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 2a06_1_C DATA FIRST_RESID 15 DATA SEQUENCE NNAFIDLPAP SNISSWWNFG SLLGICLILQ ILTGLFLAMH YTSDTTTAFS DATA SEQUENCE SVTHICRDVN YGWIIRYMHA NGASMFFICL YMHVGRGLYY GSYTFLETWN DATA SEQUENCE IGVILLLTVM ATAFMGYVLP WGQMSFWGAT VITNLLSAIP YIGTNLVEWI DATA SEQUENCE WGGFSVDKAT LTRFFAFHFI LPFIIMAIAM VHLLFLHETG SNNPTGISSD DATA SEQUENCE VDKIPFHPYY TIKDILGALL LILALMLLVL FAPDLLGDPD NYTPANPLNT DATA SEQUENCE PPHIKPEWYF LFAYAILRSI PNKLGGVLAL AFSILILALI PLLHTSKQRS DATA SEQUENCE MMFRPLSQCL FWALVADLLT LTWIGGQPVE HPYITIGQLA SVLYFLLILV DATA SEQUENCE LMPTAGTIEN KLLKW 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 15 N HA 0.000 nan 4.740 nan 0.000 0.220 15 N C 0.000 175.548 175.510 0.063 0.000 1.280 15 N CA 0.000 53.098 53.050 0.080 0.000 0.885 15 N CB 0.000 38.519 38.487 0.053 0.000 1.341 16 N N 0.272 118.996 118.700 0.039 0.000 2.712 16 N HA -0.246 4.494 4.740 -0.000 0.000 0.263 16 N C 0.187 175.713 175.510 0.027 0.000 0.954 16 N CA 1.322 54.382 53.050 0.016 0.000 0.812 16 N CB -0.456 38.040 38.487 0.016 0.000 0.912 16 N HN 0.704 nan 8.380 nan 0.000 0.551 17 A N -2.462 120.384 122.820 0.042 0.000 2.431 17 A HA 0.222 4.542 4.320 -0.000 0.000 0.149 17 A C 0.578 178.257 177.584 0.158 0.000 1.903 17 A CA 0.354 52.452 52.037 0.101 0.000 1.329 17 A CB 0.011 19.077 19.000 0.110 0.000 1.467 17 A HN 0.273 nan 8.150 nan 0.000 0.352 18 F N -0.672 119.240 119.950 -0.064 0.000 1.855 18 F HA 0.310 4.837 4.527 -0.000 0.000 0.229 18 F C 1.144 176.963 175.800 0.031 0.000 1.260 18 F CA 0.628 58.570 58.000 -0.097 0.000 1.277 18 F CB -0.300 38.663 39.000 -0.062 0.000 1.975 18 F HN -0.067 nan 8.300 nan 0.000 0.155 19 I N 1.861 122.458 120.570 0.046 0.000 2.087 19 I HA -0.283 3.887 4.170 -0.000 0.000 0.240 19 I C 1.053 177.205 176.117 0.058 0.000 1.054 19 I CA 1.994 63.315 61.300 0.035 0.000 1.311 19 I CB -1.257 36.810 38.000 0.112 0.000 1.024 19 I HN 0.326 nan 8.210 nan 0.000 0.402 20 D N 0.819 121.249 120.400 0.051 0.000 2.336 20 D HA 0.108 4.748 4.640 -0.000 0.000 0.228 20 D C 0.658 176.974 176.300 0.027 0.000 1.120 20 D CA -0.235 53.795 54.000 0.050 0.000 0.839 20 D CB -0.056 40.770 40.800 0.042 0.000 0.932 20 D HN 0.090 nan 8.370 nan 0.000 0.509 21 L N 2.262 123.483 121.223 -0.004 0.000 2.534 21 L HA 0.157 4.497 4.340 -0.000 0.000 0.271 21 L C -2.462 174.429 176.870 0.035 0.000 1.178 21 L CA -0.917 53.891 54.840 -0.055 0.000 0.907 21 L CB 0.329 42.271 42.059 -0.194 0.000 1.164 21 L HN -0.256 nan 8.230 nan 0.000 0.482 22 P HA 0.324 nan 4.420 nan 0.000 0.276 22 P C -1.340 175.993 177.300 0.056 0.000 1.243 22 P CA -0.124 62.998 63.100 0.037 0.000 0.768 22 P CB 1.130 32.834 31.700 0.007 0.000 0.856 23 A N 5.335 128.221 122.820 0.109 0.000 2.401 23 A HA 0.754 5.074 4.320 -0.000 0.000 0.310 23 A C -2.769 174.850 177.584 0.059 0.000 1.075 23 A CA -2.271 49.830 52.037 0.107 0.000 0.746 23 A CB 0.761 19.912 19.000 0.252 0.000 1.277 23 A HN 0.277 nan 8.150 nan 0.000 0.425 24 P HA 0.061 nan 4.420 nan 0.000 0.268 24 P C 0.942 178.229 177.300 -0.022 0.000 1.205 24 P CA 0.339 63.393 63.100 -0.078 0.000 0.771 24 P CB 0.842 32.426 31.700 -0.193 0.000 0.858 25 S N 1.293 116.963 115.700 -0.051 0.000 2.481 25 S HA -0.102 4.368 4.470 -0.000 0.000 0.231 25 S C 1.039 175.602 174.600 -0.062 0.000 0.996 25 S CA 0.678 58.833 58.200 -0.075 0.000 0.942 25 S CB -0.811 62.305 63.200 -0.140 0.000 0.768 25 S HN 0.571 nan 8.310 nan 0.000 0.520 26 N N 1.828 120.463 118.700 -0.109 0.000 2.234 26 N HA 0.138 4.878 4.740 -0.000 0.000 0.227 26 N C 0.191 175.536 175.510 -0.276 0.000 1.151 26 N CA -0.551 52.411 53.050 -0.145 0.000 0.865 26 N CB -0.527 37.878 38.487 -0.136 0.000 1.066 26 N HN 0.688 nan 8.380 nan 0.000 0.515 27 I N 0.010 120.348 120.570 -0.386 0.000 2.588 27 I HA 0.227 4.397 4.170 -0.000 0.000 0.283 27 I C 0.745 176.703 176.117 -0.265 0.000 1.119 27 I CA -0.753 60.097 61.300 -0.750 0.000 1.419 27 I CB 0.700 38.036 38.000 -1.106 0.000 1.394 27 I HN 0.047 nan 8.210 nan 0.000 0.562 28 S N 3.323 118.947 115.700 -0.125 0.000 2.623 28 S HA 0.284 4.754 4.470 -0.000 0.000 0.278 28 S C 1.076 175.824 174.600 0.247 0.000 1.148 28 S CA -0.262 58.018 58.200 0.133 0.000 1.028 28 S CB 1.168 64.505 63.200 0.229 0.000 1.145 28 S HN 0.705 nan 8.310 nan 0.000 0.523 29 S N -0.153 115.606 115.700 0.098 0.000 2.419 29 S HA -0.073 4.397 4.470 -0.000 0.000 0.235 29 S C 1.197 175.811 174.600 0.024 0.000 1.019 29 S CA 1.269 59.441 58.200 -0.047 0.000 0.982 29 S CB -0.644 62.409 63.200 -0.246 0.000 0.789 29 S HN 0.724 nan 8.310 nan 0.000 0.490 30 W N 0.467 122.017 121.300 0.416 0.000 2.468 30 W HA 0.001 4.661 4.660 -0.000 0.000 0.262 30 W C 1.601 178.322 176.519 0.337 0.000 1.241 30 W CA -0.151 57.465 57.345 0.451 0.000 1.232 30 W CB -0.225 29.430 29.460 0.325 0.000 1.124 30 W HN 0.375 nan 8.180 nan 0.000 0.597 31 W N 0.070 121.548 121.300 0.296 0.000 3.256 31 W HA 0.010 4.670 4.660 0.000 0.000 0.269 31 W C 0.824 177.436 176.519 0.155 0.000 1.310 31 W CA 0.238 57.710 57.345 0.211 0.000 1.673 31 W CB -0.509 28.979 29.460 0.047 0.000 1.115 31 W HN -0.025 nan 8.180 nan 0.000 0.686 32 N N -0.088 118.725 118.700 0.188 0.000 2.446 32 N HA -0.064 4.676 4.740 -0.000 0.000 0.179 32 N C 1.204 176.651 175.510 -0.105 0.000 1.054 32 N CA 0.840 53.874 53.050 -0.027 0.000 0.905 32 N CB -0.516 37.817 38.487 -0.257 0.000 0.973 32 N HN -0.081 nan 8.380 nan 0.000 0.448 33 F N 0.188 120.248 119.950 0.182 0.000 2.365 33 F HA 0.073 4.600 4.527 -0.000 0.000 0.300 33 F C 2.351 178.162 175.800 0.018 0.000 1.090 33 F CA 0.715 58.798 58.000 0.137 0.000 1.408 33 F CB -0.701 38.444 39.000 0.242 0.000 1.060 33 F HN 0.069 nan 8.300 nan 0.000 0.534 34 G N -0.407 108.536 108.800 0.238 0.000 2.404 34 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.215 34 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.215 34 G C 1.809 176.734 174.900 0.042 0.000 1.174 34 G CA 1.013 46.157 45.100 0.074 0.000 0.780 34 G HN 0.430 nan 8.290 nan 0.000 0.537 35 S N 0.455 116.214 115.700 0.098 0.000 2.428 35 S HA 0.088 4.558 4.470 -0.000 0.000 0.230 35 S C 2.312 176.903 174.600 -0.015 0.000 1.014 35 S CA 0.718 58.961 58.200 0.071 0.000 0.957 35 S CB -0.293 62.995 63.200 0.146 0.000 0.784 35 S HN 0.278 nan 8.310 nan 0.000 0.499 36 L N 0.481 121.680 121.223 -0.040 0.000 2.109 36 L HA 0.051 4.391 4.340 -0.000 0.000 0.207 36 L C 2.543 179.313 176.870 -0.167 0.000 1.086 36 L CA 0.887 55.677 54.840 -0.084 0.000 0.760 36 L CB -0.606 41.413 42.059 -0.067 0.000 0.910 36 L HN 0.309 nan 8.230 nan 0.000 0.437 37 L N -0.374 120.740 121.223 -0.183 0.000 2.056 37 L HA -0.113 4.227 4.340 -0.000 0.000 0.207 37 L C 2.678 179.304 176.870 -0.407 0.000 1.078 37 L CA 1.336 55.955 54.840 -0.368 0.000 0.749 37 L CB -1.009 40.891 42.059 -0.267 0.000 0.901 37 L HN 0.290 nan 8.230 nan 0.000 0.433 38 G N 0.191 108.864 108.800 -0.212 0.000 2.418 38 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.217 38 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.217 38 G C 1.588 176.371 174.900 -0.196 0.000 1.158 38 G CA 0.674 45.677 45.100 -0.162 0.000 0.771 38 G HN 0.284 nan 8.290 nan 0.000 0.545 39 I N 0.224 120.686 120.570 -0.181 0.000 2.252 39 I HA -0.171 3.999 4.170 -0.000 0.000 0.245 39 I C 2.796 178.766 176.117 -0.245 0.000 1.102 39 I CA 0.445 61.647 61.300 -0.164 0.000 1.385 39 I CB -0.269 37.662 38.000 -0.114 0.000 1.064 39 I HN 0.184 nan 8.210 nan 0.000 0.414 40 C N 0.269 119.332 119.300 -0.396 0.000 2.413 40 C HA -0.173 4.287 4.460 -0.000 0.000 0.276 40 C C 2.750 177.408 174.990 -0.555 0.000 1.248 40 C CA 0.608 59.293 59.018 -0.556 0.000 1.742 40 C CB -0.919 26.217 27.740 -1.008 0.000 2.017 40 C HN 0.498 nan 8.230 nan 0.000 0.481 41 L N 0.838 121.696 121.223 -0.607 0.000 2.017 41 L HA -0.079 4.261 4.340 -0.000 0.000 0.208 41 L C 2.150 178.908 176.870 -0.185 0.000 1.073 41 L CA 1.889 56.551 54.840 -0.297 0.000 0.745 41 L CB -0.700 41.239 42.059 -0.200 0.000 0.894 41 L HN 0.326 nan 8.230 nan 0.000 0.432 42 I N -1.136 119.331 120.570 -0.173 0.000 2.252 42 I HA -0.286 3.883 4.170 -0.000 0.000 0.245 42 I C 2.430 178.497 176.117 -0.083 0.000 1.102 42 I CA 1.354 62.587 61.300 -0.112 0.000 1.385 42 I CB -0.248 37.699 38.000 -0.090 0.000 1.064 42 I HN 0.324 nan 8.210 nan 0.000 0.414 43 L N 0.155 121.319 121.223 -0.099 0.000 2.083 43 L HA -0.238 4.102 4.340 -0.000 0.000 0.209 43 L C 2.646 179.514 176.870 -0.004 0.000 1.083 43 L CA 1.477 56.283 54.840 -0.058 0.000 0.752 43 L CB -0.297 41.718 42.059 -0.073 0.000 0.899 43 L HN 0.228 nan 8.230 nan 0.000 0.433 44 Q N -0.010 119.772 119.800 -0.030 0.000 2.079 44 Q HA -0.158 4.182 4.340 -0.000 0.000 0.200 44 Q C 2.297 178.366 176.000 0.114 0.000 0.974 44 Q CA 1.961 57.787 55.803 0.039 0.000 0.840 44 Q CB -0.307 28.416 28.738 -0.024 0.000 0.898 44 Q HN 0.619 nan 8.270 nan 0.000 0.430 45 I N 0.361 120.909 120.570 -0.036 0.000 2.226 45 I HA -0.282 3.888 4.170 -0.000 0.000 0.245 45 I C 2.234 178.364 176.117 0.022 0.000 1.100 45 I CA 0.867 62.104 61.300 -0.105 0.000 1.374 45 I CB -0.243 37.611 38.000 -0.244 0.000 1.057 45 I HN 0.128 nan 8.210 nan 0.000 0.413 46 L N 0.050 121.310 121.223 0.062 0.000 2.005 46 L HA -0.198 4.142 4.340 -0.000 0.000 0.207 46 L C 2.872 179.869 176.870 0.212 0.000 1.072 46 L CA 2.076 57.005 54.840 0.148 0.000 0.744 46 L CB -1.258 40.843 42.059 0.070 0.000 0.895 46 L HN 0.405 nan 8.230 nan 0.000 0.433 47 T N -2.665 111.968 114.554 0.131 0.000 2.746 47 T HA -0.115 4.235 4.350 -0.000 0.000 0.267 47 T C 1.957 176.673 174.700 0.027 0.000 1.039 47 T CA 1.053 63.225 62.100 0.121 0.000 1.142 47 T CB -1.090 67.881 68.868 0.171 0.000 0.866 47 T HN 0.398 nan 8.240 nan 0.000 0.444 48 G N 1.615 110.386 108.800 -0.049 0.000 2.440 48 G HA2 -0.083 3.877 3.960 -0.000 0.000 0.218 48 G HA3 -0.083 3.877 3.960 -0.000 0.000 0.218 48 G C 1.551 176.356 174.900 -0.159 0.000 1.154 48 G CA 0.786 45.684 45.100 -0.337 0.000 0.767 48 G HN 0.511 nan 8.290 nan 0.000 0.552 49 L N -0.866 120.323 121.223 -0.055 0.000 2.046 49 L HA -0.023 4.317 4.340 -0.000 0.000 0.208 49 L C 2.688 179.522 176.870 -0.059 0.000 1.077 49 L CA 0.885 55.675 54.840 -0.083 0.000 0.747 49 L CB -0.347 41.701 42.059 -0.018 0.000 0.896 49 L HN 0.142 nan 8.230 nan 0.000 0.432 50 F N -0.431 119.511 119.950 -0.014 0.000 2.234 50 F HA -0.171 4.356 4.527 -0.000 0.000 0.299 50 F C 2.200 178.061 175.800 0.101 0.000 1.087 50 F CA 1.070 59.098 58.000 0.046 0.000 1.340 50 F CB -0.401 38.624 39.000 0.041 0.000 1.031 50 F HN -0.048 nan 8.300 nan 0.000 0.500 51 L N -0.807 120.508 121.223 0.153 0.000 2.072 51 L HA -0.143 4.197 4.340 -0.000 0.000 0.205 51 L C 2.675 179.642 176.870 0.162 0.000 1.079 51 L CA 1.052 55.962 54.840 0.116 0.000 0.752 51 L CB -1.000 41.006 42.059 -0.088 0.000 0.906 51 L HN 0.089 nan 8.230 nan 0.000 0.436 52 A N -0.328 122.574 122.820 0.136 0.000 2.076 52 A HA -0.217 4.103 4.320 -0.000 0.000 0.220 52 A C 2.260 179.983 177.584 0.232 0.000 1.160 52 A CA 1.531 53.759 52.037 0.319 0.000 0.653 52 A CB -0.532 18.678 19.000 0.350 0.000 0.801 52 A HN 0.392 nan 8.150 nan 0.000 0.455 53 M N -1.355 118.269 119.600 0.040 0.000 2.460 53 M HA -0.077 4.403 4.480 -0.000 0.000 0.263 53 M C 1.206 177.290 176.300 -0.360 0.000 1.071 53 M CA 1.030 56.218 55.300 -0.186 0.000 1.096 53 M CB -0.165 32.212 32.600 -0.371 0.000 1.408 53 M HN 0.513 nan 8.290 nan 0.000 0.463 54 H N -3.184 115.957 119.070 0.118 0.000 3.241 54 H HA 0.151 4.707 4.556 -0.000 0.000 0.260 54 H C -0.380 175.010 175.328 0.103 0.000 1.084 54 H CA -0.188 55.933 56.048 0.123 0.000 1.203 54 H CB 0.351 30.210 29.762 0.162 0.000 1.524 54 H HN 0.227 nan 8.280 nan 0.000 0.521 55 Y N 3.609 123.934 120.300 0.041 0.000 2.309 55 Y HA 0.270 4.820 4.550 0.000 0.000 0.327 55 Y C 0.224 175.984 175.900 -0.234 0.000 1.172 55 Y CA -0.508 57.521 58.100 -0.118 0.000 1.280 55 Y CB 0.887 39.207 38.460 -0.233 0.000 1.234 55 Y HN -0.053 nan 8.280 nan 0.000 0.512 56 T N 1.072 115.027 114.554 -0.999 0.000 2.841 56 T HA 0.336 4.686 4.350 -0.000 0.000 0.283 56 T C 0.240 174.152 174.700 -1.312 0.000 1.000 56 T CA -0.368 61.230 62.100 -0.836 0.000 0.977 56 T CB 1.264 69.870 68.868 -0.437 0.000 0.979 56 T HN 0.651 nan 8.240 nan 0.000 0.446 57 S N 0.458 115.638 115.700 -0.868 0.000 2.660 57 S HA 0.114 4.584 4.470 -0.000 0.000 0.227 57 S C 0.207 174.546 174.600 -0.435 0.000 0.948 57 S CA -0.586 57.248 58.200 -0.610 0.000 0.948 57 S CB -0.303 62.775 63.200 -0.204 0.000 0.779 57 S HN 0.816 nan 8.310 nan 0.000 0.487 58 D N 2.782 122.938 120.400 -0.407 0.000 2.351 58 D HA 0.063 4.703 4.640 -0.000 0.000 0.251 58 D C 1.421 177.487 176.300 -0.390 0.000 1.137 58 D CA 0.430 54.231 54.000 -0.332 0.000 0.879 58 D CB 1.776 42.431 40.800 -0.242 0.000 1.181 58 D HN 0.346 nan 8.370 nan 0.000 0.448 59 T N -0.091 114.188 114.554 -0.459 0.000 2.897 59 T HA -0.212 4.138 4.350 -0.000 0.000 0.271 59 T C 1.639 176.207 174.700 -0.220 0.000 1.084 59 T CA 1.837 63.603 62.100 -0.556 0.000 1.123 59 T CB -0.427 68.160 68.868 -0.469 0.000 0.865 59 T HN 0.492 nan 8.240 nan 0.000 0.496 60 T N -0.522 113.934 114.554 -0.162 0.000 3.067 60 T HA 0.043 4.393 4.350 -0.000 0.000 0.261 60 T C 1.861 176.521 174.700 -0.067 0.000 1.110 60 T CA 1.041 63.093 62.100 -0.080 0.000 1.113 60 T CB -0.437 68.385 68.868 -0.076 0.000 0.917 60 T HN 0.631 nan 8.240 nan 0.000 0.499 61 T N -2.660 111.819 114.554 -0.124 0.000 3.043 61 T HA 0.645 4.995 4.350 -0.000 0.000 0.272 61 T C 2.040 176.659 174.700 -0.135 0.000 0.990 61 T CA 0.329 62.362 62.100 -0.112 0.000 0.897 61 T CB -0.028 68.744 68.868 -0.159 0.000 1.111 61 T HN 0.322 nan 8.240 nan 0.000 0.529 62 A N 1.743 124.459 122.820 -0.173 0.000 1.851 62 A HA 0.056 4.376 4.320 -0.000 0.000 0.216 62 A C 1.845 179.498 177.584 0.116 0.000 1.195 62 A CA 1.557 53.498 52.037 -0.161 0.000 0.622 62 A CB -1.261 17.668 19.000 -0.119 0.000 0.831 62 A HN 0.476 nan 8.150 nan 0.000 0.444 63 F N 1.304 121.304 119.950 0.083 0.000 2.095 63 F HA -0.175 4.352 4.527 0.000 0.000 0.298 63 F C 2.665 178.515 175.800 0.083 0.000 1.104 63 F CA 1.969 60.038 58.000 0.114 0.000 1.232 63 F CB -0.305 38.772 39.000 0.128 0.000 0.987 63 F HN 0.205 nan 8.300 nan 0.000 0.475 64 S N -0.289 115.594 115.700 0.304 0.000 2.368 64 S HA -0.225 4.245 4.470 -0.000 0.000 0.225 64 S C 2.261 176.922 174.600 0.101 0.000 1.030 64 S CA 1.474 59.790 58.200 0.192 0.000 0.999 64 S CB -0.769 62.504 63.200 0.121 0.000 0.844 64 S HN 0.627 nan 8.310 nan 0.000 0.459 65 S N 1.332 117.056 115.700 0.040 0.000 2.399 65 S HA -0.045 4.425 4.470 -0.000 0.000 0.231 65 S C 1.839 176.512 174.600 0.122 0.000 1.022 65 S CA 1.042 59.272 58.200 0.050 0.000 0.983 65 S CB -0.655 62.492 63.200 -0.088 0.000 0.803 65 S HN 0.284 nan 8.310 nan 0.000 0.480 66 V N 2.932 122.887 119.914 0.068 0.000 2.358 66 V HA -0.134 3.986 4.120 -0.000 0.000 0.246 66 V C 3.240 179.320 176.094 -0.023 0.000 1.047 66 V CA 2.051 64.356 62.300 0.010 0.000 1.035 66 V CB -1.549 30.209 31.823 -0.108 0.000 0.658 66 V HN 0.881 nan 8.190 nan 0.000 0.452 67 T N -1.892 112.639 114.554 -0.039 0.000 2.867 67 T HA -0.299 4.051 4.350 -0.000 0.000 0.268 67 T C 1.907 176.660 174.700 0.089 0.000 1.057 67 T CA 1.784 63.898 62.100 0.024 0.000 1.136 67 T CB -0.670 68.240 68.868 0.070 0.000 0.874 67 T HN 0.671 nan 8.240 nan 0.000 0.466 68 H N 1.154 120.238 119.070 0.023 0.000 2.357 68 H HA 0.037 4.593 4.556 -0.000 0.000 0.301 68 H C 2.167 177.497 175.328 0.004 0.000 1.082 68 H CA 1.511 57.572 56.048 0.023 0.000 1.342 68 H CB -0.274 29.503 29.762 0.024 0.000 1.389 68 H HN 0.434 nan 8.280 nan 0.000 0.511 69 I N 0.327 120.855 120.570 -0.072 0.000 2.179 69 I HA -0.332 3.838 4.170 -0.000 0.000 0.242 69 I C 2.810 178.867 176.117 -0.100 0.000 1.088 69 I CA 1.238 62.440 61.300 -0.162 0.000 1.357 69 I CB -0.315 37.665 38.000 -0.034 0.000 1.051 69 I HN 0.337 nan 8.210 nan 0.000 0.409 70 C N 0.200 119.504 119.300 0.006 0.000 2.446 70 C HA -0.049 4.411 4.460 -0.000 0.000 0.279 70 C C 2.768 177.838 174.990 0.132 0.000 1.366 70 C CA 0.671 59.772 59.018 0.137 0.000 1.763 70 C CB -1.231 26.623 27.740 0.191 0.000 1.929 70 C HN 0.434 nan 8.230 nan 0.000 0.509 71 R N -0.091 120.428 120.500 0.031 0.000 2.167 71 R HA 0.055 4.395 4.340 -0.000 0.000 0.201 71 R C 1.062 177.337 176.300 -0.043 0.000 1.024 71 R CA 0.780 56.889 56.100 0.016 0.000 1.053 71 R CB -0.014 30.306 30.300 0.033 0.000 0.987 71 R HN 0.417 nan 8.270 nan 0.000 0.493 72 D N -0.189 120.110 120.400 -0.168 0.000 2.454 72 D HA 0.082 4.722 4.640 -0.000 0.000 0.214 72 D C -0.024 176.122 176.300 -0.257 0.000 1.088 72 D CA 0.253 54.138 54.000 -0.191 0.000 0.855 72 D CB 0.818 41.541 40.800 -0.129 0.000 1.025 72 D HN -0.133 nan 8.370 nan 0.000 0.502 73 V N 3.189 122.871 119.914 -0.386 0.000 2.508 73 V HA 0.033 4.153 4.120 -0.000 0.000 0.281 73 V C 0.488 176.481 176.094 -0.168 0.000 1.041 73 V CA -0.675 61.426 62.300 -0.331 0.000 1.016 73 V CB 0.638 32.139 31.823 -0.537 0.000 0.984 73 V HN 0.089 nan 8.190 nan 0.000 0.478 74 N N 4.965 123.607 118.700 -0.097 0.000 2.411 74 N HA -0.009 4.731 4.740 -0.000 0.000 0.265 74 N C 0.234 175.715 175.510 -0.049 0.000 1.266 74 N CA 0.335 53.328 53.050 -0.096 0.000 0.889 74 N CB -0.161 38.349 38.487 0.039 0.000 1.069 74 N HN 0.763 nan 8.380 nan 0.000 0.476 75 Y N -1.223 119.019 120.300 -0.097 0.000 4.753 75 Y HA -0.271 4.279 4.550 -0.000 0.000 0.232 75 Y C 1.787 177.424 175.900 -0.438 0.000 1.029 75 Y CA 0.853 58.728 58.100 -0.376 0.000 1.996 75 Y CB -1.835 36.439 38.460 -0.311 0.000 1.602 75 Y HN 0.710 nan 8.280 nan 0.000 0.621 76 G N 0.505 109.210 108.800 -0.158 0.000 2.442 76 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.219 76 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.219 76 G C 1.381 176.241 174.900 -0.067 0.000 1.141 76 G CA 1.038 46.066 45.100 -0.120 0.000 0.763 76 G HN 0.779 nan 8.290 nan 0.000 0.554 77 W N 0.520 121.840 121.300 0.034 0.000 2.358 77 W HA 0.051 4.711 4.660 -0.000 0.000 0.303 77 W C 1.974 178.627 176.519 0.223 0.000 1.208 77 W CA 0.584 58.017 57.345 0.147 0.000 1.274 77 W CB -1.111 28.460 29.460 0.185 0.000 1.138 77 W HN 0.231 nan 8.180 nan 0.000 0.515 78 I N 1.117 121.187 120.570 -0.833 0.000 2.315 78 I HA -0.246 3.924 4.170 -0.000 0.000 0.248 78 I C 2.543 178.530 176.117 -0.217 0.000 1.117 78 I CA 1.398 62.298 61.300 -0.667 0.000 1.404 78 I CB -0.188 37.123 38.000 -1.148 0.000 1.071 78 I HN -0.176 nan 8.210 nan 0.000 0.419 79 I N 0.162 120.606 120.570 -0.210 0.000 2.286 79 I HA -0.236 3.934 4.170 -0.000 0.000 0.245 79 I C 2.648 178.748 176.117 -0.028 0.000 1.104 79 I CA 0.718 61.958 61.300 -0.100 0.000 1.397 79 I CB -0.550 37.402 38.000 -0.080 0.000 1.072 79 I HN 0.222 nan 8.210 nan 0.000 0.417 80 R N 0.951 121.411 120.500 -0.066 0.000 2.073 80 R HA -0.197 4.143 4.340 -0.000 0.000 0.234 80 R C 2.215 178.404 176.300 -0.185 0.000 1.134 80 R CA 1.993 58.004 56.100 -0.150 0.000 0.952 80 R CB -0.650 29.482 30.300 -0.280 0.000 0.850 80 R HN 0.297 nan 8.270 nan 0.000 0.433 81 Y N -0.042 120.352 120.300 0.158 0.000 2.439 81 Y HA -0.001 4.549 4.550 -0.000 0.000 0.292 81 Y C 2.431 178.418 175.900 0.146 0.000 1.130 81 Y CA 0.978 59.186 58.100 0.179 0.000 1.254 81 Y CB -0.246 38.353 38.460 0.232 0.000 1.000 81 Y HN 0.011 nan 8.280 nan 0.000 0.554 82 M N -1.588 118.123 119.600 0.185 0.000 2.156 82 M HA -0.205 4.275 4.480 -0.000 0.000 0.264 82 M C 2.027 178.411 176.300 0.140 0.000 1.067 82 M CA 1.627 57.005 55.300 0.130 0.000 1.131 82 M CB -0.333 32.299 32.600 0.054 0.000 1.368 82 M HN 0.275 nan 8.290 nan 0.000 0.416 83 H N 0.143 119.238 119.070 0.042 0.000 2.321 83 H HA -0.034 4.522 4.556 -0.000 0.000 0.300 83 H C 1.913 177.297 175.328 0.093 0.000 1.087 83 H CA 2.149 58.228 56.048 0.052 0.000 1.319 83 H CB 0.036 29.815 29.762 0.029 0.000 1.379 83 H HN 0.332 nan 8.280 nan 0.000 0.501 84 A N 0.428 123.343 122.820 0.159 0.000 1.873 84 A HA -0.174 4.146 4.320 -0.000 0.000 0.215 84 A C 2.203 179.898 177.584 0.186 0.000 1.186 84 A CA 1.687 53.819 52.037 0.158 0.000 0.616 84 A CB -0.392 18.721 19.000 0.187 0.000 0.823 84 A HN 0.545 nan 8.150 nan 0.000 0.442 85 N N -0.082 118.748 118.700 0.217 0.000 2.396 85 N HA -0.077 4.663 4.740 -0.000 0.000 0.180 85 N C 1.761 177.380 175.510 0.180 0.000 1.028 85 N CA 1.033 54.220 53.050 0.228 0.000 0.893 85 N CB -0.303 38.321 38.487 0.228 0.000 0.967 85 N HN 0.505 nan 8.380 nan 0.000 0.440 86 G N 1.037 109.903 108.800 0.109 0.000 2.402 86 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.216 86 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.216 86 G C 1.684 176.632 174.900 0.081 0.000 1.162 86 G CA 0.917 46.051 45.100 0.056 0.000 0.777 86 G HN 0.369 nan 8.290 nan 0.000 0.539 87 A N 0.706 123.559 122.820 0.055 0.000 1.933 87 A HA 0.002 4.322 4.320 -0.000 0.000 0.218 87 A C 2.691 180.363 177.584 0.148 0.000 1.175 87 A CA 2.273 54.344 52.037 0.058 0.000 0.628 87 A CB -0.602 18.411 19.000 0.022 0.000 0.814 87 A HN 0.307 nan 8.150 nan 0.000 0.444 88 S N -0.639 115.240 115.700 0.297 0.000 2.368 88 S HA -0.118 4.352 4.470 -0.000 0.000 0.224 88 S C 2.038 176.936 174.600 0.495 0.000 1.029 88 S CA 1.586 60.116 58.200 0.550 0.000 0.988 88 S CB -0.295 63.365 63.200 0.766 0.000 0.838 88 S HN 0.475 nan 8.310 nan 0.000 0.462 89 M N 0.278 120.066 119.600 0.313 0.000 2.159 89 M HA -0.012 4.468 4.480 -0.000 0.000 0.263 89 M C 1.831 178.242 176.300 0.185 0.000 1.063 89 M CA 1.147 56.586 55.300 0.231 0.000 1.110 89 M CB -1.437 31.242 32.600 0.132 0.000 1.374 89 M HN 0.279 nan 8.290 nan 0.000 0.411 90 F N 0.642 120.551 119.950 -0.068 0.000 2.069 90 F HA -0.207 4.320 4.527 -0.000 0.000 0.298 90 F C 2.130 177.684 175.800 -0.411 0.000 1.113 90 F CA 1.436 59.275 58.000 -0.267 0.000 1.214 90 F CB -0.879 37.865 39.000 -0.426 0.000 0.978 90 F HN -0.003 nan 8.300 nan 0.000 0.474 91 F N -0.183 119.688 119.950 -0.132 0.000 2.234 91 F HA -0.152 4.375 4.527 -0.000 0.000 0.299 91 F C 2.431 178.044 175.800 -0.312 0.000 1.087 91 F CA 1.113 58.808 58.000 -0.507 0.000 1.340 91 F CB -0.624 37.818 39.000 -0.931 0.000 1.031 91 F HN -0.088 nan 8.300 nan 0.000 0.500 92 I N -1.176 119.564 120.570 0.284 0.000 2.226 92 I HA -0.347 3.823 4.170 -0.000 0.000 0.245 92 I C 2.309 178.517 176.117 0.152 0.000 1.100 92 I CA 0.990 62.498 61.300 0.346 0.000 1.374 92 I CB -0.531 37.689 38.000 0.368 0.000 1.057 92 I HN 0.216 nan 8.210 nan 0.000 0.413 93 C N 0.373 119.758 119.300 0.142 0.000 2.440 93 C HA -0.110 4.350 4.460 -0.000 0.000 0.278 93 C C 2.719 177.738 174.990 0.047 0.000 1.295 93 C CA 0.399 59.511 59.018 0.156 0.000 1.738 93 C CB -0.911 26.973 27.740 0.240 0.000 1.987 93 C HN 0.446 nan 8.230 nan 0.000 0.492 94 L N -0.385 120.819 121.223 -0.031 0.000 1.989 94 L HA -0.189 4.151 4.340 -0.000 0.000 0.211 94 L C 2.642 179.563 176.870 0.085 0.000 1.071 94 L CA 1.792 56.597 54.840 -0.058 0.000 0.749 94 L CB -0.688 41.172 42.059 -0.332 0.000 0.890 94 L HN 0.310 nan 8.230 nan 0.000 0.431 95 Y N -1.085 119.275 120.300 0.101 0.000 2.274 95 Y HA -0.229 4.321 4.550 -0.000 0.000 0.290 95 Y C 2.575 178.484 175.900 0.015 0.000 1.145 95 Y CA 0.673 58.813 58.100 0.068 0.000 1.203 95 Y CB -0.648 37.874 38.460 0.104 0.000 0.984 95 Y HN 0.171 nan 8.280 nan 0.000 0.533 96 M N -1.151 118.486 119.600 0.062 0.000 2.099 96 M HA -0.199 4.281 4.480 -0.000 0.000 0.262 96 M C 2.150 178.437 176.300 -0.021 0.000 1.067 96 M CA 1.770 56.991 55.300 -0.132 0.000 1.124 96 M CB -1.550 30.503 32.600 -0.911 0.000 1.353 96 M HN 0.326 nan 8.290 nan 0.000 0.410 97 H N 0.663 119.691 119.070 -0.070 0.000 2.319 97 H HA -0.097 4.459 4.556 -0.000 0.000 0.299 97 H C 1.960 177.353 175.328 0.110 0.000 1.092 97 H CA 2.162 58.262 56.048 0.087 0.000 1.302 97 H CB -0.104 29.736 29.762 0.131 0.000 1.373 97 H HN 0.065 nan 8.280 nan 0.000 0.497 98 V N -0.074 119.942 119.914 0.170 0.000 2.358 98 V HA -0.183 3.937 4.120 -0.000 0.000 0.246 98 V C 2.734 178.938 176.094 0.183 0.000 1.047 98 V CA 1.772 64.165 62.300 0.154 0.000 1.035 98 V CB -1.203 30.710 31.823 0.152 0.000 0.658 98 V HN 0.724 nan 8.190 nan 0.000 0.452 99 G N 0.125 108.994 108.800 0.116 0.000 2.440 99 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.218 99 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.218 99 G C 1.727 176.621 174.900 -0.009 0.000 1.154 99 G CA 0.908 46.070 45.100 0.102 0.000 0.767 99 G HN 0.333 nan 8.290 nan 0.000 0.552 100 R N 1.248 121.689 120.500 -0.098 0.000 2.083 100 R HA -0.067 4.273 4.340 -0.000 0.000 0.237 100 R C 2.704 178.966 176.300 -0.064 0.000 1.137 100 R CA 2.120 58.130 56.100 -0.150 0.000 0.951 100 R CB -1.388 28.838 30.300 -0.124 0.000 0.851 100 R HN 0.283 nan 8.270 nan 0.000 0.434 101 G N 1.241 110.038 108.800 -0.004 0.000 2.442 101 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.219 101 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.219 101 G C 1.785 176.720 174.900 0.059 0.000 1.141 101 G CA 0.760 45.916 45.100 0.092 0.000 0.763 101 G HN 0.319 nan 8.290 nan 0.000 0.554 102 L N -1.352 119.975 121.223 0.173 0.000 2.044 102 L HA -0.004 4.336 4.340 -0.000 0.000 0.205 102 L C 2.569 179.430 176.870 -0.015 0.000 1.075 102 L CA 1.091 56.046 54.840 0.192 0.000 0.747 102 L CB -0.481 41.740 42.059 0.270 0.000 0.903 102 L HN 0.258 nan 8.230 nan 0.000 0.435 103 Y N -0.403 119.608 120.300 -0.482 0.000 2.242 103 Y HA -0.257 4.293 4.550 -0.000 0.000 0.291 103 Y C 1.996 177.382 175.900 -0.858 0.000 1.137 103 Y CA 1.550 59.035 58.100 -1.026 0.000 1.181 103 Y CB -0.081 37.340 38.460 -1.731 0.000 0.989 103 Y HN 0.071 nan 8.280 nan 0.000 0.527 104 Y N -0.369 119.852 120.300 -0.131 0.000 2.466 104 Y HA 0.278 4.828 4.550 -0.000 0.000 0.272 104 Y C 1.836 177.552 175.900 -0.307 0.000 1.169 104 Y CA 0.233 58.260 58.100 -0.121 0.000 1.285 104 Y CB 0.045 38.554 38.460 0.082 0.000 1.078 104 Y HN 0.195 nan 8.280 nan 0.000 0.523 105 G N -0.660 107.876 108.800 -0.441 0.000 2.147 105 G HA2 -0.333 3.627 3.960 -0.000 0.000 0.244 105 G HA3 -0.333 3.627 3.960 -0.000 0.000 0.244 105 G C 1.238 175.471 174.900 -1.111 0.000 1.005 105 G CA 0.626 45.130 45.100 -0.993 0.000 0.713 105 G HN 0.348 nan 8.290 nan 0.000 0.515 106 S N -0.389 114.884 115.700 -0.712 0.000 2.419 106 S HA -0.110 4.360 4.470 -0.000 0.000 0.233 106 S C 1.933 176.166 174.600 -0.611 0.000 1.016 106 S CA 1.754 59.612 58.200 -0.570 0.000 0.974 106 S CB -0.431 62.669 63.200 -0.167 0.000 0.786 106 S HN 1.020 nan 8.310 nan 0.000 0.492 107 Y N 2.416 122.340 120.300 -0.626 0.000 2.556 107 Y HA -0.067 4.483 4.550 -0.000 0.000 0.290 107 Y C 2.205 177.783 175.900 -0.537 0.000 1.149 107 Y CA 0.849 58.381 58.100 -0.947 0.000 1.329 107 Y CB -2.144 35.057 38.460 -2.099 0.000 0.975 107 Y HN 0.289 nan 8.280 nan 0.000 0.561 108 T N -3.506 110.680 114.554 -0.613 0.000 3.072 108 T HA -0.076 4.274 4.350 -0.000 0.000 0.266 108 T C 0.246 174.887 174.700 -0.099 0.000 1.127 108 T CA 0.048 61.937 62.100 -0.351 0.000 1.107 108 T CB -0.779 67.790 68.868 -0.499 0.000 0.910 108 T HN 0.136 nan 8.240 nan 0.000 0.513 109 F N 2.607 122.527 119.950 -0.049 0.000 2.619 109 F HA 0.464 4.991 4.527 -0.000 0.000 0.350 109 F C 1.387 177.242 175.800 0.091 0.000 1.259 109 F CA -2.272 55.751 58.000 0.037 0.000 1.204 109 F CB -0.803 38.243 39.000 0.077 0.000 1.556 109 F HN 0.055 nan 8.300 nan 0.000 0.650 110 L N 0.261 121.617 121.223 0.221 0.000 1.997 110 L HA -0.277 4.063 4.340 -0.000 0.000 0.216 110 L C 2.049 179.003 176.870 0.141 0.000 1.074 110 L CA 1.616 56.563 54.840 0.178 0.000 0.763 110 L CB -0.379 41.739 42.059 0.099 0.000 0.890 110 L HN 0.284 nan 8.230 nan 0.000 0.434 111 E N -0.255 119.933 120.200 -0.021 0.000 2.051 111 E HA -0.156 4.194 4.350 -0.000 0.000 0.192 111 E C 2.171 178.660 176.600 -0.185 0.000 0.991 111 E CA 1.750 57.953 56.400 -0.328 0.000 0.799 111 E CB -0.580 28.549 29.700 -0.952 0.000 0.748 111 E HN 0.353 nan 8.360 nan 0.000 0.449 112 T N 0.505 115.087 114.554 0.046 0.000 2.746 112 T HA -0.172 4.178 4.350 -0.000 0.000 0.267 112 T C 1.298 176.242 174.700 0.406 0.000 1.039 112 T CA 1.161 63.402 62.100 0.234 0.000 1.142 112 T CB -0.353 68.645 68.868 0.217 0.000 0.866 112 T HN 0.397 nan 8.240 nan 0.000 0.444 113 W N 2.337 123.752 121.300 0.192 0.000 2.379 113 W HA -0.126 4.534 4.660 -0.000 0.000 0.307 113 W C 1.693 178.284 176.519 0.120 0.000 1.200 113 W CA 0.875 58.331 57.345 0.185 0.000 1.297 113 W CB -0.373 29.188 29.460 0.169 0.000 1.140 113 W HN 0.212 nan 8.180 nan 0.000 0.507 114 N N 0.997 119.808 118.700 0.184 0.000 2.188 114 N HA -0.161 4.579 4.740 -0.000 0.000 0.184 114 N C 1.750 177.232 175.510 -0.046 0.000 1.018 114 N CA 1.833 54.900 53.050 0.029 0.000 0.858 114 N CB -0.771 37.755 38.487 0.065 0.000 0.989 114 N HN 0.282 nan 8.380 nan 0.000 0.426 115 I N 0.532 121.102 120.570 -0.001 0.000 2.315 115 I HA -0.142 4.028 4.170 -0.000 0.000 0.248 115 I C 2.385 178.433 176.117 -0.115 0.000 1.117 115 I CA 1.021 62.321 61.300 -0.000 0.000 1.404 115 I CB -0.549 37.525 38.000 0.124 0.000 1.071 115 I HN 0.123 nan 8.210 nan 0.000 0.419 116 G N 0.675 109.386 108.800 -0.148 0.000 2.446 116 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.217 116 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.217 116 G C 1.704 176.406 174.900 -0.329 0.000 1.168 116 G CA 1.035 45.927 45.100 -0.346 0.000 0.771 116 G HN 0.250 nan 8.290 nan 0.000 0.551 117 V N 1.159 120.854 119.914 -0.366 0.000 2.332 117 V HA -0.184 3.936 4.120 -0.000 0.000 0.248 117 V C 2.782 178.786 176.094 -0.148 0.000 1.055 117 V CA 1.649 63.781 62.300 -0.280 0.000 1.038 117 V CB -0.389 31.291 31.823 -0.238 0.000 0.651 117 V HN 0.412 nan 8.190 nan 0.000 0.450 118 I N -0.677 119.821 120.570 -0.120 0.000 2.315 118 I HA -0.237 3.933 4.170 -0.000 0.000 0.248 118 I C 2.304 178.365 176.117 -0.093 0.000 1.117 118 I CA 1.418 62.672 61.300 -0.076 0.000 1.404 118 I CB -0.263 37.706 38.000 -0.050 0.000 1.071 118 I HN 0.265 nan 8.210 nan 0.000 0.419 119 L N -0.209 120.930 121.223 -0.141 0.000 2.046 119 L HA -0.229 4.111 4.340 -0.000 0.000 0.208 119 L C 2.535 179.312 176.870 -0.155 0.000 1.077 119 L CA 0.921 55.666 54.840 -0.157 0.000 0.747 119 L CB -0.466 41.456 42.059 -0.228 0.000 0.896 119 L HN 0.277 nan 8.230 nan 0.000 0.432 120 L N -0.157 120.982 121.223 -0.140 0.000 2.017 120 L HA -0.213 4.127 4.340 -0.000 0.000 0.208 120 L C 2.294 179.149 176.870 -0.026 0.000 1.073 120 L CA 1.795 56.580 54.840 -0.090 0.000 0.745 120 L CB -0.438 41.596 42.059 -0.042 0.000 0.894 120 L HN 0.103 nan 8.230 nan 0.000 0.432 121 L N -1.305 119.908 121.223 -0.017 0.000 2.093 121 L HA -0.187 4.153 4.340 -0.000 0.000 0.208 121 L C 2.273 179.147 176.870 0.007 0.000 1.085 121 L CA 1.642 56.491 54.840 0.014 0.000 0.755 121 L CB -0.944 41.117 42.059 0.002 0.000 0.904 121 L HN 0.281 nan 8.230 nan 0.000 0.435 122 T N -0.992 113.540 114.554 -0.036 0.000 2.857 122 T HA -0.110 4.240 4.350 -0.000 0.000 0.266 122 T C 1.989 176.648 174.700 -0.068 0.000 1.048 122 T CA 1.016 63.091 62.100 -0.042 0.000 1.139 122 T CB -0.098 68.733 68.868 -0.061 0.000 0.874 122 T HN 0.044 nan 8.240 nan 0.000 0.455 123 V N 1.531 121.350 119.914 -0.159 0.000 2.427 123 V HA -0.130 3.990 4.120 -0.000 0.000 0.248 123 V C 2.459 178.517 176.094 -0.060 0.000 1.051 123 V CA 1.471 63.580 62.300 -0.319 0.000 1.048 123 V CB -0.577 30.798 31.823 -0.745 0.000 0.666 123 V HN 0.483 nan 8.190 nan 0.000 0.456 124 M N -0.193 119.494 119.600 0.145 0.000 2.086 124 M HA -0.168 4.312 4.480 -0.000 0.000 0.261 124 M C 2.402 178.940 176.300 0.397 0.000 1.067 124 M CA 2.213 57.787 55.300 0.456 0.000 1.116 124 M CB -0.587 32.234 32.600 0.368 0.000 1.348 124 M HN 0.398 nan 8.290 nan 0.000 0.407 125 A N -0.181 122.776 122.820 0.228 0.000 1.902 125 A HA -0.150 4.170 4.320 -0.000 0.000 0.217 125 A C 2.183 179.929 177.584 0.270 0.000 1.181 125 A CA 2.243 54.439 52.037 0.265 0.000 0.623 125 A CB -1.142 17.938 19.000 0.133 0.000 0.818 125 A HN 0.464 nan 8.150 nan 0.000 0.443 126 T N 0.267 114.924 114.554 0.171 0.000 2.674 126 T HA -0.030 4.320 4.350 -0.000 0.000 0.265 126 T C 2.247 177.132 174.700 0.307 0.000 1.039 126 T CA 1.716 63.923 62.100 0.178 0.000 1.150 126 T CB -0.482 68.389 68.868 0.006 0.000 0.864 126 T HN 0.598 nan 8.240 nan 0.000 0.427 127 A N 1.313 124.292 122.820 0.265 0.000 1.933 127 A HA -0.021 4.299 4.320 -0.000 0.000 0.218 127 A C 2.012 179.804 177.584 0.347 0.000 1.175 127 A CA 1.457 53.660 52.037 0.277 0.000 0.628 127 A CB -0.914 18.229 19.000 0.239 0.000 0.814 127 A HN 0.517 nan 8.150 nan 0.000 0.444 128 F N 0.624 120.778 119.950 0.340 0.000 2.069 128 F HA -0.187 4.340 4.527 -0.000 0.000 0.298 128 F C 2.136 178.091 175.800 0.258 0.000 1.113 128 F CA 2.077 60.293 58.000 0.360 0.000 1.214 128 F CB -0.633 38.538 39.000 0.284 0.000 0.978 128 F HN 0.175 nan 8.300 nan 0.000 0.474 129 M N 0.371 119.673 119.600 -0.497 0.000 2.159 129 M HA -0.074 4.405 4.480 -0.000 0.000 0.263 129 M C 2.481 178.573 176.300 -0.346 0.000 1.063 129 M CA 1.616 56.547 55.300 -0.615 0.000 1.110 129 M CB -1.277 31.070 32.600 -0.422 0.000 1.374 129 M HN 0.384 nan 8.290 nan 0.000 0.411 130 G N -0.849 107.655 108.800 -0.494 0.000 2.422 130 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.218 130 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.218 130 G C 1.301 176.080 174.900 -0.201 0.000 1.146 130 G CA 0.473 45.016 45.100 -0.929 0.000 0.769 130 G HN 0.389 nan 8.290 nan 0.000 0.547 131 Y N 1.180 121.403 120.300 -0.128 0.000 2.403 131 Y HA -0.023 4.527 4.550 0.000 0.000 0.291 131 Y C 2.668 178.590 175.900 0.036 0.000 1.143 131 Y CA 0.512 58.612 58.100 0.000 0.000 1.257 131 Y CB -0.000 38.523 38.460 0.106 0.000 0.984 131 Y HN 0.063 nan 8.280 nan 0.000 0.550 132 V N -0.187 119.746 119.914 0.033 0.000 2.719 132 V HA -0.266 3.854 4.120 -0.000 0.000 0.252 132 V C 2.373 178.569 176.094 0.170 0.000 1.065 132 V CA 1.285 63.642 62.300 0.095 0.000 1.086 132 V CB -0.619 31.342 31.823 0.229 0.000 0.700 132 V HN 0.362 nan 8.190 nan 0.000 0.467 133 L N 0.819 122.067 121.223 0.042 0.000 2.081 133 L HA -0.139 4.201 4.340 -0.000 0.000 0.212 133 L C 0.006 176.960 176.870 0.141 0.000 1.080 133 L CA 1.710 56.555 54.840 0.008 0.000 0.754 133 L CB -2.091 39.735 42.059 -0.388 0.000 0.893 133 L HN 0.396 nan 8.230 nan 0.000 0.433 134 P HA -0.232 nan 4.420 nan 0.000 0.229 134 P C 0.397 177.917 177.300 0.367 0.000 1.160 134 P CA 0.716 63.890 63.100 0.123 0.000 0.777 134 P CB -0.090 31.565 31.700 -0.075 0.000 0.814 135 W N 0.221 121.555 121.300 0.056 0.000 5.158 135 W HA -0.143 4.517 4.660 -0.000 0.000 0.393 135 W C -0.029 176.590 176.519 0.166 0.000 1.508 135 W CA 0.018 57.419 57.345 0.093 0.000 0.901 135 W CB -1.383 28.141 29.460 0.105 0.000 2.676 135 W HN -0.054 nan 8.180 nan 0.000 1.392 136 G N 0.498 109.376 108.800 0.131 0.000 2.532 136 G HA2 0.205 4.165 3.960 -0.000 0.000 0.291 136 G HA3 0.205 4.165 3.960 -0.000 0.000 0.291 136 G C 0.567 175.411 174.900 -0.094 0.000 1.349 136 G CA 0.040 45.207 45.100 0.112 0.000 1.038 136 G HN 0.205 nan 8.290 nan 0.000 0.518 137 Q N -0.957 118.834 119.800 -0.014 0.000 2.079 137 Q HA -0.075 4.265 4.340 -0.000 0.000 0.200 137 Q C 2.725 178.818 176.000 0.156 0.000 0.974 137 Q CA 1.056 56.903 55.803 0.072 0.000 0.840 137 Q CB -0.210 28.627 28.738 0.165 0.000 0.898 137 Q HN 0.432 nan 8.270 nan 0.000 0.430 138 M N 0.068 119.716 119.600 0.080 0.000 2.175 138 M HA -0.074 4.406 4.480 -0.000 0.000 0.264 138 M C 2.182 178.462 176.300 -0.033 0.000 1.063 138 M CA 1.043 56.407 55.300 0.106 0.000 1.119 138 M CB -1.065 31.622 32.600 0.145 0.000 1.377 138 M HN 0.008 nan 8.290 nan 0.000 0.415 139 S N 0.740 116.284 115.700 -0.259 0.000 2.353 139 S HA -0.164 4.306 4.470 -0.000 0.000 0.222 139 S C 1.792 176.269 174.600 -0.205 0.000 1.035 139 S CA 1.383 59.438 58.200 -0.242 0.000 1.025 139 S CB -0.627 62.467 63.200 -0.177 0.000 0.902 139 S HN 0.420 nan 8.310 nan 0.000 0.440 140 F N 0.640 120.229 119.950 -0.602 0.000 2.102 140 F HA -0.090 4.437 4.527 -0.000 0.000 0.298 140 F C 1.839 177.183 175.800 -0.761 0.000 1.105 140 F CA 1.368 58.787 58.000 -0.968 0.000 1.239 140 F CB -0.325 37.844 39.000 -1.384 0.000 0.991 140 F HN 0.226 nan 8.300 nan 0.000 0.474 141 W N -0.072 121.240 121.300 0.020 0.000 2.518 141 W HA 0.096 4.756 4.660 -0.000 0.000 0.273 141 W C 2.568 179.115 176.519 0.046 0.000 1.247 141 W CA 0.841 58.206 57.345 0.033 0.000 1.288 141 W CB -1.053 28.459 29.460 0.087 0.000 1.107 141 W HN 0.079 nan 8.180 nan 0.000 0.586 142 G N 0.550 109.494 108.800 0.240 0.000 2.404 142 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.215 142 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.215 142 G C 1.695 176.819 174.900 0.373 0.000 1.174 142 G CA 1.351 46.643 45.100 0.319 0.000 0.780 142 G HN 0.262 nan 8.290 nan 0.000 0.537 143 A N 0.236 123.256 122.820 0.333 0.000 1.940 143 A HA -0.041 4.279 4.320 -0.000 0.000 0.219 143 A C 2.524 180.263 177.584 0.258 0.000 1.176 143 A CA 2.538 54.834 52.037 0.431 0.000 0.631 143 A CB -0.926 18.110 19.000 0.061 0.000 0.814 143 A HN 0.319 nan 8.150 nan 0.000 0.446 144 T N -0.532 114.002 114.554 -0.034 0.000 2.701 144 T HA -0.099 4.251 4.350 -0.000 0.000 0.263 144 T C 1.924 176.805 174.700 0.303 0.000 1.040 144 T CA 1.606 63.745 62.100 0.065 0.000 1.147 144 T CB -0.473 68.359 68.868 -0.060 0.000 0.865 144 T HN 0.152 nan 8.240 nan 0.000 0.426 145 V N 1.333 121.393 119.914 0.244 0.000 2.261 145 V HA -0.121 3.998 4.120 -0.000 0.000 0.246 145 V C 2.418 178.569 176.094 0.096 0.000 1.047 145 V CA 1.531 63.943 62.300 0.187 0.000 1.015 145 V CB -0.603 31.319 31.823 0.164 0.000 0.642 145 V HN 0.446 nan 8.190 nan 0.000 0.446 146 I N 0.001 120.575 120.570 0.007 0.000 2.226 146 I HA -0.223 3.947 4.170 -0.000 0.000 0.245 146 I C 2.507 178.586 176.117 -0.064 0.000 1.100 146 I CA 1.850 63.026 61.300 -0.206 0.000 1.374 146 I CB -0.616 36.917 38.000 -0.778 0.000 1.057 146 I HN 0.319 nan 8.210 nan 0.000 0.413 147 T N 0.342 115.002 114.554 0.177 0.000 2.833 147 T HA -0.121 4.229 4.350 -0.000 0.000 0.269 147 T C 1.664 176.399 174.700 0.060 0.000 1.054 147 T CA 1.040 63.279 62.100 0.231 0.000 1.135 147 T CB -0.315 68.867 68.868 0.522 0.000 0.869 147 T HN 0.256 nan 8.240 nan 0.000 0.466 148 N N 1.117 119.885 118.700 0.115 0.000 2.520 148 N HA 0.085 4.825 4.740 -0.000 0.000 0.185 148 N C 1.606 177.115 175.510 -0.002 0.000 1.068 148 N CA 0.327 53.400 53.050 0.040 0.000 0.911 148 N CB -0.323 38.254 38.487 0.150 0.000 0.961 148 N HN 0.421 nan 8.380 nan 0.000 0.446 149 L N 0.153 121.368 121.223 -0.013 0.000 2.131 149 L HA -0.123 4.217 4.340 -0.000 0.000 0.210 149 L C 1.901 178.747 176.870 -0.040 0.000 1.092 149 L CA 0.738 55.556 54.840 -0.037 0.000 0.759 149 L CB -0.302 41.716 42.059 -0.067 0.000 0.903 149 L HN 0.145 nan 8.230 nan 0.000 0.435 150 L N -0.490 120.708 121.223 -0.042 0.000 2.362 150 L HA -0.125 4.215 4.340 -0.000 0.000 0.219 150 L C 2.666 179.504 176.870 -0.055 0.000 1.134 150 L CA 0.982 55.797 54.840 -0.041 0.000 0.807 150 L CB -0.492 41.549 42.059 -0.030 0.000 0.927 150 L HN 0.362 nan 8.230 nan 0.000 0.447 151 S N -0.177 115.485 115.700 -0.064 0.000 2.515 151 S HA -0.043 4.427 4.470 -0.000 0.000 0.231 151 S C 1.981 176.547 174.600 -0.057 0.000 0.987 151 S CA 0.585 58.748 58.200 -0.062 0.000 0.936 151 S CB -0.140 63.028 63.200 -0.054 0.000 0.766 151 S HN 0.328 nan 8.310 nan 0.000 0.528 152 A N 1.044 123.832 122.820 -0.055 0.000 2.168 152 A HA 0.365 4.685 4.320 -0.000 0.000 0.215 152 A C 0.889 178.423 177.584 -0.082 0.000 1.152 152 A CA 0.018 52.017 52.037 -0.064 0.000 0.716 152 A CB -0.598 18.370 19.000 -0.054 0.000 0.794 152 A HN 0.625 nan 8.150 nan 0.000 0.465 153 I N 1.480 122.005 120.570 -0.074 0.000 2.471 153 I HA 0.121 4.291 4.170 -0.000 0.000 0.286 153 I C -2.268 173.773 176.117 -0.127 0.000 1.079 153 I CA -1.932 59.321 61.300 -0.080 0.000 1.398 153 I CB 0.954 38.925 38.000 -0.047 0.000 1.403 153 I HN 0.026 nan 8.210 nan 0.000 0.530 154 P HA -0.012 nan 4.420 nan 0.000 0.265 154 P C -0.388 176.674 177.300 -0.396 0.000 1.193 154 P CA 0.542 63.351 63.100 -0.484 0.000 0.765 154 P CB 0.180 31.512 31.700 -0.614 0.000 0.823 155 Y N 0.839 121.128 120.300 -0.018 0.000 2.818 155 Y HA -0.349 4.200 4.550 -0.000 0.000 0.487 155 Y C 1.547 177.436 175.900 -0.019 0.000 1.146 155 Y CA 1.396 59.486 58.100 -0.017 0.000 2.839 155 Y CB -1.934 36.514 38.460 -0.020 0.000 0.893 155 Y HN 0.406 nan 8.280 nan 0.000 0.545 156 I N -2.180 118.453 120.570 0.105 0.000 4.057 156 I HA 0.459 4.629 4.170 -0.000 0.000 0.334 156 I C 2.074 178.192 176.117 0.002 0.000 1.308 156 I CA 0.716 62.042 61.300 0.044 0.000 1.125 156 I CB -0.189 37.825 38.000 0.024 0.000 1.034 156 I HN 0.244 nan 8.210 nan 0.000 0.401 157 G N 2.093 110.881 108.800 -0.020 0.000 2.553 157 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.218 157 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.218 157 G C 1.481 176.353 174.900 -0.046 0.000 1.195 157 G CA 2.041 47.117 45.100 -0.040 0.000 0.779 157 G HN 0.382 nan 8.290 nan 0.000 0.577 158 T N 1.124 115.658 114.554 -0.034 0.000 2.788 158 T HA -0.126 4.224 4.350 -0.000 0.000 0.268 158 T C 2.317 177.006 174.700 -0.018 0.000 1.044 158 T CA 1.274 63.353 62.100 -0.034 0.000 1.139 158 T CB -0.279 68.595 68.868 0.010 0.000 0.867 158 T HN 0.309 nan 8.240 nan 0.000 0.454 159 N N 1.161 119.870 118.700 0.016 0.000 2.166 159 N HA 0.006 4.746 4.740 -0.000 0.000 0.186 159 N C 1.935 177.478 175.510 0.056 0.000 1.019 159 N CA 0.884 53.959 53.050 0.043 0.000 0.856 159 N CB -0.342 38.161 38.487 0.027 0.000 0.993 159 N HN 0.349 nan 8.380 nan 0.000 0.426 160 L N 0.850 122.088 121.223 0.025 0.000 2.046 160 L HA -0.123 4.217 4.340 -0.000 0.000 0.208 160 L C 2.386 179.307 176.870 0.086 0.000 1.077 160 L CA 0.748 55.640 54.840 0.087 0.000 0.747 160 L CB -0.397 41.684 42.059 0.036 0.000 0.896 160 L HN -0.054 nan 8.230 nan 0.000 0.432 161 V N -0.018 119.823 119.914 -0.122 0.000 2.255 161 V HA -0.300 3.820 4.120 -0.000 0.000 0.247 161 V C 2.334 178.101 176.094 -0.544 0.000 1.051 161 V CA 2.021 64.049 62.300 -0.453 0.000 1.018 161 V CB -0.563 30.857 31.823 -0.671 0.000 0.641 161 V HN 0.491 nan 8.190 nan 0.000 0.445 162 E N -1.251 118.791 120.200 -0.263 0.000 2.153 162 E HA -0.273 4.077 4.350 -0.000 0.000 0.194 162 E C 1.925 178.576 176.600 0.086 0.000 0.988 162 E CA 1.521 57.900 56.400 -0.035 0.000 0.811 162 E CB -0.234 29.512 29.700 0.077 0.000 0.746 162 E HN 0.798 nan 8.360 nan 0.000 0.466 163 W N 1.651 122.915 121.300 -0.059 0.000 2.379 163 W HA -0.133 4.527 4.660 -0.000 0.000 0.307 163 W C 1.771 178.327 176.519 0.062 0.000 1.200 163 W CA 0.913 58.258 57.345 0.001 0.000 1.297 163 W CB -0.075 29.387 29.460 0.003 0.000 1.140 163 W HN -0.094 nan 8.180 nan 0.000 0.507 164 I N -0.168 120.419 120.570 0.029 0.000 2.179 164 I HA -0.302 3.868 4.170 -0.000 0.000 0.242 164 I C 2.052 178.227 176.117 0.096 0.000 1.088 164 I CA 1.538 62.816 61.300 -0.036 0.000 1.357 164 I CB -1.961 36.127 38.000 0.145 0.000 1.051 164 I HN 0.138 nan 8.210 nan 0.000 0.409 165 W N 0.868 122.151 121.300 -0.029 0.000 2.425 165 W HA 0.055 4.715 4.660 -0.000 0.000 0.277 165 W C 1.839 178.256 176.519 -0.171 0.000 1.231 165 W CA 1.406 58.687 57.345 -0.106 0.000 1.248 165 W CB -1.216 28.201 29.460 -0.072 0.000 1.117 165 W HN 0.451 nan 8.180 nan 0.000 0.568 166 G N 0.193 109.018 108.800 0.041 0.000 2.160 166 G HA2 0.100 4.060 3.960 -0.000 0.000 0.244 166 G HA3 0.100 4.060 3.960 -0.000 0.000 0.244 166 G C 0.412 175.260 174.900 -0.087 0.000 1.022 166 G CA 0.390 45.448 45.100 -0.070 0.000 0.741 166 G HN 0.771 nan 8.290 nan 0.000 0.508 167 G N -2.269 106.484 108.800 -0.079 0.000 2.325 167 G HA2 0.536 4.495 3.960 -0.000 0.000 0.295 167 G HA3 0.536 4.495 3.960 -0.000 0.000 0.295 167 G C -0.101 174.659 174.900 -0.233 0.000 1.274 167 G CA 0.074 44.998 45.100 -0.293 0.000 0.857 167 G HN 0.458 nan 8.290 nan 0.000 0.499 168 F N 1.723 121.825 119.950 0.255 0.000 2.765 168 F HA 0.473 5.000 4.527 -0.000 0.000 0.302 168 F C 1.420 177.461 175.800 0.400 0.000 1.111 168 F CA 0.120 58.313 58.000 0.322 0.000 1.359 168 F CB 0.341 39.458 39.000 0.195 0.000 1.097 168 F HN 0.602 nan 8.300 nan 0.000 0.577 169 S N -2.176 113.681 115.700 0.261 0.000 2.587 169 S HA 0.508 4.978 4.470 -0.000 0.000 0.269 169 S C -0.978 173.177 174.600 -0.742 0.000 1.154 169 S CA -1.169 56.822 58.200 -0.350 0.000 0.824 169 S CB 1.159 64.298 63.200 -0.101 0.000 1.118 169 S HN -0.248 nan 8.310 nan 0.000 0.462 170 V N 2.373 121.482 119.914 -1.343 0.000 2.493 170 V HA 0.373 4.493 4.120 -0.000 0.000 0.292 170 V C 0.175 176.068 176.094 -0.336 0.000 1.016 170 V CA 1.074 62.732 62.300 -1.071 0.000 1.097 170 V CB 0.305 31.307 31.823 -1.368 0.000 0.947 170 V HN 0.970 nan 8.190 nan 0.000 0.479 171 D N 2.647 122.948 120.400 -0.165 0.000 3.103 171 D HA 0.261 4.901 4.640 -0.000 0.000 0.337 171 D C 0.936 177.153 176.300 -0.138 0.000 1.356 171 D CA -0.713 53.293 54.000 0.009 0.000 0.951 171 D CB 1.114 41.896 40.800 -0.030 0.000 1.438 171 D HN 0.236 nan 8.370 nan 0.000 0.562 172 K N -0.053 120.251 120.400 -0.159 0.000 2.059 172 K HA -0.197 4.123 4.320 -0.000 0.000 0.212 172 K C 1.796 178.237 176.600 -0.265 0.000 1.050 172 K CA 1.964 58.096 56.287 -0.259 0.000 0.927 172 K CB -0.321 32.072 32.500 -0.178 0.000 0.714 172 K HN 0.356 nan 8.250 nan 0.000 0.447 173 A N 0.857 123.559 122.820 -0.197 0.000 1.978 173 A HA -0.167 4.153 4.320 -0.000 0.000 0.220 173 A C 2.208 179.646 177.584 -0.242 0.000 1.170 173 A CA 2.132 54.057 52.037 -0.186 0.000 0.636 173 A CB -0.854 18.064 19.000 -0.138 0.000 0.810 173 A HN 0.337 nan 8.150 nan 0.000 0.448 174 T N 0.021 114.396 114.554 -0.297 0.000 2.737 174 T HA -0.120 4.230 4.350 -0.000 0.000 0.265 174 T C 1.838 176.184 174.700 -0.590 0.000 1.038 174 T CA 1.431 63.252 62.100 -0.465 0.000 1.144 174 T CB -0.398 68.154 68.868 -0.527 0.000 0.866 174 T HN 0.298 nan 8.240 nan 0.000 0.434 175 L N 1.287 122.194 121.223 -0.527 0.000 2.017 175 L HA -0.088 4.252 4.340 -0.000 0.000 0.208 175 L C 2.498 179.241 176.870 -0.211 0.000 1.073 175 L CA 1.891 56.454 54.840 -0.462 0.000 0.745 175 L CB -1.318 40.241 42.059 -0.833 0.000 0.894 175 L HN 0.205 nan 8.230 nan 0.000 0.432 176 T N 0.425 114.845 114.554 -0.223 0.000 2.746 176 T HA -0.212 4.138 4.350 -0.000 0.000 0.267 176 T C 1.819 176.466 174.700 -0.089 0.000 1.039 176 T CA 1.762 63.804 62.100 -0.097 0.000 1.142 176 T CB -0.307 68.484 68.868 -0.128 0.000 0.866 176 T HN 0.548 nan 8.240 nan 0.000 0.444 177 R N 0.052 120.418 120.500 -0.224 0.000 2.148 177 R HA 0.036 4.376 4.340 -0.000 0.000 0.223 177 R C 1.820 177.783 176.300 -0.561 0.000 1.088 177 R CA 1.089 56.901 56.100 -0.480 0.000 0.985 177 R CB -0.686 29.292 30.300 -0.537 0.000 0.880 177 R HN 0.238 nan 8.270 nan 0.000 0.451 178 F N 0.778 120.496 119.950 -0.387 0.000 2.234 178 F HA -0.032 4.495 4.527 0.000 0.000 0.299 178 F C 2.005 177.832 175.800 0.045 0.000 1.087 178 F CA 0.002 57.908 58.000 -0.157 0.000 1.340 178 F CB -0.720 38.243 39.000 -0.062 0.000 1.031 178 F HN -0.024 nan 8.300 nan 0.000 0.500 179 F N 0.853 120.867 119.950 0.107 0.000 2.146 179 F HA -0.039 4.488 4.527 -0.000 0.000 0.298 179 F C 2.268 178.186 175.800 0.196 0.000 1.096 179 F CA 1.185 59.290 58.000 0.174 0.000 1.275 179 F CB -0.921 38.215 39.000 0.226 0.000 1.008 179 F HN -0.096 nan 8.300 nan 0.000 0.480 180 A N -0.019 122.748 122.820 -0.090 0.000 1.930 180 A HA -0.124 4.196 4.320 -0.000 0.000 0.217 180 A C 2.073 179.706 177.584 0.081 0.000 1.175 180 A CA 1.529 53.451 52.037 -0.192 0.000 0.627 180 A CB -1.332 17.541 19.000 -0.212 0.000 0.815 180 A HN 0.374 nan 8.150 nan 0.000 0.443 181 F N -0.670 119.327 119.950 0.079 0.000 2.146 181 F HA -0.045 4.482 4.527 -0.000 0.000 0.298 181 F C 2.209 178.067 175.800 0.096 0.000 1.096 181 F CA 1.148 59.183 58.000 0.059 0.000 1.275 181 F CB -1.460 37.541 39.000 0.001 0.000 1.008 181 F HN 0.469 nan 8.300 nan 0.000 0.480 182 H N -0.889 118.314 119.070 0.221 0.000 2.421 182 H HA -0.195 4.361 4.556 -0.000 0.000 0.298 182 H C 2.077 177.511 175.328 0.175 0.000 1.087 182 H CA 1.570 57.712 56.048 0.157 0.000 1.330 182 H CB -0.474 29.381 29.762 0.155 0.000 1.388 182 H HN 0.107 nan 8.280 nan 0.000 0.526 183 F N -0.366 119.580 119.950 -0.007 0.000 2.113 183 F HA -0.070 4.457 4.527 -0.000 0.000 0.297 183 F C 2.244 178.104 175.800 0.101 0.000 1.103 183 F CA 1.064 59.032 58.000 -0.053 0.000 1.248 183 F CB -0.476 38.360 39.000 -0.273 0.000 0.999 183 F HN 0.272 nan 8.300 nan 0.000 0.475 184 I N -0.373 120.450 120.570 0.422 0.000 2.584 184 I HA -0.102 4.068 4.170 -0.000 0.000 0.255 184 I C 2.097 178.378 176.117 0.273 0.000 1.145 184 I CA 1.031 62.558 61.300 0.379 0.000 1.462 184 I CB -0.597 37.524 38.000 0.202 0.000 1.102 184 I HN 0.116 nan 8.210 nan 0.000 0.433 185 L N 0.978 122.287 121.223 0.142 0.000 2.043 185 L HA -0.186 4.154 4.340 -0.000 0.000 0.212 185 L C -0.378 176.477 176.870 -0.025 0.000 1.075 185 L CA 1.683 56.550 54.840 0.045 0.000 0.752 185 L CB -1.648 40.419 42.059 0.013 0.000 0.891 185 L HN 0.208 nan 8.230 nan 0.000 0.432 186 P HA -0.168 nan 4.420 nan 0.000 0.218 186 P C 1.286 178.387 177.300 -0.333 0.000 1.148 186 P CA 1.453 64.379 63.100 -0.291 0.000 0.822 186 P CB 0.008 31.420 31.700 -0.480 0.000 0.784 187 F N -1.449 118.495 119.950 -0.010 0.000 2.206 187 F HA -0.040 4.487 4.527 -0.000 0.000 0.298 187 F C 2.231 178.034 175.800 0.005 0.000 1.090 187 F CA 0.964 58.968 58.000 0.006 0.000 1.323 187 F CB -1.023 37.995 39.000 0.031 0.000 1.028 187 F HN -0.167 nan 8.300 nan 0.000 0.492 188 I N -0.255 120.402 120.570 0.145 0.000 2.252 188 I HA -0.280 3.890 4.170 -0.000 0.000 0.245 188 I C 2.287 178.421 176.117 0.029 0.000 1.102 188 I CA 1.235 62.583 61.300 0.079 0.000 1.385 188 I CB -0.407 37.627 38.000 0.055 0.000 1.064 188 I HN 0.070 nan 8.210 nan 0.000 0.414 189 I N 0.193 120.756 120.570 -0.012 0.000 2.208 189 I HA -0.366 3.804 4.170 -0.000 0.000 0.245 189 I C 2.658 178.762 176.117 -0.021 0.000 1.097 189 I CA 1.601 62.879 61.300 -0.037 0.000 1.363 189 I CB -0.225 37.730 38.000 -0.074 0.000 1.051 189 I HN 0.325 nan 8.210 nan 0.000 0.413 190 M N 0.490 120.074 119.600 -0.026 0.000 2.117 190 M HA -0.203 4.277 4.480 -0.000 0.000 0.262 190 M C 2.426 178.739 176.300 0.023 0.000 1.065 190 M CA 2.146 57.439 55.300 -0.011 0.000 1.114 190 M CB -0.111 32.475 32.600 -0.023 0.000 1.361 190 M HN 0.257 nan 8.290 nan 0.000 0.408 191 A N 0.728 123.574 122.820 0.043 0.000 1.877 191 A HA -0.153 4.167 4.320 -0.000 0.000 0.216 191 A C 1.951 179.561 177.584 0.044 0.000 1.186 191 A CA 1.760 53.824 52.037 0.045 0.000 0.620 191 A CB -1.055 17.978 19.000 0.054 0.000 0.822 191 A HN 0.628 nan 8.150 nan 0.000 0.443 192 I N -0.249 120.345 120.570 0.040 0.000 2.361 192 I HA -0.257 3.913 4.170 -0.000 0.000 0.251 192 I C 2.865 179.025 176.117 0.071 0.000 1.133 192 I CA 0.930 62.260 61.300 0.049 0.000 1.413 192 I CB -0.285 37.726 38.000 0.018 0.000 1.073 192 I HN 0.360 nan 8.210 nan 0.000 0.424 193 A N 0.569 123.419 122.820 0.049 0.000 1.969 193 A HA -0.165 4.155 4.320 -0.000 0.000 0.218 193 A C 2.356 180.012 177.584 0.121 0.000 1.169 193 A CA 1.309 53.396 52.037 0.085 0.000 0.635 193 A CB -0.460 18.564 19.000 0.040 0.000 0.810 193 A HN 0.325 nan 8.150 nan 0.000 0.445 194 M N -0.804 118.833 119.600 0.062 0.000 2.175 194 M HA -0.112 4.368 4.480 -0.000 0.000 0.264 194 M C 2.027 178.340 176.300 0.021 0.000 1.063 194 M CA 1.204 56.517 55.300 0.021 0.000 1.119 194 M CB -0.333 32.268 32.600 0.001 0.000 1.377 194 M HN 0.252 nan 8.290 nan 0.000 0.415 195 V N -0.653 119.308 119.914 0.077 0.000 2.427 195 V HA -0.267 3.853 4.120 -0.000 0.000 0.248 195 V C 2.242 178.486 176.094 0.251 0.000 1.051 195 V CA 2.106 64.474 62.300 0.114 0.000 1.048 195 V CB -0.993 30.937 31.823 0.178 0.000 0.666 195 V HN 0.471 nan 8.190 nan 0.000 0.456 196 H N 0.162 119.317 119.070 0.142 0.000 2.352 196 H HA -0.152 4.404 4.556 -0.000 0.000 0.299 196 H C 2.036 177.439 175.328 0.126 0.000 1.097 196 H CA 1.993 58.140 56.048 0.166 0.000 1.311 196 H CB -0.196 29.633 29.762 0.111 0.000 1.377 196 H HN 0.314 nan 8.280 nan 0.000 0.504 197 L N -0.480 120.753 121.223 0.017 0.000 2.072 197 L HA -0.119 4.221 4.340 -0.000 0.000 0.205 197 L C 2.501 179.159 176.870 -0.353 0.000 1.079 197 L CA 0.809 55.530 54.840 -0.198 0.000 0.752 197 L CB -0.334 41.594 42.059 -0.218 0.000 0.906 197 L HN 0.323 nan 8.230 nan 0.000 0.436 198 L N -1.283 119.781 121.223 -0.264 0.000 2.042 198 L HA -0.266 4.074 4.340 -0.000 0.000 0.210 198 L C 2.524 179.247 176.870 -0.245 0.000 1.076 198 L CA 1.475 56.130 54.840 -0.309 0.000 0.749 198 L CB -0.581 41.298 42.059 -0.300 0.000 0.893 198 L HN 0.137 nan 8.230 nan 0.000 0.432 199 F N -0.514 119.382 119.950 -0.090 0.000 2.234 199 F HA -0.208 4.319 4.527 -0.000 0.000 0.299 199 F C 2.220 177.951 175.800 -0.114 0.000 1.087 199 F CA 1.116 59.079 58.000 -0.062 0.000 1.340 199 F CB -0.386 38.611 39.000 -0.006 0.000 1.031 199 F HN -0.013 nan 8.300 nan 0.000 0.500 200 L N -0.527 120.711 121.223 0.024 0.000 2.093 200 L HA -0.181 4.159 4.340 -0.000 0.000 0.208 200 L C 2.246 179.115 176.870 -0.002 0.000 1.085 200 L CA 1.978 56.777 54.840 -0.069 0.000 0.755 200 L CB -0.946 41.086 42.059 -0.045 0.000 0.904 200 L HN 0.224 nan 8.230 nan 0.000 0.435 201 H N -1.153 117.854 119.070 -0.104 0.000 2.521 201 H HA -0.066 4.490 4.556 -0.000 0.000 0.286 201 H C 1.523 176.792 175.328 -0.098 0.000 1.034 201 H CA 0.554 56.546 56.048 -0.093 0.000 1.278 201 H CB 0.443 30.162 29.762 -0.072 0.000 1.386 201 H HN 0.408 nan 8.280 nan 0.000 0.567 202 E N 0.093 120.302 120.200 0.016 0.000 2.152 202 E HA -0.089 4.261 4.350 -0.000 0.000 0.192 202 E C 2.233 178.795 176.600 -0.063 0.000 0.983 202 E CA 1.512 57.901 56.400 -0.019 0.000 0.818 202 E CB 0.012 29.709 29.700 -0.004 0.000 0.758 202 E HN 0.617 nan 8.360 nan 0.000 0.467 203 T N -3.273 111.180 114.554 -0.167 0.000 2.990 203 T HA 0.409 4.759 4.350 -0.000 0.000 0.249 203 T C 1.045 175.638 174.700 -0.179 0.000 1.039 203 T CA 0.451 62.416 62.100 -0.226 0.000 1.036 203 T CB 0.717 69.251 68.868 -0.557 0.000 0.994 203 T HN 0.267 nan 8.240 nan 0.000 0.489 204 G N 1.128 109.822 108.800 -0.176 0.000 2.756 204 G HA2 -0.045 3.915 3.960 -0.000 0.000 0.678 204 G HA3 -0.045 3.915 3.960 -0.000 0.000 0.678 204 G C -0.415 174.475 174.900 -0.016 0.000 1.349 204 G CA -0.510 44.548 45.100 -0.071 0.000 0.847 204 G HN 0.606 nan 8.290 nan 0.000 0.548 205 S N 0.023 115.793 115.700 0.117 0.000 2.592 205 S HA 0.473 4.943 4.470 -0.000 0.000 0.271 205 S C 0.843 175.675 174.600 0.387 0.000 1.326 205 S CA 0.064 58.450 58.200 0.310 0.000 1.024 205 S CB 1.299 64.651 63.200 0.253 0.000 0.921 205 S HN 0.963 nan 8.310 nan 0.000 0.527 206 N N 1.133 120.172 118.700 0.566 0.000 2.405 206 N HA 0.362 5.102 4.740 -0.000 0.000 0.269 206 N C -0.543 175.057 175.510 0.149 0.000 1.249 206 N CA -0.458 52.789 53.050 0.328 0.000 0.974 206 N CB 0.406 39.001 38.487 0.180 0.000 1.204 206 N HN 0.834 nan 8.380 nan 0.000 0.565 207 N N -2.209 116.471 118.700 -0.034 0.000 2.732 207 N HA 0.492 5.232 4.740 -0.000 0.000 0.259 207 N C -2.633 172.654 175.510 -0.371 0.000 1.402 207 N CA -1.223 51.530 53.050 -0.495 0.000 0.829 207 N CB 1.525 39.779 38.487 -0.389 0.000 1.495 207 N HN 0.158 nan 8.380 nan 0.000 0.511 208 P HA -0.220 nan 4.420 nan 0.000 0.217 208 P C 0.914 178.207 177.300 -0.012 0.000 1.148 208 P CA 2.186 65.076 63.100 -0.350 0.000 0.834 208 P CB -0.113 31.432 31.700 -0.258 0.000 0.783 209 T N -5.732 108.783 114.554 -0.066 0.000 3.067 209 T HA 0.204 4.554 4.350 -0.000 0.000 0.261 209 T C 1.698 176.413 174.700 0.025 0.000 1.110 209 T CA 0.708 62.778 62.100 -0.050 0.000 1.113 209 T CB -1.088 67.862 68.868 0.137 0.000 0.917 209 T HN 0.251 nan 8.240 nan 0.000 0.499 210 G N 1.357 110.179 108.800 0.036 0.000 2.168 210 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.263 210 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.263 210 G C 0.055 174.984 174.900 0.048 0.000 0.977 210 G CA 0.385 45.504 45.100 0.032 0.000 0.659 210 G HN 0.678 nan 8.290 nan 0.000 0.533 211 I N 1.152 121.771 120.570 0.082 0.000 2.428 211 I HA 0.405 4.575 4.170 -0.000 0.000 0.296 211 I C 1.234 177.382 176.117 0.053 0.000 0.985 211 I CA -0.550 60.802 61.300 0.087 0.000 1.260 211 I CB 1.686 39.763 38.000 0.127 0.000 1.389 211 I HN 0.145 nan 8.210 nan 0.000 0.484 212 S N 3.083 118.813 115.700 0.051 0.000 2.573 212 S HA -0.048 4.422 4.470 -0.000 0.000 0.297 212 S C 0.943 175.563 174.600 0.032 0.000 1.280 212 S CA 0.035 58.264 58.200 0.047 0.000 1.061 212 S CB 0.302 63.530 63.200 0.046 0.000 0.812 212 S HN 0.763 nan 8.310 nan 0.000 0.500 213 S N 2.558 118.272 115.700 0.024 0.000 2.602 213 S HA 0.224 4.694 4.470 -0.000 0.000 0.240 213 S C 0.566 175.168 174.600 0.003 0.000 0.992 213 S CA -0.491 57.710 58.200 0.002 0.000 0.971 213 S CB 0.232 63.416 63.200 -0.026 0.000 0.855 213 S HN 0.707 nan 8.310 nan 0.000 0.481 214 D N 2.423 122.832 120.400 0.015 0.000 2.218 214 D HA -0.089 4.551 4.640 -0.000 0.000 0.204 214 D C 2.076 178.379 176.300 0.004 0.000 0.976 214 D CA 1.397 55.404 54.000 0.012 0.000 0.853 214 D CB -0.092 40.719 40.800 0.018 0.000 0.939 214 D HN 0.575 nan 8.370 nan 0.000 0.481 215 V N -1.752 118.164 119.914 0.003 0.000 3.461 215 V HA 0.046 4.166 4.120 -0.000 0.000 0.267 215 V C 0.413 176.500 176.094 -0.012 0.000 1.186 215 V CA 0.785 63.084 62.300 -0.002 0.000 1.154 215 V CB 0.067 31.891 31.823 0.001 0.000 0.802 215 V HN -0.171 nan 8.190 nan 0.000 0.474 216 D N 0.530 120.919 120.400 -0.018 0.000 2.945 216 D HA 0.245 4.885 4.640 -0.000 0.000 0.340 216 D C -0.165 176.110 176.300 -0.042 0.000 1.240 216 D CA -0.280 53.700 54.000 -0.034 0.000 0.749 216 D CB 0.315 41.090 40.800 -0.041 0.000 1.217 216 D HN 0.215 nan 8.370 nan 0.000 0.514 217 K N 0.674 121.057 120.400 -0.028 0.000 2.098 217 K HA 0.568 4.888 4.320 -0.000 0.000 0.261 217 K C 0.562 177.143 176.600 -0.031 0.000 0.987 217 K CA -0.600 55.676 56.287 -0.018 0.000 0.916 217 K CB 1.746 34.246 32.500 0.001 0.000 1.039 217 K HN 0.431 nan 8.250 nan 0.000 0.455 218 I N -1.490 119.067 120.570 -0.021 0.000 2.934 218 I HA 0.537 4.707 4.170 -0.000 0.000 0.306 218 I C -2.601 173.561 176.117 0.075 0.000 1.110 218 I CA -2.850 58.421 61.300 -0.047 0.000 1.019 218 I CB 2.478 40.303 38.000 -0.293 0.000 1.227 218 I HN 0.268 nan 8.210 nan 0.000 0.434 219 P HA 0.035 nan 4.420 nan 0.000 0.271 219 P C 0.265 177.682 177.300 0.194 0.000 1.216 219 P CA 0.016 63.208 63.100 0.153 0.000 0.776 219 P CB 0.924 32.695 31.700 0.119 0.000 0.881 220 F N 2.164 122.145 119.950 0.051 0.000 2.161 220 F HA -0.157 4.370 4.527 -0.000 0.000 0.300 220 F C 1.282 177.072 175.800 -0.018 0.000 1.089 220 F CA 1.563 59.595 58.000 0.052 0.000 1.282 220 F CB -0.390 38.501 39.000 -0.181 0.000 1.010 220 F HN 0.413 nan 8.300 nan 0.000 0.485 221 H N 0.977 120.015 119.070 -0.053 0.000 2.459 221 H HA 0.286 4.842 4.556 -0.000 0.000 0.332 221 H C -1.830 173.378 175.328 -0.200 0.000 1.094 221 H CA -2.581 53.382 56.048 -0.143 0.000 1.224 221 H CB 1.539 31.267 29.762 -0.057 0.000 1.449 221 H HN -0.148 nan 8.280 nan 0.000 0.484 222 P HA -0.079 nan 4.420 nan 0.000 0.245 222 P C 0.551 177.394 177.300 -0.762 0.000 1.203 222 P CA 0.574 62.996 63.100 -1.131 0.000 0.792 222 P CB 0.356 31.439 31.700 -1.027 0.000 0.997 223 Y N -0.038 119.947 120.300 -0.526 0.000 2.053 223 Y HA -0.214 4.336 4.550 -0.000 0.000 0.277 223 Y C 2.312 177.730 175.900 -0.805 0.000 1.159 223 Y CA 1.814 59.511 58.100 -0.672 0.000 1.125 223 Y CB -1.731 36.223 38.460 -0.844 0.000 0.969 223 Y HN -0.058 nan 8.280 nan 0.000 0.492 224 Y N -0.857 119.170 120.300 -0.456 0.000 2.510 224 Y HA -0.030 4.520 4.550 -0.000 0.000 0.273 224 Y C 2.536 178.094 175.900 -0.571 0.000 1.119 224 Y CA 0.763 58.474 58.100 -0.649 0.000 1.286 224 Y CB -1.017 36.780 38.460 -1.105 0.000 1.061 224 Y HN 0.222 nan 8.280 nan 0.000 0.542 225 T N -1.621 112.708 114.554 -0.376 0.000 2.777 225 T HA -0.200 4.150 4.350 -0.000 0.000 0.266 225 T C 1.924 176.650 174.700 0.044 0.000 1.040 225 T CA 1.391 63.534 62.100 0.073 0.000 1.141 225 T CB -0.615 68.458 68.868 0.342 0.000 0.868 225 T HN 0.206 nan 8.240 nan 0.000 0.444 226 I N 1.071 121.595 120.570 -0.077 0.000 2.439 226 I HA 0.099 4.269 4.170 -0.000 0.000 0.251 226 I C 2.344 178.436 176.117 -0.042 0.000 1.139 226 I CA 1.079 62.343 61.300 -0.060 0.000 1.438 226 I CB -0.306 37.620 38.000 -0.123 0.000 1.085 226 I HN 0.105 nan 8.210 nan 0.000 0.427 227 K N 0.124 120.492 120.400 -0.053 0.000 2.148 227 K HA -0.148 4.172 4.320 -0.000 0.000 0.204 227 K C 1.638 178.256 176.600 0.029 0.000 1.050 227 K CA 1.432 57.718 56.287 -0.003 0.000 0.942 227 K CB -0.121 32.414 32.500 0.058 0.000 0.724 227 K HN 0.300 nan 8.250 nan 0.000 0.446 228 D N 0.909 121.349 120.400 0.067 0.000 2.117 228 D HA -0.105 4.535 4.640 -0.000 0.000 0.198 228 D C 1.787 178.123 176.300 0.060 0.000 0.982 228 D CA 0.924 54.983 54.000 0.098 0.000 0.828 228 D CB -0.074 40.855 40.800 0.214 0.000 0.967 228 D HN 0.145 nan 8.370 nan 0.000 0.464 229 I N 0.273 120.879 120.570 0.060 0.000 2.226 229 I HA -0.236 3.934 4.170 -0.000 0.000 0.245 229 I C 2.274 178.395 176.117 0.007 0.000 1.100 229 I CA 0.479 61.801 61.300 0.037 0.000 1.374 229 I CB -0.095 37.928 38.000 0.039 0.000 1.057 229 I HN 0.032 nan 8.210 nan 0.000 0.413 230 L N 1.166 122.387 121.223 -0.003 0.000 2.017 230 L HA -0.094 4.246 4.340 -0.000 0.000 0.208 230 L C 2.363 179.214 176.870 -0.032 0.000 1.073 230 L CA 2.283 57.112 54.840 -0.018 0.000 0.745 230 L CB -1.294 40.750 42.059 -0.025 0.000 0.894 230 L HN 0.189 nan 8.230 nan 0.000 0.432 231 G N -1.121 107.653 108.800 -0.043 0.000 2.440 231 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.218 231 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.218 231 G C 1.611 176.469 174.900 -0.070 0.000 1.154 231 G CA 0.887 45.935 45.100 -0.086 0.000 0.767 231 G HN 0.653 nan 8.290 nan 0.000 0.552 232 A N 0.488 123.285 122.820 -0.039 0.000 1.933 232 A HA 0.076 4.396 4.320 -0.000 0.000 0.218 232 A C 2.435 180.004 177.584 -0.025 0.000 1.175 232 A CA 1.261 53.279 52.037 -0.032 0.000 0.628 232 A CB -0.407 18.585 19.000 -0.013 0.000 0.814 232 A HN 0.364 nan 8.150 nan 0.000 0.444 233 L N -0.848 120.364 121.223 -0.019 0.000 2.046 233 L HA -0.181 4.159 4.340 -0.000 0.000 0.208 233 L C 2.525 179.389 176.870 -0.009 0.000 1.077 233 L CA 1.176 56.009 54.840 -0.012 0.000 0.747 233 L CB -0.429 41.624 42.059 -0.010 0.000 0.896 233 L HN 0.400 nan 8.230 nan 0.000 0.432 234 L N -1.006 120.206 121.223 -0.018 0.000 2.141 234 L HA -0.217 4.123 4.340 -0.000 0.000 0.209 234 L C 2.445 179.316 176.870 0.002 0.000 1.094 234 L CA 0.511 55.345 54.840 -0.010 0.000 0.763 234 L CB -0.335 41.708 42.059 -0.027 0.000 0.908 234 L HN 0.247 nan 8.230 nan 0.000 0.437 235 L N 0.079 121.295 121.223 -0.012 0.000 2.027 235 L HA -0.164 4.176 4.340 -0.000 0.000 0.206 235 L C 2.308 179.186 176.870 0.013 0.000 1.074 235 L CA 1.720 56.563 54.840 0.004 0.000 0.745 235 L CB -0.266 41.781 42.059 -0.020 0.000 0.898 235 L HN 0.071 nan 8.230 nan 0.000 0.433 236 I N -0.987 119.583 120.570 0.001 0.000 2.286 236 I HA -0.282 3.888 4.170 -0.000 0.000 0.248 236 I C 2.358 178.488 176.117 0.022 0.000 1.115 236 I CA 1.152 62.454 61.300 0.003 0.000 1.392 236 I CB -0.383 37.611 38.000 -0.009 0.000 1.065 236 I HN 0.356 nan 8.210 nan 0.000 0.418 237 L N 1.224 122.464 121.223 0.027 0.000 1.989 237 L HA -0.181 4.159 4.340 -0.000 0.000 0.211 237 L C 2.580 179.490 176.870 0.066 0.000 1.071 237 L CA 2.275 57.143 54.840 0.046 0.000 0.749 237 L CB -0.844 41.239 42.059 0.041 0.000 0.890 237 L HN 0.187 nan 8.230 nan 0.000 0.431 238 A N -0.567 122.291 122.820 0.062 0.000 1.883 238 A HA -0.216 4.104 4.320 -0.000 0.000 0.217 238 A C 2.272 179.909 177.584 0.089 0.000 1.186 238 A CA 2.034 54.118 52.037 0.078 0.000 0.624 238 A CB -1.148 17.900 19.000 0.081 0.000 0.822 238 A HN 0.536 nan 8.150 nan 0.000 0.444 239 L N -1.037 120.232 121.223 0.076 0.000 2.012 239 L HA -0.159 4.180 4.340 -0.000 0.000 0.210 239 L C 2.243 179.161 176.870 0.081 0.000 1.073 239 L CA 2.227 57.115 54.840 0.081 0.000 0.748 239 L CB -0.470 41.622 42.059 0.055 0.000 0.891 239 L HN 0.295 nan 8.230 nan 0.000 0.431 240 M N -1.069 118.567 119.600 0.060 0.000 2.319 240 M HA -0.081 4.399 4.480 -0.000 0.000 0.265 240 M C 2.283 178.616 176.300 0.054 0.000 1.068 240 M CA 1.277 56.602 55.300 0.041 0.000 1.118 240 M CB -1.189 31.421 32.600 0.015 0.000 1.395 240 M HN 0.298 nan 8.290 nan 0.000 0.435 241 L N -0.701 120.597 121.223 0.124 0.000 2.093 241 L HA -0.192 4.148 4.340 -0.000 0.000 0.208 241 L C 2.305 179.301 176.870 0.211 0.000 1.085 241 L CA 0.880 55.869 54.840 0.247 0.000 0.755 241 L CB -0.486 41.712 42.059 0.231 0.000 0.904 241 L HN 0.249 nan 8.230 nan 0.000 0.435 242 L N -1.365 119.946 121.223 0.147 0.000 2.023 242 L HA -0.162 4.178 4.340 -0.000 0.000 0.205 242 L C 2.504 179.448 176.870 0.124 0.000 1.073 242 L CA 0.776 55.699 54.840 0.139 0.000 0.745 242 L CB -0.536 41.606 42.059 0.138 0.000 0.900 242 L HN 0.000 nan 8.230 nan 0.000 0.435 243 V N 0.271 120.258 119.914 0.121 0.000 2.332 243 V HA -0.282 3.838 4.120 -0.000 0.000 0.248 243 V C 2.227 178.373 176.094 0.088 0.000 1.055 243 V CA 1.776 64.163 62.300 0.144 0.000 1.038 243 V CB -0.374 31.541 31.823 0.154 0.000 0.651 243 V HN 0.362 nan 8.190 nan 0.000 0.450 244 L N -2.405 118.790 121.223 -0.046 0.000 2.416 244 L HA 0.126 4.466 4.340 -0.000 0.000 0.216 244 L C 1.889 178.507 176.870 -0.420 0.000 1.098 244 L CA 0.829 55.516 54.840 -0.255 0.000 0.840 244 L CB -0.157 41.608 42.059 -0.490 0.000 0.981 244 L HN 0.267 nan 8.230 nan 0.000 0.462 245 F N -0.440 119.540 119.950 0.049 0.000 2.752 245 F HA 0.395 4.922 4.527 -0.000 0.000 0.310 245 F C 1.020 176.822 175.800 0.002 0.000 1.097 245 F CA -0.218 57.793 58.000 0.018 0.000 1.238 245 F CB 0.387 39.399 39.000 0.020 0.000 1.061 245 F HN -0.125 nan 8.300 nan 0.000 0.591 246 A N 0.413 123.330 122.820 0.162 0.000 3.455 246 A HA 0.373 4.693 4.320 -0.000 0.000 0.225 246 A C -1.906 175.719 177.584 0.069 0.000 1.052 246 A CA -0.517 51.577 52.037 0.096 0.000 1.005 246 A CB -0.388 18.674 19.000 0.103 0.000 1.318 246 A HN -0.068 nan 8.150 nan 0.000 0.639 247 P HA -0.151 nan 4.420 nan 0.000 0.218 247 P C 0.191 177.540 177.300 0.081 0.000 1.146 247 P CA 1.351 64.449 63.100 -0.004 0.000 0.813 247 P CB 0.318 31.834 31.700 -0.306 0.000 0.778 248 D N -1.460 118.978 120.400 0.062 0.000 2.398 248 D HA 0.046 4.686 4.640 -0.000 0.000 0.210 248 D C 1.831 178.220 176.300 0.148 0.000 1.094 248 D CA -0.217 53.880 54.000 0.161 0.000 0.839 248 D CB -0.173 40.712 40.800 0.141 0.000 0.963 248 D HN 0.014 nan 8.370 nan 0.000 0.506 249 L N 0.783 122.070 121.223 0.106 0.000 2.021 249 L HA -0.175 4.165 4.340 -0.000 0.000 0.215 249 L C 1.753 178.674 176.870 0.086 0.000 1.074 249 L CA 1.785 56.673 54.840 0.079 0.000 0.760 249 L CB -0.367 41.726 42.059 0.056 0.000 0.889 249 L HN 0.016 nan 8.230 nan 0.000 0.433 250 L N -1.003 120.293 121.223 0.121 0.000 2.612 250 L HA 0.247 4.587 4.340 -0.000 0.000 0.230 250 L C 1.133 178.144 176.870 0.234 0.000 1.140 250 L CA -0.009 54.921 54.840 0.150 0.000 0.896 250 L CB -0.880 41.297 42.059 0.195 0.000 1.065 250 L HN 0.347 nan 8.230 nan 0.000 0.447 251 G N -1.250 107.680 108.800 0.217 0.000 2.613 251 G HA2 0.254 4.214 3.960 -0.000 0.000 0.303 251 G HA3 0.254 4.214 3.960 -0.000 0.000 0.303 251 G C -1.475 173.552 174.900 0.212 0.000 1.312 251 G CA -0.252 44.985 45.100 0.228 0.000 1.036 251 G HN -0.083 nan 8.290 nan 0.000 0.513 252 D N -0.662 119.881 120.400 0.238 0.000 2.408 252 D HA 0.365 5.005 4.640 -0.000 0.000 0.243 252 D C -1.560 174.910 176.300 0.282 0.000 1.075 252 D CA -1.812 52.323 54.000 0.225 0.000 0.832 252 D CB 2.291 43.221 40.800 0.217 0.000 1.162 252 D HN -0.099 nan 8.370 nan 0.000 0.515 253 P HA -0.111 nan 4.420 nan 0.000 0.217 253 P C 0.667 178.167 177.300 0.333 0.000 1.148 253 P CA 0.763 64.065 63.100 0.337 0.000 0.828 253 P CB 0.434 32.253 31.700 0.197 0.000 0.783 254 D N -1.341 119.201 120.400 0.237 0.000 2.221 254 D HA -0.133 4.507 4.640 -0.000 0.000 0.204 254 D C 1.500 177.914 176.300 0.191 0.000 0.982 254 D CA 0.958 55.077 54.000 0.198 0.000 0.857 254 D CB -0.783 40.115 40.800 0.164 0.000 0.934 254 D HN 0.108 nan 8.370 nan 0.000 0.475 255 N N -0.678 118.123 118.700 0.169 0.000 2.521 255 N HA -0.083 4.657 4.740 -0.000 0.000 0.188 255 N C 0.438 176.001 175.510 0.088 0.000 1.146 255 N CA 0.188 53.277 53.050 0.065 0.000 0.893 255 N CB -0.129 38.323 38.487 -0.058 0.000 0.975 255 N HN 0.214 nan 8.380 nan 0.000 0.451 256 Y N -0.845 119.609 120.300 0.258 0.000 2.490 256 Y HA 0.217 4.767 4.550 -0.000 0.000 0.281 256 Y C 0.276 176.419 175.900 0.405 0.000 1.174 256 Y CA 0.275 58.581 58.100 0.343 0.000 1.295 256 Y CB 0.354 38.954 38.460 0.232 0.000 1.062 256 Y HN -0.170 nan 8.280 nan 0.000 0.522 257 T N 2.381 117.137 114.554 0.337 0.000 2.758 257 T HA 0.294 4.644 4.350 -0.000 0.000 0.285 257 T C -2.593 172.040 174.700 -0.111 0.000 0.981 257 T CA -1.825 60.327 62.100 0.087 0.000 0.965 257 T CB 1.502 70.412 68.868 0.069 0.000 0.927 257 T HN -0.214 nan 8.240 nan 0.000 0.448 258 P HA 0.154 nan 4.420 nan 0.000 0.266 258 P C -0.465 176.636 177.300 -0.330 0.000 1.193 258 P CA -0.304 62.406 63.100 -0.651 0.000 0.770 258 P CB 0.329 31.579 31.700 -0.749 0.000 0.836 259 A N 2.624 125.221 122.820 -0.370 0.000 2.565 259 A HA 0.104 4.424 4.320 -0.000 0.000 0.237 259 A C 0.497 177.767 177.584 -0.523 0.000 1.053 259 A CA 0.542 52.239 52.037 -0.567 0.000 0.755 259 A CB -0.681 17.648 19.000 -1.118 0.000 0.980 259 A HN 0.573 nan 8.150 nan 0.000 0.506 260 N N 3.157 121.571 118.700 -0.476 0.000 2.576 260 N HA 0.303 5.043 4.740 -0.000 0.000 0.269 260 N C -2.204 173.076 175.510 -0.383 0.000 1.058 260 N CA -2.018 50.831 53.050 -0.335 0.000 0.860 260 N CB 1.922 40.338 38.487 -0.119 0.000 1.249 260 N HN 0.273 nan 8.380 nan 0.000 0.525 261 P HA -0.027 nan 4.420 nan 0.000 0.234 261 P C 0.758 178.100 177.300 0.070 0.000 1.167 261 P CA 0.667 63.402 63.100 -0.608 0.000 0.763 261 P CB 0.569 31.877 31.700 -0.655 0.000 0.835 262 L N -1.685 119.566 121.223 0.045 0.000 2.640 262 L HA 0.273 4.613 4.340 -0.000 0.000 0.230 262 L C 0.913 177.827 176.870 0.073 0.000 1.123 262 L CA 0.079 54.965 54.840 0.078 0.000 0.900 262 L CB -0.202 41.863 42.059 0.009 0.000 1.146 262 L HN 0.026 nan 8.230 nan 0.000 0.484 263 N N -0.086 118.690 118.700 0.127 0.000 2.503 263 N HA 0.159 4.899 4.740 -0.000 0.000 0.287 263 N C -1.263 174.158 175.510 -0.147 0.000 1.096 263 N CA -0.133 52.902 53.050 -0.025 0.000 0.936 263 N CB 2.187 40.657 38.487 -0.030 0.000 1.570 263 N HN -0.258 nan 8.380 nan 0.000 0.504 264 T N 3.949 118.167 114.554 -0.559 0.000 2.733 264 T HA 0.364 4.714 4.350 -0.000 0.000 0.294 264 T C -2.434 171.998 174.700 -0.447 0.000 0.956 264 T CA -0.877 60.630 62.100 -0.988 0.000 0.987 264 T CB 1.223 69.364 68.868 -1.211 0.000 0.920 264 T HN 0.376 nan 8.240 nan 0.000 0.470 265 P HA 0.022 nan 4.420 nan 0.000 0.264 265 P C -1.517 175.669 177.300 -0.191 0.000 1.179 265 P CA -1.011 62.008 63.100 -0.135 0.000 0.763 265 P CB 0.265 31.952 31.700 -0.022 0.000 0.806 266 P HA -0.132 nan 4.420 nan 0.000 0.223 266 P C 0.231 177.202 177.300 -0.548 0.000 1.151 266 P CA 1.694 64.557 63.100 -0.395 0.000 0.787 266 P CB 0.058 31.482 31.700 -0.460 0.000 0.788 267 H N -1.228 117.839 119.070 -0.005 0.000 2.512 267 H HA 0.315 4.871 4.556 -0.000 0.000 0.276 267 H C 0.879 176.217 175.328 0.017 0.000 1.126 267 H CA -0.758 55.298 56.048 0.013 0.000 1.060 267 H CB -0.332 29.444 29.762 0.023 0.000 1.646 267 H HN 0.085 nan 8.280 nan 0.000 0.571 268 I N 3.022 123.614 120.570 0.037 0.000 2.996 268 I HA -0.136 4.034 4.170 -0.000 0.000 0.311 268 I C -0.023 176.111 176.117 0.028 0.000 1.219 268 I CA 0.770 62.095 61.300 0.042 0.000 1.452 268 I CB 0.056 38.059 38.000 0.003 0.000 1.319 268 I HN 0.387 nan 8.210 nan 0.000 0.564 269 K N 6.430 126.822 120.400 -0.013 0.000 2.556 269 K HA 0.685 5.005 4.320 -0.000 0.000 0.274 269 K C -3.030 173.445 176.600 -0.209 0.000 0.966 269 K CA -1.623 54.560 56.287 -0.173 0.000 0.865 269 K CB 1.398 33.839 32.500 -0.098 0.000 1.444 269 K HN 0.190 nan 8.250 nan 0.000 0.433 270 P HA 0.128 nan 4.420 nan 0.000 0.275 270 P C -1.003 176.139 177.300 -0.264 0.000 1.266 270 P CA -0.448 62.486 63.100 -0.278 0.000 0.793 270 P CB 0.328 31.809 31.700 -0.365 0.000 1.074 271 E N 0.400 120.347 120.200 -0.421 0.000 2.437 271 E HA -0.074 4.276 4.350 -0.000 0.000 0.263 271 E C 1.162 177.293 176.600 -0.781 0.000 1.030 271 E CA 0.074 55.974 56.400 -0.833 0.000 0.934 271 E CB -0.073 28.651 29.700 -1.626 0.000 0.943 271 E HN 0.555 nan 8.360 nan 0.000 0.444 272 W N 3.728 124.671 121.300 -0.594 0.000 2.325 272 W HA -0.329 4.331 4.660 -0.000 0.000 0.299 272 W C 0.940 177.333 176.519 -0.210 0.000 1.215 272 W CA 1.242 58.409 57.345 -0.296 0.000 1.244 272 W CB -0.897 28.487 29.460 -0.127 0.000 1.140 272 W HN 0.736 nan 8.180 nan 0.000 0.523 273 Y N -2.392 117.189 120.300 -1.198 0.000 2.632 273 Y HA 0.128 4.678 4.550 -0.000 0.000 0.301 273 Y C 1.399 177.117 175.900 -0.304 0.000 1.172 273 Y CA -0.006 57.461 58.100 -1.055 0.000 1.328 273 Y CB -1.703 35.574 38.460 -1.972 0.000 1.016 273 Y HN -0.205 nan 8.280 nan 0.000 0.529 274 F N -0.388 119.365 119.950 -0.328 0.000 2.706 274 F HA 0.285 4.812 4.527 -0.000 0.000 0.308 274 F C 1.603 177.274 175.800 -0.214 0.000 1.095 274 F CA -1.098 56.756 58.000 -0.244 0.000 1.244 274 F CB -0.453 38.352 39.000 -0.325 0.000 1.063 274 F HN 0.104 nan 8.300 nan 0.000 0.582 275 L N -0.250 121.035 121.223 0.103 0.000 2.079 275 L HA -0.268 4.072 4.340 -0.000 0.000 0.210 275 L C 2.640 179.595 176.870 0.141 0.000 1.081 275 L CA 1.696 56.611 54.840 0.125 0.000 0.752 275 L CB -0.861 41.294 42.059 0.160 0.000 0.896 275 L HN 0.216 nan 8.230 nan 0.000 0.433 276 F N -0.047 119.937 119.950 0.056 0.000 2.146 276 F HA -0.063 4.464 4.527 0.000 0.000 0.298 276 F C 2.455 178.206 175.800 -0.082 0.000 1.096 276 F CA 0.841 58.817 58.000 -0.040 0.000 1.275 276 F CB -1.166 37.757 39.000 -0.130 0.000 1.008 276 F HN -0.083 nan 8.300 nan 0.000 0.480 277 A N -0.139 121.810 122.820 -1.452 0.000 1.930 277 A HA -0.166 4.154 4.320 -0.000 0.000 0.217 277 A C 2.218 179.575 177.584 -0.378 0.000 1.175 277 A CA 1.440 52.870 52.037 -1.011 0.000 0.627 277 A CB -1.695 16.648 19.000 -1.094 0.000 0.815 277 A HN 0.665 nan 8.150 nan 0.000 0.443 278 Y N 0.704 120.774 120.300 -0.383 0.000 2.181 278 Y HA -0.062 4.488 4.550 -0.000 0.000 0.288 278 Y C 2.545 178.351 175.900 -0.155 0.000 1.146 278 Y CA 1.145 59.115 58.100 -0.217 0.000 1.164 278 Y CB -0.498 37.874 38.460 -0.148 0.000 0.982 278 Y HN 0.295 nan 8.280 nan 0.000 0.515 279 A N 0.550 123.307 122.820 -0.104 0.000 1.902 279 A HA -0.154 4.166 4.320 -0.000 0.000 0.217 279 A C 2.309 179.786 177.584 -0.179 0.000 1.181 279 A CA 1.922 53.852 52.037 -0.178 0.000 0.623 279 A CB -1.094 17.872 19.000 -0.058 0.000 0.818 279 A HN 0.582 nan 8.150 nan 0.000 0.443 280 I N -0.736 119.745 120.570 -0.149 0.000 2.142 280 I HA -0.251 3.919 4.170 -0.000 0.000 0.240 280 I C 2.534 178.603 176.117 -0.080 0.000 1.078 280 I CA 1.564 62.814 61.300 -0.085 0.000 1.343 280 I CB -0.311 37.638 38.000 -0.086 0.000 1.046 280 I HN 0.450 nan 8.210 nan 0.000 0.405 281 L N 0.699 121.844 121.223 -0.131 0.000 2.042 281 L HA -0.227 4.113 4.340 -0.000 0.000 0.210 281 L C 2.724 179.498 176.870 -0.159 0.000 1.076 281 L CA 1.608 56.377 54.840 -0.119 0.000 0.749 281 L CB -0.315 41.669 42.059 -0.124 0.000 0.893 281 L HN 0.089 nan 8.230 nan 0.000 0.432 282 R N -0.945 119.387 120.500 -0.280 0.000 2.241 282 R HA -0.092 4.248 4.340 -0.000 0.000 0.224 282 R C 2.096 178.291 176.300 -0.176 0.000 1.101 282 R CA 1.123 57.042 56.100 -0.302 0.000 0.995 282 R CB -0.034 29.936 30.300 -0.550 0.000 0.870 282 R HN 0.388 nan 8.270 nan 0.000 0.463 283 S N -0.003 115.621 115.700 -0.126 0.000 2.489 283 S HA 0.098 4.568 4.470 -0.000 0.000 0.228 283 S C 0.581 175.159 174.600 -0.037 0.000 0.995 283 S CA 0.420 58.582 58.200 -0.064 0.000 0.934 283 S CB 0.210 63.394 63.200 -0.025 0.000 0.771 283 S HN 0.163 nan 8.310 nan 0.000 0.522 284 I N 3.222 123.766 120.570 -0.043 0.000 2.330 284 I HA 0.240 4.410 4.170 -0.000 0.000 0.289 284 I C -2.094 173.999 176.117 -0.039 0.000 1.001 284 I CA -2.138 59.143 61.300 -0.031 0.000 1.193 284 I CB 1.628 39.614 38.000 -0.024 0.000 1.345 284 I HN -0.123 nan 8.210 nan 0.000 0.461 285 P HA 0.067 nan 4.420 nan 0.000 0.226 285 P C -0.830 176.453 177.300 -0.029 0.000 1.758 285 P CA 0.195 63.277 63.100 -0.030 0.000 0.896 285 P CB -0.061 31.625 31.700 -0.023 0.000 1.784 286 N N 0.925 119.606 118.700 -0.033 0.000 2.406 286 N HA 0.062 4.802 4.740 -0.000 0.000 0.283 286 N C 0.539 176.027 175.510 -0.037 0.000 1.074 286 N CA -0.342 52.688 53.050 -0.033 0.000 0.916 286 N CB 2.308 40.774 38.487 -0.035 0.000 1.639 286 N HN -0.187 nan 8.380 nan 0.000 0.485 287 K N 2.516 122.895 120.400 -0.035 0.000 1.991 287 K HA -0.129 4.191 4.320 -0.000 0.000 0.212 287 K C 1.759 178.334 176.600 -0.042 0.000 1.049 287 K CA 1.346 57.612 56.287 -0.035 0.000 0.932 287 K CB -0.116 32.366 32.500 -0.030 0.000 0.717 287 K HN 0.452 nan 8.250 nan 0.000 0.441 288 L N 1.061 122.255 121.223 -0.049 0.000 2.083 288 L HA -0.016 4.324 4.340 -0.000 0.000 0.209 288 L C 2.167 179.004 176.870 -0.054 0.000 1.083 288 L CA 2.286 57.093 54.840 -0.056 0.000 0.752 288 L CB -1.027 40.992 42.059 -0.067 0.000 0.899 288 L HN 0.388 nan 8.230 nan 0.000 0.433 289 G N -1.070 107.698 108.800 -0.052 0.000 2.440 289 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.218 289 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.218 289 G C 1.500 176.375 174.900 -0.043 0.000 1.154 289 G CA 0.616 45.684 45.100 -0.053 0.000 0.767 289 G HN 0.586 nan 8.290 nan 0.000 0.552 290 G N 0.213 108.990 108.800 -0.039 0.000 2.402 290 G HA2 -0.087 3.873 3.960 -0.000 0.000 0.216 290 G HA3 -0.087 3.873 3.960 -0.000 0.000 0.216 290 G C 1.763 176.646 174.900 -0.028 0.000 1.162 290 G CA 1.121 46.201 45.100 -0.034 0.000 0.777 290 G HN 0.317 nan 8.290 nan 0.000 0.539 291 V N 0.931 120.825 119.914 -0.034 0.000 2.407 291 V HA -0.092 4.028 4.120 -0.000 0.000 0.248 291 V C 2.870 178.956 176.094 -0.013 0.000 1.055 291 V CA 1.203 63.484 62.300 -0.032 0.000 1.049 291 V CB -0.360 31.439 31.823 -0.039 0.000 0.662 291 V HN 0.321 nan 8.190 nan 0.000 0.455 292 L N -0.009 121.202 121.223 -0.020 0.000 2.056 292 L HA -0.114 4.226 4.340 -0.000 0.000 0.207 292 L C 2.708 179.606 176.870 0.047 0.000 1.078 292 L CA 1.524 56.354 54.840 -0.017 0.000 0.749 292 L CB -0.716 41.300 42.059 -0.072 0.000 0.901 292 L HN 0.362 nan 8.230 nan 0.000 0.433 293 A N -0.082 122.766 122.820 0.047 0.000 1.930 293 A HA -0.193 4.127 4.320 -0.000 0.000 0.217 293 A C 2.175 179.916 177.584 0.260 0.000 1.175 293 A CA 1.383 53.513 52.037 0.155 0.000 0.627 293 A CB -0.548 18.520 19.000 0.114 0.000 0.815 293 A HN 0.337 nan 8.150 nan 0.000 0.443 294 L N -0.093 121.194 121.223 0.107 0.000 1.994 294 L HA -0.054 4.286 4.340 -0.000 0.000 0.208 294 L C 2.604 179.522 176.870 0.079 0.000 1.071 294 L CA 2.395 57.255 54.840 0.034 0.000 0.745 294 L CB -0.833 41.192 42.059 -0.056 0.000 0.892 294 L HN 0.302 nan 8.230 nan 0.000 0.431 295 A N -0.936 121.940 122.820 0.093 0.000 1.908 295 A HA -0.259 4.061 4.320 -0.000 0.000 0.218 295 A C 2.258 179.992 177.584 0.250 0.000 1.181 295 A CA 1.931 54.039 52.037 0.118 0.000 0.627 295 A CB -1.235 17.817 19.000 0.086 0.000 0.818 295 A HN 0.553 nan 8.150 nan 0.000 0.445 296 F N 1.915 121.942 119.950 0.129 0.000 2.293 296 F HA -0.119 4.408 4.527 -0.000 0.000 0.300 296 F C 2.712 178.756 175.800 0.405 0.000 1.086 296 F CA 1.254 59.385 58.000 0.219 0.000 1.375 296 F CB -0.466 38.620 39.000 0.143 0.000 1.045 296 F HN 0.342 nan 8.300 nan 0.000 0.516 297 S N -0.197 115.760 115.700 0.428 0.000 2.442 297 S HA -0.148 4.322 4.470 -0.000 0.000 0.236 297 S C 1.875 176.596 174.600 0.201 0.000 1.007 297 S CA 1.382 59.749 58.200 0.278 0.000 0.965 297 S CB -0.600 62.643 63.200 0.072 0.000 0.773 297 S HN 0.292 nan 8.310 nan 0.000 0.504 298 I N 0.969 121.636 120.570 0.163 0.000 2.729 298 I HA 0.237 4.407 4.170 -0.000 0.000 0.256 298 I C 2.231 178.402 176.117 0.091 0.000 1.115 298 I CA 0.406 61.789 61.300 0.138 0.000 1.446 298 I CB -1.349 36.724 38.000 0.121 0.000 1.176 298 I HN 0.288 nan 8.210 nan 0.000 0.446 299 L N 0.755 122.048 121.223 0.117 0.000 2.362 299 L HA -0.083 4.257 4.340 -0.000 0.000 0.219 299 L C 2.464 179.383 176.870 0.082 0.000 1.134 299 L CA 0.801 55.719 54.840 0.130 0.000 0.807 299 L CB -0.294 41.898 42.059 0.221 0.000 0.927 299 L HN 0.181 nan 8.230 nan 0.000 0.447 300 I N -0.114 120.389 120.570 -0.113 0.000 2.567 300 I HA -0.291 3.879 4.170 -0.000 0.000 0.257 300 I C 2.224 178.309 176.117 -0.054 0.000 1.184 300 I CA 0.943 62.070 61.300 -0.289 0.000 1.451 300 I CB 0.152 37.800 38.000 -0.585 0.000 1.089 300 I HN 0.256 nan 8.210 nan 0.000 0.441 301 L N 0.569 121.813 121.223 0.035 0.000 2.042 301 L HA -0.216 4.124 4.340 -0.000 0.000 0.210 301 L C 2.663 179.726 176.870 0.322 0.000 1.076 301 L CA 1.415 56.360 54.840 0.176 0.000 0.749 301 L CB -0.797 41.308 42.059 0.076 0.000 0.893 301 L HN 0.300 nan 8.230 nan 0.000 0.432 302 A N -0.721 122.219 122.820 0.199 0.000 2.172 302 A HA -0.065 4.255 4.320 -0.000 0.000 0.216 302 A C 2.141 179.834 177.584 0.181 0.000 1.154 302 A CA 1.012 53.187 52.037 0.231 0.000 0.701 302 A CB -0.368 18.718 19.000 0.143 0.000 0.789 302 A HN 0.418 nan 8.150 nan 0.000 0.465 303 L N -0.540 120.754 121.223 0.118 0.000 2.513 303 L HA 0.032 4.372 4.340 -0.000 0.000 0.222 303 L C 1.818 178.662 176.870 -0.043 0.000 1.096 303 L CA -0.111 54.764 54.840 0.060 0.000 0.857 303 L CB -0.141 41.970 42.059 0.087 0.000 1.026 303 L HN 0.253 nan 8.230 nan 0.000 0.469 304 I N 1.098 121.600 120.570 -0.113 0.000 2.151 304 I HA -0.212 3.958 4.170 -0.000 0.000 0.243 304 I C -0.101 175.708 176.117 -0.513 0.000 1.080 304 I CA 1.921 62.995 61.300 -0.377 0.000 1.339 304 I CB -2.399 35.251 38.000 -0.585 0.000 1.039 304 I HN 0.165 nan 8.210 nan 0.000 0.409 305 P HA -0.133 nan 4.420 nan 0.000 0.218 305 P C 2.126 179.382 177.300 -0.072 0.000 1.148 305 P CA 1.295 64.261 63.100 -0.224 0.000 0.822 305 P CB -0.044 31.605 31.700 -0.085 0.000 0.784 306 L N -2.050 119.140 121.223 -0.055 0.000 2.395 306 L HA -0.020 4.320 4.340 -0.000 0.000 0.218 306 L C 1.796 178.658 176.870 -0.013 0.000 1.130 306 L CA 0.727 55.561 54.840 -0.010 0.000 0.826 306 L CB -0.517 41.548 42.059 0.009 0.000 0.941 306 L HN -0.041 nan 8.230 nan 0.000 0.451 307 L N -1.667 119.525 121.223 -0.051 0.000 2.628 307 L HA 0.085 4.425 4.340 -0.000 0.000 0.229 307 L C 0.504 177.343 176.870 -0.051 0.000 1.137 307 L CA -0.267 54.539 54.840 -0.056 0.000 0.909 307 L CB -0.371 41.635 42.059 -0.089 0.000 1.137 307 L HN 0.132 nan 8.230 nan 0.000 0.470 308 H N 0.335 119.344 119.070 -0.100 0.000 2.944 308 H HA 0.050 4.606 4.556 -0.000 0.000 0.278 308 H C 1.276 176.574 175.328 -0.050 0.000 1.083 308 H CA 0.349 56.365 56.048 -0.053 0.000 1.479 308 H CB 0.811 30.597 29.762 0.040 0.000 1.486 308 H HN 0.148 nan 8.280 nan 0.000 0.493 309 T N 0.198 114.570 114.554 -0.304 0.000 2.990 309 T HA 0.080 4.430 4.350 -0.000 0.000 0.250 309 T C 1.031 175.584 174.700 -0.245 0.000 1.041 309 T CA -0.045 61.941 62.100 -0.190 0.000 1.010 309 T CB 0.070 68.854 68.868 -0.139 0.000 1.003 309 T HN 0.425 nan 8.240 nan 0.000 0.499 310 S N 1.140 116.552 115.700 -0.480 0.000 2.572 310 S HA 0.187 4.657 4.470 -0.000 0.000 0.279 310 S C 1.173 175.687 174.600 -0.142 0.000 1.341 310 S CA -0.628 57.394 58.200 -0.296 0.000 1.043 310 S CB 0.478 63.487 63.200 -0.318 0.000 0.887 310 S HN 0.206 nan 8.310 nan 0.000 0.516 311 K N 2.532 122.804 120.400 -0.214 0.000 2.432 311 K HA 0.108 4.428 4.320 -0.000 0.000 0.196 311 K C 0.298 176.765 176.600 -0.222 0.000 1.038 311 K CA 0.724 56.754 56.287 -0.430 0.000 0.986 311 K CB -0.110 31.646 32.500 -1.241 0.000 0.782 311 K HN 0.658 nan 8.250 nan 0.000 0.485 312 Q N 0.043 119.847 119.800 0.006 0.000 2.274 312 Q HA 0.308 4.648 4.340 -0.000 0.000 0.260 312 Q C 0.863 176.940 176.000 0.128 0.000 0.974 312 Q CA -0.402 55.468 55.803 0.112 0.000 0.876 312 Q CB 2.389 31.264 28.738 0.228 0.000 1.297 312 Q HN -0.048 nan 8.270 nan 0.000 0.446 313 R N 0.948 121.477 120.500 0.049 0.000 2.062 313 R HA -0.006 4.334 4.340 -0.000 0.000 0.229 313 R C 0.762 177.014 176.300 -0.080 0.000 1.128 313 R CA 0.985 57.044 56.100 -0.068 0.000 0.960 313 R CB 0.192 30.395 30.300 -0.163 0.000 0.855 313 R HN 0.531 nan 8.270 nan 0.000 0.432 314 S N -0.864 114.799 115.700 -0.062 0.000 2.654 314 S HA 0.187 4.657 4.470 -0.000 0.000 0.283 314 S C 0.849 175.287 174.600 -0.270 0.000 1.180 314 S CA -0.712 57.406 58.200 -0.137 0.000 1.021 314 S CB 1.360 64.558 63.200 -0.003 0.000 1.018 314 S HN 0.304 nan 8.310 nan 0.000 0.532 315 M N 3.407 122.656 119.600 -0.585 0.000 2.595 315 M HA 0.044 4.524 4.480 -0.000 0.000 0.248 315 M C 1.877 177.813 176.300 -0.607 0.000 1.119 315 M CA 0.314 55.164 55.300 -0.751 0.000 1.079 315 M CB -0.266 31.487 32.600 -1.411 0.000 1.472 315 M HN 0.867 nan 8.290 nan 0.000 0.501 316 M N 0.321 119.641 119.600 -0.467 0.000 2.106 316 M HA -0.234 4.246 4.480 -0.000 0.000 0.259 316 M C 0.436 176.554 176.300 -0.303 0.000 1.068 316 M CA 2.060 57.159 55.300 -0.334 0.000 1.100 316 M CB 0.020 32.304 32.600 -0.527 0.000 1.351 316 M HN 0.157 nan 8.290 nan 0.000 0.404 317 F N 0.380 120.338 119.950 0.013 0.000 2.645 317 F HA 0.315 4.842 4.527 -0.000 0.000 0.300 317 F C 0.038 175.840 175.800 0.003 0.000 1.115 317 F CA -0.009 58.007 58.000 0.027 0.000 1.355 317 F CB -0.097 38.932 39.000 0.049 0.000 1.026 317 F HN 0.010 nan 8.300 nan 0.000 0.536 318 R N 0.369 120.901 120.500 0.054 0.000 2.402 318 R HA 0.250 4.590 4.340 -0.000 0.000 0.290 318 R C -2.078 174.216 176.300 -0.010 0.000 1.321 318 R CA -1.441 54.667 56.100 0.014 0.000 1.283 318 R CB 0.722 30.991 30.300 -0.053 0.000 1.111 318 R HN -0.069 nan 8.270 nan 0.000 0.578 319 P HA -0.215 nan 4.420 nan 0.000 0.215 319 P C 0.992 178.325 177.300 0.055 0.000 1.157 319 P CA 1.254 64.393 63.100 0.065 0.000 0.874 319 P CB 0.253 31.998 31.700 0.074 0.000 0.790 320 L N -1.146 120.098 121.223 0.034 0.000 2.046 320 L HA -0.149 4.191 4.340 -0.000 0.000 0.208 320 L C 2.374 179.252 176.870 0.014 0.000 1.077 320 L CA 1.726 56.584 54.840 0.029 0.000 0.747 320 L CB -1.334 40.736 42.059 0.017 0.000 0.896 320 L HN 0.009 nan 8.230 nan 0.000 0.432 321 S N -0.527 115.155 115.700 -0.029 0.000 2.382 321 S HA -0.210 4.260 4.470 -0.000 0.000 0.228 321 S C 1.954 176.520 174.600 -0.058 0.000 1.027 321 S CA 1.188 59.344 58.200 -0.073 0.000 0.991 321 S CB -0.181 62.928 63.200 -0.152 0.000 0.823 321 S HN 0.446 nan 8.310 nan 0.000 0.469 322 Q N 0.036 119.809 119.800 -0.045 0.000 2.050 322 Q HA -0.127 4.213 4.340 -0.000 0.000 0.202 322 Q C 2.507 178.674 176.000 0.279 0.000 0.980 322 Q CA 1.582 57.427 55.803 0.071 0.000 0.840 322 Q CB -0.465 28.385 28.738 0.187 0.000 0.898 322 Q HN 0.552 nan 8.270 nan 0.000 0.424 323 C N 0.531 119.967 119.300 0.226 0.000 2.413 323 C HA -0.145 4.315 4.460 -0.000 0.000 0.276 323 C C 2.569 177.671 174.990 0.188 0.000 1.236 323 C CA 0.627 59.788 59.018 0.239 0.000 1.735 323 C CB -1.062 26.763 27.740 0.143 0.000 2.031 323 C HN 0.476 nan 8.230 nan 0.000 0.474 324 L N -0.378 120.906 121.223 0.101 0.000 2.093 324 L HA -0.131 4.209 4.340 -0.000 0.000 0.208 324 L C 2.430 179.305 176.870 0.009 0.000 1.085 324 L CA 1.488 56.353 54.840 0.042 0.000 0.755 324 L CB -0.742 41.317 42.059 -0.001 0.000 0.904 324 L HN 0.319 nan 8.230 nan 0.000 0.435 325 F N -0.072 119.791 119.950 -0.145 0.000 2.134 325 F HA -0.238 4.289 4.527 -0.000 0.000 0.299 325 F C 1.981 177.619 175.800 -0.270 0.000 1.097 325 F CA 1.518 59.344 58.000 -0.289 0.000 1.264 325 F CB -0.370 38.352 39.000 -0.462 0.000 1.001 325 F HN -0.022 nan 8.300 nan 0.000 0.479 326 W N -0.029 121.340 121.300 0.114 0.000 2.519 326 W HA 0.045 4.705 4.660 -0.000 0.000 0.266 326 W C 2.495 178.966 176.519 -0.079 0.000 1.253 326 W CA 0.864 58.213 57.345 0.008 0.000 1.274 326 W CB -0.596 28.943 29.460 0.131 0.000 1.114 326 W HN 0.091 nan 8.180 nan 0.000 0.596 327 A N 0.217 123.110 122.820 0.122 0.000 1.898 327 A HA -0.181 4.139 4.320 -0.000 0.000 0.216 327 A C 1.879 179.448 177.584 -0.026 0.000 1.181 327 A CA 1.489 53.561 52.037 0.058 0.000 0.620 327 A CB -0.965 18.061 19.000 0.043 0.000 0.819 327 A HN 0.265 nan 8.150 nan 0.000 0.442 328 L N 0.014 121.154 121.223 -0.140 0.000 2.042 328 L HA -0.120 4.220 4.340 -0.000 0.000 0.210 328 L C 2.322 179.062 176.870 -0.216 0.000 1.076 328 L CA 1.959 56.674 54.840 -0.208 0.000 0.749 328 L CB -0.482 41.362 42.059 -0.358 0.000 0.893 328 L HN 0.143 nan 8.230 nan 0.000 0.432 329 V N 0.028 119.759 119.914 -0.305 0.000 2.358 329 V HA -0.249 3.871 4.120 -0.000 0.000 0.246 329 V C 2.780 178.858 176.094 -0.027 0.000 1.047 329 V CA 1.582 63.763 62.300 -0.198 0.000 1.035 329 V CB -1.262 30.495 31.823 -0.110 0.000 0.658 329 V HN 0.613 nan 8.190 nan 0.000 0.452 330 A N -0.234 122.608 122.820 0.036 0.000 1.969 330 A HA -0.262 4.058 4.320 -0.000 0.000 0.218 330 A C 2.001 179.616 177.584 0.051 0.000 1.169 330 A CA 1.999 54.071 52.037 0.058 0.000 0.635 330 A CB -0.561 18.482 19.000 0.071 0.000 0.810 330 A HN 0.586 nan 8.150 nan 0.000 0.445 331 D N -0.436 119.985 120.400 0.034 0.000 2.183 331 D HA -0.038 4.602 4.640 -0.000 0.000 0.203 331 D C 1.753 178.084 176.300 0.051 0.000 0.969 331 D CA 0.784 54.819 54.000 0.058 0.000 0.842 331 D CB -0.127 40.708 40.800 0.058 0.000 0.957 331 D HN 0.404 nan 8.370 nan 0.000 0.484 332 L N -0.138 121.081 121.223 -0.006 0.000 2.217 332 L HA -0.054 4.286 4.340 -0.000 0.000 0.211 332 L C 2.127 179.010 176.870 0.020 0.000 1.107 332 L CA 0.246 55.047 54.840 -0.065 0.000 0.783 332 L CB -0.178 41.744 42.059 -0.228 0.000 0.919 332 L HN 0.190 nan 8.230 nan 0.000 0.442 333 L N -0.835 120.419 121.223 0.052 0.000 2.109 333 L HA -0.122 4.218 4.340 -0.000 0.000 0.207 333 L C 2.382 179.363 176.870 0.185 0.000 1.086 333 L CA 1.928 56.831 54.840 0.105 0.000 0.760 333 L CB -0.650 41.455 42.059 0.076 0.000 0.910 333 L HN 0.098 nan 8.230 nan 0.000 0.437 334 T N -0.060 114.608 114.554 0.189 0.000 2.708 334 T HA -0.166 4.184 4.350 -0.000 0.000 0.266 334 T C 1.972 176.848 174.700 0.293 0.000 1.037 334 T CA 1.891 64.186 62.100 0.325 0.000 1.146 334 T CB -0.361 68.662 68.868 0.258 0.000 0.865 334 T HN 0.282 nan 8.240 nan 0.000 0.435 335 L N 0.664 121.988 121.223 0.168 0.000 2.046 335 L HA -0.127 4.213 4.340 -0.000 0.000 0.208 335 L C 2.930 179.890 176.870 0.150 0.000 1.077 335 L CA 1.188 56.097 54.840 0.115 0.000 0.747 335 L CB -1.004 41.108 42.059 0.088 0.000 0.896 335 L HN 0.285 nan 8.230 nan 0.000 0.432 336 T N -1.300 113.380 114.554 0.211 0.000 2.746 336 T HA -0.243 4.107 4.350 -0.000 0.000 0.267 336 T C 1.314 176.151 174.700 0.228 0.000 1.039 336 T CA 1.601 63.846 62.100 0.242 0.000 1.142 336 T CB -0.348 68.677 68.868 0.263 0.000 0.866 336 T HN 0.549 nan 8.240 nan 0.000 0.444 337 W N 2.091 123.420 121.300 0.049 0.000 2.354 337 W HA -0.060 4.600 4.660 0.000 0.000 0.315 337 W C 1.628 178.117 176.519 -0.050 0.000 1.206 337 W CA 0.476 57.821 57.345 -0.001 0.000 1.290 337 W CB -0.672 28.782 29.460 -0.009 0.000 1.152 337 W HN 0.035 nan 8.180 nan 0.000 0.489 338 I N 1.662 121.971 120.570 -0.435 0.000 2.208 338 I HA -0.210 3.960 4.170 -0.000 0.000 0.245 338 I C 2.565 178.479 176.117 -0.339 0.000 1.097 338 I CA 1.955 62.852 61.300 -0.673 0.000 1.363 338 I CB -2.114 35.657 38.000 -0.382 0.000 1.051 338 I HN 0.275 nan 8.210 nan 0.000 0.413 339 G N 0.296 109.046 108.800 -0.084 0.000 2.479 339 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.220 339 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.220 339 G C 1.563 176.534 174.900 0.118 0.000 1.115 339 G CA 0.838 46.021 45.100 0.138 0.000 0.757 339 G HN 0.529 nan 8.290 nan 0.000 0.560 340 G N -1.210 107.568 108.800 -0.036 0.000 3.042 340 G HA2 0.299 4.259 3.960 -0.000 0.000 0.212 340 G HA3 0.299 4.259 3.960 -0.000 0.000 0.212 340 G C 0.611 175.437 174.900 -0.123 0.000 1.166 340 G CA -0.138 44.942 45.100 -0.034 0.000 0.767 340 G HN 0.307 nan 8.290 nan 0.000 0.546 341 Q N 0.440 120.070 119.800 -0.283 0.000 2.297 341 Q HA 0.395 4.735 4.340 -0.000 0.000 0.269 341 Q C -2.501 173.406 176.000 -0.154 0.000 1.051 341 Q CA -2.172 53.395 55.803 -0.393 0.000 0.869 341 Q CB 1.804 29.864 28.738 -1.130 0.000 1.346 341 Q HN 0.048 nan 8.270 nan 0.000 0.457 342 P HA 0.094 nan 4.420 nan 0.000 0.272 342 P C -0.258 177.104 177.300 0.102 0.000 1.230 342 P CA -0.283 62.875 63.100 0.097 0.000 0.788 342 P CB 0.591 32.389 31.700 0.163 0.000 0.949 343 V N 2.315 122.268 119.914 0.065 0.000 2.149 343 V HA 0.116 4.236 4.120 -0.000 0.000 0.245 343 V C 0.686 176.820 176.094 0.066 0.000 1.349 343 V CA 0.695 63.018 62.300 0.039 0.000 1.289 343 V CB -1.792 30.028 31.823 -0.004 0.000 1.401 343 V HN 0.538 nan 8.190 nan 0.000 0.501 344 E N 0.784 121.050 120.200 0.110 0.000 2.433 344 E HA 0.361 4.711 4.350 -0.000 0.000 0.278 344 E C -0.706 175.911 176.600 0.029 0.000 0.976 344 E CA -0.962 55.486 56.400 0.082 0.000 0.793 344 E CB 1.959 31.713 29.700 0.091 0.000 1.311 344 E HN 0.616 nan 8.360 nan 0.000 0.460 345 H N 3.256 122.279 119.070 -0.078 0.000 2.815 345 H HA 0.092 4.648 4.556 -0.000 0.000 0.350 345 H C -1.814 173.327 175.328 -0.313 0.000 1.080 345 H CA -0.925 55.042 56.048 -0.134 0.000 1.433 345 H CB 1.143 30.853 29.762 -0.087 0.000 1.432 345 H HN 0.317 nan 8.280 nan 0.000 0.592 346 P HA -0.008 nan 4.420 nan 0.000 0.262 346 P C 0.487 177.588 177.300 -0.331 0.000 1.304 346 P CA 0.067 62.644 63.100 -0.871 0.000 0.859 346 P CB 0.025 31.194 31.700 -0.885 0.000 1.310 347 Y N 0.644 120.823 120.300 -0.202 0.000 2.207 347 Y HA -0.136 4.414 4.550 -0.000 0.000 0.287 347 Y C 2.460 178.265 175.900 -0.158 0.000 1.156 347 Y CA 0.380 58.346 58.100 -0.224 0.000 1.182 347 Y CB -1.469 36.832 38.460 -0.265 0.000 0.979 347 Y HN -0.080 nan 8.280 nan 0.000 0.521 348 I N -0.784 119.813 120.570 0.045 0.000 2.179 348 I HA -0.322 3.848 4.170 -0.000 0.000 0.242 348 I C 2.160 178.287 176.117 0.017 0.000 1.088 348 I CA 1.901 63.212 61.300 0.019 0.000 1.357 348 I CB -0.664 37.352 38.000 0.026 0.000 1.051 348 I HN 0.170 nan 8.210 nan 0.000 0.409 349 T N 0.964 115.534 114.554 0.026 0.000 2.812 349 T HA -0.022 4.328 4.350 -0.000 0.000 0.264 349 T C 1.936 176.663 174.700 0.044 0.000 1.042 349 T CA 1.105 63.227 62.100 0.038 0.000 1.140 349 T CB -0.192 68.708 68.868 0.053 0.000 0.870 349 T HN 0.218 nan 8.240 nan 0.000 0.445 350 I N 1.304 121.902 120.570 0.047 0.000 2.226 350 I HA -0.116 4.054 4.170 -0.000 0.000 0.245 350 I C 2.852 179.004 176.117 0.059 0.000 1.100 350 I CA 1.277 62.627 61.300 0.083 0.000 1.374 350 I CB -0.632 37.450 38.000 0.136 0.000 1.057 350 I HN 0.309 nan 8.210 nan 0.000 0.413 351 G N -0.086 108.721 108.800 0.011 0.000 2.408 351 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.217 351 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.217 351 G C 1.575 176.486 174.900 0.018 0.000 1.150 351 G CA 0.349 45.443 45.100 -0.010 0.000 0.776 351 G HN 0.407 nan 8.290 nan 0.000 0.542 352 Q N -0.342 119.474 119.800 0.026 0.000 2.083 352 Q HA 0.122 4.462 4.340 -0.000 0.000 0.198 352 Q C 2.639 178.681 176.000 0.070 0.000 0.969 352 Q CA 0.621 56.451 55.803 0.044 0.000 0.838 352 Q CB -0.192 28.567 28.738 0.035 0.000 0.900 352 Q HN 0.415 nan 8.270 nan 0.000 0.436 353 L N 0.167 121.431 121.223 0.070 0.000 2.027 353 L HA -0.165 4.175 4.340 -0.000 0.000 0.206 353 L C 2.533 179.461 176.870 0.096 0.000 1.074 353 L CA 0.994 55.883 54.840 0.082 0.000 0.745 353 L CB -0.605 41.502 42.059 0.079 0.000 0.898 353 L HN 0.218 nan 8.230 nan 0.000 0.433 354 A N -0.649 122.228 122.820 0.094 0.000 1.902 354 A HA -0.195 4.125 4.320 -0.000 0.000 0.217 354 A C 2.489 180.138 177.584 0.108 0.000 1.181 354 A CA 2.114 54.211 52.037 0.100 0.000 0.623 354 A CB -0.594 18.465 19.000 0.099 0.000 0.818 354 A HN 0.385 nan 8.150 nan 0.000 0.443 355 S N -0.579 115.183 115.700 0.104 0.000 2.383 355 S HA -0.105 4.365 4.470 -0.000 0.000 0.227 355 S C 1.857 176.626 174.600 0.281 0.000 1.026 355 S CA 1.337 59.626 58.200 0.148 0.000 0.981 355 S CB -0.348 62.937 63.200 0.143 0.000 0.818 355 S HN 0.343 nan 8.310 nan 0.000 0.472 356 V N 1.703 121.750 119.914 0.222 0.000 2.358 356 V HA -0.094 4.026 4.120 -0.000 0.000 0.246 356 V C 2.218 178.443 176.094 0.218 0.000 1.047 356 V CA 1.298 63.742 62.300 0.240 0.000 1.035 356 V CB -0.574 31.337 31.823 0.147 0.000 0.658 356 V HN 0.359 nan 8.190 nan 0.000 0.452 357 L N -0.443 120.872 121.223 0.154 0.000 2.042 357 L HA -0.213 4.127 4.340 -0.000 0.000 0.210 357 L C 2.277 179.198 176.870 0.086 0.000 1.076 357 L CA 2.157 57.060 54.840 0.106 0.000 0.749 357 L CB -0.971 41.140 42.059 0.087 0.000 0.893 357 L HN 0.481 nan 8.230 nan 0.000 0.432 358 Y N -0.440 119.826 120.300 -0.057 0.000 2.053 358 Y HA -0.338 4.212 4.550 -0.000 0.000 0.277 358 Y C 2.172 177.931 175.900 -0.234 0.000 1.159 358 Y CA 2.313 60.285 58.100 -0.214 0.000 1.125 358 Y CB -0.690 37.542 38.460 -0.379 0.000 0.969 358 Y HN 0.218 nan 8.280 nan 0.000 0.492 359 F N -1.093 118.882 119.950 0.041 0.000 2.259 359 F HA -0.120 4.407 4.527 -0.000 0.000 0.298 359 F C 2.119 177.878 175.800 -0.069 0.000 1.088 359 F CA 0.868 58.832 58.000 -0.060 0.000 1.358 359 F CB -0.855 38.218 39.000 0.123 0.000 1.040 359 F HN 0.155 nan 8.300 nan 0.000 0.505 360 L N -0.042 121.266 121.223 0.141 0.000 2.027 360 L HA -0.157 4.183 4.340 -0.000 0.000 0.206 360 L C 2.154 179.018 176.870 -0.009 0.000 1.074 360 L CA 1.680 56.563 54.840 0.072 0.000 0.745 360 L CB -0.874 41.229 42.059 0.072 0.000 0.898 360 L HN 0.088 nan 8.230 nan 0.000 0.433 361 L N -1.089 120.096 121.223 -0.064 0.000 1.989 361 L HA -0.282 4.058 4.340 -0.000 0.000 0.211 361 L C 2.462 179.242 176.870 -0.150 0.000 1.071 361 L CA 1.783 56.558 54.840 -0.108 0.000 0.749 361 L CB -0.475 41.495 42.059 -0.148 0.000 0.890 361 L HN 0.265 nan 8.230 nan 0.000 0.431 362 I N -0.746 119.681 120.570 -0.239 0.000 2.286 362 I HA -0.276 3.894 4.170 -0.000 0.000 0.245 362 I C 2.222 178.259 176.117 -0.133 0.000 1.104 362 I CA 1.247 62.400 61.300 -0.245 0.000 1.397 362 I CB -0.115 37.642 38.000 -0.406 0.000 1.072 362 I HN 0.202 nan 8.210 nan 0.000 0.417 363 L N -0.768 120.421 121.223 -0.057 0.000 2.307 363 L HA -0.010 4.330 4.340 -0.000 0.000 0.211 363 L C 1.902 178.771 176.870 -0.001 0.000 1.099 363 L CA 0.427 55.270 54.840 0.006 0.000 0.816 363 L CB -0.014 42.102 42.059 0.095 0.000 0.952 363 L HN 0.083 nan 8.230 nan 0.000 0.455 364 V N -1.439 118.469 119.914 -0.009 0.000 3.054 364 V HA 0.012 4.132 4.120 -0.000 0.000 0.227 364 V C 1.985 178.065 176.094 -0.023 0.000 1.252 364 V CA 0.052 62.347 62.300 -0.008 0.000 1.279 364 V CB 0.188 32.017 31.823 0.010 0.000 1.118 364 V HN 0.112 nan 8.190 nan 0.000 0.504 365 L N -0.323 120.885 121.223 -0.025 0.000 2.042 365 L HA -0.225 4.115 4.340 -0.000 0.000 0.210 365 L C 2.549 179.391 176.870 -0.046 0.000 1.076 365 L CA 2.002 56.825 54.840 -0.028 0.000 0.749 365 L CB -0.495 41.550 42.059 -0.023 0.000 0.893 365 L HN 0.350 nan 8.230 nan 0.000 0.432 366 M N -0.826 118.733 119.600 -0.068 0.000 2.099 366 M HA -0.109 4.371 4.480 -0.000 0.000 0.262 366 M C -0.226 176.017 176.300 -0.095 0.000 1.067 366 M CA 1.924 57.173 55.300 -0.085 0.000 1.124 366 M CB -1.142 31.393 32.600 -0.108 0.000 1.353 366 M HN 0.073 nan 8.290 nan 0.000 0.410 367 P HA -0.086 nan 4.420 nan 0.000 0.217 367 P C 1.226 178.482 177.300 -0.073 0.000 1.150 367 P CA 1.357 64.402 63.100 -0.093 0.000 0.832 367 P CB -0.147 31.511 31.700 -0.069 0.000 0.787 368 T N -0.506 114.018 114.554 -0.050 0.000 2.708 368 T HA -0.146 4.204 4.350 -0.000 0.000 0.266 368 T C 1.900 176.580 174.700 -0.034 0.000 1.037 368 T CA 1.665 63.745 62.100 -0.034 0.000 1.146 368 T CB -1.002 67.854 68.868 -0.020 0.000 0.865 368 T HN 0.029 nan 8.240 nan 0.000 0.435 369 A N 1.432 124.228 122.820 -0.040 0.000 1.940 369 A HA 0.059 4.379 4.320 -0.000 0.000 0.219 369 A C 2.611 180.168 177.584 -0.045 0.000 1.176 369 A CA 1.967 53.984 52.037 -0.034 0.000 0.631 369 A CB -1.424 17.553 19.000 -0.037 0.000 0.814 369 A HN 0.518 nan 8.150 nan 0.000 0.446 370 G N -1.075 107.676 108.800 -0.082 0.000 2.446 370 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.217 370 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.217 370 G C 1.595 176.456 174.900 -0.065 0.000 1.168 370 G CA 1.690 46.722 45.100 -0.113 0.000 0.771 370 G HN 0.430 nan 8.290 nan 0.000 0.551 371 T N 1.224 115.747 114.554 -0.052 0.000 2.746 371 T HA -0.026 4.324 4.350 -0.000 0.000 0.267 371 T C 2.394 177.100 174.700 0.010 0.000 1.039 371 T CA 0.938 63.025 62.100 -0.021 0.000 1.142 371 T CB -0.148 68.708 68.868 -0.021 0.000 0.866 371 T HN 0.243 nan 8.240 nan 0.000 0.444 372 I N 0.893 121.466 120.570 0.005 0.000 2.286 372 I HA -0.160 4.010 4.170 -0.000 0.000 0.248 372 I C 2.541 178.680 176.117 0.036 0.000 1.115 372 I CA 1.370 62.681 61.300 0.018 0.000 1.392 372 I CB -0.355 37.651 38.000 0.010 0.000 1.065 372 I HN 0.339 nan 8.210 nan 0.000 0.418 373 E N 0.683 120.906 120.200 0.038 0.000 2.106 373 E HA -0.188 4.162 4.350 -0.000 0.000 0.192 373 E C 1.877 178.557 176.600 0.134 0.000 0.984 373 E CA 1.000 57.441 56.400 0.068 0.000 0.806 373 E CB -0.110 29.626 29.700 0.059 0.000 0.750 373 E HN 0.447 nan 8.360 nan 0.000 0.458 374 N N 0.932 119.726 118.700 0.157 0.000 2.069 374 N HA -0.151 4.589 4.740 -0.000 0.000 0.191 374 N C 1.536 177.207 175.510 0.268 0.000 1.031 374 N CA 1.011 54.242 53.050 0.301 0.000 0.852 374 N CB -0.092 38.484 38.487 0.148 0.000 1.018 374 N HN 0.038 nan 8.380 nan 0.000 0.423 375 K N 1.024 121.504 120.400 0.134 0.000 2.057 375 K HA 0.027 4.347 4.320 -0.000 0.000 0.207 375 K C 2.184 178.816 176.600 0.052 0.000 1.049 375 K CA 0.476 56.815 56.287 0.086 0.000 0.931 375 K CB -0.747 31.784 32.500 0.052 0.000 0.714 375 K HN 0.267 nan 8.250 nan 0.000 0.440 376 L N 0.532 121.780 121.223 0.043 0.000 2.191 376 L HA -0.101 4.239 4.340 -0.000 0.000 0.212 376 L C 1.939 178.789 176.870 -0.034 0.000 1.103 376 L CA 0.788 55.633 54.840 0.009 0.000 0.769 376 L CB -0.251 41.816 42.059 0.013 0.000 0.908 376 L HN 0.064 nan 8.230 nan 0.000 0.438 377 L N -0.673 120.522 121.223 -0.047 0.000 2.628 377 L HA 0.065 4.405 4.340 -0.000 0.000 0.229 377 L C 0.487 177.175 176.870 -0.305 0.000 1.137 377 L CA 0.021 54.720 54.840 -0.236 0.000 0.909 377 L CB -0.050 41.776 42.059 -0.388 0.000 1.137 377 L HN 0.185 nan 8.230 nan 0.000 0.470 378 K N 0.110 120.457 120.400 -0.089 0.000 3.117 378 K HA -0.192 4.128 4.320 -0.000 0.000 0.269 378 K C -0.857 175.798 176.600 0.091 0.000 1.098 378 K CA 0.783 57.055 56.287 -0.025 0.000 0.785 378 K CB -1.373 31.082 32.500 -0.074 0.000 1.242 378 K HN 0.530 nan 8.250 nan 0.000 0.491 379 W N 0.000 121.296 121.300 -0.006 0.000 2.388 379 W HA 0.000 4.660 4.660 -0.000 0.000 0.303 379 W CA 0.000 57.343 57.345 -0.004 0.000 1.226 379 W CB 0.000 29.458 29.460 -0.003 0.000 1.126 379 W HN 0.000 nan 8.180 nan 0.000 0.535