 0.000 2.632 335 S HA 0.334 4.804 4.470 -0.000 0.000 0.271 335 S C -1.463 172.999 174.600 -0.229 0.000 1.260 335 S CA -1.347 56.766 58.200 -0.145 0.000 1.010 335 S CB 1.712 64.754 63.200 -0.263 0.000 0.965 335 S HN -0.055 nan 8.310 nan 0.000 0.534 336 P HA -0.247 nan 4.420 nan 0.000 0.219 336 P C 1.628 178.858 177.300 -0.117 0.000 1.161 336 P CA 2.529 65.572 63.100 -0.095 0.000 0.909 336 P CB -0.260 31.493 31.700 0.087 0.000 0.793 337 A N -1.656 121.111 122.820 -0.089 0.000 1.972 337 A HA -0.214 4.106 4.320 -0.000 0.000 0.219 337 A C 2.166 179.591 177.584 -0.265 0.000 1.169 337 A CA 2.053 54.052 52.037 -0.065 0.000 0.635 337 A CB -1.355 17.549 19.000 -0.160 0.000 0.810 337 A HN 0.141 nan 8.150 nan 0.000 0.446 338 M N -0.522 118.770 119.600 -0.514 0.000 2.296 338 M HA 0.003 4.483 4.480 -0.000 0.000 0.265 338 M C 1.910 177.982 176.300 -0.381 0.000 1.064 338 M CA 1.543 56.565 55.300 -0.463 0.000 1.109 338 M CB -0.649 31.619 32.600 -0.554 0.000 1.396 338 M HN 0.449 nan 8.290 nan 0.000 0.430 339 M N -2.283 117.026 119.600 -0.486 0.000 2.156 339 M HA -0.160 4.320 4.480 -0.000 0.000 0.264 339 M C 1.949 177.776 176.300 -0.789 0.000 1.067 339 M CA 1.700 56.505 55.300 -0.824 0.000 1.131 339 M CB -0.775 30.972 32.600 -1.420 0.000 1.368 339 M HN 0.332 nan 8.290 nan 0.000 0.416 340 W N 0.749 121.755 121.300 -0.489 0.000 2.363 340 W HA -0.138 4.522 4.660 0.000 0.000 0.296 340 W C 2.777 179.325 176.519 0.048 0.000 1.212 340 W CA 1.112 58.356 57.345 -0.170 0.000 1.260 340 W CB -0.426 28.961 29.460 -0.122 0.000 1.131 340 W HN 0.240 nan 8.180 nan 0.000 0.530 341 A N 0.071 122.959 122.820 0.115 0.000 1.898 341 A HA -0.153 4.167 4.320 -0.000 0.000 0.216 341 A C 1.926 179.572 177.584 0.103 0.000 1.181 341 A CA 1.381 53.429 52.037 0.020 0.000 0.620 341 A CB -0.973 17.945 19.000 -0.136 0.000 0.819 341 A HN 0.292 nan 8.150 nan 0.000 0.442 342 L N -0.780 120.475 121.223 0.053 0.000 2.093 342 L HA -0.083 4.257 4.340 -0.000 0.000 0.208 342 L C 2.820 179.893 176.870 0.339 0.000 1.085 342 L CA 0.929 55.845 54.840 0.127 0.000 0.755 342 L CB -0.825 41.248 42.059 0.023 0.000 0.904 342 L HN 0.494 nan 8.230 nan 0.000 0.435 343 G N 0.032 109.116 108.800 0.472 0.000 2.453 343 G HA2 -0.341 3.619 3.960 -0.000 0.000 0.215 343 G HA3 -0.341 3.619 3.960 -0.000 0.000 0.215 343 G C 1.462 176.798 174.900 0.728 0.000 1.201 343 G CA 0.743 46.338 45.100 0.825 0.000 0.784 343 G HN 0.277 nan 8.290 nan 0.000 0.545 344 F N 1.761 122.063 119.950 0.587 0.000 2.063 344 F HA -0.188 4.339 4.527 -0.000 0.000 0.298 344 F C 2.549 178.513 175.800 0.273 0.000 1.109 344 F CA 1.794 59.998 58.000 0.340 0.000 1.212 344 F CB -0.386 38.755 39.000 0.235 0.000 0.973 344 F HN 0.130 nan 8.300 nan 0.000 0.480 345 I N -0.938 119.981 120.570 0.581 0.000 2.248 345 I HA -0.335 3.835 4.170 -0.000 0.000 0.248 345 I C 2.288 178.658 176.117 0.422 0.000 1.107 345 I CA 1.738 63.320 61.300 0.471 0.000 1.373 345 I CB -0.631 37.585 38.000 0.360 0.000 1.055 345 I HN 0.269 nan 8.210 nan 0.000 0.418 346 F N 0.671 120.774 119.950 0.254 0.000 2.220 346 F HA -0.012 4.515 4.527 0.000 0.000 0.290 346 F C 2.037 177.927 175.800 0.150 0.000 1.080 346 F CA 1.032 59.153 58.000 0.202 0.000 1.318 346 F CB -0.156 38.972 39.000 0.214 0.000 1.063 346 F HN -0.192 nan 8.300 nan 0.000 0.498 347 L N -0.089 121.130 121.223 -0.007 0.000 2.046 347 L HA -0.179 4.161 4.340 -0.000 0.000 0.208 347 L C 2.351 179.107 176.870 -0.189 0.000 1.077 347 L CA 1.713 56.461 54.840 -0.153 0.000 0.747 347 L CB -1.943 40.004 42.059 -0.187 0.000 0.896 347 L HN 0.306 nan 8.230 nan 0.000 0.432 348 F N 0.272 119.998 119.950 -0.373 0.000 2.171 348 F HA -0.227 4.300 4.527 -0.000 0.000 0.300 348 F C 2.338 178.008 175.800 -0.217 0.000 1.090 348 F CA 1.829 59.578 58.000 -0.419 0.000 1.293 348 F CB -0.469 38.041 39.000 -0.817 0.000 1.013 348 F HN 0.039 nan 8.300 nan 0.000 0.486 349 T N 0.413 114.871 114.554 -0.160 0.000 2.652 349 T HA -0.191 4.159 4.350 -0.000 0.000 0.267 349 T C 2.171 176.659 174.700 -0.354 0.000 1.039 349 T CA 1.841 63.819 62.100 -0.204 0.000 1.153 349 T CB -0.772 68.075 68.868 -0.036 0.000 0.863 349 T HN 0.149 nan 8.240 nan 0.000 0.428 350 V N 1.377 121.028 119.914 -0.439 0.000 2.252 350 V HA -0.182 3.938 4.120 -0.000 0.000 0.249 350 V C 2.854 178.714 176.094 -0.390 0.000 1.056 350 V CA 2.177 64.218 62.300 -0.431 0.000 1.022 350 V CB -1.320 30.189 31.823 -0.524 0.000 0.641 350 V HN 0.643 nan 8.190 nan 0.000 0.445 351 G N -0.744 107.822 108.800 -0.390 0.000 2.448 351 G HA2 -0.109 3.851 3.960 -0.000 0.000 0.219 351 G HA3 -0.109 3.851 3.960 -0.000 0.000 0.219 351 G C 1.477 176.183 174.900 -0.324 0.000 1.127 351 G CA 0.895 45.779 45.100 -0.360 0.000 0.766 351 G HN 0.624 nan 8.290 nan 0.000 0.552 352 G N 0.104 108.607 108.800 -0.495 0.000 2.539 352 G HA2 0.069 4.029 3.960 -0.000 0.000 0.215 352 G HA3 0.069 4.029 3.960 -0.000 0.000 0.215 352 G C 1.535 176.341 174.900 -0.157 0.000 1.141 352 G CA 0.211 45.090 45.100 -0.369 0.000 0.806 352 G HN 0.285 nan 8.290 nan 0.000 0.533 353 L N 0.759 121.878 121.223 -0.173 0.000 2.109 353 L HA 0.108 4.448 4.340 -0.000 0.000 0.207 353 L C 2.860 179.691 176.870 -0.064 0.000 1.086 353 L CA 1.613 56.395 54.840 -0.097 0.000 0.760 353 L CB -0.944 41.050 42.059 -0.108 0.000 0.910 353 L HN 0.144 nan 8.230 nan 0.000 0.437 354 T N -1.307 113.197 114.554 -0.083 0.000 2.915 354 T HA -0.070 4.280 4.350 -0.000 0.000 0.269 354 T C 1.528 176.205 174.700 -0.039 0.000 1.071 354 T CA 1.116 63.192 62.100 -0.040 0.000 1.132 354 T CB -0.215 68.560 68.868 -0.155 0.000 0.878 354 T HN 0.511 nan 8.240 nan 0.000 0.479 355 G N 0.234 108.992 108.800 -0.068 0.000 2.813 355 G HA2 0.034 3.994 3.960 -0.000 0.000 0.209 355 G HA3 0.034 3.994 3.960 -0.000 0.000 0.209 355 G C 1.334 176.111 174.900 -0.205 0.000 1.150 355 G CA -0.052 44.825 45.100 -0.372 0.000 0.785 355 G HN 0.409 nan 8.290 nan 0.000 0.535 356 I N 0.572 121.090 120.570 -0.087 0.000 2.584 356 I HA -0.005 4.165 4.170 -0.000 0.000 0.255 356 I C 2.742 178.834 176.117 -0.043 0.000 1.145 356 I CA 0.530 61.800 61.300 -0.050 0.000 1.462 356 I CB -0.424 37.565 38.000 -0.019 0.000 1.102 356 I HN 0.002 nan 8.210 nan 0.000 0.433 357 V N 1.503 121.404 119.914 -0.022 0.000 2.287 357 V HA -0.273 3.847 4.120 -0.000 0.000 0.248 357 V C 2.527 178.600 176.094 -0.035 0.000 1.053 357 V CA 1.699 63.996 62.300 -0.005 0.000 1.027 357 V CB -0.521 31.351 31.823 0.080 0.000 0.646 357 V HN 0.328 nan 8.190 nan 0.000 0.447 358 L N 0.033 121.224 121.223 -0.053 0.000 2.275 358 L HA -0.066 4.274 4.340 -0.000 0.000 0.215 358 L C 2.621 179.465 176.870 -0.044 0.000 1.119 358 L CA 1.085 55.879 54.840 -0.078 0.000 0.790 358 L CB -0.843 41.099 42.059 -0.195 0.000 0.919 358 L HN 0.346 nan 8.230 nan 0.000 0.443 359 A N -0.135 122.647 122.820 -0.063 0.000 2.019 359 A HA -0.127 4.193 4.320 -0.000 0.000 0.219 359 A C 1.052 178.695 177.584 0.097 0.000 1.164 359 A CA 0.851 52.910 52.037 0.035 0.000 0.644 359 A CB -0.612 18.388 19.000 0.001 0.000 0.805 359 A HN 0.449 nan 8.150 nan 0.000 0.449 360 N N 1.490 120.188 118.700 -0.003 0.000 2.406 360 N HA 0.046 4.786 4.740 -0.000 0.000 0.274 360 N C 1.268 176.685 175.510 -0.155 0.000 1.249 360 N CA 0.700 53.701 53.050 -0.081 0.000 0.951 360 N CB 0.896 39.337 38.487 -0.076 0.000 1.241 360 N HN 0.579 nan 8.380 nan 0.000 0.485 361 S N 1.752 117.180 115.700 -0.453 0.000 2.387 361 S HA -0.252 4.218 4.470 -0.000 0.000 0.230 361 S C 2.121 176.512 174.600 -0.348 0.000 1.035 361 S CA 1.597 59.302 58.200 -0.825 0.000 1.014 361 S CB -0.369 61.971 63.200 -1.433 0.000 0.836 361 S HN 0.614 nan 8.310 nan 0.000 0.466 362 S N 2.612 118.162 115.700 -0.250 0.000 2.351 362 S HA -0.056 4.414 4.470 -0.000 0.000 0.220 362 S C 1.836 176.376 174.600 -0.101 0.000 1.035 362 S CA 1.227 59.338 58.200 -0.148 0.000 1.031 362 S CB -0.999 62.131 63.200 -0.117 0.000 0.928 362 S HN 0.376 nan 8.310 nan 0.000 0.433 363 L N 2.537 123.703 121.223 -0.096 0.000 2.201 363 L HA 0.077 4.417 4.340 -0.000 0.000 0.212 363 L C 1.994 178.829 176.870 -0.058 0.000 1.105 363 L CA 1.835 56.627 54.840 -0.081 0.000 0.775 363 L CB -1.066 40.937 42.059 -0.093 0.000 0.913 363 L HN 0.334 nan 8.230 nan 0.000 0.440 364 D N -1.016 119.367 120.400 -0.029 0.000 2.263 364 D HA -0.196 4.444 4.640 -0.000 0.000 0.208 364 D C 2.167 178.515 176.300 0.080 0.000 0.971 364 D CA 0.653 54.688 54.000 0.059 0.000 0.867 364 D CB 0.088 41.021 40.800 0.222 0.000 0.929 364 D HN 0.217 nan 8.370 nan 0.000 0.492 365 I N 0.551 121.136 120.570 0.025 0.000 2.194 365 I HA -0.202 3.968 4.170 -0.000 0.000 0.246 365 I C 2.459 178.612 176.117 0.060 0.000 1.093 365 I CA 1.106 62.428 61.300 0.036 0.000 1.355 365 I CB -1.162 36.837 38.000 -0.002 0.000 1.046 365 I HN 0.164 nan 8.210 nan 0.000 0.413 366 V N -1.285 118.643 119.914 0.023 0.000 3.590 366 V HA 0.112 4.232 4.120 -0.000 0.000 0.265 366 V C 1.794 177.886 176.094 -0.003 0.000 1.239 366 V CA 0.604 62.913 62.300 0.014 0.000 1.117 366 V CB 0.220 32.038 31.823 -0.008 0.000 0.818 366 V HN 0.283 nan 8.190 nan 0.000 0.451 367 L N -0.069 121.147 121.223 -0.012 0.000 2.463 367 L HA 0.326 4.666 4.340 -0.000 0.000 0.219 367 L C 1.328 178.215 176.870 0.029 0.000 1.088 367 L CA 0.106 54.920 54.840 -0.044 0.000 0.849 367 L CB -0.395 41.575 42.059 -0.148 0.000 1.012 367 L HN 0.479 nan 8.230 nan 0.000 0.468 368 H N 1.166 120.233 119.070 -0.006 0.000 3.038 368 H HA -0.121 4.435 4.556 -0.000 0.000 0.338 368 H C 0.386 175.720 175.328 0.010 0.000 1.041 368 H CA 0.615 56.667 56.048 0.006 0.000 1.394 368 H CB 0.134 29.908 29.762 0.020 0.000 1.357 368 H HN 0.135 nan 8.280 nan 0.000 0.600 369 D N 2.089 121.979 120.400 -0.850 0.000 2.837 369 D HA -0.213 4.427 4.640 -0.000 0.000 0.230 369 D C -0.307 175.827 176.300 -0.276 0.000 1.152 369 D CA 1.418 55.059 54.000 -0.599 0.000 0.736 369 D CB -0.813 39.595 40.800 -0.653 0.000 1.084 369 D HN 0.781 nan 8.370 nan 0.000 0.429 370 T N -4.082 110.370 114.554 -0.170 0.000 2.773 370 T HA 0.430 4.780 4.350 -0.000 0.000 0.278 370 T C 0.953 175.615 174.700 -0.062 0.000 1.011 370 T CA -0.691 61.362 62.100 -0.078 0.000 1.014 370 T CB 0.868 69.731 68.868 -0.007 0.000 1.293 370 T HN -0.079 nan 8.240 nan 0.000 0.554 371 Y N -0.591 119.645 120.300 -0.107 0.000 2.578 371 Y HA 0.138 4.688 4.550 -0.000 0.000 0.297 371 Y C 1.915 177.742 175.900 -0.122 0.000 1.176 371 Y CA 0.219 58.250 58.100 -0.115 0.000 1.315 371 Y CB -0.518 37.848 38.460 -0.156 0.000 1.031 371 Y HN 0.788 nan 8.280 nan 0.000 0.524 372 Y N -0.628 119.622 120.300 -0.083 0.000 2.242 372 Y HA -0.210 4.340 4.550 -0.000 0.000 0.291 372 Y C 2.499 178.296 175.900 -0.172 0.000 1.137 372 Y CA 1.605 59.607 58.100 -0.163 0.000 1.181 372 Y CB -0.344 38.052 38.460 -0.106 0.000 0.989 372 Y HN 0.018 nan 8.280 nan 0.000 0.527 373 V N -1.037 118.903 119.914 0.044 0.000 2.667 373 V HA -0.126 3.994 4.120 -0.000 0.000 0.252 373 V C 1.840 177.900 176.094 -0.056 0.000 1.065 373 V CA 1.800 64.133 62.300 0.056 0.000 1.083 373 V CB -0.643 31.258 31.823 0.129 0.000 0.692 373 V HN 0.243 nan 8.190 nan 0.000 0.468 374 V N 1.050 120.810 119.914 -0.258 0.000 2.515 374 V HA -0.107 4.013 4.120 -0.000 0.000 0.250 374 V C 2.957 178.677 176.094 -0.624 0.000 1.058 374 V CA 1.870 63.776 62.300 -0.657 0.000 1.064 374 V CB -1.240 30.295 31.823 -0.480 0.000 0.675 374 V HN 0.672 nan 8.190 nan 0.000 0.461 375 A N 0.085 122.635 122.820 -0.449 0.000 1.872 375 A HA -0.253 4.067 4.320 -0.000 0.000 0.214 375 A C 2.126 179.423 177.584 -0.478 0.000 1.187 375 A CA 2.029 53.759 52.037 -0.510 0.000 0.614 375 A CB -0.856 17.522 19.000 -1.037 0.000 0.826 375 A HN 0.725 nan 8.150 nan 0.000 0.442 376 H N 0.243 118.971 119.070 -0.569 0.000 2.289 376 H HA -0.241 4.315 4.556 -0.000 0.000 0.296 376 H C 1.599 176.795 175.328 -0.220 0.000 1.091 376 H CA 2.643 58.464 56.048 -0.379 0.000 1.274 376 H CB -0.674 28.931 29.762 -0.261 0.000 1.364 376 H HN 0.605 nan 8.280 nan 0.000 0.490 377 F N -1.531 118.135 119.950 -0.474 0.000 2.661 377 F HA 0.141 4.668 4.527 -0.000 0.000 0.298 377 F C 1.651 177.082 175.800 -0.614 0.000 1.137 377 F CA 0.672 58.296 58.000 -0.626 0.000 1.454 377 F CB -0.726 38.040 39.000 -0.389 0.000 1.103 377 F HN 0.173 nan 8.300 nan 0.000 0.577 378 H N -1.839 116.790 119.070 -0.736 0.000 2.512 378 H HA 0.052 4.608 4.556 -0.000 0.000 0.279 378 H C 1.364 176.259 175.328 -0.723 0.000 0.999 378 H CA 1.472 56.973 56.048 -0.911 0.000 1.283 378 H CB -0.233 28.442 29.762 -1.811 0.000 1.421 378 H HN 0.226 nan 8.280 nan 0.000 0.554 379 Y N 0.176 120.155 120.300 -0.535 0.000 2.133 379 Y HA -0.221 4.329 4.550 -0.000 0.000 0.287 379 Y C 2.602 178.255 175.900 -0.411 0.000 1.134 379 Y CA 1.496 59.345 58.100 -0.419 0.000 1.133 379 Y CB -0.502 37.749 38.460 -0.348 0.000 0.987 379 Y HN 0.153 nan 8.280 nan 0.000 0.502 380 V N -2.101 117.642 119.914 -0.285 0.000 2.548 380 V HA -0.184 3.936 4.120 -0.000 0.000 0.249 380 V C 1.872 177.855 176.094 -0.185 0.000 1.055 380 V CA 1.611 63.770 62.300 -0.234 0.000 1.065 380 V CB -0.867 30.788 31.823 -0.280 0.000 0.681 380 V HN 0.369 nan 8.190 nan 0.000 0.462 381 L N 0.088 121.157 121.223 -0.257 0.000 2.145 381 L HA 0.057 4.397 4.340 -0.000 0.000 0.201 381 L C 2.822 179.589 176.870 -0.173 0.000 1.075 381 L CA 1.573 56.279 54.840 -0.222 0.000 0.773 381 L CB -0.454 41.430 42.059 -0.292 0.000 0.936 381 L HN 0.379 nan 8.230 nan 0.000 0.451 382 S N -0.766 114.791 115.700 -0.239 0.000 2.470 382 S HA 0.081 4.551 4.470 -0.000 0.000 0.225 382 S C 1.526 176.037 174.600 -0.148 0.000 1.006 382 S CA 0.669 58.790 58.200 -0.131 0.000 0.934 382 S CB 0.128 63.232 63.200 -0.159 0.000 0.778 382 S HN 0.276 nan 8.310 nan 0.000 0.517 383 M N -0.031 119.344 119.600 -0.375 0.000 2.502 383 M HA 0.345 4.825 4.480 -0.000 0.000 0.351 383 M C 1.035 177.003 176.300 -0.554 0.000 1.118 383 M CA -0.146 54.671 55.300 -0.805 0.000 0.952 383 M CB 1.467 33.516 32.600 -0.918 0.000 1.424 383 M HN 0.332 nan 8.290 nan 0.000 0.529 384 G N -0.351 108.342 108.800 -0.177 0.000 2.467 384 G HA2 0.311 4.271 3.960 -0.000 0.000 0.178 384 G HA3 0.311 4.271 3.960 -0.000 0.000 0.178 384 G C 1.212 176.319 174.900 0.345 0.000 1.461 384 G CA 0.563 45.651 45.100 -0.019 0.000 0.675 384 G HN 0.260 nan 8.290 nan 0.000 0.659 385 A N 0.355 123.271 122.820 0.160 0.000 1.892 385 A HA 0.045 4.365 4.320 -0.000 0.000 0.218 385 A C 2.530 180.207 177.584 0.155 0.000 1.188 385 A CA 2.348 54.464 52.037 0.131 0.000 0.631 385 A CB -0.849 18.145 19.000 -0.009 0.000 0.822 385 A HN 0.430 nan 8.150 nan 0.000 0.447 386 V N -1.368 118.639 119.914 0.156 0.000 2.358 386 V HA -0.191 3.929 4.120 -0.000 0.000 0.246 386 V C 2.304 178.568 176.094 0.283 0.000 1.047 386 V CA 1.817 64.229 62.300 0.187 0.000 1.035 386 V CB -0.899 31.042 31.823 0.196 0.000 0.658 386 V HN 0.530 nan 8.190 nan 0.000 0.452 387 F N 0.867 120.922 119.950 0.175 0.000 2.171 387 F HA -0.084 4.443 4.527 -0.000 0.000 0.300 387 F C 2.382 178.267 175.800 0.143 0.000 1.090 387 F CA 0.926 59.103 58.000 0.295 0.000 1.293 387 F CB -1.163 38.196 39.000 0.598 0.000 1.013 387 F HN 0.116 nan 8.300 nan 0.000 0.486 388 A N 0.023 123.040 122.820 0.329 0.000 1.930 388 A HA -0.115 4.205 4.320 -0.000 0.000 0.217 388 A C 2.334 179.889 177.584 -0.049 0.000 1.175 388 A CA 1.311 53.367 52.037 0.033 0.000 0.627 388 A CB -0.977 17.984 19.000 -0.065 0.000 0.815 388 A HN 0.342 nan 8.150 nan 0.000 0.443 389 I N -0.525 120.047 120.570 0.003 0.000 2.226 389 I HA -0.273 3.897 4.170 -0.000 0.000 0.245 389 I C 2.576 178.689 176.117 -0.007 0.000 1.100 389 I CA 1.128 62.444 61.300 0.028 0.000 1.374 389 I CB -0.253 37.806 38.000 0.098 0.000 1.057 389 I HN 0.306 nan 8.210 nan 0.000 0.413 390 M N -0.001 119.440 119.600 -0.265 0.000 2.156 390 M HA -0.059 4.421 4.480 -0.000 0.000 0.264 390 M C 2.457 178.466 176.300 -0.486 0.000 1.067 390 M CA 1.767 56.716 55.300 -0.585 0.000 1.131 390 M CB -1.711 29.878 32.600 -1.685 0.000 1.368 390 M HN 0.286 nan 8.290 nan 0.000 0.416 391 G N 0.074 108.627 108.800 -0.411 0.000 2.418 391 G HA2 -0.122 3.838 3.960 -0.000 0.000 0.217 391 G HA3 -0.122 3.838 3.960 -0.000 0.000 0.217 391 G C 1.577 176.453 174.900 -0.040 0.000 1.158 391 G CA 1.060 46.107 45.100 -0.087 0.000 0.771 391 G HN 0.545 nan 8.290 nan 0.000 0.545 392 G N 0.254 109.019 108.800 -0.058 0.000 2.408 392 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.217 392 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.217 392 G C 1.610 176.731 174.900 0.368 0.000 1.150 392 G CA 0.888 45.995 45.100 0.011 0.000 0.776 392 G HN 0.366 nan 8.290 nan 0.000 0.542 393 F N 1.998 122.131 119.950 0.305 0.000 2.113 393 F HA -0.136 4.391 4.527 0.000 0.000 0.297 393 F C 2.747 178.728 175.800 0.302 0.000 1.103 393 F CA 2.007 60.316 58.000 0.515 0.000 1.248 393 F CB -0.384 38.844 39.000 0.380 0.000 0.999 393 F HN 0.064 nan 8.300 nan 0.000 0.475 394 V N -1.479 118.546 119.914 0.186 0.000 2.515 394 V HA -0.234 3.886 4.120 -0.000 0.000 0.250 394 V C 2.348 178.451 176.094 0.016 0.000 1.058 394 V CA 2.349 64.677 62.300 0.046 0.000 1.064 394 V CB -1.538 30.389 31.823 0.173 0.000 0.675 394 V HN 0.552 nan 8.190 nan 0.000 0.461 395 H N -0.973 118.037 119.070 -0.100 0.000 2.363 395 H HA -0.057 4.499 4.556 -0.000 0.000 0.301 395 H C 1.737 176.880 175.328 -0.309 0.000 1.074 395 H CA 2.197 58.095 56.048 -0.251 0.000 1.354 395 H CB -0.061 29.375 29.762 -0.544 0.000 1.397 395 H HN 0.549 nan 8.280 nan 0.000 0.516 396 W N -0.495 120.664 121.300 -0.236 0.000 3.220 396 W HA 0.076 4.736 4.660 0.000 0.000 0.328 396 W C 1.173 177.077 176.519 -1.025 0.000 1.205 396 W CA -0.483 56.411 57.345 -0.752 0.000 1.773 396 W CB -0.629 28.253 29.460 -0.964 0.000 1.086 396 W HN 0.206 nan 8.180 nan 0.000 0.622 397 F N 2.947 122.557 119.950 -0.567 0.000 2.065 397 F HA -0.163 4.364 4.527 -0.000 0.000 0.298 397 F C -0.725 174.827 175.800 -0.413 0.000 1.112 397 F CA 1.831 59.488 58.000 -0.572 0.000 1.212 397 F CB -1.572 37.045 39.000 -0.639 0.000 0.975 397 F HN -0.254 nan 8.300 nan 0.000 0.476 398 P HA -0.197 nan 4.420 nan 0.000 0.217 398 P C 1.849 178.991 177.300 -0.262 0.000 1.148 398 P CA 1.467 64.443 63.100 -0.208 0.000 0.828 398 P CB -0.146 31.578 31.700 0.040 0.000 0.783 399 L N -2.199 118.768 121.223 -0.426 0.000 2.109 399 L HA -0.038 4.302 4.340 -0.000 0.000 0.207 399 L C 1.877 178.410 176.870 -0.561 0.000 1.086 399 L CA 1.853 56.351 54.840 -0.570 0.000 0.760 399 L CB -1.060 40.320 42.059 -1.132 0.000 0.910 399 L HN -0.175 nan 8.230 nan 0.000 0.437 400 F N -0.414 119.086 119.950 -0.750 0.000 2.163 400 F HA -0.036 4.491 4.527 0.000 0.000 0.297 400 F C 2.808 178.347 175.800 -0.435 0.000 1.094 400 F CA 1.023 58.469 58.000 -0.924 0.000 1.290 400 F CB -1.482 36.947 39.000 -0.950 0.000 1.017 400 F HN 0.349 nan 8.300 nan 0.000 0.483 401 S N -1.406 114.054 115.700 -0.401 0.000 2.460 401 S HA 0.407 4.877 4.470 -0.000 0.000 0.226 401 S C 1.913 176.236 174.600 -0.463 0.000 1.057 401 S CA 0.658 58.614 58.200 -0.406 0.000 0.948 401 S CB 0.209 62.942 63.200 -0.778 0.000 0.822 401 S HN 0.527 nan 8.310 nan 0.000 0.512 402 G N -0.218 108.321 108.800 -0.434 0.000 2.195 402 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.224 402 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.224 402 G C -0.226 174.469 174.900 -0.340 0.000 0.990 402 G CA 0.205 45.087 45.100 -0.362 0.000 0.639 402 G HN 0.491 nan 8.290 nan 0.000 0.514 403 Y N 1.267 121.455 120.300 -0.187 0.000 2.496 403 Y HA 0.716 5.266 4.550 -0.000 0.000 0.331 403 Y C 0.951 176.808 175.900 -0.071 0.000 1.140 403 Y CA -0.821 57.205 58.100 -0.124 0.000 1.166 403 Y CB 1.604 39.968 38.460 -0.159 0.000 1.249 403 Y HN 0.318 nan 8.280 nan 0.000 0.479 404 T N -0.090 114.582 114.554 0.197 0.000 2.925 404 T HA 0.772 5.122 4.350 -0.000 0.000 0.285 404 T C -0.527 174.255 174.700 0.137 0.000 1.021 404 T CA -0.866 61.328 62.100 0.157 0.000 1.042 404 T CB 0.834 69.752 68.868 0.083 0.000 1.037 404 T HN 0.461 nan 8.240 nan 0.000 0.481 405 L N 2.192 123.472 121.223 0.094 0.000 2.399 405 L HA 0.428 4.768 4.340 -0.000 0.000 0.265 405 L C 1.003 177.891 176.870 0.031 0.000 1.089 405 L CA -1.153 53.669 54.840 -0.030 0.000 0.802 405 L CB 0.688 42.677 42.059 -0.117 0.000 1.180 405 L HN 0.724 nan 8.230 nan 0.000 0.454 406 N N 1.154 119.890 118.700 0.060 0.000 2.399 406 N HA -0.042 4.698 4.740 -0.000 0.000 0.259 406 N C 0.197 175.805 175.510 0.164 0.000 1.160 406 N CA -0.000 53.136 53.050 0.144 0.000 0.946 406 N CB 0.996 39.663 38.487 0.301 0.000 1.156 406 N HN 0.547 nan 8.380 nan 0.000 0.489 407 D N 2.151 122.615 120.400 0.107 0.000 2.190 407 D HA -0.135 4.505 4.640 -0.000 0.000 0.200 407 D C 1.171 177.534 176.300 0.106 0.000 0.992 407 D CA 1.621 55.679 54.000 0.098 0.000 0.854 407 D CB 0.290 41.127 40.800 0.061 0.000 0.936 407 D HN 0.550 nan 8.370 nan 0.000 0.462 408 T N -1.298 113.299 114.554 0.072 0.000 2.851 408 T HA -0.098 4.252 4.350 -0.000 0.000 0.262 408 T C 1.674 176.430 174.700 0.094 0.000 1.043 408 T CA 0.628 62.732 62.100 0.007 0.000 1.140 408 T CB -0.401 68.386 68.868 -0.135 0.000 0.872 408 T HN 0.339 nan 8.240 nan 0.000 0.446 409 W N 1.422 122.790 121.300 0.114 0.000 2.363 409 W HA 0.020 4.680 4.660 0.000 0.000 0.296 409 W C 2.788 179.422 176.519 0.192 0.000 1.212 409 W CA 0.406 57.849 57.345 0.165 0.000 1.260 409 W CB -0.204 29.361 29.460 0.176 0.000 1.131 409 W HN 0.199 nan 8.180 nan 0.000 0.530 410 A N 0.453 123.520 122.820 0.413 0.000 1.978 410 A HA -0.224 4.096 4.320 -0.000 0.000 0.220 410 A C 1.812 179.618 177.584 0.370 0.000 1.170 410 A CA 1.807 54.066 52.037 0.371 0.000 0.636 410 A CB -0.515 18.643 19.000 0.265 0.000 0.810 410 A HN 0.318 nan 8.150 nan 0.000 0.448 411 K N -0.867 119.683 120.400 0.250 0.000 2.243 411 K HA 0.171 4.491 4.320 -0.000 0.000 0.201 411 K C 1.661 178.386 176.600 0.209 0.000 1.051 411 K CA 0.823 57.213 56.287 0.172 0.000 0.970 411 K CB -0.162 32.383 32.500 0.075 0.000 0.755 411 K HN 0.488 nan 8.250 nan 0.000 0.465 412 I N 0.555 121.276 120.570 0.250 0.000 2.202 412 I HA -0.281 3.889 4.170 -0.000 0.000 0.242 412 I C 2.515 178.801 176.117 0.281 0.000 1.091 412 I CA 1.297 62.742 61.300 0.241 0.000 1.368 412 I CB -0.269 37.921 38.000 0.316 0.000 1.058 412 I HN 0.207 nan 8.210 nan 0.000 0.410 413 H N 0.880 120.121 119.070 0.285 0.000 2.319 413 H HA -0.307 4.249 4.556 -0.000 0.000 0.297 413 H C 1.966 177.434 175.328 0.232 0.000 1.097 413 H CA 2.165 58.386 56.048 0.289 0.000 1.285 413 H CB -0.497 29.484 29.762 0.365 0.000 1.368 413 H HN 0.346 nan 8.280 nan 0.000 0.495 414 F N 0.902 120.772 119.950 -0.134 0.000 2.051 414 F HA -0.122 4.405 4.527 -0.000 0.000 0.296 414 F C 2.614 178.206 175.800 -0.347 0.000 1.122 414 F CA 2.006 59.634 58.000 -0.620 0.000 1.201 414 F CB -1.171 37.298 39.000 -0.884 0.000 0.978 414 F HN 0.261 nan 8.300 nan 0.000 0.472 415 A N 0.901 123.561 122.820 -0.267 0.000 1.948 415 A HA -0.206 4.114 4.320 -0.000 0.000 0.220 415 A C 2.346 179.826 177.584 -0.174 0.000 1.177 415 A CA 2.265 54.146 52.037 -0.260 0.000 0.636 415 A CB -1.337 17.638 19.000 -0.040 0.000 0.815 415 A HN 0.579 nan 8.150 nan 0.000 0.449 416 I N -1.658 118.866 120.570 -0.076 0.000 2.162 416 I HA -0.239 3.931 4.170 -0.000 0.000 0.238 416 I C 2.669 178.768 176.117 -0.030 0.000 1.076 416 I CA 1.904 63.203 61.300 -0.002 0.000 1.353 416 I CB -0.287 37.767 38.000 0.089 0.000 1.063 416 I HN 0.466 nan 8.210 nan 0.000 0.408 417 M N 0.339 119.894 119.600 -0.075 0.000 2.213 417 M HA -0.253 4.227 4.480 -0.000 0.000 0.263 417 M C 2.066 178.355 176.300 -0.019 0.000 1.062 417 M CA 1.815 57.108 55.300 -0.012 0.000 1.105 417 M CB -0.337 32.288 32.600 0.042 0.000 1.385 417 M HN 0.177 nan 8.290 nan 0.000 0.417 418 F N -0.336 119.388 119.950 -0.377 0.000 2.134 418 F HA -0.170 4.357 4.527 0.000 0.000 0.299 418 F C 1.755 177.483 175.800 -0.119 0.000 1.097 418 F CA 1.822 59.636 58.000 -0.310 0.000 1.264 418 F CB -0.439 38.113 39.000 -0.747 0.000 1.001 418 F HN -0.033 nan 8.300 nan 0.000 0.479 419 V N 0.268 120.177 119.914 -0.009 0.000 2.244 419 V HA -0.201 3.919 4.120 -0.000 0.000 0.244 419 V C 2.783 178.838 176.094 -0.065 0.000 1.042 419 V CA 1.896 64.183 62.300 -0.022 0.000 1.006 419 V CB -1.693 30.150 31.823 0.032 0.000 0.641 419 V HN 0.510 nan 8.190 nan 0.000 0.446 420 G N 0.961 109.745 108.800 -0.026 0.000 2.672 420 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.218 420 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.218 420 G C 1.796 176.660 174.900 -0.061 0.000 1.238 420 G CA 2.447 47.537 45.100 -0.017 0.000 0.791 420 G HN 0.657 nan 8.290 nan 0.000 0.606 421 V N -0.651 119.245 119.914 -0.031 0.000 2.392 421 V HA -0.215 3.905 4.120 -0.000 0.000 0.249 421 V C 2.262 178.297 176.094 -0.098 0.000 1.059 421 V CA 2.488 64.787 62.300 -0.003 0.000 1.051 421 V CB -0.677 31.205 31.823 0.099 0.000 0.658 421 V HN 0.339 nan 8.190 nan 0.000 0.455 422 N N 0.004 118.576 118.700 -0.214 0.000 2.188 422 N HA -0.102 4.638 4.740 -0.000 0.000 0.184 422 N C 1.847 177.333 175.510 -0.041 0.000 1.018 422 N CA 2.119 55.048 53.050 -0.202 0.000 0.858 422 N CB -0.198 38.083 38.487 -0.343 0.000 0.989 422 N HN 0.651 nan 8.380 nan 0.000 0.426 423 M N 0.596 120.159 119.600 -0.062 0.000 2.254 423 M HA -0.093 4.387 4.480 -0.000 0.000 0.265 423 M C 1.523 177.778 176.300 -0.075 0.000 1.066 423 M CA 1.170 56.467 55.300 -0.007 0.000 1.123 423 M CB -0.015 32.584 32.600 -0.001 0.000 1.388 423 M HN -0.035 nan 8.290 nan 0.000 0.425 424 T N 0.373 114.781 114.554 -0.243 0.000 2.770 424 T HA -0.053 4.297 4.350 -0.000 0.000 0.263 424 T C 1.130 175.426 174.700 -0.673 0.000 1.039 424 T CA 1.443 63.226 62.100 -0.528 0.000 1.142 424 T CB -0.286 68.040 68.868 -0.904 0.000 0.868 424 T HN 0.363 nan 8.240 nan 0.000 0.435 425 F N -0.234 119.684 119.950 -0.054 0.000 2.619 425 F HA 0.343 4.870 4.527 -0.000 0.000 0.293 425 F C 1.749 177.624 175.800 0.126 0.000 1.119 425 F CA -1.024 56.961 58.000 -0.025 0.000 1.445 425 F CB -0.645 38.316 39.000 -0.065 0.000 1.119 425 F HN 0.026 nan 8.300 nan 0.000 0.573 426 F N 2.440 122.477 119.950 0.146 0.000 2.046 426 F HA -0.090 4.437 4.527 0.000 0.000 0.297 426 F C -0.626 175.061 175.800 -0.189 0.000 1.123 426 F CA 1.154 59.206 58.000 0.086 0.000 1.199 426 F CB -1.860 37.137 39.000 -0.005 0.000 0.972 426 F HN -0.120 nan 8.300 nan 0.000 0.474 427 P HA -0.228 nan 4.420 nan 0.000 0.216 427 P C 1.353 178.352 177.300 -0.502 0.000 1.150 427 P CA 2.210 65.010 63.100 -0.501 0.000 0.843 427 P CB -0.280 31.401 31.700 -0.031 0.000 0.787 428 Q N -1.801 117.820 119.800 -0.297 0.000 2.376 428 Q HA -0.241 4.099 4.340 -0.000 0.000 0.211 428 Q C 1.764 177.570 176.000 -0.322 0.000 0.986 428 Q CA 1.306 56.970 55.803 -0.231 0.000 0.886 428 Q CB -0.792 27.898 28.738 -0.080 0.000 0.927 428 Q HN 0.544 nan 8.270 nan 0.000 0.457 429 H N -0.899 117.821 119.070 -0.583 0.000 2.389 429 H HA -0.094 4.462 4.556 0.000 0.000 0.299 429 H C 1.371 176.542 175.328 -0.261 0.000 1.081 429 H CA 1.380 57.126 56.048 -0.504 0.000 1.345 429 H CB 0.043 29.304 29.762 -0.835 0.000 1.393 429 H HN 0.195 nan 8.280 nan 0.000 0.520 430 F N 0.176 119.974 119.950 -0.254 0.000 2.098 430 F HA -0.092 4.435 4.527 -0.000 0.000 0.294 430 F C 2.255 177.988 175.800 -0.112 0.000 1.107 430 F CA 0.726 58.558 58.000 -0.281 0.000 1.234 430 F CB -1.081 37.464 39.000 -0.758 0.000 1.002 430 F HN 0.056 nan 8.300 nan 0.000 0.472 431 L N -0.194 121.060 121.223 0.051 0.000 2.089 431 L HA -0.237 4.103 4.340 -0.000 0.000 0.213 431 L C 2.604 179.433 176.870 -0.069 0.000 1.079 431 L CA 1.613 56.428 54.840 -0.041 0.000 0.758 431 L CB -1.323 40.597 42.059 -0.232 0.000 0.891 431 L HN 0.333 nan 8.230 nan 0.000 0.433 432 G N -0.781 108.039 108.800 0.032 0.000 2.426 432 G HA2 -0.092 3.868 3.960 -0.000 0.000 0.214 432 G HA3 -0.092 3.868 3.960 -0.000 0.000 0.214 432 G C 1.618 176.554 174.900 0.061 0.000 1.156 432 G CA 0.047 45.193 45.100 0.077 0.000 0.802 432 G HN 0.185 nan 8.290 nan 0.000 0.534 433 L N 1.658 122.934 121.223 0.090 0.000 2.083 433 L HA -0.084 4.256 4.340 -0.000 0.000 0.209 433 L C 3.013 179.925 176.870 0.069 0.000 1.083 433 L CA 1.530 56.387 54.840 0.029 0.000 0.752 433 L CB -0.210 41.888 42.059 0.066 0.000 0.899 433 L HN 0.409 nan 8.230 nan 0.000 0.433 434 S N -0.984 114.796 115.700 0.134 0.000 2.660 434 S HA 0.139 4.609 4.470 -0.000 0.000 0.223 434 S C 1.447 176.189 174.600 0.237 0.000 0.963 434 S CA 0.393 58.718 58.200 0.208 0.000 0.932 434 S CB 0.269 63.669 63.200 0.334 0.000 0.775 434 S HN 0.583 nan 8.310 nan 0.000 0.531 435 G N 1.021 109.887 108.800 0.111 0.000 2.194 435 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.236 435 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.236 435 G C 0.000 174.884 174.900 -0.026 0.000 0.987 435 G CA 0.063 45.221 45.100 0.096 0.000 0.635 435 G HN 0.645 nan 8.290 nan 0.000 0.520 436 M N 2.310 121.682 119.600 -0.380 0.000 2.268 436 M HA 0.394 4.874 4.480 -0.000 0.000 0.349 436 M C -2.068 174.131 176.300 -0.168 0.000 1.485 436 M CA -1.119 53.853 55.300 -0.546 0.000 1.094 436 M CB 0.629 32.596 32.600 -1.055 0.000 1.843 436 M HN 0.008 nan 8.290 nan 0.000 0.460 437 P HA 0.199 nan 4.420 nan 0.000 0.274 437 P C -1.133 176.053 177.300 -0.191 0.000 1.246 437 P CA -0.122 62.753 63.100 -0.375 0.000 0.795 437 P CB 0.584 31.666 31.700 -1.030 0.000 1.006 438 R N 0.588 120.933 120.500 -0.258 0.000 2.549 438 R HA 0.473 4.813 4.340 -0.000 0.000 0.259 438 R C 0.307 176.574 176.300 -0.055 0.000 1.095 438 R CA -0.700 55.234 56.100 -0.277 0.000 1.148 438 R CB 0.150 30.264 30.300 -0.311 0.000 1.181 438 R HN 0.313 nan 8.270 nan 0.000 0.571 439 R N -0.836 119.738 120.500 0.123 0.000 3.758 439 R HA -0.196 4.144 4.340 -0.000 0.000 0.299 439 R C -1.112 175.519 176.300 0.553 0.000 1.182 439 R CA 0.820 57.110 56.100 0.316 0.000 0.809 439 R CB -1.518 28.901 30.300 0.197 0.000 1.249 439 R HN 0.366 nan 8.270 nan 0.000 0.497 440 Y N -0.604 119.878 120.300 0.304 0.000 2.360 440 Y HA 0.259 4.809 4.550 -0.000 0.000 0.337 440 Y C 1.475 177.357 175.900 -0.029 0.000 1.039 440 Y CA -1.478 56.722 58.100 0.167 0.000 1.109 440 Y CB 1.896 40.468 38.460 0.187 0.000 1.201 440 Y HN 0.082 nan 8.280 nan 0.000 0.458 441 S N -0.337 115.248 115.700 -0.191 0.000 2.535 441 S HA 0.173 4.643 4.470 -0.000 0.000 0.214 441 S C -0.068 174.359 174.600 -0.287 0.000 0.980 441 S CA 0.119 57.900 58.200 -0.697 0.000 0.907 441 S CB 0.287 63.086 63.200 -0.669 0.000 0.790 441 S HN 0.632 nan 8.310 nan 0.000 0.510 442 D N -0.350 119.986 120.400 -0.106 0.000 2.622 442 D HA 0.500 5.140 4.640 -0.000 0.000 0.255 442 D C -1.682 174.650 176.300 0.054 0.000 1.246 442 D CA -0.635 53.267 54.000 -0.163 0.000 0.795 442 D CB 1.790 42.438 40.800 -0.253 0.000 1.369 442 D HN 0.250 nan 8.370 nan 0.000 0.425 443 Y N -1.958 118.392 120.300 0.084 0.000 2.588 443 Y HA 0.738 5.288 4.550 0.000 0.000 0.343 443 Y C -2.693 173.308 175.900 0.169 0.000 1.065 443 Y CA -2.375 55.859 58.100 0.223 0.000 1.038 443 Y CB -0.024 38.620 38.460 0.306 0.000 1.297 443 Y HN 0.033 nan 8.280 nan 0.000 0.467 444 P HA 0.055 nan 4.420 nan 0.000 0.267 444 P C 0.177 177.530 177.300 0.089 0.000 1.200 444 P CA 0.230 63.399 63.100 0.115 0.000 0.772 444 P CB 0.822 32.542 31.700 0.034 0.000 0.855 445 D N 2.016 122.408 120.400 -0.012 0.000 2.172 445 D HA -0.238 4.402 4.640 -0.000 0.000 0.196 445 D C 1.849 178.128 176.300 -0.035 0.000 0.999 445 D CA 2.015 56.009 54.000 -0.010 0.000 0.856 445 D CB -0.594 40.174 40.800 -0.052 0.000 0.934 445 D HN 0.401 nan 8.370 nan 0.000 0.453 446 A N 0.369 123.072 122.820 -0.195 0.000 1.986 446 A HA -0.225 4.095 4.320 -0.000 0.000 0.220 446 A C 1.455 178.911 177.584 -0.213 0.000 1.171 446 A CA 1.153 53.024 52.037 -0.277 0.000 0.640 446 A CB -0.976 17.771 19.000 -0.421 0.000 0.811 446 A HN 0.277 nan 8.150 nan 0.000 0.451 447 Y N 0.733 121.065 120.300 0.053 0.000 2.477 447 Y HA 0.067 4.617 4.550 -0.000 0.000 0.303 447 Y C 2.266 178.051 175.900 -0.192 0.000 1.202 447 Y CA 0.429 58.484 58.100 -0.076 0.000 1.282 447 Y CB -1.345 37.025 38.460 -0.150 0.000 1.071 447 Y HN 0.244 nan 8.280 nan 0.000 0.510 448 T N -0.496 114.120 114.554 0.103 0.000 2.821 448 T HA -0.224 4.126 4.350 -0.000 0.000 0.267 448 T C 2.082 176.744 174.700 -0.063 0.000 1.046 448 T CA 1.344 63.518 62.100 0.123 0.000 1.139 448 T CB -0.127 68.815 68.868 0.123 0.000 0.871 448 T HN 0.425 nan 8.240 nan 0.000 0.454 449 M N -0.271 119.189 119.600 -0.234 0.000 2.059 449 M HA -0.072 4.408 4.480 -0.000 0.000 0.259 449 M C 1.905 178.097 176.300 -0.179 0.000 1.072 449 M CA 1.841 56.933 55.300 -0.345 0.000 1.117 449 M CB -0.234 31.944 32.600 -0.704 0.000 1.320 449 M HN 0.381 nan 8.290 nan 0.000 0.408 450 W N 0.538 121.818 121.300 -0.033 0.000 2.342 450 W HA -0.166 4.494 4.660 -0.000 0.000 0.297 450 W C 2.051 178.494 176.519 -0.126 0.000 1.213 450 W CA 0.307 57.630 57.345 -0.038 0.000 1.251 450 W CB -0.633 28.829 29.460 0.004 0.000 1.136 450 W HN 0.349 nan 8.180 nan 0.000 0.526 451 N N -0.457 118.228 118.700 -0.026 0.000 2.409 451 N HA -0.064 4.676 4.740 -0.000 0.000 0.179 451 N C 1.420 176.906 175.510 -0.040 0.000 1.032 451 N CA 1.398 54.355 53.050 -0.156 0.000 0.898 451 N CB -0.173 38.042 38.487 -0.453 0.000 0.971 451 N HN 0.122 nan 8.380 nan 0.000 0.441 452 T N 1.443 115.992 114.554 -0.007 0.000 2.894 452 T HA 0.137 4.487 4.350 -0.000 0.000 0.258 452 T C 2.133 176.837 174.700 0.008 0.000 1.043 452 T CA 0.325 62.427 62.100 0.002 0.000 1.141 452 T CB 0.203 69.063 68.868 -0.013 0.000 0.873 452 T HN 0.112 nan 8.240 nan 0.000 0.449 453 I N 0.843 121.444 120.570 0.051 0.000 2.202 453 I HA -0.161 4.009 4.170 -0.000 0.000 0.242 453 I C 2.784 178.928 176.117 0.044 0.000 1.091 453 I CA 0.895 62.244 61.300 0.082 0.000 1.368 453 I CB -0.472 37.650 38.000 0.203 0.000 1.058 453 I HN 0.226 nan 8.210 nan 0.000 0.410 454 S N 0.356 116.075 115.700 0.032 0.000 2.365 454 S HA -0.228 4.242 4.470 -0.000 0.000 0.225 454 S C 2.239 176.792 174.600 -0.080 0.000 1.039 454 S CA 2.274 60.437 58.200 -0.062 0.000 1.033 454 S CB -0.220 62.917 63.200 -0.104 0.000 0.887 454 S HN 0.399 nan 8.310 nan 0.000 0.447 455 S N 0.872 116.552 115.700 -0.034 0.000 2.399 455 S HA 0.022 4.492 4.470 -0.000 0.000 0.231 455 S C 1.864 176.493 174.600 0.049 0.000 1.022 455 S CA 1.359 59.566 58.200 0.011 0.000 0.983 455 S CB -0.331 62.885 63.200 0.027 0.000 0.803 455 S HN 0.518 nan 8.310 nan 0.000 0.480 456 M N 0.797 120.397 119.600 -0.001 0.000 2.117 456 M HA -0.061 4.419 4.480 -0.000 0.000 0.262 456 M C 2.524 178.864 176.300 0.066 0.000 1.065 456 M CA 1.480 56.776 55.300 -0.005 0.000 1.114 456 M CB -0.968 31.618 32.600 -0.023 0.000 1.361 456 M HN 0.461 nan 8.290 nan 0.000 0.408 457 G N 0.346 109.157 108.800 0.018 0.000 2.476 457 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.218 457 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.218 457 G C 1.569 176.477 174.900 0.014 0.000 1.164 457 G CA 1.501 46.597 45.100 -0.008 0.000 0.768 457 G HN 0.567 nan 8.290 nan 0.000 0.560 458 S N -0.233 115.473 115.700 0.008 0.000 2.440 458 S HA -0.075 4.395 4.470 -0.000 0.000 0.240 458 S C 2.037 176.685 174.600 0.081 0.000 1.014 458 S CA 1.300 59.511 58.200 0.018 0.000 0.980 458 S CB -0.455 62.758 63.200 0.021 0.000 0.775 458 S HN 0.197 nan 8.310 nan 0.000 0.499 459 F N 1.314 121.247 119.950 -0.029 0.000 2.335 459 F HA 0.373 4.900 4.527 -0.000 0.000 0.296 459 F C 2.066 177.871 175.800 0.007 0.000 1.091 459 F CA -0.056 57.940 58.000 -0.006 0.000 1.399 459 F CB -0.279 38.718 39.000 -0.005 0.000 1.067 459 F HN 0.193 nan 8.300 nan 0.000 0.520 460 I N -1.136 119.524 120.570 0.151 0.000 2.226 460 I HA -0.306 3.864 4.170 -0.000 0.000 0.245 460 I C 2.348 178.507 176.117 0.069 0.000 1.100 460 I CA 1.244 62.602 61.300 0.096 0.000 1.374 460 I CB -0.663 37.378 38.000 0.069 0.000 1.057 460 I HN -0.018 nan 8.210 nan 0.000 0.413 461 S N 1.049 116.780 115.700 0.052 0.000 2.370 461 S HA -0.201 4.269 4.470 -0.000 0.000 0.226 461 S C 1.962 176.595 174.600 0.055 0.000 1.033 461 S CA 1.357 59.597 58.200 0.067 0.000 1.011 461 S CB -0.514 62.728 63.200 0.069 0.000 0.852 461 S HN 0.330 nan 8.310 nan 0.000 0.457 462 L N 1.889 123.103 121.223 -0.016 0.000 2.013 462 L HA -0.171 4.169 4.340 -0.000 0.000 0.212 462 L C 2.244 179.110 176.870 -0.006 0.000 1.073 462 L CA 1.978 56.781 54.840 -0.063 0.000 0.753 462 L CB -1.341 40.585 42.059 -0.222 0.000 0.890 462 L HN 0.221 nan 8.230 nan 0.000 0.432 463 T N -0.134 114.432 114.554 0.020 0.000 2.720 463 T HA -0.187 4.163 4.350 -0.000 0.000 0.268 463 T C 1.895 176.660 174.700 0.107 0.000 1.037 463 T CA 1.434 63.567 62.100 0.054 0.000 1.144 463 T CB -0.600 68.311 68.868 0.072 0.000 0.864 463 T HN 0.568 nan 8.240 nan 0.000 0.444 464 A N 1.079 123.991 122.820 0.153 0.000 1.972 464 A HA -0.033 4.287 4.320 -0.000 0.000 0.219 464 A C 2.593 180.377 177.584 0.333 0.000 1.169 464 A CA 1.653 53.863 52.037 0.289 0.000 0.635 464 A CB -0.858 18.287 19.000 0.242 0.000 0.810 464 A HN 0.484 nan 8.150 nan 0.000 0.446 465 V N -1.966 118.064 119.914 0.193 0.000 2.951 465 V HA -0.096 4.024 4.120 -0.000 0.000 0.255 465 V C 2.007 178.130 176.094 0.048 0.000 1.088 465 V CA 1.871 64.249 62.300 0.130 0.000 1.109 465 V CB -0.530 31.343 31.823 0.084 0.000 0.724 465 V HN 0.522 nan 8.190 nan 0.000 0.471 466 M N -0.450 119.174 119.600 0.040 0.000 2.098 466 M HA 0.015 4.495 4.480 -0.000 0.000 0.262 466 M C 2.279 178.592 176.300 0.022 0.000 1.072 466 M CA 1.896 57.201 55.300 0.009 0.000 1.133 466 M CB -0.456 32.136 32.600 -0.013 0.000 1.344 466 M HN 0.306 nan 8.290 nan 0.000 0.414 467 L N 0.330 121.578 121.223 0.042 0.000 2.081 467 L HA -0.282 4.058 4.340 -0.000 0.000 0.212 467 L C 2.718 179.601 176.870 0.022 0.000 1.080 467 L CA 1.448 56.322 54.840 0.056 0.000 0.754 467 L CB -0.398 41.738 42.059 0.128 0.000 0.893 467 L HN 0.453 nan 8.230 nan 0.000 0.433 468 M N -0.901 118.625 119.600 -0.123 0.000 2.117 468 M HA -0.202 4.278 4.480 -0.000 0.000 0.262 468 M C 2.129 178.368 176.300 -0.102 0.000 1.065 468 M CA 1.697 56.827 55.300 -0.284 0.000 1.114 468 M CB -0.015 32.344 32.600 -0.401 0.000 1.361 468 M HN 0.066 nan 8.290 nan 0.000 0.408 469 V N 0.800 120.701 119.914 -0.021 0.000 2.287 469 V HA -0.301 3.819 4.120 -0.000 0.000 0.248 469 V C 2.209 178.357 176.094 0.091 0.000 1.053 469 V CA 2.254 64.577 62.300 0.039 0.000 1.027 469 V CB -1.165 30.683 31.823 0.041 0.000 0.646 469 V HN 0.616 nan 8.190 nan 0.000 0.447 470 F N 0.734 120.650 119.950 -0.058 0.000 2.069 470 F HA -0.208 4.319 4.527 -0.000 0.000 0.298 470 F C 2.185 177.994 175.800 0.016 0.000 1.113 470 F CA 1.673 59.643 58.000 -0.050 0.000 1.214 470 F CB -0.436 38.441 39.000 -0.204 0.000 0.978 470 F HN 0.054 nan 8.300 nan 0.000 0.474 471 I N 0.348 120.688 120.570 -0.383 0.000 2.194 471 I HA -0.357 3.813 4.170 -0.000 0.000 0.246 471 I C 2.478 178.406 176.117 -0.315 0.000 1.093 471 I CA 1.802 62.837 61.300 -0.442 0.000 1.355 471 I CB -0.594 37.289 38.000 -0.194 0.000 1.046 471 I HN 0.239 nan 8.210 nan 0.000 0.413 472 I N -0.618 119.863 120.570 -0.148 0.000 2.202 472 I HA -0.299 3.871 4.170 -0.000 0.000 0.242 472 I C 2.500 178.680 176.117 0.105 0.000 1.091 472 I CA 1.505 62.770 61.300 -0.058 0.000 1.368 472 I CB -0.476 37.616 38.000 0.153 0.000 1.058 472 I HN 0.399 nan 8.210 nan 0.000 0.410 473 W N 2.912 124.180 121.300 -0.054 0.000 2.332 473 W HA -0.326 4.334 4.660 -0.000 0.000 0.321 473 W C 2.529 178.998 176.519 -0.083 0.000 1.219 473 W CA 2.294 59.644 57.345 0.008 0.000 1.277 473 W CB -0.261 29.178 29.460 -0.035 0.000 1.161 473 W HN 0.268 nan 8.180 nan 0.000 0.476 474 E N 0.980 120.997 120.200 -0.305 0.000 2.204 474 E HA -0.173 4.177 4.350 -0.000 0.000 0.195 474 E C 1.908 178.221 176.600 -0.478 0.000 0.990 474 E CA 2.191 58.195 56.400 -0.660 0.000 0.821 474 E CB -1.149 28.210 29.700 -0.569 0.000 0.750 474 E HN 0.239 nan 8.360 nan 0.000 0.477 475 A N 0.073 122.688 122.820 -0.342 0.000 1.877 475 A HA -0.051 4.269 4.320 -0.000 0.000 0.216 475 A C 1.944 179.351 177.584 -0.295 0.000 1.186 475 A CA 1.386 53.262 52.037 -0.267 0.000 0.620 475 A CB -0.857 17.970 19.000 -0.289 0.000 0.822 475 A HN 0.337 nan 8.150 nan 0.000 0.443 476 F N -0.171 119.680 119.950 -0.165 0.000 2.456 476 F HA 0.114 4.641 4.527 0.000 0.000 0.298 476 F C 2.618 178.158 175.800 -0.433 0.000 1.104 476 F CA 0.397 58.275 58.000 -0.205 0.000 1.435 476 F CB -0.352 38.632 39.000 -0.028 0.000 1.078 476 F HN 0.262 nan 8.300 nan 0.000 0.546 477 A N -0.966 121.577 122.820 -0.461 0.000 1.898 477 A HA -0.088 4.232 4.320 -0.000 0.000 0.214 477 A C 2.360 179.698 177.584 -0.409 0.000 1.183 477 A CA 1.771 53.441 52.037 -0.611 0.000 0.622 477 A CB -0.890 17.322 19.000 -1.313 0.000 0.824 477 A HN 0.244 nan 8.150 nan 0.000 0.444 478 S N -0.582 114.891 115.700 -0.379 0.000 2.414 478 S HA 0.022 4.492 4.470 -0.000 0.000 0.227 478 S C 0.377 174.822 174.600 -0.259 0.000 1.022 478 S CA 0.735 58.784 58.200 -0.252 0.000 0.958 478 S CB -0.152 62.939 63.200 -0.182 0.000 0.797 478 S HN 0.555 nan 8.310 nan 0.000 0.493 479 K N 0.943 121.090 120.400 -0.420 0.000 3.372 479 K HA -0.145 4.175 4.320 -0.000 0.000 0.272 479 K C -1.010 175.441 176.600 -0.249 0.000 1.037 479 K CA 0.285 56.218 56.287 -0.589 0.000 0.777 479 K CB -1.264 30.978 32.500 -0.430 0.000 1.347 479 K HN 0.394 nan 8.250 nan 0.000 0.460 480 R N 1.815 122.234 120.500 -0.136 0.000 2.419 480 R HA 0.107 4.447 4.340 -0.000 0.000 0.305 480 R C -0.002 176.397 176.300 0.165 0.000 1.242 480 R CA -0.192 55.922 56.100 0.023 0.000 1.105 480 R CB 0.348 30.658 30.300 0.018 0.000 1.116 480 R HN 0.249 nan 8.270 nan 0.000 0.523 481 E N 1.485 121.807 120.200 0.205 0.000 2.392 481 E HA 0.038 4.388 4.350 -0.000 0.000 0.264 481 E C -0.018 176.644 176.600 0.104 0.000 1.024 481 E CA -0.242 56.290 56.400 0.220 0.000 0.903 481 E CB 1.108 30.916 29.700 0.181 0.000 0.963 481 E HN 0.170 nan 8.360 nan 0.000 0.432 482 V N 4.711 124.665 119.914 0.066 0.000 2.740 482 V HA -0.059 4.061 4.120 -0.000 0.000 0.303 482 V C 1.159 177.267 176.094 0.023 0.000 1.054 482 V CA 0.481 62.801 62.300 0.033 0.000 1.106 482 V CB 0.659 32.495 31.823 0.022 0.000 0.957 482 V HN 0.705 nan 8.190 nan 0.000 0.486 483 L N 2.222 123.451 121.223 0.009 0.000 2.541 483 L HA 0.256 4.596 4.340 -0.000 0.000 0.187 483 L C 0.692 177.558 176.870 -0.007 0.000 1.098 483 L CA 0.706 55.550 54.840 0.006 0.000 0.846 483 L CB 0.558 42.620 42.059 0.005 0.000 1.151 483 L HN 0.656 nan 8.230 nan 0.000 0.492 484 T N 0.410 114.948 114.554 -0.027 0.000 2.886 484 T HA 0.545 4.895 4.350 -0.000 0.000 0.292 484 T C -0.762 173.880 174.700 -0.096 0.000 1.012 484 T CA -0.260 61.813 62.100 -0.045 0.000 0.982 484 T CB 2.872 71.716 68.868 -0.040 0.000 1.018 484 T HN -0.277 nan 8.240 nan 0.000 0.451 485 V N 2.956 122.794 119.914 -0.127 0.000 2.555 485 V HA 0.440 4.560 4.120 -0.000 0.000 0.302 485 V C -0.316 175.654 176.094 -0.207 0.000 1.038 485 V CA -0.919 61.224 62.300 -0.263 0.000 0.887 485 V CB 2.126 33.713 31.823 -0.393 0.000 0.991 485 V HN 0.824 nan 8.190 nan 0.000 0.434 486 D N 2.082 122.352 120.400 -0.217 0.000 2.383 486 D HA 0.527 5.167 4.640 -0.000 0.000 0.248 486 D C 0.784 176.995 176.300 -0.148 0.000 1.170 486 D CA -0.169 53.720 54.000 -0.185 0.000 0.977 486 D CB 0.590 41.227 40.800 -0.273 0.000 1.120 486 D HN 0.500 nan 8.370 nan 0.000 0.481 487 L N 0.066 121.198 121.223 -0.152 0.000 3.851 487 L HA -0.304 4.036 4.340 -0.000 0.000 0.438 487 L C 1.596 178.503 176.870 0.063 0.000 1.171 487 L CA 0.650 55.443 54.840 -0.078 0.000 0.895 487 L CB -2.171 39.768 42.059 -0.200 0.000 1.800 487 L HN 0.606 nan 8.230 nan 0.000 0.960 488 T N -5.580 109.009 114.554 0.059 0.000 2.962 488 T HA -0.177 4.173 4.350 -0.000 0.000 0.270 488 T C 1.824 176.618 174.700 0.156 0.000 1.088 488 T CA 1.304 63.493 62.100 0.148 0.000 1.127 488 T CB -0.404 68.550 68.868 0.143 0.000 0.883 488 T HN 0.624 nan 8.240 nan 0.000 0.493 489 T N 1.389 116.003 114.554 0.100 0.000 2.699 489 T HA -0.202 4.148 4.350 -0.000 0.000 0.268 489 T C 2.049 176.818 174.700 0.114 0.000 1.036 489 T CA 2.037 64.194 62.100 0.094 0.000 1.147 489 T CB -1.411 67.492 68.868 0.058 0.000 0.862 489 T HN 0.657 nan 8.240 nan 0.000 0.446 490 T N -1.184 113.444 114.554 0.122 0.000 3.040 490 T HA 0.212 4.562 4.350 -0.000 0.000 0.250 490 T C 0.789 175.613 174.700 0.207 0.000 1.058 490 T CA -0.393 61.788 62.100 0.135 0.000 0.988 490 T CB -0.088 68.838 68.868 0.098 0.000 0.993 490 T HN 0.375 nan 8.240 nan 0.000 0.519 491 N N 1.882 120.747 118.700 0.275 0.000 3.012 491 N HA 0.295 5.035 4.740 -0.000 0.000 0.270 491 N C 0.682 176.448 175.510 0.428 0.000 1.469 491 N CA -0.167 53.128 53.050 0.408 0.000 0.928 491 N CB 1.191 40.013 38.487 0.558 0.000 1.219 491 N HN 0.161 nan 8.380 nan 0.000 0.492 492 L N 1.341 122.757 121.223 0.323 0.000 2.270 492 L HA -0.210 4.130 4.340 -0.000 0.000 0.217 492 L C 2.478 179.533 176.870 0.308 0.000 1.107 492 L CA 1.645 56.666 54.840 0.302 0.000 0.772 492 L CB 0.045 42.261 42.059 0.261 0.000 0.902 492 L HN 0.488 nan 8.230 nan 0.000 0.439 493 E N -1.124 119.227 120.200 0.252 0.000 2.268 493 E HA -0.255 4.095 4.350 -0.000 0.000 0.195 493 E C 1.605 178.213 176.600 0.014 0.000 0.995 493 E CA 1.129 57.587 56.400 0.096 0.000 0.836 493 E CB -0.626 29.034 29.700 -0.066 0.000 0.763 493 E HN 0.624 nan 8.360 nan 0.000 0.491 494 W N 0.889 122.285 121.300 0.159 0.000 3.139 494 W HA 0.316 4.976 4.660 0.000 0.000 0.260 494 W C 2.021 178.582 176.519 0.071 0.000 1.312 494 W CA -0.370 57.029 57.345 0.090 0.000 1.606 494 W CB -0.026 29.471 29.460 0.063 0.000 1.118 494 W HN -0.046 nan 8.180 nan 0.000 0.675 495 L N 0.850 122.246 121.223 0.288 0.000 2.362 495 L HA -0.135 4.205 4.340 -0.000 0.000 0.219 495 L C 1.379 178.300 176.870 0.086 0.000 1.134 495 L CA 0.987 55.934 54.840 0.178 0.000 0.807 495 L CB -0.371 41.793 42.059 0.175 0.000 0.927 495 L HN 0.130 nan 8.230 nan 0.000 0.447 496 N N -0.070 118.661 118.700 0.052 0.000 2.235 496 N HA 0.131 4.871 4.740 -0.000 0.000 0.209 496 N C 0.654 176.182 175.510 0.030 0.000 1.122 496 N CA 0.656 53.696 53.050 -0.016 0.000 0.845 496 N CB 0.934 39.350 38.487 -0.118 0.000 1.004 496 N HN 0.326 nan 8.380 nan 0.000 0.499 497 G N 0.739 109.589 108.800 0.084 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 -0.650 174.301 174.900 0.086 0.000 1.390 497 G CA -0.852 44.301 45.100 0.088 0.000 0.850 497 G HN 0.287 nan 8.290 nan 0.000 0.557 498 C N 2.890 122.232 119.300 0.070 0.000 2.271 498 C HA 0.730 5.190 4.460 -0.000 0.000 0.323 498 C C -1.314 173.651 174.990 -0.042 0.000 1.245 498 C CA -0.923 58.107 59.018 0.020 0.000 1.548 498 C CB 0.991 28.759 27.740 0.046 0.000 2.214 498 C HN 0.796 nan 8.230 nan 0.000 0.477 499 P HA 0.397 nan 4.420 nan 0.000 0.285 499 P C -2.646 174.696 177.300 0.071 0.000 1.269 499 P CA -1.600 61.515 63.100 0.025 0.000 0.844 499 P CB 0.637 32.376 31.700 0.065 0.000 1.094 500 P HA 0.120 nan 4.420 nan 0.000 0.269 500 P C -2.200 175.127 177.300 0.045 0.000 1.209 500 P CA -0.966 62.181 63.100 0.079 0.000 0.776 500 P CB -0.932 30.842 31.700 0.123 0.000 0.876 501 P HA -0.055 nan 4.420 nan 0.000 0.270 501 P C 0.785 178.082 177.300 -0.005 0.000 1.223 501 P CA -0.087 63.026 63.100 0.021 0.000 0.785 501 P CB 0.513 32.227 31.700 0.022 0.000 0.923 502 Y N 1.568 121.776 120.300 -0.154 0.000 2.096 502 Y HA -0.239 4.311 4.550 -0.000 0.000 0.278 502 Y C 0.904 176.606 175.900 -0.330 0.000 1.192 502 Y CA 1.886 59.802 58.100 -0.307 0.000 1.143 502 Y CB -0.456 37.770 38.460 -0.390 0.000 0.963 502 Y HN 0.438 nan 8.280 nan 0.000 0.505 503 H N -0.309 118.816 119.070 0.092 0.000 2.685 503 H HA 0.329 4.885 4.556 -0.000 0.000 0.307 503 H C -0.261 175.066 175.328 -0.002 0.000 1.017 503 H CA -0.428 55.643 56.048 0.038 0.000 1.237 503 H CB 0.801 30.621 29.762 0.098 0.000 1.409 503 H HN 0.020 nan 8.280 nan 0.000 0.488 504 T N -0.267 114.349 114.554 0.104 0.000 2.929 504 T HA 0.258 4.608 4.350 -0.000 0.000 0.284 504 T C 0.155 174.867 174.700 0.021 0.000 1.014 504 T CA -0.823 61.223 62.100 -0.091 0.000 1.051 504 T CB 0.781 69.550 68.868 -0.165 0.000 1.028 504 T HN 0.554 nan 8.240 nan 0.000 0.485 505 F N -0.732 119.254 119.950 0.061 0.000 3.093 505 F HA -0.206 4.321 4.527 -0.000 0.000 0.287 505 F C 1.299 177.107 175.800 0.014 0.000 0.882 505 F CA 0.472 58.493 58.000 0.034 0.000 1.063 505 F CB -2.573 36.437 39.000 0.017 0.000 1.097 505 F HN 0.793 nan 8.300 nan 0.000 0.604 506 E N 0.311 120.576 120.200 0.108 0.000 2.204 506 E HA -0.183 4.167 4.350 -0.000 0.000 0.195 506 E C 1.064 177.698 176.600 0.056 0.000 0.990 506 E CA 1.400 57.828 56.400 0.047 0.000 0.821 506 E CB 0.071 29.777 29.700 0.011 0.000 0.750 506 E HN 0.652 nan 8.360 nan 0.000 0.477 507 E N 1.243 121.494 120.200 0.085 0.000 2.155 507 E HA 0.213 4.563 4.350 -0.000 0.000 0.264 507 E C -2.566 174.126 176.600 0.152 0.000 0.886 507 E CA -2.679 53.773 56.400 0.087 0.000 0.752 507 E CB 1.318 31.058 29.700 0.067 0.000 1.133 507 E HN -0.257 nan 8.360 nan 0.000 0.414 508 P HA -0.064 nan 4.420 nan 0.000 0.271 508 P C -0.381 177.029 177.300 0.185 0.000 1.228 508 P CA 0.043 63.224 63.100 0.135 0.000 0.797 508 P CB 0.390 32.126 31.700 0.060 0.000 0.914 509 T N -1.718 112.929 114.554 0.156 0.000 2.770 509 T HA 0.291 4.641 4.350 -0.000 0.000 0.281 509 T C -0.840 173.955 174.700 0.159 0.000 0.981 509 T CA -0.258 61.953 62.100 0.185 0.000 0.955 509 T CB 0.265 69.213 68.868 0.132 0.000 1.060 509 T HN 0.323 nan 8.240 nan 0.000 0.531 510 Y N 0.099 120.430 120.300 0.052 0.000 2.328 510 Y HA 0.584 5.134 4.550 -0.000 0.000 0.333 510 Y C -1.513 174.401 175.900 0.024 0.000 0.958 510 Y CA -1.072 57.047 58.100 0.031 0.000 1.167 510 Y CB 1.176 39.656 38.460 0.033 0.000 1.151 510 Y HN 0.576 nan 8.280 nan 0.000 0.470 511 V N 6.578 126.229 119.914 -0.440 0.000 2.569 511 V HA 0.273 4.393 4.120 -0.000 0.000 0.301 511 V C -0.492 175.340 176.094 -0.438 0.000 1.044 511 V CA -1.162 60.958 62.300 -0.299 0.000 0.874 511 V CB 1.653 33.396 31.823 -0.133 0.000 1.002 511 V HN 0.869 nan 8.190 nan 0.000 0.424 512 N N 2.440 120.938 118.700 -0.336 0.000 2.482 512 N HA 0.335 5.075 4.740 -0.000 0.000 0.260 512 N C -0.804 174.632 175.510 -0.124 0.000 1.236 512 N CA -0.631 52.283 53.050 -0.227 0.000 0.938 512 N CB 0.845 39.300 38.487 -0.052 0.000 1.128 512 N HN 0.403 nan 8.380 nan 0.000 0.448 513 L N 3.669 124.837 121.223 -0.092 0.000 2.353 513 L HA 0.236 4.576 4.340 -0.000 0.000 0.269 513 L C 0.081 176.936 176.870 -0.025 0.000 1.085 513 L CA -0.244 54.563 54.840 -0.054 0.000 0.938 513 L CB -0.305 41.724 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 -0.016 0.000 2.780 514 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 514 K CA 0.000 56.286 56.287 -0.001 0.000 0.838 514 K CB 0.000 32.501 32.500 0.002 0.000 1.064 514 K HN 0.000 nan 8.250 nan 0.000 0.543