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 2vvl_1_E DATA FIRST_RESID 1 DATA SEQUENCE MTSRDGYQWT PETGLTQGVP SLGVISPPTN IXXXXXXXPW DVIVIGGGYC DATA SEQUENCE GLTATRDLTV AGFKTLLLEA RDRIGGRSWS SNIDGYPYEM GGTWVHWHQS DATA SEQUENCE HVWREITRYK MHNALSPSFN FSRGVNHFQL RTNPTTSTYM THEAEDELLR DATA SEQUENCE SALHKFTNVD GTNGRTVLPF PHDMFYVPEF RKYDEMSYSE RIDQIRDELS DATA SEQUENCE LNERSSLEAF ILLCSGGTLE NSSFGEFLHW WAMSGYTYQG CMDCLMSYKF DATA SEQUENCE KDGQSAFARR FWEEAAGTGR LGYVFGCPVR SVVNERDAAR VTARDGREFV DATA SEQUENCE AKRVVCTIPL NVLSTIQFSP ALSTERISAM QAGHVSMCTK VHAEVDNKDM DATA SEQUENCE RSWTGIAYPF NKLCYAIGDG TTPAGNTHLV CFGTDANHIQ PDEDVRETLK DATA SEQUENCE AVGQLAPGTF GVKRLVFHNW VKDEFAKGAW FFSRPGMVSE CLQGLREKHG DATA SEQUENCE GVVFANSDWA LGWRSFIDGA IEEGTRAARV VLEE VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.269 176.300 -0.052 0.000 1.140 1 M CA 0.000 55.265 55.300 -0.058 0.000 0.988 1 M CB 0.000 32.552 32.600 -0.081 0.000 1.302 2 T N 0.669 115.193 114.554 -0.051 0.000 2.795 2 T HA 0.525 4.875 4.350 -0.000 0.000 0.282 2 T C -0.306 174.354 174.700 -0.066 0.000 0.980 2 T CA -0.066 62.009 62.100 -0.041 0.000 1.012 2 T CB 1.106 69.953 68.868 -0.035 0.000 0.936 2 T HN 0.660 nan 8.240 nan 0.000 0.457 3 S N 2.423 118.086 115.700 -0.061 0.000 2.693 3 S HA 0.380 4.850 4.470 -0.000 0.000 0.276 3 S C 1.484 176.016 174.600 -0.113 0.000 1.192 3 S CA -0.772 57.348 58.200 -0.132 0.000 0.994 3 S CB 0.708 63.765 63.200 -0.238 0.000 1.012 3 S HN 0.859 nan 8.310 nan 0.000 0.550 4 R N 0.826 121.245 120.500 -0.136 0.000 2.276 4 R HA 0.229 4.569 4.340 -0.000 0.000 0.196 4 R C -0.537 175.686 176.300 -0.128 0.000 0.961 4 R CA -0.082 55.949 56.100 -0.114 0.000 1.024 4 R CB -0.434 29.816 30.300 -0.084 0.000 0.940 4 R HN 0.396 nan 8.270 nan 0.000 0.480 5 D N 1.505 121.813 120.400 -0.154 0.000 2.362 5 D HA 0.349 4.988 4.640 -0.000 0.000 0.242 5 D C 0.721 177.113 176.300 0.153 0.000 1.132 5 D CA 1.589 55.552 54.000 -0.062 0.000 0.907 5 D CB 1.044 41.568 40.800 -0.461 0.000 1.195 5 D HN 0.381 nan 8.370 nan 0.000 0.429 6 G N -0.140 108.868 108.800 0.347 0.000 2.730 6 G HA2 -0.090 3.869 3.960 -0.000 0.000 0.686 6 G HA3 -0.090 3.869 3.960 -0.000 0.000 0.686 6 G C -1.528 173.242 174.900 -0.216 0.000 1.343 6 G CA -0.796 44.447 45.100 0.238 0.000 0.826 6 G HN 0.367 nan 8.290 nan 0.000 0.582 7 Y N -0.436 119.707 120.300 -0.261 0.000 2.588 7 Y HA 0.775 5.325 4.550 -0.000 0.000 0.343 7 Y C 0.296 175.894 175.900 -0.503 0.000 1.065 7 Y CA -0.667 57.165 58.100 -0.447 0.000 1.038 7 Y CB 2.497 40.462 38.460 -0.825 0.000 1.297 7 Y HN 0.829 nan 8.280 nan 0.000 0.467 8 Q N 1.119 120.839 119.800 -0.133 0.000 2.345 8 Q HA 0.395 4.735 4.340 -0.000 0.000 0.275 8 Q C -2.313 173.729 176.000 0.069 0.000 1.063 8 Q CA -0.780 54.962 55.803 -0.102 0.000 0.819 8 Q CB 2.637 31.309 28.738 -0.111 0.000 1.356 8 Q HN 0.774 nan 8.270 nan 0.000 0.418 9 W N 3.286 124.548 121.300 -0.064 0.000 2.957 9 W HA 0.593 5.253 4.660 -0.000 0.000 0.336 9 W C -1.367 175.155 176.519 0.006 0.000 1.087 9 W CA -0.303 57.046 57.345 0.006 0.000 1.235 9 W CB 1.858 31.365 29.460 0.079 0.000 1.399 9 W HN 0.654 nan 8.180 nan 0.000 0.480 10 T N 2.982 116.972 114.554 -0.940 0.000 2.906 10 T HA 0.481 4.831 4.350 -0.000 0.000 0.295 10 T C -2.184 171.518 174.700 -1.663 0.000 1.075 10 T CA -1.900 59.580 62.100 -1.034 0.000 1.005 10 T CB 2.280 70.880 68.868 -0.447 0.000 1.136 10 T HN 0.239 nan 8.240 nan 0.000 0.498 11 P HA -0.142 nan 4.420 nan 0.000 0.216 11 P C 0.951 178.018 177.300 -0.389 0.000 1.153 11 P CA 1.451 64.173 63.100 -0.630 0.000 0.858 11 P CB 0.119 31.706 31.700 -0.189 0.000 0.789 12 E N -0.538 119.470 120.200 -0.320 0.000 2.150 12 E HA -0.097 4.253 4.350 -0.000 0.000 0.193 12 E C 1.787 178.269 176.600 -0.196 0.000 0.985 12 E CA 1.921 58.202 56.400 -0.199 0.000 0.814 12 E CB -1.028 28.585 29.700 -0.146 0.000 0.752 12 E HN 0.439 nan 8.360 nan 0.000 0.466 13 T N -3.465 110.921 114.554 -0.279 0.000 3.010 13 T HA 0.469 4.819 4.350 -0.000 0.000 0.257 13 T C 1.122 175.710 174.700 -0.187 0.000 1.020 13 T CA -0.059 61.922 62.100 -0.198 0.000 0.938 13 T CB 0.300 69.066 68.868 -0.170 0.000 1.049 13 T HN 0.285 nan 8.240 nan 0.000 0.522 14 G N 1.797 110.415 108.800 -0.303 0.000 2.601 14 G HA2 -0.124 3.836 3.960 -0.000 0.000 0.252 14 G HA3 -0.124 3.836 3.960 -0.000 0.000 0.252 14 G C -0.655 174.232 174.900 -0.022 0.000 1.294 14 G CA -0.248 44.778 45.100 -0.125 0.000 0.912 14 G HN 0.820 nan 8.290 nan 0.000 0.574 15 L N 1.691 123.066 121.223 0.253 0.000 2.260 15 L HA 0.674 5.014 4.340 -0.000 0.000 0.289 15 L C 1.064 178.038 176.870 0.174 0.000 1.057 15 L CA 0.567 55.588 54.840 0.302 0.000 0.811 15 L CB 0.920 43.188 42.059 0.350 0.000 1.184 15 L HN 1.180 nan 8.230 nan 0.000 0.429 16 T N 1.760 116.386 114.554 0.120 0.000 2.823 16 T HA 0.476 4.826 4.350 -0.000 0.000 0.279 16 T C -0.403 174.319 174.700 0.038 0.000 0.998 16 T CA -0.746 61.390 62.100 0.059 0.000 0.994 16 T CB 1.500 70.364 68.868 -0.006 0.000 0.960 16 T HN 0.683 nan 8.240 nan 0.000 0.448 17 Q N 1.257 121.032 119.800 -0.042 0.000 2.230 17 Q HA 0.546 4.886 4.340 -0.000 0.000 0.253 17 Q C 0.193 176.076 176.000 -0.196 0.000 0.919 17 Q CA 0.097 55.738 55.803 -0.269 0.000 0.908 17 Q CB 0.666 29.209 28.738 -0.324 0.000 1.245 17 Q HN 1.439 nan 8.270 nan 0.000 0.437 18 G N 0.764 109.431 108.800 -0.222 0.000 3.039 18 G HA2 0.059 4.019 3.960 -0.000 0.000 0.686 18 G HA3 0.059 4.019 3.960 -0.000 0.000 0.686 18 G C -1.013 173.852 174.900 -0.059 0.000 1.066 18 G CA -0.413 44.620 45.100 -0.112 0.000 0.774 18 G HN 1.262 nan 8.290 nan 0.000 0.591 19 V N 0.049 119.967 119.914 0.006 0.000 3.147 19 V HA 0.964 5.084 4.120 -0.000 0.000 0.306 19 V C -2.641 173.497 176.094 0.074 0.000 1.209 19 V CA -2.483 59.831 62.300 0.024 0.000 1.023 19 V CB 2.165 33.994 31.823 0.010 0.000 1.059 19 V HN 0.711 nan 8.190 nan 0.000 0.435 20 P HA 0.409 nan 4.420 nan 0.000 0.269 20 P C -0.596 176.775 177.300 0.118 0.000 1.215 20 P CA 0.340 63.468 63.100 0.047 0.000 0.780 20 P CB 0.814 32.525 31.700 0.020 0.000 0.898 21 S N 1.210 116.960 115.700 0.083 0.000 2.563 21 S HA 0.240 4.710 4.470 -0.000 0.000 0.279 21 S C 0.581 175.179 174.600 -0.003 0.000 1.155 21 S CA -0.585 57.684 58.200 0.115 0.000 0.928 21 S CB 0.290 63.669 63.200 0.298 0.000 1.107 21 S HN 0.233 nan 8.310 nan 0.000 0.462 22 L N 3.873 125.087 121.223 -0.015 0.000 2.450 22 L HA 0.090 4.430 4.340 -0.000 0.000 0.224 22 L C 2.456 179.240 176.870 -0.143 0.000 1.149 22 L CA 1.381 56.176 54.840 -0.075 0.000 0.816 22 L CB -0.337 41.686 42.059 -0.061 0.000 0.932 22 L HN 0.865 nan 8.230 nan 0.000 0.449 23 G N -0.665 108.061 108.800 -0.123 0.000 2.534 23 G HA2 -0.033 3.927 3.960 -0.000 0.000 0.217 23 G HA3 -0.033 3.927 3.960 -0.000 0.000 0.217 23 G C 0.729 175.375 174.900 -0.424 0.000 1.128 23 G CA -0.139 44.814 45.100 -0.246 0.000 0.784 23 G HN 0.108 nan 8.290 nan 0.000 0.542 24 V N 1.378 121.080 119.914 -0.354 0.000 2.572 24 V HA 0.204 4.324 4.120 -0.000 0.000 0.291 24 V C -0.016 175.759 176.094 -0.532 0.000 1.039 24 V CA -0.161 61.883 62.300 -0.428 0.000 1.055 24 V CB 1.312 32.974 31.823 -0.270 0.000 0.969 24 V HN 0.100 nan 8.190 nan 0.000 0.482 25 I N 4.704 124.817 120.570 -0.762 0.000 2.312 25 I HA 0.356 4.526 4.170 -0.000 0.000 0.290 25 I C 0.241 176.144 176.117 -0.357 0.000 1.008 25 I CA 0.726 61.579 61.300 -0.745 0.000 1.226 25 I CB 1.651 38.827 38.000 -1.372 0.000 1.371 25 I HN 0.562 nan 8.210 nan 0.000 0.468 26 S N 7.097 122.690 115.700 -0.178 0.000 2.605 26 S HA 0.681 5.150 4.470 -0.000 0.000 0.308 26 S C -2.245 172.379 174.600 0.041 0.000 1.113 26 S CA -1.141 57.031 58.200 -0.047 0.000 1.049 26 S CB 0.784 63.947 63.200 -0.061 0.000 1.001 26 S HN 0.467 nan 8.310 nan 0.000 0.480 27 P HA 0.366 nan 4.420 nan 0.000 0.274 27 P C -2.305 175.125 177.300 0.216 0.000 1.237 27 P CA -1.290 61.879 63.100 0.116 0.000 0.793 27 P CB 0.184 31.950 31.700 0.109 0.000 0.977 28 P HA -0.022 nan 4.420 nan 0.000 0.237 28 P C 0.087 177.633 177.300 0.409 0.000 1.178 28 P CA 0.913 64.191 63.100 0.295 0.000 0.766 28 P CB 0.149 31.952 31.700 0.172 0.000 0.876 29 T N -2.214 112.457 114.554 0.195 0.000 2.864 29 T HA 0.402 4.752 4.350 -0.000 0.000 0.299 29 T C 0.190 174.693 174.700 -0.328 0.000 1.166 29 T CA -0.738 61.283 62.100 -0.131 0.000 1.007 29 T CB 1.260 70.085 68.868 -0.071 0.000 1.219 29 T HN -0.087 nan 8.240 nan 0.000 0.506 30 N N -0.061 118.251 118.700 -0.647 0.000 2.194 30 N HA 0.187 4.927 4.740 -0.000 0.000 0.231 30 N C 0.219 175.638 175.510 -0.151 0.000 1.247 30 N CA -0.589 52.260 53.050 -0.335 0.000 0.884 30 N CB -0.104 38.172 38.487 -0.352 0.000 1.146 30 N HN 0.922 nan 8.380 nan 0.000 0.516 40 W N 0.333 121.667 121.300 0.056 0.000 2.666 40 W HA 0.415 5.075 4.660 -0.000 0.000 0.334 40 W C 0.884 177.443 176.519 0.066 0.000 1.051 40 W CA -0.429 56.952 57.345 0.059 0.000 1.224 40 W CB 1.578 31.070 29.460 0.053 0.000 1.405 40 W HN 0.254 nan 8.180 nan 0.000 0.513 41 D N 0.855 121.454 120.400 0.333 0.000 2.162 41 D HA 0.010 4.650 4.640 -0.000 0.000 0.205 41 D C -0.004 176.393 176.300 0.163 0.000 0.964 41 D CA 1.208 55.359 54.000 0.252 0.000 0.847 41 D CB 0.502 41.528 40.800 0.376 0.000 0.988 41 D HN 0.001 nan 8.370 nan 0.000 0.480 42 V N 1.314 121.326 119.914 0.163 0.000 2.686 42 V HA 0.326 4.446 4.120 -0.000 0.000 0.306 42 V C -0.413 175.676 176.094 -0.009 0.000 1.065 42 V CA -0.719 61.601 62.300 0.035 0.000 0.894 42 V CB 2.762 34.551 31.823 -0.057 0.000 1.004 42 V HN -0.110 nan 8.190 nan 0.000 0.424 43 I N 4.176 124.710 120.570 -0.059 0.000 2.336 43 I HA 0.439 4.609 4.170 -0.000 0.000 0.292 43 I C -0.443 175.588 176.117 -0.144 0.000 0.991 43 I CA -0.625 60.578 61.300 -0.162 0.000 1.227 43 I CB 1.844 39.746 38.000 -0.163 0.000 1.366 43 I HN 0.295 nan 8.210 nan 0.000 0.466 44 V N 7.813 127.622 119.914 -0.175 0.000 2.347 44 V HA 0.357 4.477 4.120 -0.000 0.000 0.280 44 V C 0.213 176.206 176.094 -0.169 0.000 1.021 44 V CA -0.482 61.736 62.300 -0.137 0.000 0.847 44 V CB 1.188 32.949 31.823 -0.104 0.000 0.990 44 V HN 0.454 nan 8.190 nan 0.000 0.444 45 I N 4.981 125.473 120.570 -0.130 0.000 2.291 45 I HA 0.668 4.838 4.170 -0.000 0.000 0.292 45 I C 0.810 176.868 176.117 -0.099 0.000 1.064 45 I CA 0.092 61.312 61.300 -0.132 0.000 1.269 45 I CB 0.785 38.739 38.000 -0.075 0.000 1.418 45 I HN 0.846 nan 8.210 nan 0.000 0.485 46 G N 3.678 112.391 108.800 -0.144 0.000 3.187 46 G HA2 0.041 4.000 3.960 -0.000 0.000 0.682 46 G HA3 0.041 4.000 3.960 -0.000 0.000 0.682 46 G C -0.049 174.782 174.900 -0.114 0.000 1.266 46 G CA -0.521 44.509 45.100 -0.117 0.000 0.902 46 G HN 0.923 nan 8.290 nan 0.000 0.589 47 G N 0.588 109.316 108.800 -0.120 0.000 3.820 47 G HA2 0.660 4.620 3.960 -0.000 0.000 0.293 47 G HA3 0.660 4.620 3.960 -0.000 0.000 0.293 47 G C 0.909 175.731 174.900 -0.130 0.000 1.152 47 G CA 0.962 46.011 45.100 -0.084 0.000 0.921 47 G HN 1.279 nan 8.290 nan 0.000 0.544 48 G N -0.643 108.078 108.800 -0.132 0.000 2.535 48 G HA2 0.296 4.256 3.960 -0.000 0.000 0.282 48 G HA3 0.296 4.256 3.960 -0.000 0.000 0.282 48 G C 0.619 175.371 174.900 -0.247 0.000 1.350 48 G CA -0.509 44.478 45.100 -0.188 0.000 1.039 48 G HN 0.130 nan 8.290 nan 0.000 0.509 49 Y N -1.236 118.985 120.300 -0.133 0.000 2.315 49 Y HA -0.119 4.431 4.550 -0.000 0.000 0.288 49 Y C 2.891 178.641 175.900 -0.251 0.000 1.154 49 Y CA 1.058 58.997 58.100 -0.269 0.000 1.229 49 Y CB -0.588 37.767 38.460 -0.175 0.000 0.980 49 Y HN 0.411 nan 8.280 nan 0.000 0.540 50 C N -0.307 118.987 119.300 -0.011 0.000 2.453 50 C HA -0.026 4.434 4.460 -0.000 0.000 0.277 50 C C 3.019 177.981 174.990 -0.048 0.000 1.262 50 C CA 1.467 60.463 59.018 -0.037 0.000 1.718 50 C CB -1.363 26.340 27.740 -0.060 0.000 2.031 50 C HN 0.657 nan 8.230 nan 0.000 0.480 51 G N 0.447 109.211 108.800 -0.060 0.000 2.421 51 G HA2 -0.120 3.840 3.960 -0.000 0.000 0.216 51 G HA3 -0.120 3.840 3.960 -0.000 0.000 0.216 51 G C 1.616 176.495 174.900 -0.036 0.000 1.171 51 G CA 0.980 46.050 45.100 -0.050 0.000 0.775 51 G HN 0.579 nan 8.290 nan 0.000 0.543 52 L N 0.565 121.742 121.223 -0.078 0.000 2.081 52 L HA -0.126 4.214 4.340 -0.000 0.000 0.212 52 L C 3.140 180.011 176.870 0.001 0.000 1.080 52 L CA 1.619 56.427 54.840 -0.055 0.000 0.754 52 L CB -0.690 41.229 42.059 -0.234 0.000 0.893 52 L HN 0.192 nan 8.230 nan 0.000 0.433 53 T N -0.482 114.035 114.554 -0.061 0.000 2.770 53 T HA -0.057 4.293 4.350 -0.000 0.000 0.263 53 T C 2.034 176.802 174.700 0.113 0.000 1.039 53 T CA 1.131 63.291 62.100 0.100 0.000 1.142 53 T CB -0.164 68.748 68.868 0.073 0.000 0.868 53 T HN 0.424 nan 8.240 nan 0.000 0.435 54 A N 1.429 124.279 122.820 0.050 0.000 1.902 54 A HA -0.106 4.214 4.320 -0.000 0.000 0.217 54 A C 2.539 180.147 177.584 0.040 0.000 1.181 54 A CA 2.002 54.061 52.037 0.037 0.000 0.623 54 A CB -1.252 17.751 19.000 0.005 0.000 0.818 54 A HN 0.457 nan 8.150 nan 0.000 0.443 55 T N -0.583 113.993 114.554 0.036 0.000 2.708 55 T HA -0.142 4.208 4.350 -0.000 0.000 0.266 55 T C 2.153 176.891 174.700 0.063 0.000 1.037 55 T CA 1.308 63.427 62.100 0.032 0.000 1.146 55 T CB -0.267 68.609 68.868 0.014 0.000 0.865 55 T HN 0.400 nan 8.240 nan 0.000 0.435 56 R N 1.334 121.901 120.500 0.112 0.000 2.080 56 R HA -0.134 4.206 4.340 -0.000 0.000 0.236 56 R C 1.798 178.170 176.300 0.119 0.000 1.137 56 R CA 1.852 58.037 56.100 0.141 0.000 0.943 56 R CB -0.800 29.668 30.300 0.280 0.000 0.846 56 R HN 0.311 nan 8.270 nan 0.000 0.431 57 D N 0.551 121.027 120.400 0.126 0.000 2.117 57 D HA -0.115 4.525 4.640 -0.000 0.000 0.197 57 D C 2.086 178.463 176.300 0.129 0.000 0.987 57 D CA 0.943 55.011 54.000 0.113 0.000 0.829 57 D CB -0.180 40.683 40.800 0.105 0.000 0.961 57 D HN 0.232 nan 8.370 nan 0.000 0.460 58 L N 0.569 121.866 121.223 0.124 0.000 2.056 58 L HA -0.129 4.211 4.340 -0.000 0.000 0.207 58 L C 2.643 179.673 176.870 0.267 0.000 1.078 58 L CA 1.560 56.515 54.840 0.192 0.000 0.749 58 L CB -0.730 41.371 42.059 0.070 0.000 0.901 58 L HN 0.163 nan 8.230 nan 0.000 0.433 59 T N -3.449 111.200 114.554 0.158 0.000 2.812 59 T HA -0.115 4.235 4.350 -0.000 0.000 0.264 59 T C 1.829 176.581 174.700 0.087 0.000 1.042 59 T CA 1.007 63.181 62.100 0.122 0.000 1.140 59 T CB -0.777 68.127 68.868 0.061 0.000 0.870 59 T HN 0.054 nan 8.240 nan 0.000 0.445 60 V N 2.132 122.093 119.914 0.077 0.000 2.469 60 V HA -0.043 4.077 4.120 -0.000 0.000 0.251 60 V C 3.012 179.137 176.094 0.052 0.000 1.064 60 V CA 1.602 63.934 62.300 0.053 0.000 1.066 60 V CB -1.181 30.672 31.823 0.050 0.000 0.667 60 V HN 0.729 nan 8.190 nan 0.000 0.461 61 A N -1.029 121.849 122.820 0.097 0.000 2.251 61 A HA 0.435 4.755 4.320 -0.000 0.000 0.209 61 A C 1.814 179.372 177.584 -0.043 0.000 1.187 61 A CA 0.980 53.068 52.037 0.084 0.000 0.823 61 A CB -0.230 18.891 19.000 0.201 0.000 0.846 61 A HN 1.145 nan 8.150 nan 0.000 0.486 62 G N -2.159 106.614 108.800 -0.044 0.000 2.163 62 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.213 62 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.213 62 G C -0.140 174.608 174.900 -0.253 0.000 0.991 62 G CA -0.207 44.788 45.100 -0.175 0.000 0.653 62 G HN 0.261 nan 8.290 nan 0.000 0.518 63 F N 1.581 121.554 119.950 0.038 0.000 2.394 63 F HA 0.512 5.039 4.527 -0.000 0.000 0.340 63 F C 1.108 176.956 175.800 0.081 0.000 1.105 63 F CA -0.472 57.561 58.000 0.055 0.000 1.124 63 F CB 1.118 40.152 39.000 0.056 0.000 1.145 63 F HN -0.160 nan 8.300 nan 0.000 0.505 64 K N 2.597 123.171 120.400 0.291 0.000 2.338 64 K HA 0.270 4.590 4.320 -0.000 0.000 0.290 64 K C -0.630 176.221 176.600 0.419 0.000 1.069 64 K CA 0.005 56.474 56.287 0.303 0.000 0.941 64 K CB 0.260 32.881 32.500 0.201 0.000 1.023 64 K HN 0.562 nan 8.250 nan 0.000 0.477 65 T N 3.412 118.171 114.554 0.342 0.000 2.812 65 T HA 0.272 4.622 4.350 -0.000 0.000 0.282 65 T C -0.928 173.727 174.700 -0.076 0.000 0.990 65 T CA -0.761 61.433 62.100 0.158 0.000 0.960 65 T CB 1.042 69.957 68.868 0.079 0.000 0.948 65 T HN 0.276 nan 8.240 nan 0.000 0.438 66 L N 4.442 125.427 121.223 -0.396 0.000 2.272 66 L HA 0.674 5.014 4.340 -0.000 0.000 0.289 66 L C -1.012 175.567 176.870 -0.484 0.000 1.032 66 L CA -0.878 53.474 54.840 -0.813 0.000 0.810 66 L CB 0.831 41.918 42.059 -1.621 0.000 1.205 66 L HN 0.565 nan 8.230 nan 0.000 0.422 67 L N 6.513 127.527 121.223 -0.349 0.000 2.264 67 L HA 0.519 4.859 4.340 -0.000 0.000 0.289 67 L C -1.262 175.367 176.870 -0.402 0.000 1.044 67 L CA 0.031 54.709 54.840 -0.270 0.000 0.807 67 L CB 0.838 42.846 42.059 -0.084 0.000 1.192 67 L HN 0.581 nan 8.230 nan 0.000 0.425 68 L N 4.986 125.945 121.223 -0.439 0.000 2.294 68 L HA 0.537 4.877 4.340 -0.000 0.000 0.283 68 L C -0.625 175.978 176.870 -0.445 0.000 1.015 68 L CA -0.564 53.976 54.840 -0.501 0.000 0.831 68 L CB 1.562 43.306 42.059 -0.526 0.000 1.217 68 L HN 0.577 nan 8.230 nan 0.000 0.420 69 E N 2.190 122.057 120.200 -0.555 0.000 2.210 69 E HA 0.525 4.875 4.350 -0.000 0.000 0.266 69 E C 0.353 176.731 176.600 -0.370 0.000 0.883 69 E CA -0.270 55.848 56.400 -0.469 0.000 0.761 69 E CB 2.100 31.446 29.700 -0.591 0.000 1.156 69 E HN 0.541 nan 8.360 nan 0.000 0.412 70 A N 5.215 127.775 122.820 -0.434 0.000 1.883 70 A HA -0.114 4.206 4.320 -0.000 0.000 0.217 70 A C 1.146 178.497 177.584 -0.388 0.000 1.186 70 A CA 1.239 52.902 52.037 -0.624 0.000 0.624 70 A CB -0.337 17.739 19.000 -1.540 0.000 0.822 70 A HN 0.647 nan 8.150 nan 0.000 0.444 71 R N -0.372 119.967 120.500 -0.268 0.000 2.668 71 R HA 0.242 4.582 4.340 -0.000 0.000 0.268 71 R C 0.323 176.629 176.300 0.010 0.000 1.232 71 R CA 0.318 56.365 56.100 -0.088 0.000 1.166 71 R CB 0.030 30.261 30.300 -0.115 0.000 1.179 71 R HN 0.532 nan 8.270 nan 0.000 0.606 72 D N -0.415 119.944 120.400 -0.068 0.000 2.342 72 D HA 0.026 4.666 4.640 -0.000 0.000 0.221 72 D C -0.187 175.912 176.300 -0.335 0.000 1.101 72 D CA -0.143 53.790 54.000 -0.112 0.000 0.837 72 D CB 0.049 40.768 40.800 -0.134 0.000 0.938 72 D HN 0.430 nan 8.370 nan 0.000 0.508 73 R N -0.440 119.867 120.500 -0.320 0.000 2.764 73 R HA 0.612 4.952 4.340 -0.000 0.000 0.270 73 R C -0.462 175.634 176.300 -0.341 0.000 1.014 73 R CA -1.128 54.673 56.100 -0.498 0.000 0.904 73 R CB 0.898 30.911 30.300 -0.479 0.000 1.236 73 R HN 0.023 nan 8.270 nan 0.000 0.466 74 I N -1.781 118.531 120.570 -0.431 0.000 2.918 74 I HA 0.803 4.973 4.170 -0.000 0.000 0.316 74 I C 0.716 176.669 176.117 -0.274 0.000 1.001 74 I CA -0.089 61.033 61.300 -0.297 0.000 1.142 74 I CB 1.569 39.332 38.000 -0.395 0.000 1.356 74 I HN 0.955 nan 8.210 nan 0.000 0.524 75 G N 0.817 109.437 108.800 -0.300 0.000 2.284 75 G HA2 -0.026 3.934 3.960 -0.000 0.000 0.216 75 G HA3 -0.026 3.934 3.960 -0.000 0.000 0.216 75 G C 0.954 175.762 174.900 -0.153 0.000 1.009 75 G CA 0.113 45.017 45.100 -0.328 0.000 0.625 75 G HN 1.962 nan 8.290 nan 0.000 0.501 76 G N 0.633 109.384 108.800 -0.082 0.000 2.665 76 G HA2 -0.416 3.543 3.960 -0.000 0.000 0.326 76 G HA3 -0.416 3.543 3.960 -0.000 0.000 0.326 76 G C 0.912 175.956 174.900 0.240 0.000 1.231 76 G CA 1.472 46.602 45.100 0.051 0.000 0.992 76 G HN 1.219 nan 8.290 nan 0.000 0.549 77 R N 0.924 121.504 120.500 0.134 0.000 2.319 77 R HA 0.399 4.739 4.340 -0.000 0.000 0.204 77 R C 0.719 177.041 176.300 0.036 0.000 0.954 77 R CA 0.802 56.806 56.100 -0.159 0.000 1.066 77 R CB 0.043 30.180 30.300 -0.272 0.000 0.991 77 R HN 0.345 nan 8.270 nan 0.000 0.486 78 S N 0.939 116.828 115.700 0.315 0.000 2.614 78 S HA 0.574 5.044 4.470 -0.000 0.000 0.288 78 S C -1.796 173.116 174.600 0.520 0.000 1.137 78 S CA -0.804 57.640 58.200 0.406 0.000 0.992 78 S CB 0.835 64.316 63.200 0.468 0.000 1.026 78 S HN 0.390 nan 8.310 nan 0.000 0.486 79 W N 2.210 123.628 121.300 0.196 0.000 3.319 79 W HA 0.534 5.193 4.660 -0.000 0.000 0.300 79 W C -1.691 174.895 176.519 0.111 0.000 1.244 79 W CA -0.741 56.669 57.345 0.107 0.000 1.193 79 W CB 0.081 29.569 29.460 0.046 0.000 1.359 79 W HN 0.736 nan 8.180 nan 0.000 0.568 80 S N 0.775 116.525 115.700 0.085 0.000 2.568 80 S HA 0.737 5.207 4.470 -0.000 0.000 0.302 80 S C -1.066 173.487 174.600 -0.079 0.000 1.082 80 S CA -0.760 57.369 58.200 -0.118 0.000 1.009 80 S CB 2.273 65.436 63.200 -0.061 0.000 1.069 80 S HN 0.729 nan 8.310 nan 0.000 0.500 81 S N 1.390 116.999 115.700 -0.151 0.000 2.596 81 S HA 0.436 4.906 4.470 -0.000 0.000 0.318 81 S C -1.231 173.381 174.600 0.020 0.000 1.097 81 S CA -0.820 57.354 58.200 -0.044 0.000 1.080 81 S CB -0.118 63.020 63.200 -0.103 0.000 0.991 81 S HN 0.655 nan 8.310 nan 0.000 0.471 82 N N 4.739 123.450 118.700 0.018 0.000 2.402 82 N HA 0.324 5.064 4.740 -0.000 0.000 0.252 82 N C -0.887 174.670 175.510 0.079 0.000 1.118 82 N CA 0.114 53.181 53.050 0.028 0.000 0.945 82 N CB 0.309 38.791 38.487 -0.008 0.000 1.147 82 N HN 0.588 nan 8.380 nan 0.000 0.495 83 I N 1.627 122.308 120.570 0.184 0.000 2.382 83 I HA 0.112 4.282 4.170 -0.000 0.000 0.286 83 I C -0.178 176.048 176.117 0.182 0.000 1.002 83 I CA -0.560 60.836 61.300 0.160 0.000 1.135 83 I CB 1.050 39.111 38.000 0.102 0.000 1.288 83 I HN 0.286 nan 8.210 nan 0.000 0.448 84 D N 5.483 125.938 120.400 0.093 0.000 2.708 84 D HA -0.196 4.444 4.640 -0.000 0.000 0.236 84 D C 1.089 177.441 176.300 0.086 0.000 1.146 84 D CA 1.608 55.652 54.000 0.074 0.000 0.662 84 D CB -1.022 39.818 40.800 0.067 0.000 1.059 84 D HN 1.139 nan 8.370 nan 0.000 0.428 85 G N -0.672 108.172 108.800 0.074 0.000 2.148 85 G HA2 -0.359 3.601 3.960 -0.000 0.000 0.254 85 G HA3 -0.359 3.601 3.960 -0.000 0.000 0.254 85 G C -0.110 174.834 174.900 0.073 0.000 0.981 85 G CA 0.466 45.599 45.100 0.055 0.000 0.670 85 G HN 0.567 nan 8.290 nan 0.000 0.528 86 Y N 1.131 121.388 120.300 -0.073 0.000 2.341 86 Y HA 0.594 5.144 4.550 -0.000 0.000 0.338 86 Y C -2.466 173.265 175.900 -0.280 0.000 0.965 86 Y CA -2.708 55.259 58.100 -0.221 0.000 1.108 86 Y CB 2.336 40.570 38.460 -0.377 0.000 1.180 86 Y HN 0.012 nan 8.280 nan 0.000 0.458 87 P HA 0.149 nan 4.420 nan 0.000 0.281 87 P C -1.641 175.241 177.300 -0.697 0.000 1.286 87 P CA 0.248 63.030 63.100 -0.530 0.000 0.772 87 P CB 0.000 31.447 31.700 -0.421 0.000 0.862 88 Y N 1.644 121.727 120.300 -0.361 0.000 2.367 88 Y HA 0.177 4.727 4.550 -0.000 0.000 0.342 88 Y C 1.247 176.867 175.900 -0.465 0.000 0.979 88 Y CA -0.323 57.477 58.100 -0.501 0.000 1.161 88 Y CB 0.882 39.044 38.460 -0.496 0.000 1.155 88 Y HN 0.251 nan 8.280 nan 0.000 0.503 89 E N 4.763 124.807 120.200 -0.260 0.000 2.180 89 E HA 0.080 4.430 4.350 -0.000 0.000 0.283 89 E C 0.375 177.019 176.600 0.072 0.000 1.061 89 E CA -0.024 56.322 56.400 -0.089 0.000 0.861 89 E CB 1.008 30.684 29.700 -0.040 0.000 1.056 89 E HN 0.751 nan 8.360 nan 0.000 0.407 90 M N 1.149 120.656 119.600 -0.155 0.000 2.394 90 M HA 0.099 4.579 4.480 -0.000 0.000 0.266 90 M C 1.233 177.844 176.300 0.520 0.000 1.098 90 M CA 0.739 56.005 55.300 -0.057 0.000 1.149 90 M CB -0.377 31.610 32.600 -1.021 0.000 1.369 90 M HN 0.461 nan 8.290 nan 0.000 0.450 91 G N -0.595 108.469 108.800 0.440 0.000 3.364 91 G HA2 0.490 4.450 3.960 -0.000 0.000 0.191 91 G HA3 0.490 4.450 3.960 -0.000 0.000 0.191 91 G C -0.233 174.788 174.900 0.201 0.000 1.352 91 G CA -0.080 45.246 45.100 0.376 0.000 0.758 91 G HN 0.378 nan 8.290 nan 0.000 0.730 92 G N -0.336 108.547 108.800 0.137 0.000 2.272 92 G HA2 0.398 4.357 3.960 -0.000 0.000 0.247 92 G HA3 0.398 4.357 3.960 -0.000 0.000 0.247 92 G C 0.427 175.370 174.900 0.072 0.000 1.272 92 G CA 0.849 46.018 45.100 0.116 0.000 0.921 92 G HN 0.431 nan 8.290 nan 0.000 0.495 93 T N 1.951 116.458 114.554 -0.079 0.000 3.238 93 T HA 0.147 4.497 4.350 -0.000 0.000 0.242 93 T C 0.437 174.964 174.700 -0.288 0.000 0.980 93 T CA 0.029 61.921 62.100 -0.347 0.000 1.235 93 T CB 0.267 68.509 68.868 -1.043 0.000 1.069 93 T HN 0.541 nan 8.240 nan 0.000 0.407 94 W N 3.280 124.590 121.300 0.017 0.000 2.381 94 W HA 0.613 5.272 4.660 -0.000 0.000 0.329 94 W C -0.191 176.254 176.519 -0.124 0.000 1.157 94 W CA -0.926 56.380 57.345 -0.064 0.000 1.240 94 W CB 0.720 30.133 29.460 -0.079 0.000 1.199 94 W HN 0.087 nan 8.180 nan 0.000 0.579 95 V N -0.639 119.315 119.914 0.066 0.000 3.159 95 V HA 0.629 4.748 4.120 -0.000 0.000 0.308 95 V C -1.070 174.993 176.094 -0.052 0.000 1.190 95 V CA -0.790 61.466 62.300 -0.073 0.000 1.037 95 V CB 2.749 34.479 31.823 -0.156 0.000 1.060 95 V HN 0.728 nan 8.190 nan 0.000 0.437 96 H N 0.857 119.741 119.070 -0.311 0.000 3.037 96 H HA 0.279 4.834 4.556 -0.000 0.000 0.355 96 H C -0.476 174.469 175.328 -0.637 0.000 1.263 96 H CA 0.001 55.683 56.048 -0.610 0.000 1.129 96 H CB 2.014 31.285 29.762 -0.819 0.000 1.861 96 H HN 0.999 nan 8.280 nan 0.000 0.546 97 W N 1.839 122.351 121.300 -1.314 0.000 2.611 97 W HA 0.067 4.727 4.660 -0.000 0.000 0.251 97 W C 0.639 176.933 176.519 -0.374 0.000 1.265 97 W CA 0.229 56.717 57.345 -1.428 0.000 1.295 97 W CB -0.616 27.588 29.460 -2.094 0.000 1.129 97 W HN 0.522 nan 8.180 nan 0.000 0.630 98 H N 0.747 119.734 119.070 -0.138 0.000 2.547 98 H HA 0.113 4.669 4.556 -0.000 0.000 0.266 98 H C 0.239 175.537 175.328 -0.049 0.000 0.988 98 H CA 0.050 56.075 56.048 -0.037 0.000 1.147 98 H CB 0.094 29.800 29.762 -0.093 0.000 1.365 98 H HN 0.282 nan 8.280 nan 0.000 0.589 99 Q N 0.719 120.436 119.800 -0.139 0.000 2.431 99 Q HA 0.135 4.475 4.340 -0.000 0.000 0.249 99 Q C 0.744 176.748 176.000 0.006 0.000 1.025 99 Q CA -0.296 55.303 55.803 -0.340 0.000 0.835 99 Q CB 2.165 30.330 28.738 -0.955 0.000 1.207 99 Q HN 0.099 nan 8.270 nan 0.000 0.490 100 S N 3.003 118.763 115.700 0.100 0.000 2.359 100 S HA -0.235 4.235 4.470 -0.000 0.000 0.223 100 S C 1.419 176.003 174.600 -0.027 0.000 1.039 100 S CA 1.524 59.725 58.200 0.001 0.000 1.042 100 S CB -0.040 63.045 63.200 -0.192 0.000 0.915 100 S HN 0.733 nan 8.310 nan 0.000 0.439 101 H N -0.339 118.844 119.070 0.188 0.000 2.333 101 H HA 0.054 4.609 4.556 -0.000 0.000 0.302 101 H C 2.499 177.954 175.328 0.211 0.000 1.075 101 H CA 1.447 57.605 56.048 0.184 0.000 1.348 101 H CB -1.023 28.842 29.762 0.173 0.000 1.393 101 H HN 0.378 nan 8.280 nan 0.000 0.509 102 V N 1.262 121.357 119.914 0.301 0.000 2.407 102 V HA -0.208 3.912 4.120 -0.000 0.000 0.248 102 V C 2.170 178.441 176.094 0.296 0.000 1.055 102 V CA 1.494 63.973 62.300 0.299 0.000 1.049 102 V CB -0.489 31.430 31.823 0.160 0.000 0.662 102 V HN 0.541 nan 8.190 nan 0.000 0.455 103 W N 0.513 121.854 121.300 0.069 0.000 2.388 103 W HA -0.134 4.526 4.660 -0.000 0.000 0.294 103 W C 2.623 179.191 176.519 0.082 0.000 1.212 103 W CA 1.547 58.929 57.345 0.061 0.000 1.271 103 W CB -0.168 29.326 29.460 0.057 0.000 1.126 103 W HN 0.176 nan 8.180 nan 0.000 0.535 104 R N 1.133 121.721 120.500 0.148 0.000 2.081 104 R HA -0.177 4.163 4.340 -0.000 0.000 0.235 104 R C 1.692 177.961 176.300 -0.051 0.000 1.131 104 R CA 1.672 57.789 56.100 0.028 0.000 0.960 104 R CB -0.601 29.738 30.300 0.067 0.000 0.856 104 R HN 0.141 nan 8.270 nan 0.000 0.436 105 E N 0.564 120.807 120.200 0.071 0.000 2.106 105 E HA -0.135 4.214 4.350 -0.000 0.000 0.192 105 E C 2.199 178.860 176.600 0.101 0.000 0.984 105 E CA 0.929 57.361 56.400 0.052 0.000 0.806 105 E CB -0.282 29.657 29.700 0.399 0.000 0.750 105 E HN 0.429 nan 8.360 nan 0.000 0.458 106 I N 1.447 122.072 120.570 0.091 0.000 2.179 106 I HA -0.275 3.895 4.170 -0.000 0.000 0.242 106 I C 2.714 178.697 176.117 -0.223 0.000 1.088 106 I CA 1.850 63.100 61.300 -0.083 0.000 1.357 106 I CB -0.496 37.220 38.000 -0.473 0.000 1.051 106 I HN 0.191 nan 8.210 nan 0.000 0.409 107 T N -1.288 113.001 114.554 -0.441 0.000 2.812 107 T HA -0.200 4.150 4.350 -0.000 0.000 0.264 107 T C 2.030 176.634 174.700 -0.160 0.000 1.042 107 T CA 0.903 62.814 62.100 -0.315 0.000 1.140 107 T CB -0.418 68.202 68.868 -0.413 0.000 0.870 107 T HN 0.254 nan 8.240 nan 0.000 0.445 108 R N -0.320 120.058 120.500 -0.205 0.000 2.105 108 R HA -0.098 4.242 4.340 -0.000 0.000 0.239 108 R C 1.590 177.761 176.300 -0.215 0.000 1.135 108 R CA 1.415 57.369 56.100 -0.243 0.000 0.967 108 R CB -0.395 29.687 30.300 -0.364 0.000 0.861 108 R HN 0.473 nan 8.270 nan 0.000 0.442 109 Y N 0.634 120.895 120.300 -0.065 0.000 2.490 109 Y HA 0.164 4.714 4.550 -0.000 0.000 0.281 109 Y C 0.175 176.063 175.900 -0.019 0.000 1.174 109 Y CA 0.180 58.246 58.100 -0.055 0.000 1.295 109 Y CB 0.049 38.472 38.460 -0.062 0.000 1.062 109 Y HN 0.014 nan 8.280 nan 0.000 0.522 110 K N -0.572 119.908 120.400 0.133 0.000 3.096 110 K HA -0.250 4.070 4.320 -0.000 0.000 0.266 110 K C 0.280 176.864 176.600 -0.026 0.000 1.043 110 K CA 0.827 57.199 56.287 0.141 0.000 0.758 110 K CB -1.787 30.775 32.500 0.104 0.000 1.260 110 K HN 0.398 nan 8.250 nan 0.000 0.481 111 M N -0.183 119.416 119.600 -0.002 0.000 2.405 111 M HA 0.053 4.533 4.480 -0.000 0.000 0.292 111 M C 1.630 177.839 176.300 -0.151 0.000 1.111 111 M CA -0.219 55.050 55.300 -0.051 0.000 0.979 111 M CB 0.183 32.854 32.600 0.118 0.000 1.426 111 M HN 0.309 nan 8.290 nan 0.000 0.509 112 H N -0.722 118.221 119.070 -0.212 0.000 2.457 112 H HA -0.006 4.550 4.556 -0.000 0.000 0.297 112 H C 0.541 175.840 175.328 -0.048 0.000 1.092 112 H CA 1.044 56.943 56.048 -0.248 0.000 1.309 112 H CB -0.504 29.121 29.762 -0.228 0.000 1.382 112 H HN 0.325 nan 8.280 nan 0.000 0.535 113 N N 0.512 118.941 118.700 -0.452 0.000 2.235 113 N HA 0.240 4.980 4.740 -0.000 0.000 0.209 113 N C 0.413 175.842 175.510 -0.134 0.000 1.122 113 N CA 0.602 53.507 53.050 -0.242 0.000 0.845 113 N CB 0.872 39.181 38.487 -0.297 0.000 1.004 113 N HN 0.481 nan 8.380 nan 0.000 0.499 114 A N 0.442 123.208 122.820 -0.090 0.000 2.827 114 A HA 0.411 4.731 4.320 -0.000 0.000 0.300 114 A C 0.054 177.672 177.584 0.057 0.000 1.237 114 A CA -0.259 51.775 52.037 -0.004 0.000 0.964 114 A CB -0.128 18.886 19.000 0.022 0.000 1.143 114 A HN 0.082 nan 8.150 nan 0.000 0.554 115 L N -0.322 120.910 121.223 0.015 0.000 2.330 115 L HA 0.605 4.944 4.340 -0.000 0.000 0.271 115 L C 0.066 176.966 176.870 0.050 0.000 1.013 115 L CA -0.562 54.286 54.840 0.012 0.000 0.816 115 L CB 2.156 44.209 42.059 -0.011 0.000 1.287 115 L HN 0.126 nan 8.230 nan 0.000 0.435 116 S N 0.928 116.684 115.700 0.094 0.000 2.532 116 S HA 0.564 5.034 4.470 -0.000 0.000 0.301 116 S C -2.607 172.139 174.600 0.244 0.000 1.083 116 S CA -1.187 57.092 58.200 0.132 0.000 1.025 116 S CB 2.025 65.285 63.200 0.101 0.000 1.056 116 S HN 0.325 nan 8.310 nan 0.000 0.494 117 P HA 0.314 nan 4.420 nan 0.000 0.276 117 P C 0.059 177.434 177.300 0.125 0.000 1.243 117 P CA -0.119 63.133 63.100 0.254 0.000 0.768 117 P CB 0.847 32.672 31.700 0.208 0.000 0.856 118 S N 2.025 117.762 115.700 0.062 0.000 2.383 118 S HA 0.010 4.480 4.470 -0.000 0.000 0.227 118 S C 0.553 174.980 174.600 -0.288 0.000 1.026 118 S CA 0.956 59.117 58.200 -0.065 0.000 0.981 118 S CB -0.508 62.649 63.200 -0.072 0.000 0.818 118 S HN 0.382 nan 8.310 nan 0.000 0.472 119 F N 2.434 122.286 119.950 -0.164 0.000 2.410 119 F HA 0.495 5.022 4.527 -0.000 0.000 0.348 119 F C 0.548 176.101 175.800 -0.413 0.000 1.106 119 F CA -0.837 56.920 58.000 -0.405 0.000 1.163 119 F CB 0.549 39.139 39.000 -0.684 0.000 1.129 119 F HN -0.023 nan 8.300 nan 0.000 0.516 120 N N 3.313 121.875 118.700 -0.230 0.000 2.664 120 N HA 0.167 4.907 4.740 -0.000 0.000 0.268 120 N C -1.096 174.457 175.510 0.072 0.000 1.222 120 N CA -0.364 52.631 53.050 -0.092 0.000 0.805 120 N CB 0.198 38.706 38.487 0.034 0.000 1.399 120 N HN 0.253 nan 8.380 nan 0.000 0.547 121 F N 1.020 121.032 119.950 0.103 0.000 2.645 121 F HA 0.192 4.719 4.527 -0.000 0.000 0.300 121 F C 2.090 177.953 175.800 0.105 0.000 1.115 121 F CA -0.298 57.767 58.000 0.107 0.000 1.355 121 F CB -0.379 38.668 39.000 0.079 0.000 1.026 121 F HN 0.499 nan 8.300 nan 0.000 0.536 122 S N 0.570 116.414 115.700 0.241 0.000 2.603 122 S HA 0.174 4.644 4.470 -0.000 0.000 0.220 122 S C 0.638 175.321 174.600 0.139 0.000 0.967 122 S CA -0.302 57.997 58.200 0.164 0.000 0.920 122 S CB -0.145 63.124 63.200 0.115 0.000 0.773 122 S HN 0.544 nan 8.310 nan 0.000 0.529 123 R N -2.122 118.471 120.500 0.155 0.000 2.764 123 R HA 0.611 4.951 4.340 -0.000 0.000 0.276 123 R C 0.228 176.604 176.300 0.126 0.000 1.021 123 R CA -0.617 55.553 56.100 0.118 0.000 0.870 123 R CB -0.202 30.153 30.300 0.093 0.000 1.293 123 R HN 0.656 nan 8.270 nan 0.000 0.469 124 G N -0.337 108.517 108.800 0.090 0.000 2.632 124 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.224 124 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.224 124 G C 0.698 175.624 174.900 0.044 0.000 1.341 124 G CA 0.381 45.526 45.100 0.075 0.000 0.880 124 G HN 1.521 nan 8.290 nan 0.000 0.566 125 V N -1.882 118.030 119.914 -0.003 0.000 2.469 125 V HA -0.044 4.076 4.120 -0.000 0.000 0.251 125 V C 1.650 177.622 176.094 -0.202 0.000 1.064 125 V CA 2.441 64.647 62.300 -0.157 0.000 1.066 125 V CB -1.251 30.362 31.823 -0.349 0.000 0.667 125 V HN 2.637 nan 8.190 nan 0.000 0.461 126 N N 1.591 120.273 118.700 -0.029 0.000 2.707 126 N HA -0.233 4.507 4.740 -0.000 0.000 0.253 126 N C -0.265 175.173 175.510 -0.120 0.000 0.998 126 N CA 1.381 54.460 53.050 0.048 0.000 0.751 126 N CB -1.752 36.787 38.487 0.087 0.000 0.920 126 N HN 1.171 nan 8.380 nan 0.000 0.539 127 H N -2.361 116.635 119.070 -0.123 0.000 2.985 127 H HA 0.633 5.188 4.556 -0.000 0.000 0.360 127 H C -1.343 173.764 175.328 -0.368 0.000 1.221 127 H CA -1.265 54.574 56.048 -0.349 0.000 1.121 127 H CB 0.080 29.803 29.762 -0.065 0.000 1.854 127 H HN 0.021 nan 8.280 nan 0.000 0.551 128 F N 1.482 121.261 119.950 -0.285 0.000 2.436 128 F HA 0.422 4.949 4.527 -0.000 0.000 0.340 128 F C -0.406 175.309 175.800 -0.142 0.000 1.113 128 F CA -0.618 57.240 58.000 -0.238 0.000 1.022 128 F CB 1.809 40.660 39.000 -0.248 0.000 1.128 128 F HN 0.770 nan 8.300 nan 0.000 0.466 129 Q N 6.905 126.196 119.800 -0.850 0.000 2.368 129 Q HA 0.507 4.847 4.340 -0.000 0.000 0.263 129 Q C -2.044 173.313 176.000 -1.072 0.000 1.009 129 Q CA -1.004 54.346 55.803 -0.756 0.000 0.818 129 Q CB 1.449 30.124 28.738 -0.105 0.000 1.239 129 Q HN 0.822 nan 8.270 nan 0.000 0.464 130 L N 4.218 124.865 121.223 -0.961 0.000 2.307 130 L HA 0.577 4.917 4.340 -0.000 0.000 0.284 130 L C -1.357 175.337 176.870 -0.292 0.000 1.023 130 L CA -0.098 54.366 54.840 -0.627 0.000 0.810 130 L CB 1.433 43.222 42.059 -0.448 0.000 1.231 130 L HN 0.634 nan 8.230 nan 0.000 0.423 131 R N 2.787 123.235 120.500 -0.088 0.000 2.451 131 R HA 0.381 4.721 4.340 -0.000 0.000 0.307 131 R C 0.185 176.650 176.300 0.275 0.000 0.965 131 R CA 0.244 56.401 56.100 0.095 0.000 0.865 131 R CB 1.549 31.990 30.300 0.236 0.000 1.174 131 R HN 0.816 nan 8.270 nan 0.000 0.455 132 T N -1.557 113.117 114.554 0.201 0.000 3.023 132 T HA 0.081 4.431 4.350 -0.000 0.000 0.253 132 T C 0.286 175.099 174.700 0.188 0.000 1.038 132 T CA -0.078 62.158 62.100 0.227 0.000 0.962 132 T CB -0.205 68.730 68.868 0.111 0.000 1.018 132 T HN 0.641 nan 8.240 nan 0.000 0.521 133 N N -0.317 118.361 118.700 -0.036 0.000 2.494 133 N HA 0.513 5.253 4.740 -0.000 0.000 0.270 133 N C -2.985 171.934 175.510 -0.985 0.000 1.285 133 N CA -1.985 50.783 53.050 -0.470 0.000 0.812 133 N CB 1.124 39.461 38.487 -0.252 0.000 1.557 133 N HN -0.300 nan 8.380 nan 0.000 0.487 134 P HA -0.030 nan 4.420 nan 0.000 0.226 134 P C 0.578 177.635 177.300 -0.405 0.000 1.153 134 P CA 1.205 63.713 63.100 -0.988 0.000 0.777 134 P CB 0.067 31.390 31.700 -0.629 0.000 0.794 135 T N -7.064 107.306 114.554 -0.306 0.000 3.040 135 T HA 0.176 4.526 4.350 -0.000 0.000 0.250 135 T C 0.679 175.307 174.700 -0.120 0.000 1.058 135 T CA 0.155 62.155 62.100 -0.167 0.000 0.988 135 T CB -0.297 68.493 68.868 -0.128 0.000 0.993 135 T HN -0.087 nan 8.240 nan 0.000 0.519 136 T N 0.684 115.157 114.554 -0.134 0.000 2.901 136 T HA 0.680 5.030 4.350 -0.000 0.000 0.293 136 T C -1.418 173.217 174.700 -0.108 0.000 1.084 136 T CA -0.461 61.582 62.100 -0.095 0.000 1.008 136 T CB 2.068 70.884 68.868 -0.085 0.000 1.170 136 T HN 0.188 nan 8.240 nan 0.000 0.509 137 S N 0.575 116.185 115.700 -0.150 0.000 2.595 137 S HA 0.723 5.193 4.470 -0.000 0.000 0.281 137 S C -1.184 173.180 174.600 -0.393 0.000 1.117 137 S CA -0.665 57.340 58.200 -0.325 0.000 0.873 137 S CB 2.096 64.974 63.200 -0.537 0.000 1.108 137 S HN 0.734 nan 8.310 nan 0.000 0.477 138 T N 2.539 116.795 114.554 -0.496 0.000 2.809 138 T HA 0.522 4.872 4.350 -0.000 0.000 0.284 138 T C -1.426 172.927 174.700 -0.578 0.000 0.992 138 T CA -0.278 61.588 62.100 -0.390 0.000 0.957 138 T CB 0.277 69.017 68.868 -0.214 0.000 0.942 138 T HN 0.404 nan 8.240 nan 0.000 0.439 139 Y N 2.409 122.580 120.300 -0.216 0.000 2.334 139 Y HA 0.746 5.296 4.550 -0.000 0.000 0.328 139 Y C 0.316 176.097 175.900 -0.199 0.000 1.130 139 Y CA -1.034 56.877 58.100 -0.315 0.000 1.163 139 Y CB 1.525 39.742 38.460 -0.405 0.000 1.207 139 Y HN 0.472 nan 8.280 nan 0.000 0.471 140 M N 1.182 120.773 119.600 -0.015 0.000 2.578 140 M HA 0.358 4.838 4.480 -0.000 0.000 0.276 140 M C -0.766 175.531 176.300 -0.005 0.000 1.245 140 M CA -0.679 54.637 55.300 0.026 0.000 0.871 140 M CB 2.241 34.915 32.600 0.124 0.000 1.722 140 M HN 0.779 nan 8.290 nan 0.000 0.473 141 T N -1.834 112.699 114.554 -0.034 0.000 2.828 141 T HA 0.282 4.632 4.350 -0.000 0.000 0.290 141 T C 0.916 175.508 174.700 -0.180 0.000 1.019 141 T CA -0.323 61.708 62.100 -0.115 0.000 1.031 141 T CB 0.513 69.347 68.868 -0.055 0.000 1.001 141 T HN 0.673 nan 8.240 nan 0.000 0.531 142 H N -0.112 118.860 119.070 -0.163 0.000 2.423 142 H HA -0.020 4.535 4.556 -0.000 0.000 0.297 142 H C 2.123 177.356 175.328 -0.159 0.000 1.075 142 H CA 1.833 57.719 56.048 -0.271 0.000 1.342 142 H CB -0.006 29.353 29.762 -0.672 0.000 1.395 142 H HN 0.907 nan 8.280 nan 0.000 0.530 143 E N 0.605 120.804 120.200 -0.002 0.000 2.051 143 E HA -0.107 4.243 4.350 -0.000 0.000 0.192 143 E C 2.360 178.942 176.600 -0.029 0.000 0.991 143 E CA 0.986 57.384 56.400 -0.004 0.000 0.799 143 E CB 0.067 29.768 29.700 0.001 0.000 0.748 143 E HN 0.379 nan 8.360 nan 0.000 0.449 144 A N 0.941 123.739 122.820 -0.036 0.000 1.969 144 A HA -0.209 4.111 4.320 -0.000 0.000 0.218 144 A C 2.071 179.612 177.584 -0.073 0.000 1.169 144 A CA 1.516 53.530 52.037 -0.039 0.000 0.635 144 A CB -0.545 18.446 19.000 -0.015 0.000 0.810 144 A HN 0.450 nan 8.150 nan 0.000 0.445 145 E N 0.109 120.244 120.200 -0.108 0.000 2.031 145 E HA -0.263 4.087 4.350 -0.000 0.000 0.193 145 E C 1.212 177.636 176.600 -0.292 0.000 0.994 145 E CA 1.536 57.760 56.400 -0.294 0.000 0.800 145 E CB -0.214 29.202 29.700 -0.474 0.000 0.752 145 E HN 0.517 nan 8.360 nan 0.000 0.447 146 D N 0.351 120.661 120.400 -0.150 0.000 2.123 146 D HA -0.192 4.448 4.640 -0.000 0.000 0.196 146 D C 1.915 178.098 176.300 -0.194 0.000 0.992 146 D CA 1.299 55.255 54.000 -0.073 0.000 0.833 146 D CB -0.313 40.531 40.800 0.074 0.000 0.954 146 D HN 0.221 nan 8.370 nan 0.000 0.455 147 E N 0.660 120.781 120.200 -0.133 0.000 2.051 147 E HA -0.134 4.216 4.350 -0.000 0.000 0.192 147 E C 2.045 178.547 176.600 -0.163 0.000 0.991 147 E CA 0.511 56.841 56.400 -0.117 0.000 0.799 147 E CB -0.509 29.148 29.700 -0.071 0.000 0.748 147 E HN 0.216 nan 8.360 nan 0.000 0.449 148 L N -0.136 120.980 121.223 -0.179 0.000 2.017 148 L HA -0.092 4.248 4.340 -0.000 0.000 0.208 148 L C 2.298 179.008 176.870 -0.266 0.000 1.073 148 L CA 1.572 56.307 54.840 -0.175 0.000 0.745 148 L CB -0.425 41.556 42.059 -0.131 0.000 0.894 148 L HN 0.242 nan 8.230 nan 0.000 0.432 149 L N -0.774 120.181 121.223 -0.446 0.000 2.056 149 L HA -0.191 4.148 4.340 -0.000 0.000 0.207 149 L C 2.773 179.270 176.870 -0.622 0.000 1.078 149 L CA 1.536 55.977 54.840 -0.665 0.000 0.749 149 L CB -0.460 40.919 42.059 -1.134 0.000 0.901 149 L HN 0.252 nan 8.230 nan 0.000 0.433 150 R N -0.753 119.411 120.500 -0.559 0.000 2.105 150 R HA -0.200 4.140 4.340 -0.000 0.000 0.239 150 R C 2.553 178.819 176.300 -0.057 0.000 1.135 150 R CA 1.701 57.677 56.100 -0.207 0.000 0.967 150 R CB -0.226 30.025 30.300 -0.081 0.000 0.861 150 R HN 0.259 nan 8.270 nan 0.000 0.442 151 S N -0.668 114.975 115.700 -0.096 0.000 2.357 151 S HA -0.033 4.437 4.470 -0.000 0.000 0.221 151 S C 1.948 176.547 174.600 -0.002 0.000 1.031 151 S CA 0.949 59.135 58.200 -0.023 0.000 0.982 151 S CB -0.245 62.924 63.200 -0.052 0.000 0.853 151 S HN 0.509 nan 8.310 nan 0.000 0.458 152 A N 1.546 124.312 122.820 -0.090 0.000 1.877 152 A HA 0.026 4.346 4.320 -0.000 0.000 0.216 152 A C 2.230 179.761 177.584 -0.087 0.000 1.186 152 A CA 1.581 53.553 52.037 -0.108 0.000 0.620 152 A CB -0.982 17.907 19.000 -0.185 0.000 0.822 152 A HN 0.568 nan 8.150 nan 0.000 0.443 153 L N -1.480 119.676 121.223 -0.113 0.000 2.131 153 L HA -0.193 4.147 4.340 -0.000 0.000 0.210 153 L C 2.594 179.454 176.870 -0.018 0.000 1.092 153 L CA 1.622 56.414 54.840 -0.079 0.000 0.759 153 L CB -0.580 41.460 42.059 -0.031 0.000 0.903 153 L HN 0.693 nan 8.230 nan 0.000 0.435 154 H N 0.590 119.669 119.070 0.015 0.000 2.321 154 H HA -0.177 4.378 4.556 -0.000 0.000 0.300 154 H C 2.195 177.534 175.328 0.018 0.000 1.087 154 H CA 1.835 57.920 56.048 0.062 0.000 1.319 154 H CB 0.127 29.932 29.762 0.071 0.000 1.379 154 H HN 0.111 nan 8.280 nan 0.000 0.501 155 K N -0.940 119.408 120.400 -0.087 0.000 2.097 155 K HA -0.110 4.210 4.320 -0.000 0.000 0.206 155 K C 2.006 178.543 176.600 -0.105 0.000 1.049 155 K CA 1.244 57.452 56.287 -0.133 0.000 0.933 155 K CB -0.220 32.265 32.500 -0.025 0.000 0.717 155 K HN 0.225 nan 8.250 nan 0.000 0.442 156 F N 1.671 121.485 119.950 -0.226 0.000 2.163 156 F HA -0.176 4.351 4.527 -0.000 0.000 0.297 156 F C 2.377 178.098 175.800 -0.132 0.000 1.094 156 F CA 1.763 59.630 58.000 -0.222 0.000 1.290 156 F CB -0.427 38.412 39.000 -0.268 0.000 1.017 156 F HN 0.023 nan 8.300 nan 0.000 0.483 157 T N -2.714 111.719 114.554 -0.201 0.000 3.081 157 T HA 0.008 4.358 4.350 -0.000 0.000 0.255 157 T C 1.226 175.803 174.700 -0.205 0.000 1.113 157 T CA 0.360 62.269 62.100 -0.319 0.000 1.082 157 T CB -0.656 67.737 68.868 -0.792 0.000 0.939 157 T HN 0.089 nan 8.240 nan 0.000 0.506 158 N N 2.481 121.039 118.700 -0.236 0.000 2.906 158 N HA 0.076 4.816 4.740 -0.000 0.000 0.282 158 N C 1.417 176.844 175.510 -0.138 0.000 1.293 158 N CA -0.048 52.879 53.050 -0.205 0.000 1.059 158 N CB -0.110 38.137 38.487 -0.400 0.000 1.388 158 N HN 0.494 nan 8.380 nan 0.000 0.533 159 V N -2.108 117.725 119.914 -0.135 0.000 2.913 159 V HA -0.050 4.070 4.120 -0.000 0.000 0.260 159 V C 0.789 176.865 176.094 -0.030 0.000 1.098 159 V CA 1.747 63.974 62.300 -0.121 0.000 1.121 159 V CB -0.370 31.238 31.823 -0.360 0.000 0.714 159 V HN 0.364 nan 8.190 nan 0.000 0.487 160 D N -1.544 118.845 120.400 -0.017 0.000 2.525 160 D HA 0.332 4.971 4.640 -0.000 0.000 0.231 160 D C 1.471 177.790 176.300 0.032 0.000 1.216 160 D CA 0.513 54.536 54.000 0.040 0.000 0.813 160 D CB 0.458 41.295 40.800 0.063 0.000 1.108 160 D HN 0.737 nan 8.370 nan 0.000 0.524 161 G N 0.583 109.393 108.800 0.016 0.000 2.213 161 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.236 161 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.236 161 G C 0.851 175.777 174.900 0.043 0.000 0.991 161 G CA 0.625 45.742 45.100 0.028 0.000 0.629 161 G HN 0.895 nan 8.290 nan 0.000 0.517 162 T N -2.405 112.171 114.554 0.037 0.000 3.460 162 T HA 0.397 4.747 4.350 -0.000 0.000 0.304 162 T C 0.621 175.371 174.700 0.084 0.000 0.991 162 T CA 0.680 62.801 62.100 0.036 0.000 0.975 162 T CB -0.218 68.629 68.868 -0.034 0.000 1.196 162 T HN 0.760 nan 8.240 nan 0.000 0.490 163 N N 1.362 120.142 118.700 0.133 0.000 2.735 163 N HA -0.215 4.524 4.740 -0.000 0.000 0.248 163 N C 1.151 176.904 175.510 0.405 0.000 1.083 163 N CA 1.272 54.490 53.050 0.280 0.000 0.703 163 N CB -1.627 37.182 38.487 0.536 0.000 1.005 163 N HN 1.214 nan 8.380 nan 0.000 0.550 164 G N -0.603 108.314 108.800 0.195 0.000 2.194 164 G HA2 -0.364 3.596 3.960 -0.000 0.000 0.236 164 G HA3 -0.364 3.596 3.960 -0.000 0.000 0.236 164 G C 0.973 175.980 174.900 0.178 0.000 0.987 164 G CA 0.536 45.781 45.100 0.241 0.000 0.635 164 G HN 0.497 nan 8.290 nan 0.000 0.520 165 R N 0.088 120.515 120.500 -0.122 0.000 2.148 165 R HA 0.026 4.365 4.340 -0.000 0.000 0.227 165 R C 2.523 178.717 176.300 -0.178 0.000 1.103 165 R CA 1.769 57.602 56.100 -0.444 0.000 0.983 165 R CB -0.314 29.612 30.300 -0.624 0.000 0.874 165 R HN 0.453 nan 8.270 nan 0.000 0.451 166 T N 0.175 114.698 114.554 -0.051 0.000 2.894 166 T HA -0.053 4.297 4.350 -0.000 0.000 0.258 166 T C 1.933 176.688 174.700 0.092 0.000 1.043 166 T CA 1.329 63.436 62.100 0.012 0.000 1.141 166 T CB 0.065 68.955 68.868 0.037 0.000 0.873 166 T HN 0.212 nan 8.240 nan 0.000 0.449 167 V N -1.155 118.848 119.914 0.150 0.000 3.052 167 V HA 0.360 4.480 4.120 -0.000 0.000 0.254 167 V C 0.853 177.088 176.094 0.235 0.000 1.100 167 V CA 0.458 62.918 62.300 0.266 0.000 1.112 167 V CB -0.364 31.710 31.823 0.418 0.000 0.738 167 V HN 0.263 nan 8.190 nan 0.000 0.469 168 L N 2.412 123.702 121.223 0.112 0.000 2.594 168 L HA 0.571 4.911 4.340 -0.000 0.000 0.245 168 L C -1.661 175.192 176.870 -0.028 0.000 1.460 168 L CA -1.620 53.184 54.840 -0.060 0.000 0.865 168 L CB 1.347 43.250 42.059 -0.260 0.000 1.131 168 L HN -0.003 nan 8.230 nan 0.000 0.506 169 P HA -0.031 nan 4.420 nan 0.000 0.220 169 P C -0.056 176.883 177.300 -0.601 0.000 1.152 169 P CA 0.970 63.839 63.100 -0.387 0.000 0.812 169 P CB 0.133 31.508 31.700 -0.542 0.000 0.792 170 F N 1.033 120.872 119.950 -0.185 0.000 2.443 170 F HA 0.369 4.895 4.527 -0.000 0.000 0.369 170 F C -1.471 174.228 175.800 -0.168 0.000 1.090 170 F CA -2.583 55.301 58.000 -0.194 0.000 1.129 170 F CB 1.152 39.957 39.000 -0.324 0.000 1.367 170 F HN -0.161 nan 8.300 nan 0.000 0.465 171 P HA -0.187 nan 4.420 nan 0.000 0.219 171 P C 0.993 178.189 177.300 -0.174 0.000 1.146 171 P CA 1.632 64.527 63.100 -0.342 0.000 0.808 171 P CB 0.088 31.337 31.700 -0.753 0.000 0.779 172 H N -1.194 117.842 119.070 -0.056 0.000 2.521 172 H HA 0.020 4.576 4.556 -0.000 0.000 0.286 172 H C 0.431 175.774 175.328 0.024 0.000 1.034 172 H CA 1.097 57.153 56.048 0.014 0.000 1.278 172 H CB -0.263 29.502 29.762 0.005 0.000 1.386 172 H HN 0.116 nan 8.280 nan 0.000 0.567 173 D N 0.056 120.530 120.400 0.123 0.000 2.408 173 D HA 0.042 4.682 4.640 -0.000 0.000 0.261 173 D C 1.176 177.511 176.300 0.058 0.000 1.190 173 D CA -0.390 53.672 54.000 0.103 0.000 0.910 173 D CB 0.236 41.125 40.800 0.149 0.000 1.097 173 D HN 0.252 nan 8.370 nan 0.000 0.522 174 M N 0.345 119.876 119.600 -0.115 0.000 2.279 174 M HA 0.026 4.506 4.480 -0.000 0.000 0.264 174 M C 0.110 176.373 176.300 -0.063 0.000 1.062 174 M CA 1.325 56.468 55.300 -0.262 0.000 1.099 174 M CB -0.261 32.115 32.600 -0.373 0.000 1.394 174 M HN 0.049 nan 8.290 nan 0.000 0.426 175 F N -0.836 119.241 119.950 0.212 0.000 2.693 175 F HA 0.202 4.729 4.527 -0.000 0.000 0.303 175 F C 1.800 177.726 175.800 0.209 0.000 1.097 175 F CA -0.838 57.290 58.000 0.212 0.000 1.330 175 F CB -1.154 37.936 39.000 0.151 0.000 1.067 175 F HN 0.117 nan 8.300 nan 0.000 0.565 176 Y N 0.587 121.039 120.300 0.252 0.000 2.114 176 Y HA -0.165 4.385 4.550 -0.000 0.000 0.282 176 Y C 0.793 176.820 175.900 0.213 0.000 1.165 176 Y CA 1.204 59.433 58.100 0.215 0.000 1.148 176 Y CB -0.014 38.597 38.460 0.251 0.000 0.972 176 Y HN -0.244 nan 8.280 nan 0.000 0.504 177 V N 3.602 123.745 119.914 0.382 0.000 2.347 177 V HA 0.148 4.268 4.120 -0.000 0.000 0.280 177 V C -1.375 174.900 176.094 0.302 0.000 1.021 177 V CA -1.300 61.167 62.300 0.277 0.000 0.847 177 V CB 1.243 33.247 31.823 0.302 0.000 0.990 177 V HN 0.153 nan 8.190 nan 0.000 0.444 178 P HA -0.141 nan 4.420 nan 0.000 0.220 178 P C 1.065 178.491 177.300 0.209 0.000 1.148 178 P CA 1.001 64.224 63.100 0.205 0.000 0.803 178 P CB 0.603 32.359 31.700 0.093 0.000 0.782 179 E N -1.204 119.110 120.200 0.190 0.000 2.331 179 E HA -0.156 4.194 4.350 -0.000 0.000 0.199 179 E C 1.575 178.294 176.600 0.198 0.000 1.008 179 E CA 0.627 57.118 56.400 0.153 0.000 0.843 179 E CB -0.942 28.863 29.700 0.174 0.000 0.761 179 E HN 0.275 nan 8.360 nan 0.000 0.507 180 F N 0.890 120.966 119.950 0.209 0.000 2.259 180 F HA -0.045 4.482 4.527 -0.000 0.000 0.298 180 F C 2.171 178.094 175.800 0.204 0.000 1.088 180 F CA 1.116 59.280 58.000 0.273 0.000 1.358 180 F CB 0.060 39.203 39.000 0.239 0.000 1.040 180 F HN -0.166 nan 8.300 nan 0.000 0.505 181 R N 1.345 121.915 120.500 0.116 0.000 2.094 181 R HA -0.257 4.082 4.340 -0.000 0.000 0.239 181 R C 2.546 178.747 176.300 -0.165 0.000 1.137 181 R CA 2.240 58.367 56.100 0.046 0.000 0.943 181 R CB -0.571 29.859 30.300 0.216 0.000 0.850 181 R HN 0.371 nan 8.270 nan 0.000 0.433 182 K N -0.171 120.092 120.400 -0.228 0.000 2.173 182 K HA -0.227 4.093 4.320 -0.000 0.000 0.207 182 K C 1.618 178.003 176.600 -0.359 0.000 1.046 182 K CA 1.881 57.984 56.287 -0.307 0.000 0.929 182 K CB -0.398 31.878 32.500 -0.373 0.000 0.720 182 K HN 0.312 nan 8.250 nan 0.000 0.453 183 Y N 1.487 121.661 120.300 -0.210 0.000 2.263 183 Y HA -0.071 4.478 4.550 -0.000 0.000 0.292 183 Y C 2.175 177.927 175.900 -0.246 0.000 1.130 183 Y CA 1.235 59.221 58.100 -0.190 0.000 1.179 183 Y CB -0.746 37.547 38.460 -0.279 0.000 0.998 183 Y HN 0.299 nan 8.280 nan 0.000 0.532 184 D N 0.479 120.671 120.400 -0.347 0.000 2.182 184 D HA -0.176 4.463 4.640 -0.000 0.000 0.201 184 D C 1.357 177.655 176.300 -0.004 0.000 0.986 184 D CA 1.393 55.306 54.000 -0.146 0.000 0.847 184 D CB -0.009 40.725 40.800 -0.108 0.000 0.942 184 D HN 0.449 nan 8.370 nan 0.000 0.467 185 E N -0.924 119.268 120.200 -0.014 0.000 2.481 185 E HA 0.048 4.398 4.350 -0.000 0.000 0.195 185 E C 0.324 176.954 176.600 0.051 0.000 1.047 185 E CA -0.035 56.377 56.400 0.020 0.000 0.867 185 E CB 0.195 29.893 29.700 -0.003 0.000 0.858 185 E HN 0.419 nan 8.360 nan 0.000 0.513 186 M N 1.188 120.852 119.600 0.106 0.000 2.274 186 M HA 0.114 4.594 4.480 -0.000 0.000 0.344 186 M C 0.408 176.830 176.300 0.203 0.000 1.161 186 M CA -0.330 55.062 55.300 0.153 0.000 1.126 186 M CB 1.368 34.115 32.600 0.244 0.000 1.522 186 M HN -0.076 nan 8.290 nan 0.000 0.461 187 S N 1.222 117.016 115.700 0.155 0.000 2.672 187 S HA 0.291 4.761 4.470 -0.000 0.000 0.276 187 S C 0.795 175.574 174.600 0.299 0.000 1.207 187 S CA -0.768 57.541 58.200 0.181 0.000 1.002 187 S CB 0.686 63.944 63.200 0.096 0.000 0.998 187 S HN 0.613 nan 8.310 nan 0.000 0.542 188 Y N 1.882 122.293 120.300 0.186 0.000 2.102 188 Y HA -0.205 4.345 4.550 -0.000 0.000 0.280 188 Y C 3.207 179.161 175.900 0.090 0.000 1.178 188 Y CA 1.520 59.739 58.100 0.198 0.000 1.146 188 Y CB -1.568 36.961 38.460 0.114 0.000 0.968 188 Y HN 0.917 nan 8.280 nan 0.000 0.504 189 S N -0.677 115.154 115.700 0.218 0.000 2.402 189 S HA -0.193 4.277 4.470 -0.000 0.000 0.229 189 S C 1.928 176.555 174.600 0.046 0.000 1.021 189 S CA 1.168 59.431 58.200 0.106 0.000 0.974 189 S CB -0.532 62.716 63.200 0.081 0.000 0.800 189 S HN 0.575 nan 8.310 nan 0.000 0.484 190 E N 1.100 121.321 120.200 0.035 0.000 2.118 190 E HA -0.206 4.144 4.350 -0.000 0.000 0.195 190 E C 2.296 178.838 176.600 -0.097 0.000 0.992 190 E CA 1.076 57.466 56.400 -0.017 0.000 0.804 190 E CB -0.042 29.657 29.700 -0.002 0.000 0.741 190 E HN 0.427 nan 8.360 nan 0.000 0.458 191 R N 0.635 121.019 120.500 -0.193 0.000 2.062 191 R HA 0.022 4.362 4.340 -0.000 0.000 0.226 191 R C 2.108 178.292 176.300 -0.194 0.000 1.125 191 R CA 1.198 57.044 56.100 -0.424 0.000 0.966 191 R CB -0.660 28.939 30.300 -1.168 0.000 0.861 191 R HN 0.228 nan 8.270 nan 0.000 0.433 192 I N 1.103 121.659 120.570 -0.023 0.000 2.163 192 I HA -0.301 3.869 4.170 -0.000 0.000 0.243 192 I C 1.383 177.486 176.117 -0.024 0.000 1.085 192 I CA 1.798 63.104 61.300 0.010 0.000 1.347 192 I CB -0.345 37.665 38.000 0.016 0.000 1.044 192 I HN 0.183 nan 8.210 nan 0.000 0.408 193 D N 0.333 120.717 120.400 -0.025 0.000 2.221 193 D HA -0.205 4.434 4.640 -0.000 0.000 0.204 193 D C 2.160 178.438 176.300 -0.038 0.000 0.982 193 D CA 1.055 55.041 54.000 -0.024 0.000 0.857 193 D CB -0.231 40.559 40.800 -0.016 0.000 0.934 193 D HN 0.469 nan 8.370 nan 0.000 0.475 194 Q N -0.524 119.237 119.800 -0.064 0.000 2.369 194 Q HA 0.011 4.351 4.340 -0.000 0.000 0.206 194 Q C 1.820 177.785 176.000 -0.057 0.000 0.963 194 Q CA 0.636 56.399 55.803 -0.067 0.000 0.894 194 Q CB 0.265 28.944 28.738 -0.098 0.000 0.965 194 Q HN 0.510 nan 8.270 nan 0.000 0.475 195 I N -5.203 115.335 120.570 -0.053 0.000 4.442 195 I HA 0.208 4.377 4.170 -0.000 0.000 0.331 195 I C 1.672 177.773 176.117 -0.027 0.000 1.364 195 I CA -0.462 60.813 61.300 -0.041 0.000 1.207 195 I CB 0.169 38.141 38.000 -0.048 0.000 1.298 195 I HN -0.156 nan 8.210 nan 0.000 0.463 196 R N 2.097 122.583 120.500 -0.023 0.000 2.189 196 R HA -0.249 4.091 4.340 -0.000 0.000 0.252 196 R C 1.137 177.429 176.300 -0.014 0.000 1.134 196 R CA 2.845 58.935 56.100 -0.017 0.000 0.954 196 R CB -0.322 29.971 30.300 -0.013 0.000 0.890 196 R HN 0.481 nan 8.270 nan 0.000 0.443 197 D N -0.763 119.629 120.400 -0.013 0.000 2.363 197 D HA -0.063 4.577 4.640 -0.000 0.000 0.220 197 D C 0.991 177.285 176.300 -0.010 0.000 0.994 197 D CA 0.787 54.781 54.000 -0.010 0.000 0.890 197 D CB 0.148 40.942 40.800 -0.009 0.000 0.906 197 D HN 0.421 nan 8.370 nan 0.000 0.530 198 E N -0.389 119.804 120.200 -0.012 0.000 2.452 198 E HA 0.161 4.511 4.350 -0.000 0.000 0.197 198 E C 0.180 176.773 176.600 -0.011 0.000 1.022 198 E CA 0.020 56.415 56.400 -0.009 0.000 0.890 198 E CB 0.559 30.254 29.700 -0.008 0.000 0.918 198 E HN 0.162 nan 8.360 nan 0.000 0.496 199 L N 1.592 122.805 121.223 -0.016 0.000 2.275 199 L HA 0.291 4.631 4.340 -0.000 0.000 0.288 199 L C 0.472 177.331 176.870 -0.017 0.000 1.046 199 L CA -0.861 53.966 54.840 -0.022 0.000 0.805 199 L CB 1.430 43.470 42.059 -0.033 0.000 1.193 199 L HN 0.016 nan 8.230 nan 0.000 0.426 200 S N 2.223 117.912 115.700 -0.018 0.000 2.596 200 S HA 0.069 4.539 4.470 -0.000 0.000 0.260 200 S C 0.980 175.574 174.600 -0.009 0.000 1.336 200 S CA -0.574 57.618 58.200 -0.013 0.000 0.993 200 S CB 0.862 64.054 63.200 -0.014 0.000 0.923 200 S HN 0.593 nan 8.310 nan 0.000 0.567 201 L N 1.378 122.600 121.223 -0.000 0.000 2.012 201 L HA -0.126 4.214 4.340 -0.000 0.000 0.210 201 L C 1.990 178.869 176.870 0.016 0.000 1.073 201 L CA 2.036 56.884 54.840 0.013 0.000 0.748 201 L CB -1.267 40.802 42.059 0.016 0.000 0.891 201 L HN 0.734 nan 8.230 nan 0.000 0.431 202 N N -0.240 118.464 118.700 0.006 0.000 2.188 202 N HA -0.163 4.577 4.740 -0.000 0.000 0.184 202 N C 1.783 177.287 175.510 -0.011 0.000 1.018 202 N CA 1.483 54.538 53.050 0.010 0.000 0.858 202 N CB -0.209 38.283 38.487 0.007 0.000 0.989 202 N HN 0.538 nan 8.380 nan 0.000 0.426 203 E N 0.541 120.721 120.200 -0.033 0.000 2.047 203 E HA -0.104 4.246 4.350 -0.000 0.000 0.191 203 E C 2.062 178.608 176.600 -0.091 0.000 0.987 203 E CA 0.686 57.045 56.400 -0.068 0.000 0.799 203 E CB 0.022 29.685 29.700 -0.062 0.000 0.752 203 E HN 0.236 nan 8.360 nan 0.000 0.449 204 R N 0.337 120.798 120.500 -0.065 0.000 2.092 204 R HA -0.076 4.264 4.340 -0.000 0.000 0.231 204 R C 2.314 178.559 176.300 -0.092 0.000 1.119 204 R CA 1.389 57.440 56.100 -0.082 0.000 0.970 204 R CB 0.056 30.336 30.300 -0.034 0.000 0.864 204 R HN 0.007 nan 8.270 nan 0.000 0.440 205 S N -0.097 115.593 115.700 -0.017 0.000 2.355 205 S HA -0.088 4.382 4.470 -0.000 0.000 0.222 205 S C 1.936 176.454 174.600 -0.136 0.000 1.031 205 S CA 1.468 59.684 58.200 0.027 0.000 0.993 205 S CB -0.082 63.208 63.200 0.150 0.000 0.859 205 S HN 0.313 nan 8.310 nan 0.000 0.453 206 S N 1.554 117.211 115.700 -0.072 0.000 2.368 206 S HA -0.029 4.441 4.470 -0.000 0.000 0.225 206 S C 1.832 176.338 174.600 -0.156 0.000 1.030 206 S CA 0.919 59.081 58.200 -0.062 0.000 0.999 206 S CB -0.459 62.704 63.200 -0.063 0.000 0.844 206 S HN 0.345 nan 8.310 nan 0.000 0.459 207 L N 2.115 123.191 121.223 -0.245 0.000 2.012 207 L HA -0.096 4.244 4.340 -0.000 0.000 0.210 207 L C 2.029 178.614 176.870 -0.475 0.000 1.073 207 L CA 1.885 56.504 54.840 -0.369 0.000 0.748 207 L CB -0.757 41.053 42.059 -0.415 0.000 0.891 207 L HN 0.271 nan 8.230 nan 0.000 0.431 208 E N -0.550 119.346 120.200 -0.508 0.000 2.106 208 E HA -0.149 4.200 4.350 -0.000 0.000 0.192 208 E C 2.150 178.360 176.600 -0.649 0.000 0.984 208 E CA 0.950 56.993 56.400 -0.594 0.000 0.806 208 E CB -0.273 29.118 29.700 -0.515 0.000 0.750 208 E HN 0.655 nan 8.360 nan 0.000 0.458 209 A N 1.138 123.524 122.820 -0.724 0.000 1.877 209 A HA -0.188 4.131 4.320 -0.000 0.000 0.216 209 A C 1.969 179.461 177.584 -0.154 0.000 1.186 209 A CA 1.076 52.866 52.037 -0.412 0.000 0.620 209 A CB -0.713 18.194 19.000 -0.155 0.000 0.822 209 A HN 0.298 nan 8.150 nan 0.000 0.443 210 F N 1.369 121.174 119.950 -0.241 0.000 2.102 210 F HA -0.152 4.375 4.527 -0.000 0.000 0.298 210 F C 2.110 177.729 175.800 -0.302 0.000 1.105 210 F CA 1.922 59.796 58.000 -0.210 0.000 1.239 210 F CB -0.222 38.702 39.000 -0.127 0.000 0.991 210 F HN 0.348 nan 8.300 nan 0.000 0.474 211 I N -1.519 118.804 120.570 -0.411 0.000 2.394 211 I HA -0.192 3.978 4.170 -0.000 0.000 0.251 211 I C 1.934 177.863 176.117 -0.313 0.000 1.136 211 I CA 1.424 62.305 61.300 -0.699 0.000 1.425 211 I CB -0.823 36.258 38.000 -1.532 0.000 1.079 211 I HN 0.163 nan 8.210 nan 0.000 0.425 212 L N 0.537 121.637 121.223 -0.206 0.000 2.093 212 L HA -0.132 4.207 4.340 -0.000 0.000 0.208 212 L C 2.637 179.441 176.870 -0.110 0.000 1.085 212 L CA 0.917 55.728 54.840 -0.048 0.000 0.755 212 L CB -0.548 41.515 42.059 0.007 0.000 0.904 212 L HN 0.352 nan 8.230 nan 0.000 0.435 213 L N -0.547 120.546 121.223 -0.217 0.000 2.081 213 L HA -0.258 4.082 4.340 -0.000 0.000 0.212 213 L C 2.374 179.116 176.870 -0.213 0.000 1.080 213 L CA 1.882 56.558 54.840 -0.273 0.000 0.754 213 L CB -0.476 41.197 42.059 -0.644 0.000 0.893 213 L HN 0.255 nan 8.230 nan 0.000 0.433 214 C N -1.081 118.016 119.300 -0.338 0.000 2.492 214 C HA 0.002 4.462 4.460 -0.000 0.000 0.279 214 C C 3.074 177.817 174.990 -0.412 0.000 1.335 214 C CA 0.758 59.533 59.018 -0.405 0.000 1.734 214 C CB -0.971 26.482 27.740 -0.477 0.000 2.027 214 C HN 0.800 nan 8.230 nan 0.000 0.496 215 S N 0.226 115.517 115.700 -0.682 0.000 2.446 215 S HA 0.207 4.676 4.470 -0.000 0.000 0.225 215 S C 1.762 176.132 174.600 -0.382 0.000 1.016 215 S CA 1.384 58.843 58.200 -1.234 0.000 0.943 215 S CB -0.596 61.714 63.200 -1.483 0.000 0.786 215 S HN 1.058 nan 8.310 nan 0.000 0.508 216 G N 0.621 109.352 108.800 -0.115 0.000 2.175 216 G HA2 -0.118 3.841 3.960 -0.000 0.000 0.265 216 G HA3 -0.118 3.841 3.960 -0.000 0.000 0.265 216 G C 0.470 175.284 174.900 -0.143 0.000 0.979 216 G CA 0.504 45.525 45.100 -0.132 0.000 0.663 216 G HN 1.145 nan 8.290 nan 0.000 0.533 217 G N -1.347 107.348 108.800 -0.175 0.000 3.212 217 G HA2 0.842 4.801 3.960 -0.000 0.000 0.188 217 G HA3 0.842 4.801 3.960 -0.000 0.000 0.188 217 G C 0.226 175.073 174.900 -0.088 0.000 1.254 217 G CA 0.769 45.784 45.100 -0.142 0.000 0.957 217 G HN 1.262 nan 8.290 nan 0.000 0.596 218 T N -1.583 112.921 114.554 -0.083 0.000 2.944 218 T HA 0.425 4.775 4.350 -0.000 0.000 0.284 218 T C 1.560 176.250 174.700 -0.016 0.000 1.010 218 T CA -0.672 61.415 62.100 -0.022 0.000 1.025 218 T CB 1.343 70.201 68.868 -0.017 0.000 1.079 218 T HN 0.211 nan 8.240 nan 0.000 0.516 219 L N -0.064 121.206 121.223 0.078 0.000 2.081 219 L HA -0.099 4.241 4.340 -0.000 0.000 0.212 219 L C 2.826 179.745 176.870 0.082 0.000 1.080 219 L CA 1.635 56.561 54.840 0.143 0.000 0.754 219 L CB -0.492 41.650 42.059 0.138 0.000 0.893 219 L HN 0.741 nan 8.230 nan 0.000 0.433 220 E N 0.485 120.704 120.200 0.031 0.000 2.170 220 E HA -0.125 4.225 4.350 -0.000 0.000 0.191 220 E C 1.512 178.106 176.600 -0.010 0.000 0.981 220 E CA 0.918 57.329 56.400 0.019 0.000 0.830 220 E CB 0.030 29.738 29.700 0.013 0.000 0.775 220 E HN 0.568 nan 8.360 nan 0.000 0.470 221 N N -1.132 117.540 118.700 -0.047 0.000 2.205 221 N HA 0.062 4.802 4.740 -0.000 0.000 0.201 221 N C -0.632 174.817 175.510 -0.101 0.000 1.128 221 N CA -0.122 52.893 53.050 -0.059 0.000 0.867 221 N CB 0.334 38.789 38.487 -0.054 0.000 0.996 221 N HN -0.206 nan 8.380 nan 0.000 0.503 222 S N 0.114 115.676 115.700 -0.230 0.000 2.499 222 S HA 0.252 4.722 4.470 -0.000 0.000 0.279 222 S C -0.240 174.222 174.600 -0.230 0.000 1.219 222 S CA -0.775 57.180 58.200 -0.409 0.000 1.062 222 S CB 1.280 63.732 63.200 -1.246 0.000 0.978 222 S HN 0.291 nan 8.310 nan 0.000 0.489 223 S N 2.333 118.073 115.700 0.066 0.000 2.510 223 S HA 0.166 4.636 4.470 -0.000 0.000 0.279 223 S C 0.825 175.679 174.600 0.424 0.000 1.284 223 S CA -0.612 57.693 58.200 0.175 0.000 1.059 223 S CB -0.209 63.034 63.200 0.072 0.000 0.901 223 S HN 0.618 nan 8.310 nan 0.000 0.491 224 F N 5.777 125.924 119.950 0.329 0.000 2.084 224 F HA 0.118 4.645 4.527 -0.000 0.000 0.296 224 F C 2.102 178.107 175.800 0.342 0.000 1.111 224 F CA 2.021 60.279 58.000 0.429 0.000 1.224 224 F CB -1.111 38.007 39.000 0.198 0.000 0.991 224 F HN 0.689 nan 8.300 nan 0.000 0.471 225 G N -0.339 108.434 108.800 -0.045 0.000 2.505 225 G HA2 -0.392 3.568 3.960 -0.000 0.000 0.220 225 G HA3 -0.392 3.568 3.960 -0.000 0.000 0.220 225 G C 1.510 176.522 174.900 0.187 0.000 1.145 225 G CA 1.194 46.226 45.100 -0.114 0.000 0.761 225 G HN 0.442 nan 8.290 nan 0.000 0.571 226 E N -0.286 119.999 120.200 0.141 0.000 2.150 226 E HA -0.081 4.269 4.350 -0.000 0.000 0.193 226 E C 1.949 178.644 176.600 0.157 0.000 0.985 226 E CA 0.626 57.042 56.400 0.026 0.000 0.814 226 E CB -0.427 28.987 29.700 -0.477 0.000 0.752 226 E HN 0.415 nan 8.360 nan 0.000 0.466 227 F N 0.425 120.547 119.950 0.287 0.000 2.146 227 F HA -0.078 4.449 4.527 -0.000 0.000 0.298 227 F C 1.731 177.693 175.800 0.270 0.000 1.096 227 F CA 1.221 59.428 58.000 0.344 0.000 1.275 227 F CB -0.169 39.141 39.000 0.516 0.000 1.008 227 F HN 0.020 nan 8.300 nan 0.000 0.480 228 L N -0.354 120.932 121.223 0.105 0.000 2.129 228 L HA -0.308 4.032 4.340 -0.000 0.000 0.212 228 L C 2.695 179.615 176.870 0.082 0.000 1.087 228 L CA 1.686 56.543 54.840 0.028 0.000 0.757 228 L CB -1.023 41.021 42.059 -0.025 0.000 0.896 228 L HN 0.343 nan 8.230 nan 0.000 0.434 229 H N -0.849 118.251 119.070 0.049 0.000 2.326 229 H HA -0.203 4.353 4.556 -0.000 0.000 0.301 229 H C 2.033 177.324 175.328 -0.061 0.000 1.081 229 H CA 2.055 58.076 56.048 -0.045 0.000 1.334 229 H CB -0.015 29.763 29.762 0.028 0.000 1.385 229 H HN 0.294 nan 8.280 nan 0.000 0.504 230 W N 0.813 122.053 121.300 -0.101 0.000 2.358 230 W HA -0.191 4.468 4.660 -0.000 0.000 0.303 230 W C 2.771 179.077 176.519 -0.355 0.000 1.208 230 W CA 0.697 57.932 57.345 -0.183 0.000 1.274 230 W CB -1.344 28.138 29.460 0.038 0.000 1.138 230 W HN 0.378 nan 8.180 nan 0.000 0.515 231 W N 1.002 122.094 121.300 -0.347 0.000 2.333 231 W HA -0.254 4.406 4.660 -0.000 0.000 0.316 231 W C 2.092 178.248 176.519 -0.604 0.000 1.215 231 W CA 2.833 59.941 57.345 -0.394 0.000 1.278 231 W CB -0.907 28.351 29.460 -0.338 0.000 1.154 231 W HN -0.096 nan 8.180 nan 0.000 0.486 232 A N 0.812 123.223 122.820 -0.681 0.000 1.908 232 A HA -0.262 4.058 4.320 -0.000 0.000 0.218 232 A C 1.958 178.825 177.584 -1.194 0.000 1.181 232 A CA 2.291 53.434 52.037 -1.490 0.000 0.627 232 A CB -1.021 17.392 19.000 -0.979 0.000 0.818 232 A HN 0.293 nan 8.150 nan 0.000 0.445 233 M N 0.158 119.145 119.600 -1.021 0.000 2.202 233 M HA -0.078 4.402 4.480 -0.000 0.000 0.262 233 M C 1.978 177.795 176.300 -0.805 0.000 1.063 233 M CA 1.548 56.141 55.300 -1.179 0.000 1.097 233 M CB -1.552 29.811 32.600 -2.063 0.000 1.382 233 M HN 0.369 nan 8.290 nan 0.000 0.413 234 S N -0.673 114.663 115.700 -0.606 0.000 2.562 234 S HA 0.250 4.720 4.470 -0.000 0.000 0.221 234 S C 1.462 175.856 174.600 -0.344 0.000 0.975 234 S CA 0.774 58.813 58.200 -0.269 0.000 0.918 234 S CB 0.138 63.205 63.200 -0.222 0.000 0.772 234 S HN 0.748 nan 8.310 nan 0.000 0.531 235 G N 0.349 108.858 108.800 -0.485 0.000 2.175 235 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.182 235 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.182 235 G C 0.207 174.953 174.900 -0.258 0.000 1.003 235 G CA -0.336 44.587 45.100 -0.295 0.000 0.666 235 G HN 0.409 nan 8.290 nan 0.000 0.506 236 Y N -0.653 119.170 120.300 -0.795 0.000 3.825 236 Y HA -0.252 4.298 4.550 -0.000 0.000 0.221 236 Y C 1.212 176.351 175.900 -1.268 0.000 1.195 236 Y CA 1.953 59.317 58.100 -1.226 0.000 1.699 236 Y CB -2.383 35.821 38.460 -0.427 0.000 1.531 236 Y HN 1.226 nan 8.280 nan 0.000 0.640 237 T N -5.572 108.292 114.554 -1.150 0.000 2.883 237 T HA 0.452 4.802 4.350 -0.000 0.000 0.296 237 T C 0.220 174.583 174.700 -0.561 0.000 1.117 237 T CA -0.411 61.278 62.100 -0.684 0.000 1.006 237 T CB 1.483 70.202 68.868 -0.249 0.000 1.191 237 T HN 0.053 nan 8.240 nan 0.000 0.508 238 Y N 1.140 121.339 120.300 -0.169 0.000 2.200 238 Y HA -0.039 4.511 4.550 -0.000 0.000 0.290 238 Y C 2.620 178.440 175.900 -0.134 0.000 1.137 238 Y CA 2.021 60.098 58.100 -0.038 0.000 1.163 238 Y CB -0.324 38.134 38.460 -0.004 0.000 0.988 238 Y HN 0.722 nan 8.280 nan 0.000 0.518 239 Q N 0.410 120.016 119.800 -0.322 0.000 2.084 239 Q HA -0.047 4.293 4.340 -0.000 0.000 0.202 239 Q C 2.511 178.279 176.000 -0.387 0.000 0.978 239 Q CA 2.022 57.582 55.803 -0.405 0.000 0.844 239 Q CB -1.161 27.449 28.738 -0.213 0.000 0.898 239 Q HN 0.566 nan 8.270 nan 0.000 0.426 240 G N -0.431 108.173 108.800 -0.326 0.000 2.469 240 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.219 240 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.219 240 G C 1.651 176.346 174.900 -0.342 0.000 1.150 240 G CA 1.141 46.041 45.100 -0.334 0.000 0.763 240 G HN 0.497 nan 8.290 nan 0.000 0.561 241 C N 0.416 119.546 119.300 -0.282 0.000 2.432 241 C HA -0.012 4.448 4.460 -0.000 0.000 0.277 241 C C 3.001 177.876 174.990 -0.191 0.000 1.249 241 C CA 1.037 59.989 59.018 -0.109 0.000 1.725 241 C CB -0.643 27.210 27.740 0.188 0.000 2.028 241 C HN 0.382 nan 8.230 nan 0.000 0.477 242 M N 0.725 120.102 119.600 -0.372 0.000 2.117 242 M HA -0.090 4.390 4.480 -0.000 0.000 0.262 242 M C 1.690 177.731 176.300 -0.430 0.000 1.065 242 M CA 1.626 56.685 55.300 -0.401 0.000 1.114 242 M CB -1.651 30.596 32.600 -0.588 0.000 1.361 242 M HN 0.337 nan 8.290 nan 0.000 0.408 243 D N -0.004 120.106 120.400 -0.482 0.000 2.104 243 D HA -0.136 4.504 4.640 -0.000 0.000 0.194 243 D C 2.187 178.106 176.300 -0.635 0.000 0.994 243 D CA 1.343 55.003 54.000 -0.567 0.000 0.830 243 D CB -0.301 40.113 40.800 -0.643 0.000 0.959 243 D HN 0.359 nan 8.370 nan 0.000 0.452 244 C N -0.125 118.786 119.300 -0.648 0.000 2.475 244 C HA 0.108 4.568 4.460 -0.000 0.000 0.279 244 C C 2.725 177.491 174.990 -0.373 0.000 1.322 244 C CA 0.008 58.678 59.018 -0.580 0.000 1.734 244 C CB -0.776 26.666 27.740 -0.497 0.000 2.005 244 C HN 0.329 nan 8.230 nan 0.000 0.495 245 L N -1.018 120.043 121.223 -0.270 0.000 2.307 245 L HA 0.195 4.535 4.340 -0.000 0.000 0.211 245 L C 1.858 178.529 176.870 -0.331 0.000 1.099 245 L CA 1.048 55.797 54.840 -0.152 0.000 0.816 245 L CB -0.140 41.903 42.059 -0.027 0.000 0.952 245 L HN 0.306 nan 8.230 nan 0.000 0.455 246 M N -2.179 117.043 119.600 -0.631 0.000 3.430 246 M HA 0.122 4.602 4.480 -0.000 0.000 0.501 246 M C 0.570 176.141 176.300 -1.214 0.000 1.556 246 M CA 0.056 54.483 55.300 -1.456 0.000 0.751 246 M CB 0.767 32.749 32.600 -1.031 0.000 1.615 246 M HN -0.112 nan 8.290 nan 0.000 0.573 247 S N -0.415 114.826 115.700 -0.765 0.000 2.502 247 S HA 0.248 4.718 4.470 -0.000 0.000 0.228 247 S C -0.585 173.697 174.600 -0.530 0.000 1.061 247 S CA 0.527 58.286 58.200 -0.735 0.000 0.935 247 S CB 0.459 62.939 63.200 -1.200 0.000 0.809 247 S HN 0.414 nan 8.310 nan 0.000 0.510 248 Y N 2.266 122.674 120.300 0.180 0.000 2.406 248 Y HA 0.560 5.110 4.550 -0.000 0.000 0.340 248 Y C -0.160 175.840 175.900 0.167 0.000 0.975 248 Y CA -1.645 56.553 58.100 0.162 0.000 1.056 248 Y CB 1.149 39.623 38.460 0.023 0.000 1.210 248 Y HN -0.007 nan 8.280 nan 0.000 0.448 249 K N 0.977 121.497 120.400 0.200 0.000 2.400 249 K HA 0.680 5.000 4.320 -0.000 0.000 0.246 249 K C -1.574 174.950 176.600 -0.127 0.000 0.995 249 K CA -0.874 55.374 56.287 -0.066 0.000 0.840 249 K CB 1.647 34.086 32.500 -0.102 0.000 1.293 249 K HN 0.321 nan 8.250 nan 0.000 0.445 250 F N 2.560 122.487 119.950 -0.038 0.000 2.472 250 F HA 0.125 4.651 4.527 -0.000 0.000 0.364 250 F C 1.741 177.499 175.800 -0.069 0.000 1.090 250 F CA -0.222 57.745 58.000 -0.055 0.000 1.188 250 F CB 1.178 40.139 39.000 -0.066 0.000 1.105 250 F HN 0.671 nan 8.300 nan 0.000 0.536 251 K N 0.360 120.834 120.400 0.123 0.000 2.211 251 K HA -0.160 4.160 4.320 -0.000 0.000 0.204 251 K C 0.048 176.634 176.600 -0.024 0.000 1.047 251 K CA 1.805 58.106 56.287 0.023 0.000 0.935 251 K CB -0.003 32.507 32.500 0.018 0.000 0.728 251 K HN 0.424 nan 8.250 nan 0.000 0.452 252 D N 0.804 121.214 120.400 0.017 0.000 2.368 252 D HA 0.183 4.823 4.640 -0.000 0.000 0.218 252 D C 0.258 176.529 176.300 -0.047 0.000 1.112 252 D CA 0.737 54.714 54.000 -0.038 0.000 0.834 252 D CB 0.841 41.621 40.800 -0.033 0.000 0.953 252 D HN 0.469 nan 8.370 nan 0.000 0.505 253 G N 1.293 110.091 108.800 -0.004 0.000 2.719 253 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.686 253 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.686 253 G C 0.566 175.492 174.900 0.044 0.000 1.201 253 G CA -0.679 44.418 45.100 -0.004 0.000 0.768 253 G HN -0.079 nan 8.290 nan 0.000 0.629 254 Q N 0.198 120.084 119.800 0.143 0.000 2.217 254 Q HA -0.138 4.202 4.340 -0.000 0.000 0.209 254 Q C 2.895 179.003 176.000 0.180 0.000 0.988 254 Q CA 2.127 58.071 55.803 0.235 0.000 0.878 254 Q CB -0.322 28.629 28.738 0.355 0.000 0.909 254 Q HN 0.648 nan 8.270 nan 0.000 0.424 255 S N 0.560 116.324 115.700 0.106 0.000 2.383 255 S HA -0.079 4.391 4.470 -0.000 0.000 0.227 255 S C 1.977 176.577 174.600 -0.001 0.000 1.026 255 S CA 0.832 59.071 58.200 0.064 0.000 0.981 255 S CB -0.149 63.090 63.200 0.065 0.000 0.818 255 S HN 0.522 nan 8.310 nan 0.000 0.472 256 A N 0.854 123.653 122.820 -0.035 0.000 1.978 256 A HA -0.117 4.203 4.320 -0.000 0.000 0.220 256 A C 1.848 179.385 177.584 -0.078 0.000 1.170 256 A CA 1.379 53.373 52.037 -0.072 0.000 0.636 256 A CB -0.727 18.221 19.000 -0.088 0.000 0.810 256 A HN 0.507 nan 8.150 nan 0.000 0.448 257 F N 0.839 120.598 119.950 -0.319 0.000 2.128 257 F HA 0.057 4.584 4.527 -0.000 0.000 0.295 257 F C 2.516 178.371 175.800 0.092 0.000 1.100 257 F CA 0.852 58.661 58.000 -0.319 0.000 1.260 257 F CB -0.761 37.822 39.000 -0.696 0.000 1.009 257 F HN 0.235 nan 8.300 nan 0.000 0.476 258 A N 0.865 123.764 122.820 0.131 0.000 1.933 258 A HA -0.171 4.149 4.320 -0.000 0.000 0.218 258 A C 2.260 179.876 177.584 0.053 0.000 1.175 258 A CA 1.315 53.396 52.037 0.073 0.000 0.628 258 A CB -0.640 18.257 19.000 -0.172 0.000 0.814 258 A HN 0.305 nan 8.150 nan 0.000 0.444 259 R N -0.356 120.126 120.500 -0.030 0.000 2.200 259 R HA -0.084 4.256 4.340 -0.000 0.000 0.234 259 R C 1.996 178.261 176.300 -0.057 0.000 1.127 259 R CA 0.921 57.010 56.100 -0.019 0.000 0.989 259 R CB -0.554 29.708 30.300 -0.064 0.000 0.869 259 R HN 0.477 nan 8.270 nan 0.000 0.459 260 R N -0.292 120.047 120.500 -0.268 0.000 2.075 260 R HA -0.018 4.322 4.340 -0.000 0.000 0.232 260 R C 2.294 178.218 176.300 -0.627 0.000 1.126 260 R CA 1.041 56.736 56.100 -0.674 0.000 0.963 260 R CB -0.814 28.676 30.300 -1.351 0.000 0.858 260 R HN 0.242 nan 8.270 nan 0.000 0.435 261 F N -0.299 119.436 119.950 -0.357 0.000 2.171 261 F HA -0.188 4.339 4.527 -0.000 0.000 0.300 261 F C 2.501 178.315 175.800 0.023 0.000 1.090 261 F CA 0.942 58.922 58.000 -0.033 0.000 1.293 261 F CB -0.439 38.574 39.000 0.022 0.000 1.013 261 F HN 0.175 nan 8.300 nan 0.000 0.486 262 W N 1.336 122.654 121.300 0.029 0.000 2.379 262 W HA -0.182 4.478 4.660 -0.000 0.000 0.307 262 W C 1.982 178.473 176.519 -0.047 0.000 1.200 262 W CA 1.615 58.941 57.345 -0.032 0.000 1.297 262 W CB -0.253 29.147 29.460 -0.100 0.000 1.140 262 W HN -0.009 nan 8.180 nan 0.000 0.507 263 E N 0.526 120.732 120.200 0.010 0.000 2.106 263 E HA -0.222 4.128 4.350 -0.000 0.000 0.192 263 E C 1.946 178.484 176.600 -0.104 0.000 0.984 263 E CA 1.633 57.990 56.400 -0.073 0.000 0.806 263 E CB -0.529 29.156 29.700 -0.026 0.000 0.750 263 E HN 0.400 nan 8.360 nan 0.000 0.458 264 E N -0.354 119.806 120.200 -0.068 0.000 2.051 264 E HA -0.189 4.161 4.350 -0.000 0.000 0.192 264 E C 1.917 178.485 176.600 -0.053 0.000 0.991 264 E CA 1.040 57.430 56.400 -0.016 0.000 0.799 264 E CB -0.110 29.639 29.700 0.082 0.000 0.748 264 E HN 0.247 nan 8.360 nan 0.000 0.449 265 A N 1.245 124.006 122.820 -0.098 0.000 1.877 265 A HA -0.131 4.189 4.320 -0.000 0.000 0.216 265 A C 2.397 179.841 177.584 -0.234 0.000 1.186 265 A CA 1.925 53.869 52.037 -0.155 0.000 0.620 265 A CB -0.862 18.010 19.000 -0.213 0.000 0.822 265 A HN 0.422 nan 8.150 nan 0.000 0.443 266 A N -0.449 122.142 122.820 -0.381 0.000 1.858 266 A HA 0.102 4.421 4.320 -0.000 0.000 0.216 266 A C 2.404 179.910 177.584 -0.129 0.000 1.190 266 A CA 1.898 53.743 52.037 -0.319 0.000 0.617 266 A CB -1.521 17.245 19.000 -0.389 0.000 0.827 266 A HN 0.904 nan 8.150 nan 0.000 0.443 267 G N -0.747 107.994 108.800 -0.099 0.000 2.586 267 G HA2 -0.102 3.858 3.960 -0.000 0.000 0.215 267 G HA3 -0.102 3.858 3.960 -0.000 0.000 0.215 267 G C 1.439 176.322 174.900 -0.028 0.000 1.128 267 G CA 1.754 46.827 45.100 -0.045 0.000 0.774 267 G HN 0.722 nan 8.290 nan 0.000 0.543 268 T N -2.869 111.665 114.554 -0.032 0.000 3.055 268 T HA 0.282 4.632 4.350 -0.000 0.000 0.265 268 T C 2.137 176.835 174.700 -0.003 0.000 1.111 268 T CA 1.001 63.094 62.100 -0.012 0.000 1.118 268 T CB -0.137 68.729 68.868 -0.002 0.000 0.909 268 T HN 1.225 nan 8.240 nan 0.000 0.501 269 G N 1.980 110.778 108.800 -0.004 0.000 2.168 269 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.263 269 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.263 269 G C 0.811 175.733 174.900 0.037 0.000 0.977 269 G CA 0.343 45.452 45.100 0.015 0.000 0.659 269 G HN 0.613 nan 8.290 nan 0.000 0.533 270 R N -0.958 119.569 120.500 0.045 0.000 2.546 270 R HA 0.436 4.776 4.340 -0.000 0.000 0.320 270 R C 0.322 176.706 176.300 0.140 0.000 1.021 270 R CA -0.322 55.834 56.100 0.092 0.000 1.088 270 R CB 0.564 30.914 30.300 0.083 0.000 1.278 270 R HN 0.352 nan 8.270 nan 0.000 0.557 271 L N 0.611 121.888 121.223 0.090 0.000 2.272 271 L HA 0.558 4.898 4.340 -0.000 0.000 0.289 271 L C -0.067 176.889 176.870 0.143 0.000 1.032 271 L CA -0.331 54.547 54.840 0.064 0.000 0.810 271 L CB 1.351 43.353 42.059 -0.095 0.000 1.205 271 L HN 0.056 nan 8.230 nan 0.000 0.422 272 G N 4.257 113.111 108.800 0.089 0.000 2.389 272 G HA2 0.580 4.540 3.960 -0.000 0.000 0.328 272 G HA3 0.580 4.540 3.960 -0.000 0.000 0.328 272 G C -1.772 173.059 174.900 -0.114 0.000 1.133 272 G CA -0.368 44.700 45.100 -0.053 0.000 0.891 272 G HN 0.789 nan 8.290 nan 0.000 0.485 273 Y N -1.309 118.917 120.300 -0.124 0.000 2.552 273 Y HA 0.667 5.217 4.550 -0.000 0.000 0.337 273 Y C -1.255 174.572 175.900 -0.122 0.000 1.094 273 Y CA -1.667 56.354 58.100 -0.131 0.000 1.028 273 Y CB 1.591 40.165 38.460 0.189 0.000 1.321 273 Y HN 0.431 nan 8.280 nan 0.000 0.456 274 V N 3.991 123.817 119.914 -0.147 0.000 2.447 274 V HA 0.403 4.523 4.120 -0.000 0.000 0.292 274 V C -0.787 175.138 176.094 -0.281 0.000 1.021 274 V CA -0.714 61.511 62.300 -0.125 0.000 0.850 274 V CB 0.637 32.358 31.823 -0.171 0.000 1.005 274 V HN 0.726 nan 8.190 nan 0.000 0.426 275 F N 1.660 121.644 119.950 0.057 0.000 2.370 275 F HA 0.639 5.166 4.527 -0.000 0.000 0.319 275 F C 1.517 177.288 175.800 -0.048 0.000 1.129 275 F CA 0.738 58.715 58.000 -0.037 0.000 1.109 275 F CB 1.056 40.016 39.000 -0.066 0.000 1.262 275 F HN 0.733 nan 8.300 nan 0.000 0.534 276 G N 0.394 109.252 108.800 0.096 0.000 2.305 276 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.287 276 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.287 276 G C -0.330 174.561 174.900 -0.015 0.000 1.036 276 G CA 0.158 45.275 45.100 0.028 0.000 0.887 276 G HN 0.869 nan 8.290 nan 0.000 0.505 277 C N 1.990 121.233 119.300 -0.095 0.000 2.787 277 C HA 0.595 5.055 4.460 -0.000 0.000 0.265 277 C C -1.915 172.991 174.990 -0.141 0.000 1.190 277 C CA -2.245 56.719 59.018 -0.088 0.000 1.616 277 C CB 0.136 27.806 27.740 -0.118 0.000 1.732 277 C HN 0.423 nan 8.230 nan 0.000 0.433 278 P HA 0.199 nan 4.420 nan 0.000 0.276 278 P C -0.127 177.151 177.300 -0.037 0.000 1.235 278 P CA 0.377 63.397 63.100 -0.133 0.000 0.772 278 P CB 0.943 32.648 31.700 0.007 0.000 0.871 279 V N 4.980 124.860 119.914 -0.056 0.000 2.834 279 V HA 0.238 4.358 4.120 -0.000 0.000 0.301 279 V C 1.899 177.990 176.094 -0.005 0.000 1.066 279 V CA 0.073 62.359 62.300 -0.023 0.000 1.052 279 V CB 1.062 32.854 31.823 -0.051 0.000 1.021 279 V HN 0.677 nan 8.190 nan 0.000 0.480 280 R N 1.406 121.895 120.500 -0.019 0.000 2.435 280 R HA 0.289 4.629 4.340 -0.000 0.000 0.221 280 R C 0.267 176.504 176.300 -0.105 0.000 0.885 280 R CA 0.466 56.547 56.100 -0.032 0.000 1.018 280 R CB 0.764 31.064 30.300 0.000 0.000 1.259 280 R HN 0.700 nan 8.270 nan 0.000 0.597 281 S N -0.138 115.487 115.700 -0.125 0.000 2.537 281 S HA 0.583 5.052 4.470 -0.000 0.000 0.270 281 S C -1.058 173.444 174.600 -0.162 0.000 1.142 281 S CA -0.706 57.384 58.200 -0.183 0.000 0.870 281 S CB 2.603 65.749 63.200 -0.090 0.000 1.112 281 S HN -0.047 nan 8.310 nan 0.000 0.466 282 V N 2.366 122.149 119.914 -0.218 0.000 2.482 282 V HA 0.575 4.695 4.120 -0.000 0.000 0.295 282 V C -0.877 175.265 176.094 0.080 0.000 1.026 282 V CA -0.567 61.711 62.300 -0.036 0.000 0.856 282 V CB 1.561 33.416 31.823 0.052 0.000 1.001 282 V HN 0.892 nan 8.190 nan 0.000 0.424 283 V N 3.959 123.924 119.914 0.084 0.000 2.448 283 V HA 0.410 4.530 4.120 -0.000 0.000 0.295 283 V C 0.110 176.263 176.094 0.098 0.000 1.025 283 V CA -0.899 61.463 62.300 0.103 0.000 0.859 283 V CB 1.726 33.589 31.823 0.067 0.000 0.988 283 V HN 0.889 nan 8.190 nan 0.000 0.431 284 N N 3.798 122.561 118.700 0.106 0.000 2.420 284 N HA 0.292 5.031 4.740 -0.000 0.000 0.262 284 N C -0.164 175.374 175.510 0.047 0.000 1.144 284 N CA -0.290 52.800 53.050 0.067 0.000 0.952 284 N CB 1.445 39.956 38.487 0.041 0.000 1.081 284 N HN 0.723 nan 8.380 nan 0.000 0.480 285 E N 1.251 121.476 120.200 0.042 0.000 3.029 285 E HA 0.309 4.658 4.350 -0.000 0.000 0.249 285 E C -0.266 176.349 176.600 0.025 0.000 1.089 285 E CA -0.811 55.609 56.400 0.033 0.000 1.089 285 E CB 0.906 30.627 29.700 0.035 0.000 1.428 285 E HN 0.338 nan 8.360 nan 0.000 0.555 286 R N 1.826 122.340 120.500 0.023 0.000 2.343 286 R HA 0.016 4.355 4.340 -0.000 0.000 0.326 286 R C -0.790 175.524 176.300 0.022 0.000 1.055 286 R CA 0.173 56.285 56.100 0.019 0.000 0.961 286 R CB -0.043 30.268 30.300 0.017 0.000 0.978 286 R HN 0.484 nan 8.270 nan 0.000 0.443 287 D N -0.237 120.175 120.400 0.020 0.000 3.041 287 D HA -0.250 4.390 4.640 -0.000 0.000 0.214 287 D C -0.231 176.087 176.300 0.031 0.000 1.153 287 D CA 1.997 56.011 54.000 0.023 0.000 0.972 287 D CB -0.479 40.335 40.800 0.024 0.000 1.126 287 D HN 0.681 nan 8.370 nan 0.000 0.400 288 A N -0.933 121.908 122.820 0.035 0.000 2.504 288 A HA 0.941 5.261 4.320 -0.000 0.000 0.285 288 A C -1.148 176.465 177.584 0.048 0.000 1.261 288 A CA 0.174 52.240 52.037 0.047 0.000 0.741 288 A CB 1.966 20.998 19.000 0.054 0.000 1.327 288 A HN 0.696 nan 8.150 nan 0.000 0.441 289 A N -0.235 122.622 122.820 0.061 0.000 2.574 289 A HA 0.747 5.066 4.320 -0.000 0.000 0.297 289 A C -0.762 176.869 177.584 0.079 0.000 1.062 289 A CA -0.477 51.599 52.037 0.065 0.000 0.686 289 A CB 1.204 20.240 19.000 0.060 0.000 1.285 289 A HN 1.007 nan 8.150 nan 0.000 0.403 290 R N 1.590 122.136 120.500 0.076 0.000 2.387 290 R HA 0.671 5.011 4.340 -0.000 0.000 0.314 290 R C -1.789 174.560 176.300 0.082 0.000 0.958 290 R CA -0.319 55.830 56.100 0.081 0.000 0.846 290 R CB 1.490 31.825 30.300 0.058 0.000 1.147 290 R HN 0.502 nan 8.270 nan 0.000 0.447 291 V N 3.858 123.844 119.914 0.120 0.000 2.417 291 V HA 0.387 4.506 4.120 -0.000 0.000 0.291 291 V C -0.432 175.764 176.094 0.170 0.000 1.024 291 V CA -0.557 61.817 62.300 0.123 0.000 0.861 291 V CB 1.962 33.857 31.823 0.119 0.000 0.985 291 V HN 0.840 nan 8.190 nan 0.000 0.436 292 T N 4.281 118.890 114.554 0.091 0.000 2.786 292 T HA 0.680 5.030 4.350 -0.000 0.000 0.283 292 T C 0.379 175.126 174.700 0.078 0.000 0.992 292 T CA -0.174 61.968 62.100 0.071 0.000 0.954 292 T CB 1.643 70.520 68.868 0.014 0.000 0.934 292 T HN 0.913 nan 8.240 nan 0.000 0.440 293 A N 3.072 125.967 122.820 0.125 0.000 2.364 293 A HA 0.297 4.617 4.320 -0.000 0.000 0.258 293 A C 1.645 179.260 177.584 0.052 0.000 1.131 293 A CA -0.029 52.069 52.037 0.101 0.000 0.800 293 A CB 0.229 19.320 19.000 0.151 0.000 1.086 293 A HN 0.932 nan 8.150 nan 0.000 0.508 294 R N -0.568 119.963 120.500 0.052 0.000 2.062 294 R HA -0.123 4.217 4.340 -0.000 0.000 0.229 294 R C 1.605 177.927 176.300 0.037 0.000 1.128 294 R CA 1.698 57.826 56.100 0.047 0.000 0.960 294 R CB -0.395 29.945 30.300 0.066 0.000 0.855 294 R HN 0.950 nan 8.270 nan 0.000 0.432 295 D N -1.419 119.005 120.400 0.039 0.000 2.263 295 D HA -0.079 4.561 4.640 -0.000 0.000 0.208 295 D C 1.197 177.503 176.300 0.011 0.000 0.971 295 D CA 1.565 55.581 54.000 0.027 0.000 0.867 295 D CB -0.021 40.798 40.800 0.031 0.000 0.929 295 D HN 0.398 nan 8.370 nan 0.000 0.492 296 G N -0.732 108.072 108.800 0.007 0.000 2.336 296 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.194 296 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.194 296 G C 0.232 175.098 174.900 -0.057 0.000 0.999 296 G CA -0.235 44.855 45.100 -0.017 0.000 0.669 296 G HN 0.385 nan 8.290 nan 0.000 0.482 297 R N 1.311 121.766 120.500 -0.075 0.000 2.566 297 R HA 0.338 4.678 4.340 -0.000 0.000 0.273 297 R C -0.122 175.963 176.300 -0.357 0.000 0.981 297 R CA 0.779 56.739 56.100 -0.233 0.000 1.091 297 R CB 0.261 30.431 30.300 -0.217 0.000 0.924 297 R HN 0.460 nan 8.270 nan 0.000 0.411 298 E N 2.216 122.091 120.200 -0.541 0.000 2.212 298 E HA 0.364 4.714 4.350 -0.000 0.000 0.268 298 E C -1.188 175.016 176.600 -0.659 0.000 0.902 298 E CA -0.544 55.615 56.400 -0.401 0.000 0.779 298 E CB 1.426 31.020 29.700 -0.176 0.000 1.172 298 E HN 0.260 nan 8.360 nan 0.000 0.409 299 F N 0.787 120.753 119.950 0.027 0.000 2.565 299 F HA 0.486 5.013 4.527 -0.000 0.000 0.313 299 F C -0.456 175.389 175.800 0.074 0.000 1.091 299 F CA -0.990 57.045 58.000 0.058 0.000 0.915 299 F CB 1.556 40.547 39.000 -0.015 0.000 1.208 299 F HN 0.096 nan 8.300 nan 0.000 0.453 300 V N 1.884 121.988 119.914 0.316 0.000 2.735 300 V HA 0.964 5.084 4.120 -0.000 0.000 0.310 300 V C -0.581 175.677 176.094 0.274 0.000 1.061 300 V CA -0.732 61.701 62.300 0.223 0.000 0.913 300 V CB 1.588 33.501 31.823 0.149 0.000 1.005 300 V HN 1.027 nan 8.190 nan 0.000 0.428 301 A N 3.284 126.218 122.820 0.190 0.000 2.608 301 A HA 0.607 4.927 4.320 -0.000 0.000 0.292 301 A C 0.241 177.894 177.584 0.116 0.000 1.066 301 A CA -0.651 51.500 52.037 0.189 0.000 0.676 301 A CB 1.499 20.609 19.000 0.183 0.000 1.277 301 A HN 0.700 nan 8.150 nan 0.000 0.413 302 K N 0.002 120.463 120.400 0.102 0.000 2.103 302 K HA 0.053 4.373 4.320 -0.000 0.000 0.204 302 K C 0.298 176.920 176.600 0.037 0.000 1.052 302 K CA 0.757 57.084 56.287 0.067 0.000 0.945 302 K CB 0.002 32.543 32.500 0.068 0.000 0.722 302 K HN 0.490 nan 8.250 nan 0.000 0.443 303 R N 0.565 121.076 120.500 0.019 0.000 2.888 303 R HA 0.484 4.824 4.340 -0.000 0.000 0.266 303 R C -0.944 175.346 176.300 -0.018 0.000 1.020 303 R CA -0.843 55.250 56.100 -0.011 0.000 0.963 303 R CB 2.095 32.367 30.300 -0.046 0.000 1.197 303 R HN -0.187 nan 8.270 nan 0.000 0.481 304 V N 1.603 121.494 119.914 -0.038 0.000 2.483 304 V HA 0.308 4.428 4.120 -0.000 0.000 0.297 304 V C -0.351 175.685 176.094 -0.096 0.000 1.027 304 V CA -0.875 61.390 62.300 -0.058 0.000 0.855 304 V CB 2.213 34.013 31.823 -0.037 0.000 0.995 304 V HN 0.401 nan 8.190 nan 0.000 0.424 305 V N 4.247 124.107 119.914 -0.090 0.000 2.348 305 V HA 0.253 4.372 4.120 -0.000 0.000 0.270 305 V C 0.177 176.225 176.094 -0.077 0.000 1.037 305 V CA -0.346 61.905 62.300 -0.082 0.000 0.872 305 V CB 1.232 33.022 31.823 -0.056 0.000 1.002 305 V HN 1.003 nan 8.190 nan 0.000 0.464 306 C N 5.537 124.777 119.300 -0.100 0.000 2.251 306 C HA 0.550 5.010 4.460 -0.000 0.000 0.323 306 C C 1.429 176.499 174.990 0.133 0.000 1.241 306 C CA 0.078 59.084 59.018 -0.019 0.000 1.601 306 C CB 0.044 27.717 27.740 -0.111 0.000 2.251 306 C HN 0.998 nan 8.230 nan 0.000 0.488 307 T N 3.385 118.002 114.554 0.106 0.000 3.243 307 T HA 0.334 4.684 4.350 -0.000 0.000 0.264 307 T C 0.271 175.047 174.700 0.126 0.000 1.000 307 T CA -0.209 61.951 62.100 0.101 0.000 0.901 307 T CB -0.543 68.330 68.868 0.007 0.000 1.083 307 T HN 0.643 nan 8.240 nan 0.000 0.559 308 I N 2.829 123.537 120.570 0.230 0.000 2.588 308 I HA 0.246 4.416 4.170 -0.000 0.000 0.283 308 I C -2.057 174.239 176.117 0.298 0.000 1.119 308 I CA -2.456 58.991 61.300 0.244 0.000 1.419 308 I CB 0.678 38.851 38.000 0.288 0.000 1.394 308 I HN 0.041 nan 8.210 nan 0.000 0.562 309 P HA -0.071 nan 4.420 nan 0.000 0.267 309 P C 0.553 178.081 177.300 0.380 0.000 1.200 309 P CA -0.234 63.016 63.100 0.251 0.000 0.772 309 P CB 0.568 32.423 31.700 0.258 0.000 0.855 310 L N 3.704 125.219 121.223 0.487 0.000 1.997 310 L HA -0.278 4.062 4.340 -0.000 0.000 0.216 310 L C 1.501 178.574 176.870 0.338 0.000 1.074 310 L CA 2.215 57.361 54.840 0.511 0.000 0.763 310 L CB -1.279 41.136 42.059 0.593 0.000 0.890 310 L HN 0.300 nan 8.230 nan 0.000 0.434 311 N N -1.157 117.735 118.700 0.319 0.000 2.519 311 N HA -0.086 4.654 4.740 -0.000 0.000 0.186 311 N C 1.406 177.013 175.510 0.162 0.000 1.062 311 N CA 1.172 54.322 53.050 0.168 0.000 0.910 311 N CB -0.047 38.464 38.487 0.040 0.000 0.958 311 N HN 0.360 nan 8.380 nan 0.000 0.445 312 V N -0.197 119.850 119.914 0.222 0.000 3.565 312 V HA 0.134 4.253 4.120 -0.000 0.000 0.260 312 V C 1.983 178.212 176.094 0.226 0.000 1.231 312 V CA 0.172 62.603 62.300 0.218 0.000 1.100 312 V CB 0.043 32.026 31.823 0.265 0.000 0.807 312 V HN 0.214 nan 8.190 nan 0.000 0.454 313 L N 1.225 122.599 121.223 0.251 0.000 2.191 313 L HA -0.147 4.192 4.340 -0.000 0.000 0.212 313 L C 2.554 179.579 176.870 0.258 0.000 1.103 313 L CA 1.873 56.889 54.840 0.293 0.000 0.769 313 L CB -0.356 41.855 42.059 0.253 0.000 0.908 313 L HN 0.588 nan 8.230 nan 0.000 0.438 314 S N -2.062 113.742 115.700 0.173 0.000 2.555 314 S HA -0.107 4.362 4.470 -0.000 0.000 0.230 314 S C 1.769 176.442 174.600 0.121 0.000 0.978 314 S CA 0.902 59.184 58.200 0.135 0.000 0.934 314 S CB -0.624 62.630 63.200 0.089 0.000 0.766 314 S HN 0.568 nan 8.310 nan 0.000 0.533 315 T N -0.406 114.226 114.554 0.129 0.000 3.088 315 T HA 0.329 4.679 4.350 -0.000 0.000 0.259 315 T C 0.671 175.409 174.700 0.064 0.000 1.122 315 T CA -0.154 62.004 62.100 0.097 0.000 1.095 315 T CB -0.405 68.530 68.868 0.112 0.000 0.930 315 T HN 0.315 nan 8.240 nan 0.000 0.508 316 I N 1.669 122.280 120.570 0.069 0.000 2.437 316 I HA 0.413 4.583 4.170 -0.000 0.000 0.298 316 I C -0.106 175.940 176.117 -0.118 0.000 0.984 316 I CA -0.765 60.476 61.300 -0.098 0.000 1.214 316 I CB 1.580 39.461 38.000 -0.198 0.000 1.365 316 I HN 0.253 nan 8.210 nan 0.000 0.469 317 Q N 4.843 124.475 119.800 -0.280 0.000 2.340 317 Q HA 0.490 4.830 4.340 -0.000 0.000 0.259 317 Q C -1.886 173.938 176.000 -0.293 0.000 0.964 317 Q CA -0.350 55.356 55.803 -0.161 0.000 0.900 317 Q CB 1.033 29.718 28.738 -0.088 0.000 1.228 317 Q HN 0.421 nan 8.270 nan 0.000 0.449 318 F N 1.077 121.084 119.950 0.095 0.000 2.532 318 F HA 0.494 5.021 4.527 -0.000 0.000 0.321 318 F C -0.007 175.873 175.800 0.133 0.000 1.089 318 F CA -0.648 57.430 58.000 0.131 0.000 0.926 318 F CB 2.560 41.649 39.000 0.150 0.000 1.168 318 F HN 0.342 nan 8.300 nan 0.000 0.459 319 S N 4.479 120.383 115.700 0.340 0.000 2.736 319 S HA 0.559 5.029 4.470 -0.000 0.000 0.285 319 S C -2.840 171.890 174.600 0.217 0.000 1.163 319 S CA -1.436 56.903 58.200 0.232 0.000 1.025 319 S CB 1.233 64.514 63.200 0.135 0.000 1.030 319 S HN 0.269 nan 8.310 nan 0.000 0.486 320 P HA 0.413 nan 4.420 nan 0.000 0.276 320 P C -0.633 176.841 177.300 0.290 0.000 1.261 320 P CA -0.517 62.687 63.100 0.173 0.000 0.800 320 P CB 0.473 32.223 31.700 0.084 0.000 1.066 321 A N 0.974 123.921 122.820 0.211 0.000 2.425 321 A HA 0.306 4.626 4.320 -0.000 0.000 0.242 321 A C 0.623 178.315 177.584 0.181 0.000 1.077 321 A CA -0.368 51.785 52.037 0.193 0.000 0.781 321 A CB -0.747 18.324 19.000 0.118 0.000 1.020 321 A HN 0.497 nan 8.150 nan 0.000 0.494 322 L N 1.280 122.525 121.223 0.036 0.000 2.476 322 L HA 0.239 4.579 4.340 -0.000 0.000 0.264 322 L C 1.331 178.157 176.870 -0.072 0.000 1.224 322 L CA -0.230 54.517 54.840 -0.155 0.000 0.821 322 L CB 0.333 42.170 42.059 -0.370 0.000 1.101 322 L HN 0.923 nan 8.230 nan 0.000 0.488 323 S N -0.837 114.795 115.700 -0.114 0.000 2.624 323 S HA 0.118 4.588 4.470 -0.000 0.000 0.263 323 S C 1.028 175.582 174.600 -0.077 0.000 1.287 323 S CA -0.375 57.785 58.200 -0.066 0.000 0.990 323 S CB 1.154 64.313 63.200 -0.069 0.000 0.950 323 S HN 0.628 nan 8.310 nan 0.000 0.561 324 T N 1.578 116.104 114.554 -0.047 0.000 2.684 324 T HA -0.125 4.225 4.350 -0.000 0.000 0.267 324 T C 1.503 176.170 174.700 -0.055 0.000 1.036 324 T CA 2.173 64.249 62.100 -0.039 0.000 1.148 324 T CB -0.607 68.248 68.868 -0.023 0.000 0.863 324 T HN 0.758 nan 8.240 nan 0.000 0.436 325 E N 0.519 120.678 120.200 -0.068 0.000 2.152 325 E HA 0.055 4.405 4.350 -0.000 0.000 0.192 325 E C 2.407 178.939 176.600 -0.114 0.000 0.983 325 E CA 0.541 56.898 56.400 -0.071 0.000 0.818 325 E CB -0.116 29.547 29.700 -0.062 0.000 0.758 325 E HN 0.301 nan 8.360 nan 0.000 0.467 326 R N 0.274 120.664 120.500 -0.183 0.000 2.073 326 R HA -0.065 4.275 4.340 -0.000 0.000 0.234 326 R C 2.313 178.503 176.300 -0.184 0.000 1.134 326 R CA 1.307 57.243 56.100 -0.273 0.000 0.952 326 R CB -0.420 29.614 30.300 -0.444 0.000 0.850 326 R HN 0.217 nan 8.270 nan 0.000 0.433 327 I N 0.592 121.082 120.570 -0.133 0.000 2.163 327 I HA -0.318 3.852 4.170 -0.000 0.000 0.243 327 I C 2.263 178.356 176.117 -0.040 0.000 1.085 327 I CA 1.490 62.747 61.300 -0.071 0.000 1.347 327 I CB -0.318 37.657 38.000 -0.043 0.000 1.044 327 I HN 0.147 nan 8.210 nan 0.000 0.408 328 S N 1.135 116.813 115.700 -0.035 0.000 2.370 328 S HA -0.209 4.261 4.470 -0.000 0.000 0.226 328 S C 2.278 176.880 174.600 0.003 0.000 1.033 328 S CA 1.290 59.483 58.200 -0.011 0.000 1.011 328 S CB -0.614 62.581 63.200 -0.008 0.000 0.852 328 S HN 0.554 nan 8.310 nan 0.000 0.457 329 A N 2.815 125.631 122.820 -0.007 0.000 1.902 329 A HA -0.098 4.222 4.320 -0.000 0.000 0.217 329 A C 2.300 179.919 177.584 0.057 0.000 1.181 329 A CA 1.867 53.924 52.037 0.034 0.000 0.623 329 A CB -0.795 18.207 19.000 0.003 0.000 0.818 329 A HN 0.687 nan 8.150 nan 0.000 0.443 330 M N -1.838 117.774 119.600 0.019 0.000 2.419 330 M HA 0.012 4.492 4.480 -0.000 0.000 0.264 330 M C 1.817 178.144 176.300 0.044 0.000 1.082 330 M CA 1.362 56.691 55.300 0.048 0.000 1.119 330 M CB -0.443 32.175 32.600 0.030 0.000 1.398 330 M HN 0.367 nan 8.290 nan 0.000 0.453 331 Q N 1.552 121.368 119.800 0.026 0.000 2.033 331 Q HA 0.048 4.388 4.340 -0.000 0.000 0.196 331 Q C 2.570 178.580 176.000 0.018 0.000 0.970 331 Q CA 1.528 57.343 55.803 0.021 0.000 0.828 331 Q CB -0.255 28.491 28.738 0.013 0.000 0.895 331 Q HN 0.683 nan 8.270 nan 0.000 0.440 332 A N 0.932 123.765 122.820 0.022 0.000 1.883 332 A HA 0.072 4.392 4.320 -0.000 0.000 0.217 332 A C 1.208 178.800 177.584 0.013 0.000 1.186 332 A CA 1.343 53.391 52.037 0.018 0.000 0.624 332 A CB -1.251 17.766 19.000 0.029 0.000 0.822 332 A HN 0.487 nan 8.150 nan 0.000 0.444 333 G N -1.071 107.753 108.800 0.041 0.000 2.757 333 G HA2 -0.141 3.819 3.960 -0.000 0.000 0.686 333 G HA3 -0.141 3.819 3.960 -0.000 0.000 0.686 333 G C -0.086 174.829 174.900 0.025 0.000 1.452 333 G CA -0.014 45.103 45.100 0.028 0.000 0.922 333 G HN 1.549 nan 8.290 nan 0.000 0.588 334 H N -0.311 118.774 119.070 0.025 0.000 2.603 334 H HA 0.448 5.004 4.556 -0.000 0.000 0.370 334 H C 1.599 176.856 175.328 -0.119 0.000 1.225 334 H CA 0.129 56.102 56.048 -0.125 0.000 1.410 334 H CB 1.287 30.899 29.762 -0.251 0.000 1.495 334 H HN 1.259 nan 8.280 nan 0.000 0.602 335 V N -0.584 119.346 119.914 0.027 0.000 3.650 335 V HA 0.102 4.222 4.120 -0.000 0.000 0.271 335 V C 0.960 177.012 176.094 -0.070 0.000 1.281 335 V CA 0.306 62.573 62.300 -0.055 0.000 1.120 335 V CB -0.060 31.728 31.823 -0.059 0.000 0.856 335 V HN 0.619 nan 8.190 nan 0.000 0.443 336 S N 2.241 117.975 115.700 0.056 0.000 2.414 336 S HA 0.393 4.863 4.470 -0.000 0.000 0.290 336 S C 0.363 174.826 174.600 -0.228 0.000 1.160 336 S CA -0.324 57.727 58.200 -0.247 0.000 1.069 336 S CB 0.042 62.815 63.200 -0.713 0.000 1.012 336 S HN 0.442 nan 8.310 nan 0.000 0.510 337 M N 4.719 124.202 119.600 -0.194 0.000 2.972 337 M HA 0.201 4.681 4.480 -0.000 0.000 0.323 337 M C 0.223 176.558 176.300 0.057 0.000 1.213 337 M CA -0.502 54.741 55.300 -0.095 0.000 0.935 337 M CB -0.785 31.680 32.600 -0.226 0.000 1.289 337 M HN 0.678 nan 8.290 nan 0.000 0.525 338 C N 1.981 121.241 119.300 -0.067 0.000 2.634 338 C HA 0.312 4.772 4.460 -0.000 0.000 0.418 338 C C 0.823 175.989 174.990 0.293 0.000 1.373 338 C CA 0.676 59.759 59.018 0.108 0.000 1.756 338 C CB -0.176 27.572 27.740 0.014 0.000 2.589 338 C HN 0.617 nan 8.230 nan 0.000 0.602 339 T N 6.448 121.169 114.554 0.278 0.000 2.795 339 T HA 0.353 4.703 4.350 -0.000 0.000 0.282 339 T C -0.448 174.370 174.700 0.196 0.000 0.980 339 T CA -0.221 61.994 62.100 0.193 0.000 1.012 339 T CB 0.719 69.573 68.868 -0.023 0.000 0.936 339 T HN 0.768 nan 8.240 nan 0.000 0.457 340 K N 3.320 123.829 120.400 0.182 0.000 2.502 340 K HA 0.610 4.930 4.320 -0.000 0.000 0.254 340 K C -1.761 174.820 176.600 -0.031 0.000 0.947 340 K CA -0.565 55.718 56.287 -0.007 0.000 0.834 340 K CB 1.297 33.891 32.500 0.157 0.000 1.112 340 K HN 0.365 nan 8.250 nan 0.000 0.427 341 V N 4.869 124.667 119.914 -0.194 0.000 2.531 341 V HA 0.321 4.441 4.120 -0.000 0.000 0.301 341 V C -0.650 175.378 176.094 -0.110 0.000 1.034 341 V CA -0.875 61.389 62.300 -0.059 0.000 0.865 341 V CB 1.675 33.421 31.823 -0.128 0.000 0.995 341 V HN 0.771 nan 8.190 nan 0.000 0.424 342 H N 3.194 122.401 119.070 0.228 0.000 2.473 342 H HA 0.726 5.281 4.556 -0.000 0.000 0.327 342 H C -0.051 175.439 175.328 0.269 0.000 1.105 342 H CA -0.264 55.977 56.048 0.322 0.000 1.280 342 H CB 2.134 32.198 29.762 0.504 0.000 1.450 342 H HN 0.738 nan 8.280 nan 0.000 0.492 343 A N 3.192 126.228 122.820 0.360 0.000 2.332 343 A HA 0.203 4.522 4.320 -0.000 0.000 0.300 343 A C -0.049 177.671 177.584 0.227 0.000 1.153 343 A CA -0.745 51.429 52.037 0.228 0.000 0.764 343 A CB 0.847 19.897 19.000 0.084 0.000 1.174 343 A HN 0.799 nan 8.150 nan 0.000 0.467 344 E N 2.505 122.837 120.200 0.221 0.000 2.105 344 E HA 0.434 4.784 4.350 -0.000 0.000 0.285 344 E C -0.170 176.476 176.600 0.076 0.000 1.055 344 E CA -0.364 56.122 56.400 0.143 0.000 0.843 344 E CB 0.667 30.451 29.700 0.139 0.000 1.067 344 E HN 0.674 nan 8.360 nan 0.000 0.398 345 V N 1.682 121.589 119.914 -0.011 0.000 3.096 345 V HA 0.427 4.547 4.120 -0.000 0.000 0.319 345 V C 0.183 176.281 176.094 0.008 0.000 1.103 345 V CA -0.502 61.781 62.300 -0.029 0.000 1.016 345 V CB 1.835 33.460 31.823 -0.331 0.000 1.090 345 V HN 0.732 nan 8.190 nan 0.000 0.449 346 D N -0.131 120.312 120.400 0.071 0.000 2.340 346 D HA 0.094 4.734 4.640 -0.000 0.000 0.217 346 D C 0.248 176.582 176.300 0.056 0.000 1.081 346 D CA 0.043 54.082 54.000 0.065 0.000 0.842 346 D CB -0.374 40.477 40.800 0.085 0.000 0.934 346 D HN 0.503 nan 8.370 nan 0.000 0.511 347 N N 1.469 120.194 118.700 0.042 0.000 2.589 347 N HA 0.094 4.834 4.740 -0.000 0.000 0.232 347 N C 0.595 176.109 175.510 0.006 0.000 1.015 347 N CA -0.219 52.852 53.050 0.036 0.000 0.931 347 N CB 0.889 39.414 38.487 0.063 0.000 1.150 347 N HN -0.000 nan 8.380 nan 0.000 0.512 348 K N 1.217 121.629 120.400 0.020 0.000 2.211 348 K HA -0.110 4.210 4.320 -0.000 0.000 0.204 348 K C 0.155 176.776 176.600 0.036 0.000 1.047 348 K CA 1.037 57.339 56.287 0.024 0.000 0.935 348 K CB 0.361 32.878 32.500 0.029 0.000 0.728 348 K HN 0.482 nan 8.250 nan 0.000 0.452 349 D N 0.435 120.856 120.400 0.036 0.000 2.323 349 D HA -0.015 4.625 4.640 -0.000 0.000 0.209 349 D C 1.301 177.641 176.300 0.068 0.000 0.973 349 D CA 0.755 54.784 54.000 0.049 0.000 0.874 349 D CB 0.121 40.943 40.800 0.037 0.000 0.930 349 D HN 0.208 nan 8.370 nan 0.000 0.521 350 M N 0.160 119.786 119.600 0.044 0.000 2.633 350 M HA 0.046 4.526 4.480 -0.000 0.000 0.226 350 M C 1.673 178.072 176.300 0.165 0.000 1.137 350 M CA -0.026 55.320 55.300 0.076 0.000 1.020 350 M CB 0.319 32.838 32.600 -0.135 0.000 1.675 350 M HN -0.215 nan 8.290 nan 0.000 0.500 351 R N 1.538 122.125 120.500 0.144 0.000 2.105 351 R HA -0.107 4.233 4.340 -0.000 0.000 0.239 351 R C 1.600 178.067 176.300 0.277 0.000 1.135 351 R CA 2.085 58.286 56.100 0.168 0.000 0.967 351 R CB -0.477 29.902 30.300 0.131 0.000 0.861 351 R HN 0.363 nan 8.270 nan 0.000 0.442 352 S N -1.710 114.193 115.700 0.339 0.000 2.618 352 S HA 0.135 4.605 4.470 -0.000 0.000 0.242 352 S C -0.248 174.709 174.600 0.596 0.000 0.972 352 S CA -0.884 57.624 58.200 0.513 0.000 1.004 352 S CB -0.509 62.955 63.200 0.441 0.000 0.778 352 S HN 0.414 nan 8.310 nan 0.000 0.459 353 W N 2.897 124.383 121.300 0.309 0.000 2.512 353 W HA 0.622 5.282 4.660 -0.000 0.000 0.335 353 W C -0.535 176.225 176.519 0.403 0.000 1.088 353 W CA -0.325 57.201 57.345 0.301 0.000 1.236 353 W CB 1.540 31.102 29.460 0.170 0.000 1.307 353 W HN 0.179 nan 8.180 nan 0.000 0.567 354 T N 2.479 116.803 114.554 -0.384 0.000 2.903 354 T HA 0.826 5.175 4.350 -0.000 0.000 0.299 354 T C -0.595 173.314 174.700 -1.318 0.000 1.093 354 T CA -0.721 60.992 62.100 -0.645 0.000 1.002 354 T CB 1.485 70.424 68.868 0.118 0.000 1.127 354 T HN 0.933 nan 8.240 nan 0.000 0.488 355 G N 0.855 108.929 108.800 -1.209 0.000 2.667 355 G HA2 0.681 4.641 3.960 -0.000 0.000 0.298 355 G HA3 0.681 4.641 3.960 -0.000 0.000 0.298 355 G C -1.579 173.180 174.900 -0.236 0.000 1.377 355 G CA -0.893 43.786 45.100 -0.701 0.000 0.964 355 G HN 0.906 nan 8.290 nan 0.000 0.493 356 I N 1.068 121.559 120.570 -0.132 0.000 2.436 356 I HA 0.593 4.763 4.170 -0.000 0.000 0.289 356 I C 0.077 176.208 176.117 0.023 0.000 1.010 356 I CA -0.909 60.411 61.300 0.033 0.000 1.098 356 I CB 2.306 40.427 38.000 0.202 0.000 1.266 356 I HN 0.597 nan 8.210 nan 0.000 0.434 357 A N 6.792 129.643 122.820 0.051 0.000 2.409 357 A HA 0.662 4.981 4.320 -0.000 0.000 0.300 357 A C -1.543 175.928 177.584 -0.189 0.000 1.273 357 A CA -0.343 51.644 52.037 -0.084 0.000 0.774 357 A CB 0.430 19.329 19.000 -0.168 0.000 1.144 357 A HN 0.645 nan 8.150 nan 0.000 0.472 358 Y N 4.415 124.586 120.300 -0.215 0.000 2.482 358 Y HA 0.614 5.164 4.550 -0.000 0.000 0.334 358 Y C -2.578 173.345 175.900 0.038 0.000 1.091 358 Y CA -1.536 56.488 58.100 -0.127 0.000 1.027 358 Y CB 3.024 41.472 38.460 -0.020 0.000 1.306 358 Y HN 0.421 nan 8.280 nan 0.000 0.446 359 P HA 0.127 nan 4.420 nan 0.000 0.276 359 P C 0.184 177.235 177.300 -0.416 0.000 1.585 359 P CA 0.039 62.518 63.100 -1.035 0.000 1.162 359 P CB -0.452 30.506 31.700 -1.236 0.000 1.556 360 F N -1.655 118.181 119.950 -0.190 0.000 2.754 360 F HA 0.369 4.896 4.527 -0.000 0.000 0.297 360 F C 0.330 176.096 175.800 -0.056 0.000 1.122 360 F CA -0.663 57.273 58.000 -0.107 0.000 1.400 360 F CB -0.843 38.111 39.000 -0.078 0.000 1.117 360 F HN -0.228 nan 8.300 nan 0.000 0.587 361 N N 0.898 119.177 118.700 -0.702 0.000 2.466 361 N HA 0.264 5.004 4.740 -0.000 0.000 0.294 361 N C 0.327 175.728 175.510 -0.181 0.000 1.129 361 N CA -0.560 52.254 53.050 -0.393 0.000 0.931 361 N CB 1.495 39.637 38.487 -0.575 0.000 1.193 361 N HN 0.048 nan 8.380 nan 0.000 0.500 362 K N 0.668 121.014 120.400 -0.090 0.000 2.400 362 K HA 0.240 4.560 4.320 -0.000 0.000 0.194 362 K C -0.276 176.303 176.600 -0.035 0.000 1.033 362 K CA 0.532 56.782 56.287 -0.062 0.000 1.021 362 K CB 0.187 32.640 32.500 -0.079 0.000 0.808 362 K HN 0.366 nan 8.250 nan 0.000 0.505 363 L N 0.936 122.149 121.223 -0.017 0.000 2.305 363 L HA 0.204 4.544 4.340 -0.000 0.000 0.284 363 L C 0.905 177.825 176.870 0.082 0.000 1.013 363 L CA -0.883 53.993 54.840 0.060 0.000 0.819 363 L CB 1.404 43.501 42.059 0.064 0.000 1.227 363 L HN 0.180 nan 8.230 nan 0.000 0.417 364 C N 1.131 120.534 119.300 0.171 0.000 2.700 364 C HA 0.245 4.705 4.460 -0.000 0.000 0.297 364 C C 0.359 175.525 174.990 0.293 0.000 1.293 364 C CA -0.410 58.722 59.018 0.191 0.000 1.756 364 C CB -0.571 27.326 27.740 0.262 0.000 2.210 364 C HN 0.661 nan 8.230 nan 0.000 0.553 365 Y N 1.333 121.775 120.300 0.237 0.000 2.477 365 Y HA 0.711 5.261 4.550 -0.000 0.000 0.347 365 Y C -0.389 175.739 175.900 0.380 0.000 0.981 365 Y CA -0.100 58.166 58.100 0.276 0.000 1.033 365 Y CB 1.615 40.216 38.460 0.234 0.000 1.245 365 Y HN 0.489 nan 8.280 nan 0.000 0.455 366 A N 5.567 128.537 122.820 0.250 0.000 2.594 366 A HA 0.773 5.093 4.320 -0.000 0.000 0.296 366 A C -1.925 175.820 177.584 0.267 0.000 1.061 366 A CA -0.458 51.828 52.037 0.415 0.000 0.689 366 A CB 1.029 20.359 19.000 0.550 0.000 1.280 366 A HN 0.960 nan 8.150 nan 0.000 0.406 367 I N -1.070 119.746 120.570 0.411 0.000 2.802 367 I HA 0.834 5.004 4.170 -0.000 0.000 0.298 367 I C 0.286 176.614 176.117 0.351 0.000 1.176 367 I CA -0.929 60.573 61.300 0.338 0.000 1.025 367 I CB 2.270 40.384 38.000 0.190 0.000 1.243 367 I HN 0.861 nan 8.210 nan 0.000 0.424 368 G N 1.818 110.862 108.800 0.407 0.000 2.334 368 G HA2 0.245 4.204 3.960 -0.000 0.000 0.261 368 G HA3 0.245 4.204 3.960 -0.000 0.000 0.261 368 G C -0.265 174.668 174.900 0.054 0.000 1.257 368 G CA 0.158 45.387 45.100 0.216 0.000 0.935 368 G HN 0.938 nan 8.290 nan 0.000 0.480 369 D N 0.682 121.061 120.400 -0.035 0.000 2.500 369 D HA 0.356 4.996 4.640 -0.000 0.000 0.218 369 D C 1.038 177.432 176.300 0.158 0.000 1.140 369 D CA 0.893 54.885 54.000 -0.014 0.000 0.830 369 D CB 0.572 41.321 40.800 -0.084 0.000 1.055 369 D HN 0.793 nan 8.370 nan 0.000 0.512 370 G N -1.452 107.453 108.800 0.175 0.000 2.317 370 G HA2 0.360 4.320 3.960 -0.000 0.000 0.293 370 G HA3 0.360 4.320 3.960 -0.000 0.000 0.293 370 G C -1.357 173.610 174.900 0.112 0.000 1.287 370 G CA -0.591 44.649 45.100 0.233 0.000 0.850 370 G HN -0.085 nan 8.290 nan 0.000 0.515 371 T N 1.150 115.746 114.554 0.069 0.000 2.937 371 T HA 0.607 4.957 4.350 -0.000 0.000 0.297 371 T C 0.484 175.111 174.700 -0.122 0.000 0.991 371 T CA 0.170 62.247 62.100 -0.038 0.000 0.990 371 T CB 1.151 70.034 68.868 0.025 0.000 0.991 371 T HN 1.192 nan 8.240 nan 0.000 0.440 372 T N 1.657 116.025 114.554 -0.309 0.000 2.855 372 T HA 0.164 4.514 4.350 -0.000 0.000 0.314 372 T C -1.616 173.064 174.700 -0.033 0.000 1.077 372 T CA -1.045 60.900 62.100 -0.258 0.000 1.095 372 T CB 0.227 68.931 68.868 -0.274 0.000 0.987 372 T HN 0.151 nan 8.240 nan 0.000 0.546 373 P HA 0.035 nan 4.420 nan 0.000 0.219 373 P C 1.483 178.794 177.300 0.018 0.000 1.146 373 P CA 1.134 64.256 63.100 0.038 0.000 0.808 373 P CB -0.295 31.435 31.700 0.050 0.000 0.779 374 A N -0.931 121.893 122.820 0.007 0.000 2.172 374 A HA 0.243 4.563 4.320 -0.000 0.000 0.216 374 A C 1.831 179.416 177.584 0.002 0.000 1.154 374 A CA 1.443 53.482 52.037 0.005 0.000 0.701 374 A CB -1.273 17.729 19.000 0.004 0.000 0.789 374 A HN 0.286 nan 8.150 nan 0.000 0.465 375 G N -1.640 107.157 108.800 -0.005 0.000 2.184 375 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.206 375 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.206 375 G C -0.121 174.775 174.900 -0.006 0.000 0.995 375 G CA 0.002 45.102 45.100 0.001 0.000 0.651 375 G HN 0.485 nan 8.290 nan 0.000 0.511 376 N N 0.884 119.570 118.700 -0.024 0.000 2.508 376 N HA 0.457 5.197 4.740 -0.000 0.000 0.285 376 N C -0.030 175.453 175.510 -0.045 0.000 1.144 376 N CA 0.034 53.069 53.050 -0.024 0.000 0.978 376 N CB 0.922 39.399 38.487 -0.016 0.000 1.180 376 N HN 0.079 nan 8.380 nan 0.000 0.484 377 T N 0.869 115.403 114.554 -0.033 0.000 2.853 377 T HA -0.026 4.324 4.350 -0.000 0.000 0.298 377 T C 0.204 174.900 174.700 -0.008 0.000 0.978 377 T CA 0.188 62.271 62.100 -0.028 0.000 1.152 377 T CB -0.175 68.665 68.868 -0.045 0.000 0.914 377 T HN 0.338 nan 8.240 nan 0.000 0.539 378 H N 4.588 123.592 119.070 -0.110 0.000 2.519 378 H HA 0.467 5.023 4.556 -0.000 0.000 0.316 378 H C -0.954 174.395 175.328 0.035 0.000 1.065 378 H CA -0.914 55.088 56.048 -0.077 0.000 1.264 378 H CB 0.492 30.119 29.762 -0.225 0.000 1.413 378 H HN 0.424 nan 8.280 nan 0.000 0.465 379 L N 5.716 126.880 121.223 -0.099 0.000 2.325 379 L HA 0.379 4.719 4.340 -0.000 0.000 0.278 379 L C -0.370 176.419 176.870 -0.134 0.000 1.023 379 L CA -1.058 53.705 54.840 -0.127 0.000 0.811 379 L CB 2.053 44.026 42.059 -0.144 0.000 1.249 379 L HN 0.362 nan 8.230 nan 0.000 0.431 380 V N 2.621 122.479 119.914 -0.092 0.000 2.448 380 V HA 0.529 4.649 4.120 -0.000 0.000 0.295 380 V C -0.701 175.357 176.094 -0.059 0.000 1.025 380 V CA -0.281 61.939 62.300 -0.132 0.000 0.859 380 V CB 1.456 33.251 31.823 -0.046 0.000 0.988 380 V HN 0.932 nan 8.190 nan 0.000 0.431 381 C N 6.529 125.681 119.300 -0.247 0.000 2.507 381 C HA 0.739 5.199 4.460 -0.000 0.000 0.319 381 C C -0.588 174.215 174.990 -0.312 0.000 1.208 381 C CA -1.049 57.924 59.018 -0.075 0.000 1.619 381 C CB 0.820 28.582 27.740 0.038 0.000 2.230 381 C HN 0.758 nan 8.230 nan 0.000 0.492 382 F N 0.849 120.939 119.950 0.233 0.000 2.546 382 F HA 0.758 5.285 4.527 -0.000 0.000 0.320 382 F C 0.728 176.633 175.800 0.175 0.000 1.076 382 F CA -0.163 57.967 58.000 0.218 0.000 0.928 382 F CB 1.939 41.091 39.000 0.254 0.000 1.189 382 F HN 0.830 nan 8.300 nan 0.000 0.465 383 G N -0.072 108.917 108.800 0.315 0.000 2.658 383 G HA2 0.696 4.656 3.960 -0.000 0.000 0.292 383 G HA3 0.696 4.656 3.960 -0.000 0.000 0.292 383 G C -1.169 173.868 174.900 0.228 0.000 1.320 383 G CA -0.673 44.551 45.100 0.206 0.000 0.933 383 G HN 0.736 nan 8.290 nan 0.000 0.476 384 T N -3.018 111.652 114.554 0.193 0.000 2.716 384 T HA 0.425 4.774 4.350 -0.000 0.000 0.286 384 T C -0.030 174.794 174.700 0.205 0.000 1.052 384 T CA -0.299 61.907 62.100 0.176 0.000 1.024 384 T CB 1.881 70.820 68.868 0.118 0.000 1.349 384 T HN 0.199 nan 8.240 nan 0.000 0.525 385 D N -0.350 120.103 120.400 0.089 0.000 2.363 385 D HA 0.236 4.876 4.640 -0.000 0.000 0.220 385 D C 2.000 178.323 176.300 0.039 0.000 0.994 385 D CA 0.872 54.881 54.000 0.015 0.000 0.890 385 D CB -0.349 40.384 40.800 -0.112 0.000 0.906 385 D HN 0.657 nan 8.370 nan 0.000 0.530 386 A N 0.106 122.966 122.820 0.067 0.000 1.930 386 A HA -0.080 4.240 4.320 -0.000 0.000 0.217 386 A C 1.228 178.840 177.584 0.046 0.000 1.175 386 A CA 0.886 52.961 52.037 0.064 0.000 0.627 386 A CB 0.070 19.142 19.000 0.120 0.000 0.815 386 A HN 0.161 nan 8.150 nan 0.000 0.443 387 N N -0.746 117.994 118.700 0.066 0.000 2.751 387 N HA 0.163 4.903 4.740 -0.000 0.000 0.238 387 N C -1.595 173.956 175.510 0.069 0.000 1.351 387 N CA -0.402 52.671 53.050 0.039 0.000 0.751 387 N CB 0.195 38.670 38.487 -0.021 0.000 1.342 387 N HN 0.369 nan 8.380 nan 0.000 0.540 388 H N 2.178 121.239 119.070 -0.016 0.000 2.580 388 H HA 0.519 5.075 4.556 -0.000 0.000 0.322 388 H C -0.340 174.969 175.328 -0.031 0.000 1.082 388 H CA 0.052 56.090 56.048 -0.016 0.000 1.383 388 H CB 0.839 30.590 29.762 -0.017 0.000 1.450 388 H HN 0.456 nan 8.280 nan 0.000 0.505 389 I N 3.903 124.147 120.570 -0.543 0.000 2.509 389 I HA 0.201 4.371 4.170 -0.000 0.000 0.293 389 I C -0.890 174.844 176.117 -0.637 0.000 1.020 389 I CA -1.048 59.982 61.300 -0.451 0.000 1.088 389 I CB 1.581 39.407 38.000 -0.289 0.000 1.267 389 I HN 0.570 nan 8.210 nan 0.000 0.430 390 Q N 8.625 128.210 119.800 -0.358 0.000 2.503 390 Q HA 0.353 4.693 4.340 -0.000 0.000 0.227 390 Q C -1.908 173.921 176.000 -0.284 0.000 1.109 390 Q CA -2.191 53.467 55.803 -0.242 0.000 0.922 390 Q CB 0.911 29.595 28.738 -0.089 0.000 1.249 390 Q HN 0.318 nan 8.270 nan 0.000 0.530 391 P HA -0.131 nan 4.420 nan 0.000 0.231 391 P C -0.156 176.774 177.300 -0.616 0.000 1.158 391 P CA 1.005 63.705 63.100 -0.666 0.000 0.763 391 P CB 0.435 31.465 31.700 -1.117 0.000 0.805 392 D N -0.729 119.464 120.400 -0.345 0.000 2.389 392 D HA -0.027 4.612 4.640 -0.000 0.000 0.206 392 D C 1.383 177.571 176.300 -0.187 0.000 1.055 392 D CA 0.183 54.009 54.000 -0.289 0.000 0.856 392 D CB -0.292 40.198 40.800 -0.517 0.000 0.957 392 D HN 0.196 nan 8.370 nan 0.000 0.509 393 E N 0.189 120.296 120.200 -0.155 0.000 2.299 393 E HA -0.030 4.320 4.350 -0.000 0.000 0.193 393 E C -0.213 176.341 176.600 -0.077 0.000 0.998 393 E CA 0.611 56.957 56.400 -0.090 0.000 0.851 393 E CB 0.328 29.984 29.700 -0.074 0.000 0.795 393 E HN 0.086 nan 8.360 nan 0.000 0.492 394 D N -0.611 119.726 120.400 -0.105 0.000 2.333 394 D HA 0.032 4.672 4.640 -0.000 0.000 0.225 394 D C 0.568 176.782 176.300 -0.142 0.000 1.345 394 D CA -0.204 53.740 54.000 -0.094 0.000 0.971 394 D CB 1.138 41.888 40.800 -0.083 0.000 1.451 394 D HN -0.251 nan 8.370 nan 0.000 0.561 395 V N 4.454 124.276 119.914 -0.153 0.000 2.324 395 V HA -0.270 3.849 4.120 -0.000 0.000 0.250 395 V C 2.481 178.381 176.094 -0.323 0.000 1.060 395 V CA 1.938 64.066 62.300 -0.287 0.000 1.042 395 V CB -0.309 31.291 31.823 -0.372 0.000 0.650 395 V HN 0.544 nan 8.190 nan 0.000 0.450 396 R N -0.478 119.894 120.500 -0.213 0.000 2.091 396 R HA -0.168 4.172 4.340 -0.000 0.000 0.238 396 R C 2.316 178.521 176.300 -0.158 0.000 1.136 396 R CA 1.478 57.474 56.100 -0.173 0.000 0.959 396 R CB -0.343 29.898 30.300 -0.097 0.000 0.856 396 R HN 0.472 nan 8.270 nan 0.000 0.437 397 E N -0.057 120.057 120.200 -0.143 0.000 2.110 397 E HA -0.104 4.245 4.350 -0.000 0.000 0.193 397 E C 1.985 178.492 176.600 -0.154 0.000 0.988 397 E CA 1.405 57.730 56.400 -0.126 0.000 0.804 397 E CB -0.240 29.392 29.700 -0.113 0.000 0.745 397 E HN 0.317 nan 8.360 nan 0.000 0.458 398 T N 1.417 115.844 114.554 -0.212 0.000 2.812 398 T HA -0.018 4.332 4.350 -0.000 0.000 0.264 398 T C 2.119 176.701 174.700 -0.197 0.000 1.042 398 T CA 0.561 62.514 62.100 -0.244 0.000 1.140 398 T CB -0.138 68.520 68.868 -0.350 0.000 0.870 398 T HN 0.075 nan 8.240 nan 0.000 0.445 399 L N 0.731 121.817 121.223 -0.228 0.000 2.141 399 L HA -0.039 4.300 4.340 -0.000 0.000 0.209 399 L C 2.737 179.547 176.870 -0.100 0.000 1.094 399 L CA 1.152 55.884 54.840 -0.180 0.000 0.763 399 L CB -0.398 41.501 42.059 -0.268 0.000 0.908 399 L HN 0.186 nan 8.230 nan 0.000 0.437 400 K N 0.476 120.816 120.400 -0.099 0.000 2.002 400 K HA -0.216 4.103 4.320 -0.000 0.000 0.209 400 K C 2.152 178.737 176.600 -0.024 0.000 1.048 400 K CA 1.498 57.750 56.287 -0.059 0.000 0.930 400 K CB -0.118 32.350 32.500 -0.054 0.000 0.714 400 K HN 0.261 nan 8.250 nan 0.000 0.438 401 A N 0.876 123.673 122.820 -0.038 0.000 1.883 401 A HA -0.150 4.170 4.320 -0.000 0.000 0.217 401 A C 2.309 179.911 177.584 0.031 0.000 1.186 401 A CA 1.939 53.966 52.037 -0.017 0.000 0.624 401 A CB -0.818 18.145 19.000 -0.062 0.000 0.822 401 A HN 0.197 nan 8.150 nan 0.000 0.444 402 V N -0.138 119.796 119.914 0.033 0.000 2.261 402 V HA -0.197 3.923 4.120 -0.000 0.000 0.246 402 V C 2.847 179.067 176.094 0.210 0.000 1.047 402 V CA 2.119 64.497 62.300 0.130 0.000 1.015 402 V CB -1.537 30.366 31.823 0.134 0.000 0.642 402 V HN 0.626 nan 8.190 nan 0.000 0.446 403 G N -1.411 107.436 108.800 0.078 0.000 2.462 403 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.220 403 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.220 403 G C 1.441 176.316 174.900 -0.043 0.000 1.121 403 G CA 0.553 45.587 45.100 -0.111 0.000 0.758 403 G HN 0.571 nan 8.290 nan 0.000 0.559 404 Q N -0.565 119.271 119.800 0.060 0.000 2.472 404 Q HA 0.205 4.545 4.340 -0.000 0.000 0.208 404 Q C 2.322 178.446 176.000 0.208 0.000 0.958 404 Q CA 0.006 55.892 55.803 0.138 0.000 0.932 404 Q CB -0.013 28.850 28.738 0.208 0.000 1.007 404 Q HN 0.462 nan 8.270 nan 0.000 0.508 405 L N -0.488 120.873 121.223 0.231 0.000 2.217 405 L HA -0.033 4.307 4.340 -0.000 0.000 0.211 405 L C 0.767 177.902 176.870 0.441 0.000 1.107 405 L CA 0.512 55.565 54.840 0.356 0.000 0.783 405 L CB 0.240 42.580 42.059 0.467 0.000 0.919 405 L HN 0.013 nan 8.230 nan 0.000 0.442 406 A N -0.618 122.374 122.820 0.288 0.000 3.044 406 A HA 0.452 4.772 4.320 -0.000 0.000 0.289 406 A C -2.712 174.875 177.584 0.006 0.000 1.236 406 A CA -0.838 51.342 52.037 0.238 0.000 0.871 406 A CB -0.073 19.062 19.000 0.226 0.000 1.424 406 A HN -0.183 nan 8.150 nan 0.000 0.564 407 P HA 0.394 nan 4.420 nan 0.000 0.271 407 P C 1.174 178.414 177.300 -0.100 0.000 1.216 407 P CA 1.797 64.842 63.100 -0.092 0.000 0.771 407 P CB 1.024 32.709 31.700 -0.024 0.000 0.864 408 G N 2.261 110.955 108.800 -0.175 0.000 2.155 408 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.257 408 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.257 408 G C 0.749 175.587 174.900 -0.105 0.000 0.983 408 G CA 0.808 45.835 45.100 -0.122 0.000 0.676 408 G HN 0.688 nan 8.290 nan 0.000 0.528 409 T N -2.466 111.990 114.554 -0.163 0.000 2.990 409 T HA 0.584 4.934 4.350 -0.000 0.000 0.250 409 T C 0.485 175.215 174.700 0.050 0.000 1.041 409 T CA 0.952 63.038 62.100 -0.024 0.000 1.010 409 T CB 0.115 69.035 68.868 0.086 0.000 1.003 409 T HN 1.553 nan 8.240 nan 0.000 0.499 410 F N -0.924 118.997 119.950 -0.048 0.000 2.678 410 F HA 0.800 5.327 4.527 -0.000 0.000 0.308 410 F C -0.431 175.361 175.800 -0.014 0.000 1.118 410 F CA -1.873 56.102 58.000 -0.042 0.000 0.959 410 F CB 0.828 39.780 39.000 -0.081 0.000 1.305 410 F HN 0.073 nan 8.300 nan 0.000 0.443 411 G N 1.072 110.007 108.800 0.226 0.000 2.389 411 G HA2 0.564 4.524 3.960 -0.000 0.000 0.328 411 G HA3 0.564 4.524 3.960 -0.000 0.000 0.328 411 G C -1.476 173.622 174.900 0.330 0.000 1.133 411 G CA -1.049 44.170 45.100 0.198 0.000 0.891 411 G HN 0.691 nan 8.290 nan 0.000 0.485 412 V N 2.123 122.228 119.914 0.318 0.000 2.432 412 V HA 0.155 4.275 4.120 -0.000 0.000 0.271 412 V C 0.881 177.155 176.094 0.299 0.000 1.046 412 V CA -0.194 62.298 62.300 0.321 0.000 0.945 412 V CB 1.236 33.254 31.823 0.325 0.000 0.992 412 V HN 0.896 nan 8.190 nan 0.000 0.471 413 K N 3.373 123.903 120.400 0.216 0.000 2.211 413 K HA 0.193 4.513 4.320 -0.000 0.000 0.201 413 K C 0.870 177.559 176.600 0.148 0.000 1.052 413 K CA 0.471 56.848 56.287 0.149 0.000 0.973 413 K CB 0.424 32.975 32.500 0.084 0.000 0.766 413 K HN 0.581 nan 8.250 nan 0.000 0.466 414 R N 0.594 121.225 120.500 0.218 0.000 2.604 414 R HA 0.331 4.671 4.340 -0.000 0.000 0.270 414 R C -1.799 174.676 176.300 0.291 0.000 1.052 414 R CA -0.476 55.752 56.100 0.213 0.000 0.902 414 R CB 1.084 31.423 30.300 0.065 0.000 1.233 414 R HN -0.062 nan 8.270 nan 0.000 0.455 415 L N 3.469 124.917 121.223 0.375 0.000 2.334 415 L HA 0.736 5.076 4.340 -0.000 0.000 0.273 415 L C -0.761 176.219 176.870 0.184 0.000 1.013 415 L CA -1.225 53.816 54.840 0.335 0.000 0.816 415 L CB 2.197 44.519 42.059 0.438 0.000 1.278 415 L HN 0.328 nan 8.230 nan 0.000 0.431 416 V N 2.615 122.647 119.914 0.197 0.000 2.760 416 V HA 0.645 4.765 4.120 -0.000 0.000 0.309 416 V C -0.918 175.363 176.094 0.312 0.000 1.077 416 V CA -0.564 61.728 62.300 -0.014 0.000 0.910 416 V CB 1.854 33.413 31.823 -0.441 0.000 1.008 416 V HN 0.683 nan 8.190 nan 0.000 0.424 417 F N 1.621 121.658 119.950 0.145 0.000 2.770 417 F HA 0.764 5.291 4.527 -0.000 0.000 0.313 417 F C -1.283 174.658 175.800 0.236 0.000 1.154 417 F CA -1.014 57.100 58.000 0.189 0.000 0.923 417 F CB 1.539 40.609 39.000 0.117 0.000 1.301 417 F HN 0.585 nan 8.300 nan 0.000 0.449 418 H N 0.965 120.214 119.070 0.298 0.000 2.667 418 H HA 0.410 4.965 4.556 -0.000 0.000 0.353 418 H C -1.406 173.904 175.328 -0.029 0.000 1.072 418 H CA -0.751 55.345 56.048 0.080 0.000 1.214 418 H CB 1.331 30.971 29.762 -0.203 0.000 1.600 418 H HN 0.785 nan 8.280 nan 0.000 0.527 419 N N 4.614 123.093 118.700 -0.369 0.000 2.402 419 N HA -0.034 4.706 4.740 -0.000 0.000 0.252 419 N C -0.025 175.257 175.510 -0.379 0.000 1.118 419 N CA -0.027 52.883 53.050 -0.234 0.000 0.945 419 N CB 0.222 38.678 38.487 -0.051 0.000 1.147 419 N HN 0.740 nan 8.380 nan 0.000 0.495 420 W N 2.809 124.194 121.300 0.142 0.000 2.518 420 W HA -0.010 4.650 4.660 -0.000 0.000 0.273 420 W C 2.003 178.608 176.519 0.144 0.000 1.247 420 W CA -0.071 57.416 57.345 0.236 0.000 1.288 420 W CB 0.133 29.778 29.460 0.309 0.000 1.107 420 W HN 0.353 nan 8.180 nan 0.000 0.586 421 V N 0.611 120.698 119.914 0.288 0.000 2.379 421 V HA -0.209 3.910 4.120 -0.000 0.000 0.245 421 V C 1.693 177.849 176.094 0.103 0.000 1.044 421 V CA 1.659 64.063 62.300 0.173 0.000 1.036 421 V CB -0.529 31.391 31.823 0.161 0.000 0.664 421 V HN 0.092 nan 8.190 nan 0.000 0.453 422 K N -0.028 120.416 120.400 0.073 0.000 2.458 422 K HA 0.042 4.362 4.320 -0.000 0.000 0.194 422 K C 0.339 176.938 176.600 -0.001 0.000 1.024 422 K CA -0.092 56.211 56.287 0.027 0.000 1.108 422 K CB 0.047 32.561 32.500 0.023 0.000 0.846 422 K HN 0.309 nan 8.250 nan 0.000 0.518 423 D N 2.046 122.467 120.400 0.035 0.000 2.339 423 D HA -0.045 4.594 4.640 -0.000 0.000 0.241 423 D C 0.898 177.202 176.300 0.008 0.000 1.183 423 D CA -0.046 53.981 54.000 0.044 0.000 0.859 423 D CB 0.931 41.870 40.800 0.231 0.000 1.067 423 D HN 0.309 nan 8.370 nan 0.000 0.484 424 E N 2.822 122.904 120.200 -0.197 0.000 2.267 424 E HA -0.210 4.140 4.350 -0.000 0.000 0.197 424 E C 0.485 176.938 176.600 -0.245 0.000 0.998 424 E CA 1.064 57.280 56.400 -0.307 0.000 0.830 424 E CB -0.260 29.120 29.700 -0.533 0.000 0.751 424 E HN 0.364 nan 8.360 nan 0.000 0.491 425 F N -0.007 120.032 119.950 0.148 0.000 2.727 425 F HA 0.465 4.992 4.527 -0.000 0.000 0.302 425 F C 1.638 177.571 175.800 0.222 0.000 1.097 425 F CA 0.078 58.172 58.000 0.157 0.000 1.330 425 F CB 0.598 39.669 39.000 0.119 0.000 1.084 425 F HN 0.196 nan 8.300 nan 0.000 0.578 426 A N -0.268 122.782 122.820 0.384 0.000 1.921 426 A HA 0.231 4.551 4.320 -0.000 0.000 0.202 426 A C 1.186 178.944 177.584 0.289 0.000 1.721 426 A CA -0.068 52.207 52.037 0.396 0.000 1.025 426 A CB 0.208 19.564 19.000 0.594 0.000 1.060 426 A HN 0.065 nan 8.150 nan 0.000 0.535 427 K N -0.395 120.145 120.400 0.233 0.000 3.071 427 K HA -0.122 4.198 4.320 -0.000 0.000 0.265 427 K C 0.239 176.880 176.600 0.068 0.000 1.060 427 K CA 0.487 56.847 56.287 0.122 0.000 0.767 427 K CB -2.098 30.447 32.500 0.074 0.000 1.241 427 K HN 1.628 nan 8.250 nan 0.000 0.486 428 G N -1.899 106.999 108.800 0.164 0.000 2.352 428 G HA2 0.477 4.437 3.960 -0.000 0.000 0.302 428 G HA3 0.477 4.437 3.960 -0.000 0.000 0.302 428 G C -1.130 173.916 174.900 0.244 0.000 1.370 428 G CA -0.366 44.803 45.100 0.115 0.000 0.918 428 G HN 0.372 nan 8.290 nan 0.000 0.610 429 A N -0.714 122.167 122.820 0.101 0.000 3.068 429 A HA 0.877 5.197 4.320 -0.000 0.000 0.229 429 A C 0.360 177.886 177.584 -0.097 0.000 1.561 429 A CA 0.117 52.095 52.037 -0.098 0.000 0.876 429 A CB -0.347 18.421 19.000 -0.386 0.000 1.700 429 A HN 2.176 nan 8.150 nan 0.000 0.535 430 W N -1.358 119.945 121.300 0.004 0.000 2.456 430 W HA 0.221 4.881 4.660 -0.000 0.000 0.343 430 W C -0.307 176.124 176.519 -0.147 0.000 1.211 430 W CA -0.593 56.735 57.345 -0.028 0.000 1.353 430 W CB -0.335 29.115 29.460 -0.016 0.000 1.189 430 W HN 0.455 nan 8.180 nan 0.000 0.587 431 F N 4.485 124.335 119.950 -0.167 0.000 2.578 431 F HA 0.297 4.823 4.527 -0.000 0.000 0.376 431 F C -0.749 175.110 175.800 0.099 0.000 1.085 431 F CA -0.250 57.481 58.000 -0.447 0.000 1.260 431 F CB 0.023 38.941 39.000 -0.137 0.000 1.095 431 F HN 0.342 nan 8.300 nan 0.000 0.573 432 F N 4.973 124.408 119.950 -0.858 0.000 2.596 432 F HA 0.409 4.936 4.527 -0.000 0.000 0.311 432 F C -0.638 174.706 175.800 -0.760 0.000 1.116 432 F CA -0.634 57.029 58.000 -0.562 0.000 0.957 432 F CB 1.582 40.490 39.000 -0.153 0.000 1.250 432 F HN 0.545 nan 8.300 nan 0.000 0.444 433 S N 4.428 119.692 115.700 -0.727 0.000 2.646 433 S HA 0.680 5.150 4.470 -0.000 0.000 0.276 433 S C -0.204 174.344 174.600 -0.086 0.000 1.222 433 S CA -1.015 56.956 58.200 -0.382 0.000 1.014 433 S CB 1.477 64.574 63.200 -0.171 0.000 0.991 433 S HN 0.710 nan 8.310 nan 0.000 0.533 434 R N 0.515 120.993 120.500 -0.037 0.000 2.637 434 R HA 0.334 4.674 4.340 -0.000 0.000 0.269 434 R C -2.664 173.648 176.300 0.020 0.000 1.089 434 R CA -1.782 54.318 56.100 -0.001 0.000 1.177 434 R CB -0.601 29.702 30.300 0.005 0.000 1.091 434 R HN 0.395 nan 8.270 nan 0.000 0.540 435 P HA -0.079 nan 4.420 nan 0.000 0.261 435 P C 0.585 177.911 177.300 0.043 0.000 1.183 435 P CA 1.279 64.409 63.100 0.049 0.000 0.761 435 P CB 0.450 32.180 31.700 0.051 0.000 0.785 436 G N 3.296 112.127 108.800 0.050 0.000 2.225 436 G HA2 -0.388 3.572 3.960 -0.000 0.000 0.254 436 G HA3 -0.388 3.572 3.960 -0.000 0.000 0.254 436 G C 0.967 175.913 174.900 0.078 0.000 0.988 436 G CA 0.442 45.578 45.100 0.059 0.000 0.625 436 G HN 0.547 nan 8.290 nan 0.000 0.527 437 M N 0.611 120.257 119.600 0.077 0.000 2.086 437 M HA 0.001 4.481 4.480 -0.000 0.000 0.261 437 M C 2.443 178.825 176.300 0.136 0.000 1.067 437 M CA 2.567 57.928 55.300 0.102 0.000 1.116 437 M CB -0.217 32.448 32.600 0.108 0.000 1.348 437 M HN 0.193 nan 8.290 nan 0.000 0.407 438 V N 0.404 120.406 119.914 0.146 0.000 2.343 438 V HA -0.230 3.890 4.120 -0.000 0.000 0.247 438 V C 2.414 178.583 176.094 0.126 0.000 1.051 438 V CA 2.040 64.423 62.300 0.138 0.000 1.036 438 V CB -0.850 31.040 31.823 0.111 0.000 0.654 438 V HN 0.549 nan 8.190 nan 0.000 0.451 439 S N -0.630 115.168 115.700 0.162 0.000 2.359 439 S HA -0.286 4.184 4.470 -0.000 0.000 0.223 439 S C 2.033 176.812 174.600 0.300 0.000 1.039 439 S CA 2.006 60.398 58.200 0.320 0.000 1.042 439 S CB -0.317 63.072 63.200 0.315 0.000 0.915 439 S HN 0.705 nan 8.310 nan 0.000 0.439 440 E N -0.457 119.847 120.200 0.173 0.000 2.072 440 E HA -0.107 4.243 4.350 -0.000 0.000 0.190 440 E C 1.548 178.203 176.600 0.091 0.000 0.982 440 E CA 1.197 57.665 56.400 0.114 0.000 0.803 440 E CB 0.030 29.775 29.700 0.075 0.000 0.755 440 E HN 0.502 nan 8.360 nan 0.000 0.453 441 C N 0.032 119.384 119.300 0.086 0.000 3.019 441 C HA 0.162 4.621 4.460 -0.000 0.000 0.295 441 C C 2.221 177.219 174.990 0.014 0.000 1.256 441 C CA -0.624 58.417 59.018 0.038 0.000 1.706 441 C CB -0.533 27.232 27.740 0.041 0.000 2.153 441 C HN 0.445 nan 8.230 nan 0.000 0.618 442 L N 2.169 123.421 121.223 0.048 0.000 1.997 442 L HA -0.264 4.076 4.340 -0.000 0.000 0.216 442 L C 2.666 179.526 176.870 -0.017 0.000 1.074 442 L CA 2.502 57.352 54.840 0.018 0.000 0.763 442 L CB -0.970 41.103 42.059 0.025 0.000 0.890 442 L HN 0.509 nan 8.230 nan 0.000 0.434 443 Q N -1.142 118.671 119.800 0.023 0.000 2.050 443 Q HA -0.152 4.187 4.340 -0.000 0.000 0.202 443 Q C 2.082 178.051 176.000 -0.053 0.000 0.980 443 Q CA 1.827 57.639 55.803 0.016 0.000 0.840 443 Q CB -0.700 28.079 28.738 0.068 0.000 0.898 443 Q HN 0.590 nan 8.270 nan 0.000 0.424 444 G N 1.309 110.068 108.800 -0.069 0.000 2.475 444 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.220 444 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.220 444 G C 1.355 176.088 174.900 -0.279 0.000 1.125 444 G CA 0.835 45.852 45.100 -0.139 0.000 0.755 444 G HN 0.362 nan 8.290 nan 0.000 0.565 445 L N -0.640 120.382 121.223 -0.335 0.000 2.465 445 L HA 0.120 4.460 4.340 -0.000 0.000 0.224 445 L C 2.820 179.227 176.870 -0.771 0.000 1.145 445 L CA 0.425 54.855 54.840 -0.682 0.000 0.834 445 L CB 0.007 41.692 42.059 -0.623 0.000 0.944 445 L HN 0.164 nan 8.230 nan 0.000 0.451 446 R N -0.916 119.386 120.500 -0.330 0.000 2.308 446 R HA 0.074 4.414 4.340 -0.000 0.000 0.202 446 R C 0.465 176.756 176.300 -0.015 0.000 0.898 446 R CA -0.153 55.882 56.100 -0.108 0.000 1.046 446 R CB 0.400 30.711 30.300 0.018 0.000 1.026 446 R HN 0.079 nan 8.270 nan 0.000 0.512 447 E N 2.083 122.254 120.200 -0.048 0.000 2.349 447 E HA 0.091 4.441 4.350 -0.000 0.000 0.265 447 E C -0.678 175.955 176.600 0.055 0.000 1.064 447 E CA -0.132 56.266 56.400 -0.003 0.000 0.886 447 E CB 0.722 30.400 29.700 -0.036 0.000 1.036 447 E HN -0.159 nan 8.360 nan 0.000 0.413 448 K N 1.771 122.210 120.400 0.065 0.000 2.336 448 K HA 0.056 4.376 4.320 -0.000 0.000 0.262 448 K C 0.012 176.715 176.600 0.171 0.000 0.992 448 K CA 0.164 56.509 56.287 0.097 0.000 0.927 448 K CB 0.343 32.876 32.500 0.056 0.000 0.956 448 K HN 0.488 nan 8.250 nan 0.000 0.495 449 H N 0.978 120.095 119.070 0.078 0.000 2.597 449 H HA 0.136 4.692 4.556 -0.000 0.000 0.225 449 H C 0.338 175.699 175.328 0.055 0.000 1.422 449 H CA 0.537 56.640 56.048 0.092 0.000 1.335 449 H CB -0.035 29.872 29.762 0.241 0.000 1.783 449 H HN 0.926 nan 8.280 nan 0.000 0.513 450 G N 0.905 109.622 108.800 -0.138 0.000 2.523 450 G HA2 -0.352 3.607 3.960 -0.000 0.000 0.271 450 G HA3 -0.352 3.607 3.960 -0.000 0.000 0.271 450 G C 1.014 175.887 174.900 -0.045 0.000 1.146 450 G CA 0.005 45.026 45.100 -0.132 0.000 0.961 450 G HN 0.633 nan 8.290 nan 0.000 0.549 451 G N -0.520 108.263 108.800 -0.028 0.000 3.284 451 G HA2 0.488 4.448 3.960 -0.000 0.000 0.236 451 G HA3 0.488 4.448 3.960 -0.000 0.000 0.236 451 G C 0.118 175.010 174.900 -0.013 0.000 1.158 451 G CA 1.048 46.143 45.100 -0.009 0.000 0.774 451 G HN 1.190 nan 8.290 nan 0.000 0.545 452 V N 1.534 121.446 119.914 -0.004 0.000 2.347 452 V HA 0.304 4.424 4.120 -0.000 0.000 0.280 452 V C -0.268 175.736 176.094 -0.150 0.000 1.021 452 V CA -0.680 61.555 62.300 -0.109 0.000 0.847 452 V CB 1.705 33.442 31.823 -0.143 0.000 0.990 452 V HN -0.030 nan 8.190 nan 0.000 0.444 453 V N 6.067 125.880 119.914 -0.168 0.000 2.333 453 V HA 0.417 4.537 4.120 -0.000 0.000 0.274 453 V C -0.333 175.697 176.094 -0.107 0.000 1.028 453 V CA -0.400 61.862 62.300 -0.064 0.000 0.851 453 V CB 0.771 32.588 31.823 -0.009 0.000 1.000 453 V HN 0.627 nan 8.190 nan 0.000 0.456 454 F N 3.555 123.562 119.950 0.095 0.000 2.411 454 F HA 0.695 5.222 4.527 -0.000 0.000 0.355 454 F C 0.596 176.695 175.800 0.498 0.000 1.117 454 F CA -0.131 57.993 58.000 0.208 0.000 1.139 454 F CB 1.337 40.305 39.000 -0.052 0.000 1.120 454 F HN 0.562 nan 8.300 nan 0.000 0.493 455 A N 4.300 127.521 122.820 0.668 0.000 2.427 455 A HA 0.700 5.019 4.320 -0.000 0.000 0.298 455 A C -1.164 176.363 177.584 -0.096 0.000 1.036 455 A CA -0.568 51.695 52.037 0.376 0.000 0.701 455 A CB 1.612 20.708 19.000 0.161 0.000 1.250 455 A HN 0.699 nan 8.150 nan 0.000 0.412 456 N N 0.964 119.218 118.700 -0.744 0.000 2.928 456 N HA 0.064 4.804 4.740 -0.000 0.000 0.247 456 N C 0.631 175.609 175.510 -0.888 0.000 1.141 456 N CA 0.274 52.761 53.050 -0.938 0.000 0.977 456 N CB 2.133 39.757 38.487 -1.437 0.000 1.663 456 N HN 0.492 nan 8.380 nan 0.000 0.509 457 S N 1.465 116.898 115.700 -0.446 0.000 2.400 457 S HA -0.196 4.274 4.470 -0.000 0.000 0.234 457 S C 0.781 175.178 174.600 -0.339 0.000 1.049 457 S CA 2.047 60.090 58.200 -0.262 0.000 1.039 457 S CB -0.197 62.956 63.200 -0.078 0.000 0.856 457 S HN 0.616 nan 8.310 nan 0.000 0.465 458 D N 0.131 120.236 120.400 -0.491 0.000 2.228 458 D HA -0.127 4.512 4.640 -0.000 0.000 0.203 458 D C 0.974 176.857 176.300 -0.694 0.000 0.988 458 D CA 1.298 54.978 54.000 -0.533 0.000 0.864 458 D CB -0.277 40.366 40.800 -0.263 0.000 0.928 458 D HN 0.935 nan 8.370 nan 0.000 0.469 459 W N -0.450 120.638 121.300 -0.354 0.000 2.128 459 W HA 0.744 5.404 4.660 -0.000 0.000 0.356 459 W C -0.149 176.273 176.519 -0.162 0.000 0.891 459 W CA -1.222 55.936 57.345 -0.312 0.000 2.408 459 W CB -0.588 28.738 29.460 -0.223 0.000 1.234 459 W HN -0.148 nan 8.180 nan 0.000 0.597 460 A N 1.052 123.800 122.820 -0.121 0.000 2.366 460 A HA 0.404 4.724 4.320 -0.000 0.000 0.250 460 A C 0.772 178.355 177.584 -0.001 0.000 1.099 460 A CA 0.202 52.219 52.037 -0.034 0.000 0.794 460 A CB 0.661 19.642 19.000 -0.033 0.000 1.056 460 A HN 0.374 nan 8.150 nan 0.000 0.499 461 L N 0.024 121.272 121.223 0.042 0.000 2.388 461 L HA 0.221 4.561 4.340 -0.000 0.000 0.209 461 L C 2.104 178.964 176.870 -0.018 0.000 1.061 461 L CA 2.027 56.893 54.840 0.045 0.000 0.834 461 L CB -1.301 40.841 42.059 0.138 0.000 1.029 461 L HN 0.864 nan 8.230 nan 0.000 0.473 462 G N -2.050 106.724 108.800 -0.044 0.000 2.722 462 G HA2 -0.111 3.848 3.960 -0.000 0.000 0.201 462 G HA3 -0.111 3.848 3.960 -0.000 0.000 0.201 462 G C -0.445 174.331 174.900 -0.207 0.000 1.926 462 G CA -0.312 44.540 45.100 -0.414 0.000 0.872 462 G HN 0.239 nan 8.290 nan 0.000 0.581 463 W N 2.731 123.997 121.300 -0.058 0.000 1.303 463 W HA 0.425 5.084 4.660 -0.000 0.000 0.478 463 W C 1.087 177.702 176.519 0.159 0.000 0.604 463 W CA -0.781 56.503 57.345 -0.102 0.000 2.319 463 W CB -0.294 29.005 29.460 -0.269 0.000 1.443 463 W HN 0.110 nan 8.180 nan 0.000 0.249 464 R N 1.865 122.541 120.500 0.293 0.000 2.522 464 R HA 0.103 4.443 4.340 -0.000 0.000 0.284 464 R C 1.350 177.862 176.300 0.353 0.000 1.032 464 R CA 1.432 57.660 56.100 0.214 0.000 1.049 464 R CB 0.542 30.877 30.300 0.057 0.000 0.956 464 R HN 0.430 nan 8.270 nan 0.000 0.422 465 S N 1.599 117.430 115.700 0.219 0.000 2.659 465 S HA -0.171 4.299 4.470 -0.000 0.000 0.264 465 S C -0.426 174.115 174.600 -0.098 0.000 1.310 465 S CA 0.771 59.086 58.200 0.191 0.000 1.262 465 S CB -2.038 61.423 63.200 0.436 0.000 1.548 465 S HN 0.506 nan 8.310 nan 0.000 0.657 466 F N 0.809 120.783 119.950 0.040 0.000 2.497 466 F HA 0.675 5.202 4.527 -0.000 0.000 0.331 466 F C 1.943 177.751 175.800 0.013 0.000 1.060 466 F CA -0.762 57.222 58.000 -0.028 0.000 0.989 466 F CB 0.480 39.426 39.000 -0.090 0.000 1.245 466 F HN -0.020 nan 8.300 nan 0.000 0.486 467 I N 0.494 121.178 120.570 0.189 0.000 2.145 467 I HA -0.346 3.824 4.170 -0.000 0.000 0.244 467 I C 1.971 178.148 176.117 0.101 0.000 1.075 467 I CA 2.011 63.380 61.300 0.115 0.000 1.332 467 I CB -0.332 37.681 38.000 0.022 0.000 1.033 467 I HN 0.747 nan 8.210 nan 0.000 0.410 468 D N 0.712 121.178 120.400 0.110 0.000 2.133 468 D HA -0.209 4.431 4.640 -0.000 0.000 0.192 468 D C 2.190 178.589 176.300 0.165 0.000 1.001 468 D CA 1.839 55.924 54.000 0.141 0.000 0.844 468 D CB -0.236 40.578 40.800 0.023 0.000 0.944 468 D HN 0.359 nan 8.370 nan 0.000 0.447 469 G N -0.314 108.602 108.800 0.193 0.000 2.408 469 G HA2 -0.154 3.806 3.960 -0.000 0.000 0.217 469 G HA3 -0.154 3.806 3.960 -0.000 0.000 0.217 469 G C 1.669 176.564 174.900 -0.009 0.000 1.150 469 G CA 0.906 46.068 45.100 0.103 0.000 0.776 469 G HN 0.430 nan 8.290 nan 0.000 0.542 470 A N 0.862 123.695 122.820 0.022 0.000 1.908 470 A HA 0.005 4.325 4.320 -0.000 0.000 0.218 470 A C 2.390 179.966 177.584 -0.012 0.000 1.181 470 A CA 1.376 53.408 52.037 -0.008 0.000 0.627 470 A CB -0.341 18.706 19.000 0.079 0.000 0.818 470 A HN 0.388 nan 8.150 nan 0.000 0.445 471 I N -0.793 119.792 120.570 0.024 0.000 2.233 471 I HA -0.220 3.950 4.170 -0.000 0.000 0.243 471 I C 2.543 178.633 176.117 -0.045 0.000 1.093 471 I CA 1.522 62.852 61.300 0.050 0.000 1.380 471 I CB -0.427 37.677 38.000 0.174 0.000 1.067 471 I HN 0.534 nan 8.210 nan 0.000 0.413 472 E N 1.208 121.241 120.200 -0.280 0.000 2.114 472 E HA -0.288 4.062 4.350 -0.000 0.000 0.199 472 E C 1.978 178.462 176.600 -0.194 0.000 1.008 472 E CA 1.539 57.594 56.400 -0.575 0.000 0.810 472 E CB 0.088 29.346 29.700 -0.737 0.000 0.739 472 E HN 0.400 nan 8.360 nan 0.000 0.456 473 E N -0.521 119.607 120.200 -0.119 0.000 2.112 473 E HA -0.060 4.290 4.350 -0.000 0.000 0.190 473 E C 2.027 178.619 176.600 -0.014 0.000 0.979 473 E CA 0.876 57.242 56.400 -0.058 0.000 0.814 473 E CB -0.375 29.251 29.700 -0.123 0.000 0.762 473 E HN 0.437 nan 8.360 nan 0.000 0.460 474 G N 0.687 109.476 108.800 -0.018 0.000 2.440 474 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.218 474 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.218 474 G C 1.684 176.605 174.900 0.035 0.000 1.154 474 G CA 1.524 46.630 45.100 0.009 0.000 0.767 474 G HN 0.237 nan 8.290 nan 0.000 0.552 475 T N 0.193 114.776 114.554 0.047 0.000 2.708 475 T HA -0.107 4.242 4.350 -0.000 0.000 0.266 475 T C 2.303 177.038 174.700 0.058 0.000 1.037 475 T CA 1.295 63.438 62.100 0.072 0.000 1.146 475 T CB -0.140 68.793 68.868 0.108 0.000 0.865 475 T HN 0.337 nan 8.240 nan 0.000 0.435 476 R N 1.004 121.532 120.500 0.047 0.000 2.096 476 R HA -0.022 4.318 4.340 -0.000 0.000 0.235 476 R C 2.525 178.855 176.300 0.049 0.000 1.127 476 R CA 1.353 57.486 56.100 0.054 0.000 0.968 476 R CB -0.400 29.938 30.300 0.062 0.000 0.861 476 R HN 0.381 nan 8.270 nan 0.000 0.440 477 A N 0.547 123.394 122.820 0.044 0.000 1.930 477 A HA -0.021 4.299 4.320 -0.000 0.000 0.217 477 A C 2.296 179.881 177.584 0.002 0.000 1.175 477 A CA 1.418 53.474 52.037 0.031 0.000 0.627 477 A CB -0.559 18.460 19.000 0.031 0.000 0.815 477 A HN 0.522 nan 8.150 nan 0.000 0.443 478 A N -0.174 122.652 122.820 0.009 0.000 1.929 478 A HA -0.087 4.233 4.320 -0.000 0.000 0.216 478 A C 2.180 179.760 177.584 -0.007 0.000 1.176 478 A CA 1.708 53.740 52.037 -0.008 0.000 0.628 478 A CB -0.412 18.606 19.000 0.030 0.000 0.816 478 A HN 0.528 nan 8.150 nan 0.000 0.444 479 R N -0.509 120.006 120.500 0.024 0.000 2.081 479 R HA -0.071 4.268 4.340 -0.000 0.000 0.235 479 R C 1.868 178.178 176.300 0.017 0.000 1.131 479 R CA 1.731 57.851 56.100 0.033 0.000 0.960 479 R CB -0.608 29.721 30.300 0.049 0.000 0.856 479 R HN 0.217 nan 8.270 nan 0.000 0.436 480 V N 0.031 119.952 119.914 0.012 0.000 2.287 480 V HA -0.232 3.888 4.120 -0.000 0.000 0.248 480 V C 2.121 178.201 176.094 -0.024 0.000 1.053 480 V CA 1.822 64.126 62.300 0.006 0.000 1.027 480 V CB -0.256 31.578 31.823 0.017 0.000 0.646 480 V HN 0.249 nan 8.190 nan 0.000 0.447 481 V N 0.417 120.290 119.914 -0.069 0.000 2.876 481 V HA -0.171 3.949 4.120 -0.000 0.000 0.265 481 V C 0.568 176.575 176.094 -0.146 0.000 1.135 481 V CA 1.012 63.225 62.300 -0.144 0.000 1.152 481 V CB -0.735 30.946 31.823 -0.237 0.000 0.727 481 V HN 0.346 nan 8.190 nan 0.000 0.511 482 L N -0.307 120.883 121.223 -0.055 0.000 2.366 482 L HA 0.466 4.806 4.340 -0.000 0.000 0.266 482 L C 0.622 177.518 176.870 0.043 0.000 1.010 482 L CA -0.416 54.440 54.840 0.028 0.000 0.879 482 L CB 0.202 42.315 42.059 0.090 0.000 1.228 482 L HN 0.167 nan 8.230 nan 0.000 0.439 483 E N 0.047 120.272 120.200 0.041 0.000 4.005 483 E HA -0.279 4.071 4.350 -0.000 0.000 0.349 483 E C 0.225 176.849 176.600 0.040 0.000 0.635 483 E CA 1.338 57.755 56.400 0.029 0.000 1.238 483 E CB -0.127 29.575 29.700 0.004 0.000 1.698 483 E HN 0.792 nan 8.360 nan 0.000 0.418 484 E N 0.000 120.249 120.200 0.082 0.000 2.725 484 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 484 E CA 0.000 56.482 56.400 0.137 0.000 0.976 484 E CB 0.000 29.787 29.700 0.146 0.000 0.812 484 E HN 0.000 nan 8.360 nan 0.000 0.440