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 3ny9_1_A DATA FIRST_RESID 32 DATA SEQUENCE WVVGMGIVMS LIVLAIVFGN VLVITAIAKF ERLQTVTNYF ITSLACADLV DATA SEQUENCE MGLAVVPFGA AHILMKMWTF GNFWcEFWTS IDVLCVTASI WTLCVIAVDR DATA SEQUENCE YFAITSPFKY QSLLTKNKAR VIILMVWIVS GLTSFLPIQM HWYRATHQEA DATA SEQUENCE INcYAEETcc DFFTNQAYAI ASSIVSFYVP LVIMVFVYSR VFQEAKRQLX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XKFCLKEHKA LKTLGIIMGT DATA SEQUENCE FTLCWLPFFI VNIVHVIQDN LIRKEVYILL NWIGYVNSGF NPLIYCRSPD DATA SEQUENCE FRIAFQELLC LXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX NIFEMLRIDE GLRLKIYKDT EGYYTIGIGH DATA SEQUENCE LLTKSPSLNA AKSELDKAIG RNTNGVITKD EAEKLFNQDV DAAVRGILRN DATA SEQUENCE AKLKPVYDSL DAVRRAALIN MVFQMGETGV AGFTNSLRML QQKRWDEAAV DATA SEQUENCE NLAKSRWYNQ TPNRAKRVIT TFRTGTWDAY 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 32 W HA 0.000 nan 4.660 nan 0.000 0.303 32 W C 0.000 176.501 176.519 -0.031 0.000 1.175 32 W CA 0.000 57.331 57.345 -0.024 0.000 1.226 32 W CB 0.000 29.446 29.460 -0.023 0.000 1.126 33 V N 1.559 121.455 119.914 -0.030 0.000 2.720 33 V HA -0.210 3.910 4.120 -0.000 0.000 0.256 33 V C 2.236 178.309 176.094 -0.036 0.000 1.082 33 V CA 2.474 64.752 62.300 -0.037 0.000 1.101 33 V CB -0.345 31.459 31.823 -0.032 0.000 0.693 33 V HN 0.429 nan 8.190 nan 0.000 0.479 34 V N 0.712 120.609 119.914 -0.028 0.000 2.332 34 V HA -0.223 3.897 4.120 -0.000 0.000 0.248 34 V C 2.646 178.723 176.094 -0.029 0.000 1.055 34 V CA 2.185 64.470 62.300 -0.026 0.000 1.038 34 V CB -1.485 30.326 31.823 -0.021 0.000 0.651 34 V HN 0.607 nan 8.190 nan 0.000 0.450 35 G N -0.690 108.092 108.800 -0.031 0.000 2.529 35 G HA2 -0.367 3.593 3.960 -0.000 0.000 0.219 35 G HA3 -0.367 3.593 3.960 -0.000 0.000 0.219 35 G C 1.646 176.520 174.900 -0.042 0.000 1.177 35 G CA 1.533 46.613 45.100 -0.032 0.000 0.773 35 G HN 0.416 nan 8.290 nan 0.000 0.573 36 M N 0.590 120.155 119.600 -0.058 0.000 2.082 36 M HA -0.063 4.417 4.480 -0.000 0.000 0.258 36 M C 2.866 179.125 176.300 -0.069 0.000 1.069 36 M CA 1.631 56.880 55.300 -0.086 0.000 1.102 36 M CB -0.622 31.907 32.600 -0.118 0.000 1.336 36 M HN 0.326 nan 8.290 nan 0.000 0.404 37 G N 0.533 109.304 108.800 -0.049 0.000 2.513 37 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.219 37 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.219 37 G C 1.367 176.256 174.900 -0.019 0.000 1.160 37 G CA 1.267 46.350 45.100 -0.029 0.000 0.767 37 G HN 0.454 nan 8.290 nan 0.000 0.571 38 I N 0.120 120.678 120.570 -0.021 0.000 2.142 38 I HA -0.158 4.012 4.170 -0.000 0.000 0.240 38 I C 2.812 178.925 176.117 -0.008 0.000 1.078 38 I CA 0.542 61.833 61.300 -0.015 0.000 1.343 38 I CB -0.539 37.450 38.000 -0.017 0.000 1.046 38 I HN 0.031 nan 8.210 nan 0.000 0.405 39 V N 0.714 120.620 119.914 -0.013 0.000 2.282 39 V HA -0.351 3.769 4.120 -0.000 0.000 0.249 39 V C 2.466 178.574 176.094 0.024 0.000 1.057 39 V CA 2.237 64.535 62.300 -0.003 0.000 1.032 39 V CB -0.505 31.305 31.823 -0.023 0.000 0.645 39 V HN 0.411 nan 8.190 nan 0.000 0.447 40 M N -0.867 118.745 119.600 0.020 0.000 2.254 40 M HA -0.102 4.378 4.480 -0.000 0.000 0.265 40 M C 2.298 178.654 176.300 0.093 0.000 1.066 40 M CA 1.463 56.820 55.300 0.095 0.000 1.123 40 M CB -0.277 32.361 32.600 0.062 0.000 1.388 40 M HN 0.307 nan 8.290 nan 0.000 0.425 41 S N 0.792 116.515 115.700 0.039 0.000 2.371 41 S HA 0.002 4.472 4.470 -0.000 0.000 0.224 41 S C 1.827 176.435 174.600 0.013 0.000 1.029 41 S CA 0.968 59.180 58.200 0.019 0.000 0.978 41 S CB -0.343 62.857 63.200 -0.001 0.000 0.833 41 S HN 0.398 nan 8.310 nan 0.000 0.466 42 L N 0.995 122.225 121.223 0.010 0.000 2.131 42 L HA -0.090 4.249 4.340 -0.000 0.000 0.210 42 L C 2.129 179.006 176.870 0.012 0.000 1.092 42 L CA 0.997 55.837 54.840 0.001 0.000 0.759 42 L CB -0.613 41.446 42.059 -0.001 0.000 0.903 42 L HN 0.297 nan 8.230 nan 0.000 0.435 43 I N -1.049 119.542 120.570 0.036 0.000 2.163 43 I HA -0.238 3.931 4.170 -0.000 0.000 0.240 43 I C 2.478 178.602 176.117 0.012 0.000 1.081 43 I CA 0.952 62.273 61.300 0.034 0.000 1.353 43 I CB -0.276 37.784 38.000 0.100 0.000 1.054 43 I HN -0.039 nan 8.210 nan 0.000 0.407 44 V N 1.358 121.285 119.914 0.022 0.000 2.252 44 V HA -0.325 3.795 4.120 -0.000 0.000 0.249 44 V C 2.443 178.545 176.094 0.012 0.000 1.056 44 V CA 1.968 64.269 62.300 0.002 0.000 1.022 44 V CB -0.670 31.152 31.823 -0.002 0.000 0.641 44 V HN 0.366 nan 8.190 nan 0.000 0.445 45 L N -0.011 121.221 121.223 0.015 0.000 2.012 45 L HA -0.218 4.122 4.340 -0.000 0.000 0.210 45 L C 2.740 179.653 176.870 0.071 0.000 1.073 45 L CA 1.814 56.670 54.840 0.027 0.000 0.748 45 L CB -0.886 41.166 42.059 -0.012 0.000 0.891 45 L HN 0.388 nan 8.230 nan 0.000 0.431 46 A N 0.127 122.977 122.820 0.050 0.000 1.933 46 A HA -0.157 4.163 4.320 -0.000 0.000 0.218 46 A C 2.201 179.835 177.584 0.083 0.000 1.175 46 A CA 1.454 53.544 52.037 0.088 0.000 0.628 46 A CB -0.621 18.401 19.000 0.037 0.000 0.814 46 A HN 0.377 nan 8.150 nan 0.000 0.444 47 I N -0.564 120.022 120.570 0.027 0.000 2.202 47 I HA -0.204 3.966 4.170 -0.000 0.000 0.242 47 I C 2.339 178.480 176.117 0.041 0.000 1.091 47 I CA 1.200 62.505 61.300 0.007 0.000 1.368 47 I CB -0.455 37.528 38.000 -0.028 0.000 1.058 47 I HN 0.149 nan 8.210 nan 0.000 0.410 48 V N 0.773 120.723 119.914 0.060 0.000 2.307 48 V HA -0.294 3.826 4.120 -0.000 0.000 0.245 48 V C 2.288 178.436 176.094 0.090 0.000 1.045 48 V CA 1.977 64.319 62.300 0.069 0.000 1.024 48 V CB -0.753 31.113 31.823 0.071 0.000 0.651 48 V HN 0.360 nan 8.190 nan 0.000 0.449 49 F N 2.039 121.976 119.950 -0.021 0.000 2.051 49 F HA -0.056 4.472 4.527 0.000 0.000 0.296 49 F C 2.247 178.016 175.800 -0.052 0.000 1.122 49 F CA 1.881 59.862 58.000 -0.032 0.000 1.201 49 F CB -1.074 37.904 39.000 -0.036 0.000 0.978 49 F HN 0.129 nan 8.300 nan 0.000 0.472 50 G N 0.492 109.258 108.800 -0.057 0.000 2.491 50 G HA2 -0.340 3.619 3.960 -0.000 0.000 0.218 50 G HA3 -0.340 3.619 3.960 -0.000 0.000 0.218 50 G C 1.585 176.381 174.900 -0.173 0.000 1.180 50 G CA 1.156 46.144 45.100 -0.187 0.000 0.774 50 G HN 0.418 nan 8.290 nan 0.000 0.562 51 N N 0.152 118.820 118.700 -0.052 0.000 2.216 51 N HA -0.059 4.681 4.740 -0.000 0.000 0.183 51 N C 2.312 177.814 175.510 -0.012 0.000 1.017 51 N CA 0.877 53.932 53.050 0.008 0.000 0.861 51 N CB -0.233 38.287 38.487 0.055 0.000 0.986 51 N HN 0.163 nan 8.380 nan 0.000 0.428 52 V N 1.690 121.575 119.914 -0.049 0.000 2.490 52 V HA -0.174 3.946 4.120 -0.000 0.000 0.250 52 V C 2.342 178.388 176.094 -0.080 0.000 1.061 52 V CA 0.894 63.166 62.300 -0.046 0.000 1.064 52 V CB -0.362 31.441 31.823 -0.034 0.000 0.670 52 V HN 0.154 nan 8.190 nan 0.000 0.461 53 L N -0.284 120.813 121.223 -0.210 0.000 1.976 53 L HA -0.137 4.203 4.340 -0.000 0.000 0.209 53 L C 2.432 179.322 176.870 0.035 0.000 1.071 53 L CA 1.963 56.663 54.840 -0.234 0.000 0.746 53 L CB -0.676 41.001 42.059 -0.637 0.000 0.890 53 L HN 0.144 nan 8.230 nan 0.000 0.432 54 V N -0.246 119.719 119.914 0.085 0.000 2.287 54 V HA -0.343 3.777 4.120 -0.000 0.000 0.248 54 V C 2.473 178.707 176.094 0.234 0.000 1.053 54 V CA 2.199 64.676 62.300 0.294 0.000 1.027 54 V CB -0.513 31.450 31.823 0.233 0.000 0.646 54 V HN 0.400 nan 8.190 nan 0.000 0.447 55 I N 0.333 120.980 120.570 0.128 0.000 2.118 55 I HA -0.294 3.876 4.170 -0.000 0.000 0.241 55 I C 2.531 178.699 176.117 0.085 0.000 1.070 55 I CA 2.285 63.637 61.300 0.086 0.000 1.327 55 I CB -0.766 37.257 38.000 0.040 0.000 1.034 55 I HN 0.363 nan 8.210 nan 0.000 0.405 56 T N 0.445 115.049 114.554 0.083 0.000 2.857 56 T HA -0.053 4.297 4.350 -0.000 0.000 0.266 56 T C 2.071 176.859 174.700 0.147 0.000 1.048 56 T CA 1.034 63.179 62.100 0.075 0.000 1.139 56 T CB -0.443 68.455 68.868 0.050 0.000 0.874 56 T HN 0.449 nan 8.240 nan 0.000 0.455 57 A N 1.567 124.545 122.820 0.264 0.000 1.892 57 A HA -0.081 4.239 4.320 -0.000 0.000 0.218 57 A C 2.301 180.064 177.584 0.299 0.000 1.188 57 A CA 1.473 53.744 52.037 0.390 0.000 0.631 57 A CB -0.844 18.431 19.000 0.458 0.000 0.822 57 A HN 0.530 nan 8.150 nan 0.000 0.447 58 I N -0.631 120.054 120.570 0.191 0.000 2.286 58 I HA -0.174 3.995 4.170 -0.000 0.000 0.245 58 I C 2.923 179.085 176.117 0.076 0.000 1.104 58 I CA 0.874 62.242 61.300 0.113 0.000 1.397 58 I CB -0.308 37.769 38.000 0.128 0.000 1.072 58 I HN 0.333 nan 8.210 nan 0.000 0.417 59 A N 1.001 123.845 122.820 0.040 0.000 1.972 59 A HA -0.237 4.083 4.320 -0.000 0.000 0.219 59 A C 2.476 180.022 177.584 -0.063 0.000 1.169 59 A CA 2.454 54.479 52.037 -0.020 0.000 0.635 59 A CB -0.696 18.282 19.000 -0.036 0.000 0.810 59 A HN 0.409 nan 8.150 nan 0.000 0.446 60 K N -1.490 118.844 120.400 -0.110 0.000 2.308 60 K HA 0.429 4.749 4.320 -0.000 0.000 0.197 60 K C 0.132 176.449 176.600 -0.472 0.000 1.049 60 K CA 0.358 56.447 56.287 -0.330 0.000 0.991 60 K CB -0.160 32.042 32.500 -0.496 0.000 0.836 60 K HN 0.365 nan 8.250 nan 0.000 0.500 61 F N 1.548 121.480 119.950 -0.030 0.000 2.411 61 F HA 0.383 4.909 4.527 -0.001 0.000 0.352 61 F C 0.942 176.705 175.800 -0.061 0.000 1.123 61 F CA -1.153 56.816 58.000 -0.053 0.000 1.044 61 F CB 2.275 41.226 39.000 -0.082 0.000 1.135 61 F HN 0.055 nan 8.300 nan 0.000 0.461 62 E N 1.214 121.479 120.200 0.109 0.000 2.072 62 E HA -0.129 4.221 4.350 -0.000 0.000 0.191 62 E C 2.018 178.628 176.600 0.016 0.000 0.985 62 E CA 0.921 57.347 56.400 0.042 0.000 0.801 62 E CB -0.106 29.606 29.700 0.020 0.000 0.750 62 E HN 0.470 nan 8.360 nan 0.000 0.452 63 R N 0.032 120.542 120.500 0.017 0.000 2.261 63 R HA -0.088 4.252 4.340 -0.000 0.000 0.236 63 R C 0.954 177.197 176.300 -0.095 0.000 1.141 63 R CA 0.868 56.941 56.100 -0.044 0.000 1.001 63 R CB -0.059 30.202 30.300 -0.066 0.000 0.866 63 R HN 0.204 nan 8.270 nan 0.000 0.468 64 L N -0.207 120.964 121.223 -0.086 0.000 2.808 64 L HA 0.155 4.495 4.340 -0.000 0.000 0.246 64 L C 0.130 176.970 176.870 -0.050 0.000 1.153 64 L CA -0.083 54.663 54.840 -0.156 0.000 0.956 64 L CB 0.659 42.541 42.059 -0.295 0.000 1.270 64 L HN 0.045 nan 8.230 nan 0.000 0.528 65 Q N 1.995 121.791 119.800 -0.006 0.000 3.181 65 Q HA 0.125 4.465 4.340 -0.000 0.000 0.293 65 Q C 0.200 176.120 176.000 -0.132 0.000 1.406 65 Q CA -0.062 55.772 55.803 0.051 0.000 1.026 65 Q CB 0.129 28.926 28.738 0.097 0.000 1.630 65 Q HN 0.290 nan 8.270 nan 0.000 0.553 66 T N -4.241 110.216 114.554 -0.163 0.000 2.950 66 T HA 0.308 4.657 4.350 -0.000 0.000 0.288 66 T C 1.299 175.761 174.700 -0.397 0.000 1.035 66 T CA -0.805 61.141 62.100 -0.258 0.000 1.028 66 T CB 1.463 70.261 68.868 -0.117 0.000 1.109 66 T HN 0.025 nan 8.240 nan 0.000 0.514 67 V N 1.524 121.201 119.914 -0.395 0.000 2.282 67 V HA -0.218 3.902 4.120 -0.000 0.000 0.249 67 V C 2.973 178.913 176.094 -0.257 0.000 1.057 67 V CA 2.806 64.854 62.300 -0.420 0.000 1.032 67 V CB -1.340 30.340 31.823 -0.238 0.000 0.645 67 V HN 1.124 nan 8.190 nan 0.000 0.447 68 T N 0.300 114.858 114.554 0.007 0.000 2.684 68 T HA -0.189 4.161 4.350 -0.000 0.000 0.267 68 T C 1.715 176.530 174.700 0.192 0.000 1.036 68 T CA 1.756 63.979 62.100 0.206 0.000 1.148 68 T CB -0.425 68.563 68.868 0.200 0.000 0.863 68 T HN 0.436 nan 8.240 nan 0.000 0.436 69 N N 0.243 119.021 118.700 0.130 0.000 2.453 69 N HA -0.023 4.717 4.740 -0.000 0.000 0.183 69 N C 1.348 177.009 175.510 0.252 0.000 1.041 69 N CA 0.560 53.723 53.050 0.188 0.000 0.900 69 N CB -0.319 38.255 38.487 0.145 0.000 0.961 69 N HN 0.408 nan 8.380 nan 0.000 0.443 70 Y N 0.166 120.407 120.300 -0.099 0.000 2.163 70 Y HA -0.041 4.510 4.550 0.003 0.000 0.288 70 Y C 1.820 177.675 175.900 -0.075 0.000 1.136 70 Y CA 0.411 58.415 58.100 -0.161 0.000 1.147 70 Y CB -0.766 37.494 38.460 -0.333 0.000 0.987 70 Y HN -0.054 nan 8.280 nan 0.000 0.509 71 F N -0.683 119.414 119.950 0.246 0.000 2.171 71 F HA -0.167 4.359 4.527 -0.001 0.000 0.300 71 F C 2.363 178.257 175.800 0.158 0.000 1.090 71 F CA 0.777 58.884 58.000 0.178 0.000 1.293 71 F CB -1.326 37.760 39.000 0.143 0.000 1.013 71 F HN -0.031 nan 8.300 nan 0.000 0.486 72 I N -0.432 120.328 120.570 0.316 0.000 2.286 72 I HA -0.288 3.882 4.170 -0.000 0.000 0.248 72 I C 2.223 178.454 176.117 0.191 0.000 1.115 72 I CA 1.458 62.889 61.300 0.217 0.000 1.392 72 I CB -0.631 37.430 38.000 0.102 0.000 1.065 72 I HN 0.108 nan 8.210 nan 0.000 0.418 73 T N -0.800 113.854 114.554 0.167 0.000 2.720 73 T HA -0.226 4.124 4.350 -0.000 0.000 0.268 73 T C 2.093 176.881 174.700 0.146 0.000 1.037 73 T CA 1.791 63.959 62.100 0.113 0.000 1.144 73 T CB -0.352 68.525 68.868 0.014 0.000 0.864 73 T HN 0.323 nan 8.240 nan 0.000 0.444 74 S N 0.593 116.423 115.700 0.218 0.000 2.370 74 S HA -0.084 4.386 4.470 -0.000 0.000 0.226 74 S C 1.957 176.792 174.600 0.391 0.000 1.033 74 S CA 0.730 59.141 58.200 0.351 0.000 1.011 74 S CB -0.456 63.031 63.200 0.477 0.000 0.852 74 S HN 0.234 nan 8.310 nan 0.000 0.457 75 L N 1.758 123.158 121.223 0.295 0.000 1.994 75 L HA 0.108 4.447 4.340 -0.000 0.000 0.208 75 L C 2.658 179.676 176.870 0.247 0.000 1.071 75 L CA 2.139 57.129 54.840 0.249 0.000 0.745 75 L CB -1.472 40.718 42.059 0.218 0.000 0.892 75 L HN 0.354 nan 8.230 nan 0.000 0.431 76 A N -1.767 121.187 122.820 0.223 0.000 1.902 76 A HA -0.244 4.076 4.320 -0.000 0.000 0.217 76 A C 2.468 180.150 177.584 0.164 0.000 1.181 76 A CA 1.748 53.899 52.037 0.190 0.000 0.623 76 A CB -1.431 17.669 19.000 0.166 0.000 0.818 76 A HN 0.591 nan 8.150 nan 0.000 0.443 77 C N -1.061 118.334 119.300 0.160 0.000 2.393 77 C HA -0.088 4.371 4.460 -0.000 0.000 0.276 77 C C 3.340 178.456 174.990 0.211 0.000 1.215 77 C CA 1.118 60.209 59.018 0.120 0.000 1.743 77 C CB -1.354 26.402 27.740 0.028 0.000 2.044 77 C HN 0.710 nan 8.230 nan 0.000 0.464 78 A N 0.141 123.191 122.820 0.384 0.000 1.940 78 A HA -0.218 4.102 4.320 -0.000 0.000 0.219 78 A C 1.761 179.489 177.584 0.240 0.000 1.176 78 A CA 2.268 54.554 52.037 0.416 0.000 0.631 78 A CB -0.524 18.693 19.000 0.361 0.000 0.814 78 A HN 0.616 nan 8.150 nan 0.000 0.446 79 D N -0.884 119.635 120.400 0.199 0.000 2.234 79 D HA -0.032 4.608 4.640 -0.000 0.000 0.205 79 D C 1.779 178.140 176.300 0.102 0.000 0.962 79 D CA 0.671 54.757 54.000 0.144 0.000 0.855 79 D CB -0.148 40.737 40.800 0.141 0.000 0.951 79 D HN 0.362 nan 8.370 nan 0.000 0.500 80 L N 0.636 121.924 121.223 0.107 0.000 2.056 80 L HA -0.102 4.238 4.340 -0.000 0.000 0.207 80 L C 2.137 179.060 176.870 0.087 0.000 1.078 80 L CA 1.227 56.115 54.840 0.080 0.000 0.749 80 L CB -0.333 41.765 42.059 0.066 0.000 0.901 80 L HN -0.168 nan 8.230 nan 0.000 0.433 81 V N -0.682 119.300 119.914 0.113 0.000 2.427 81 V HA -0.297 3.823 4.120 -0.000 0.000 0.248 81 V C 2.527 178.689 176.094 0.113 0.000 1.051 81 V CA 1.813 64.190 62.300 0.129 0.000 1.048 81 V CB -0.585 31.336 31.823 0.164 0.000 0.666 81 V HN 0.519 nan 8.190 nan 0.000 0.456 82 M N 1.364 121.016 119.600 0.086 0.000 2.065 82 M HA -0.085 4.395 4.480 -0.000 0.000 0.259 82 M C 2.042 178.330 176.300 -0.020 0.000 1.069 82 M CA 2.405 57.715 55.300 0.017 0.000 1.110 82 M CB -1.143 31.474 32.600 0.029 0.000 1.328 82 M HN 0.288 nan 8.290 nan 0.000 0.405 83 G N -0.432 108.369 108.800 0.001 0.000 2.418 83 G HA2 -0.139 3.821 3.960 -0.000 0.000 0.217 83 G HA3 -0.139 3.821 3.960 -0.000 0.000 0.217 83 G C 1.489 176.408 174.900 0.031 0.000 1.158 83 G CA 1.106 46.200 45.100 -0.011 0.000 0.771 83 G HN 0.477 nan 8.290 nan 0.000 0.545 84 L N 0.206 121.476 121.223 0.077 0.000 2.049 84 L HA 0.123 4.463 4.340 -0.000 0.000 0.203 84 L C 3.134 180.144 176.870 0.233 0.000 1.074 84 L CA 1.170 56.079 54.840 0.115 0.000 0.749 84 L CB -0.196 41.929 42.059 0.111 0.000 0.907 84 L HN 0.294 nan 8.230 nan 0.000 0.439 85 A N -1.770 121.226 122.820 0.294 0.000 2.267 85 A HA 0.201 4.520 4.320 -0.000 0.000 0.213 85 A C 1.765 179.718 177.584 0.614 0.000 1.192 85 A CA 0.370 52.714 52.037 0.512 0.000 0.851 85 A CB 0.203 19.453 19.000 0.417 0.000 0.881 85 A HN 0.194 nan 8.150 nan 0.000 0.494 86 V N -1.760 118.381 119.914 0.378 0.000 3.054 86 V HA -0.028 4.092 4.120 -0.000 0.000 0.227 86 V C 2.293 178.553 176.094 0.276 0.000 1.252 86 V CA 1.055 63.533 62.300 0.296 0.000 1.279 86 V CB -0.222 31.524 31.823 -0.129 0.000 1.118 86 V HN 0.173 nan 8.190 nan 0.000 0.504 87 V N 1.302 121.129 119.914 -0.145 0.000 2.287 87 V HA -0.146 3.974 4.120 -0.000 0.000 0.248 87 V C -0.123 175.965 176.094 -0.010 0.000 1.053 87 V CA 2.674 64.757 62.300 -0.362 0.000 1.027 87 V CB -2.031 29.520 31.823 -0.454 0.000 0.646 87 V HN 0.463 nan 8.190 nan 0.000 0.447 88 P HA -0.156 nan 4.420 nan 0.000 0.215 88 P C 1.520 178.710 177.300 -0.183 0.000 1.157 88 P CA 1.672 64.672 63.100 -0.165 0.000 0.874 88 P CB -0.200 31.231 31.700 -0.448 0.000 0.790 89 F N -1.212 118.764 119.950 0.044 0.000 2.604 89 F HA 0.097 4.624 4.527 -0.000 0.000 0.298 89 F C 2.368 178.185 175.800 0.028 0.000 1.131 89 F CA 0.988 58.897 58.000 -0.152 0.000 1.457 89 F CB -1.322 37.399 39.000 -0.466 0.000 1.095 89 F HN -0.056 nan 8.300 nan 0.000 0.574 90 G N -0.224 108.848 108.800 0.452 0.000 2.426 90 G HA2 -0.014 3.946 3.960 -0.000 0.000 0.214 90 G HA3 -0.014 3.946 3.960 -0.000 0.000 0.214 90 G C 1.867 177.192 174.900 0.708 0.000 1.156 90 G CA 0.646 46.163 45.100 0.695 0.000 0.802 90 G HN 0.389 nan 8.290 nan 0.000 0.534 91 A N 1.230 124.384 122.820 0.556 0.000 1.897 91 A HA 0.387 4.707 4.320 -0.000 0.000 0.215 91 A C 2.769 180.482 177.584 0.214 0.000 1.181 91 A CA 1.963 54.212 52.037 0.353 0.000 0.620 91 A CB -0.706 18.459 19.000 0.275 0.000 0.821 91 A HN 0.652 nan 8.150 nan 0.000 0.443 92 A N -1.135 121.815 122.820 0.216 0.000 1.902 92 A HA -0.210 4.110 4.320 -0.000 0.000 0.217 92 A C 2.055 179.806 177.584 0.278 0.000 1.181 92 A CA 1.772 53.934 52.037 0.207 0.000 0.623 92 A CB -1.029 18.139 19.000 0.280 0.000 0.818 92 A HN 0.789 nan 8.150 nan 0.000 0.443 93 H N -0.580 118.644 119.070 0.256 0.000 2.290 93 H HA -0.124 4.432 4.556 -0.000 0.000 0.298 93 H C 2.028 177.478 175.328 0.204 0.000 1.087 93 H CA 1.735 57.958 56.048 0.292 0.000 1.291 93 H CB -0.065 29.930 29.762 0.388 0.000 1.369 93 H HN 0.477 nan 8.280 nan 0.000 0.492 94 I N 0.608 121.281 120.570 0.171 0.000 2.163 94 I HA -0.296 3.873 4.170 -0.000 0.000 0.240 94 I C 2.445 178.565 176.117 0.005 0.000 1.081 94 I CA 0.970 62.274 61.300 0.006 0.000 1.353 94 I CB -0.152 37.813 38.000 -0.059 0.000 1.054 94 I HN 0.262 nan 8.210 nan 0.000 0.407 95 L N -0.446 120.794 121.223 0.028 0.000 2.275 95 L HA -0.146 4.194 4.340 -0.000 0.000 0.215 95 L C 2.233 179.116 176.870 0.021 0.000 1.119 95 L CA 1.204 56.049 54.840 0.008 0.000 0.790 95 L CB -0.284 41.778 42.059 0.005 0.000 0.919 95 L HN 0.323 nan 8.230 nan 0.000 0.443 96 M N -1.290 118.342 119.600 0.053 0.000 2.441 96 M HA 0.051 4.531 4.480 -0.000 0.000 0.244 96 M C 0.384 176.721 176.300 0.063 0.000 1.122 96 M CA 0.219 55.546 55.300 0.046 0.000 1.041 96 M CB 0.408 33.029 32.600 0.036 0.000 1.438 96 M HN -0.056 nan 8.290 nan 0.000 0.484 97 K N 0.614 121.054 120.400 0.066 0.000 2.975 97 K HA -0.198 4.121 4.320 -0.000 0.000 0.257 97 K C -0.454 176.226 176.600 0.132 0.000 1.005 97 K CA 0.982 57.306 56.287 0.061 0.000 0.738 97 K CB -1.788 30.733 32.500 0.036 0.000 1.236 97 K HN 0.501 nan 8.250 nan 0.000 0.483 98 M N -3.727 116.017 119.600 0.241 0.000 2.790 98 M HA 0.397 4.877 4.480 -0.000 0.000 0.272 98 M C -1.752 174.825 176.300 0.462 0.000 1.168 98 M CA -1.279 54.214 55.300 0.322 0.000 0.829 98 M CB 1.295 33.997 32.600 0.170 0.000 1.675 98 M HN 0.319 nan 8.290 nan 0.000 0.505 99 W N 1.422 122.799 121.300 0.128 0.000 2.316 99 W HA 0.620 5.280 4.660 -0.000 0.000 0.311 99 W C 0.472 176.936 176.519 -0.092 0.000 1.217 99 W CA 0.518 57.850 57.345 -0.022 0.000 1.199 99 W CB 1.812 31.233 29.460 -0.066 0.000 1.202 99 W HN 1.339 nan 8.180 nan 0.000 0.528 100 T N 2.925 117.008 114.554 -0.785 0.000 3.023 100 T HA 0.091 4.441 4.350 -0.000 0.000 0.253 100 T C 0.506 174.607 174.700 -0.998 0.000 1.038 100 T CA 0.365 61.918 62.100 -0.912 0.000 0.962 100 T CB -0.208 67.963 68.868 -1.162 0.000 1.018 100 T HN 0.338 nan 8.240 nan 0.000 0.521 101 F N 1.386 120.870 119.950 -0.776 0.000 2.661 101 F HA 0.486 5.014 4.527 0.000 0.000 0.306 101 F C 1.481 177.305 175.800 0.040 0.000 1.094 101 F CA -0.450 57.297 58.000 -0.422 0.000 1.254 101 F CB 0.277 38.972 39.000 -0.509 0.000 1.040 101 F HN 0.377 nan 8.300 nan 0.000 0.562 102 G N 0.970 109.943 108.800 0.290 0.000 2.796 102 G HA2 -0.288 3.671 3.960 -0.000 0.000 0.571 102 G HA3 -0.288 3.671 3.960 -0.000 0.000 0.571 102 G C 0.444 175.715 174.900 0.619 0.000 1.370 102 G CA -0.191 45.166 45.100 0.428 0.000 0.856 102 G HN 0.138 nan 8.290 nan 0.000 0.538 103 N N -0.896 118.063 118.700 0.432 0.000 2.250 103 N HA -0.011 4.729 4.740 -0.000 0.000 0.181 103 N C 2.121 177.853 175.510 0.370 0.000 1.017 103 N CA 1.752 55.016 53.050 0.356 0.000 0.866 103 N CB -0.329 38.323 38.487 0.274 0.000 0.985 103 N HN 0.538 nan 8.380 nan 0.000 0.429 104 F N 0.584 120.706 119.950 0.286 0.000 2.102 104 F HA -0.142 4.385 4.527 -0.000 0.000 0.298 104 F C 2.305 178.326 175.800 0.368 0.000 1.105 104 F CA 1.393 59.552 58.000 0.265 0.000 1.239 104 F CB -0.489 38.629 39.000 0.196 0.000 0.991 104 F HN 0.158 nan 8.300 nan 0.000 0.474 105 W N 0.480 121.846 121.300 0.110 0.000 2.519 105 W HA -0.165 4.495 4.660 -0.000 0.000 0.266 105 W C 2.436 179.124 176.519 0.282 0.000 1.253 105 W CA 1.136 58.512 57.345 0.052 0.000 1.274 105 W CB -0.634 28.902 29.460 0.127 0.000 1.114 105 W HN 0.278 nan 8.180 nan 0.000 0.596 106 c N 1.885 120.698 118.600 0.355 0.000 2.413 106 c HA -0.211 4.359 4.570 -0.000 0.000 0.276 106 c C 3.062 177.041 174.090 -0.186 0.000 1.236 106 c CA 2.959 59.228 56.329 -0.099 0.000 1.735 106 c CB -1.286 41.060 42.510 -0.273 0.000 2.031 106 c HN 0.513 nan 8.230 nan 0.000 0.474 107 E N -0.727 119.401 120.200 -0.121 0.000 2.028 107 E HA -0.192 4.158 4.350 -0.000 0.000 0.191 107 E C 1.765 178.157 176.600 -0.347 0.000 0.988 107 E CA 1.574 57.860 56.400 -0.190 0.000 0.799 107 E CB -1.113 28.549 29.700 -0.063 0.000 0.755 107 E HN 0.736 nan 8.360 nan 0.000 0.447 108 F N -0.703 118.900 119.950 -0.579 0.000 2.134 108 F HA 0.023 4.550 4.527 -0.000 0.000 0.299 108 F C 2.257 177.561 175.800 -0.827 0.000 1.097 108 F CA 1.603 59.209 58.000 -0.657 0.000 1.264 108 F CB -0.504 38.115 39.000 -0.636 0.000 1.001 108 F HN 0.480 nan 8.300 nan 0.000 0.479 109 W N 1.207 121.815 121.300 -1.154 0.000 2.318 109 W HA -0.277 4.384 4.660 0.000 0.000 0.313 109 W C 2.350 178.438 176.519 -0.719 0.000 1.221 109 W CA 2.938 59.619 57.345 -1.106 0.000 1.266 109 W CB -0.852 28.005 29.460 -1.005 0.000 1.150 109 W HN -0.074 nan 8.180 nan 0.000 0.496 110 T N -0.112 114.014 114.554 -0.713 0.000 2.737 110 T HA -0.207 4.142 4.350 -0.000 0.000 0.265 110 T C 1.894 176.053 174.700 -0.902 0.000 1.038 110 T CA 2.071 63.636 62.100 -0.892 0.000 1.144 110 T CB -0.905 67.532 68.868 -0.718 0.000 0.866 110 T HN 0.127 nan 8.240 nan 0.000 0.434 111 S N 1.366 116.486 115.700 -0.967 0.000 2.382 111 S HA 0.002 4.471 4.470 -0.000 0.000 0.228 111 S C 2.077 175.966 174.600 -1.185 0.000 1.027 111 S CA 0.882 58.316 58.200 -1.277 0.000 0.991 111 S CB -0.479 61.490 63.200 -2.052 0.000 0.823 111 S HN 0.398 nan 8.310 nan 0.000 0.469 112 I N 1.628 121.618 120.570 -0.967 0.000 2.202 112 I HA -0.178 3.991 4.170 -0.000 0.000 0.242 112 I C 2.568 178.444 176.117 -0.402 0.000 1.091 112 I CA 1.281 62.296 61.300 -0.474 0.000 1.368 112 I CB -0.367 37.432 38.000 -0.336 0.000 1.058 112 I HN 0.245 nan 8.210 nan 0.000 0.410 113 D N 1.094 121.136 120.400 -0.596 0.000 2.087 113 D HA -0.168 4.472 4.640 -0.000 0.000 0.192 113 D C 2.234 178.289 176.300 -0.409 0.000 0.993 113 D CA 1.710 55.385 54.000 -0.541 0.000 0.828 113 D CB -0.135 40.165 40.800 -0.834 0.000 0.968 113 D HN 0.091 nan 8.370 nan 0.000 0.448 114 V N 1.138 120.772 119.914 -0.468 0.000 2.324 114 V HA -0.250 3.870 4.120 -0.000 0.000 0.250 114 V C 2.742 178.694 176.094 -0.238 0.000 1.060 114 V CA 1.665 63.767 62.300 -0.330 0.000 1.042 114 V CB -0.697 30.944 31.823 -0.303 0.000 0.650 114 V HN 0.254 nan 8.190 nan 0.000 0.450 115 L N -0.044 121.038 121.223 -0.234 0.000 2.012 115 L HA -0.195 4.144 4.340 -0.000 0.000 0.210 115 L C 2.366 179.110 176.870 -0.211 0.000 1.073 115 L CA 2.289 57.040 54.840 -0.150 0.000 0.748 115 L CB -0.938 41.129 42.059 0.014 0.000 0.891 115 L HN 0.363 nan 8.230 nan 0.000 0.431 116 C N -1.784 117.429 119.300 -0.146 0.000 2.440 116 C HA -0.082 4.378 4.460 -0.000 0.000 0.278 116 C C 2.728 177.648 174.990 -0.116 0.000 1.295 116 C CA 0.812 59.776 59.018 -0.091 0.000 1.738 116 C CB -0.767 26.982 27.740 0.015 0.000 1.987 116 C HN 0.510 nan 8.230 nan 0.000 0.492 117 V N 0.578 120.392 119.914 -0.166 0.000 2.307 117 V HA -0.186 3.934 4.120 -0.000 0.000 0.245 117 V C 2.513 178.527 176.094 -0.133 0.000 1.045 117 V CA 2.508 64.681 62.300 -0.212 0.000 1.024 117 V CB -1.108 30.425 31.823 -0.484 0.000 0.651 117 V HN 0.576 nan 8.190 nan 0.000 0.449 118 T N 0.682 115.157 114.554 -0.131 0.000 2.674 118 T HA -0.186 4.164 4.350 -0.000 0.000 0.265 118 T C 2.046 176.702 174.700 -0.072 0.000 1.039 118 T CA 1.765 63.838 62.100 -0.044 0.000 1.150 118 T CB -0.501 68.351 68.868 -0.027 0.000 0.864 118 T HN 0.552 nan 8.240 nan 0.000 0.427 119 A N 1.133 123.771 122.820 -0.303 0.000 1.972 119 A HA -0.067 4.253 4.320 -0.000 0.000 0.219 119 A C 2.597 179.979 177.584 -0.337 0.000 1.169 119 A CA 1.781 53.492 52.037 -0.543 0.000 0.635 119 A CB -0.784 17.389 19.000 -1.378 0.000 0.810 119 A HN 0.418 nan 8.150 nan 0.000 0.446 120 S N -0.480 115.086 115.700 -0.223 0.000 2.343 120 S HA -0.151 4.319 4.470 -0.000 0.000 0.219 120 S C 1.879 176.266 174.600 -0.355 0.000 1.033 120 S CA 1.513 59.611 58.200 -0.170 0.000 1.014 120 S CB -0.406 62.792 63.200 -0.003 0.000 0.915 120 S HN 0.558 nan 8.310 nan 0.000 0.435 121 I N 0.325 120.638 120.570 -0.428 0.000 2.361 121 I HA -0.085 4.085 4.170 -0.000 0.000 0.251 121 I C 1.650 177.454 176.117 -0.522 0.000 1.133 121 I CA 1.085 62.001 61.300 -0.640 0.000 1.413 121 I CB -0.322 37.339 38.000 -0.565 0.000 1.073 121 I HN 0.370 nan 8.210 nan 0.000 0.424 122 W N 0.321 121.425 121.300 -0.326 0.000 2.409 122 W HA -0.122 4.537 4.660 -0.001 0.000 0.299 122 W C 2.644 179.009 176.519 -0.258 0.000 1.203 122 W CA 1.601 58.787 57.345 -0.266 0.000 1.298 122 W CB -0.842 28.480 29.460 -0.230 0.000 1.127 122 W HN -0.047 nan 8.180 nan 0.000 0.528 123 T N 1.324 115.857 114.554 -0.034 0.000 2.699 123 T HA -0.242 4.108 4.350 -0.000 0.000 0.268 123 T C 1.791 176.378 174.700 -0.189 0.000 1.036 123 T CA 1.585 63.630 62.100 -0.092 0.000 1.147 123 T CB -0.655 68.211 68.868 -0.004 0.000 0.862 123 T HN 0.059 nan 8.240 nan 0.000 0.446 124 L N 0.279 121.345 121.223 -0.261 0.000 2.056 124 L HA -0.070 4.270 4.340 -0.000 0.000 0.207 124 L C 2.965 179.657 176.870 -0.296 0.000 1.078 124 L CA 0.798 55.451 54.840 -0.311 0.000 0.749 124 L CB -0.676 41.107 42.059 -0.461 0.000 0.901 124 L HN 0.388 nan 8.230 nan 0.000 0.433 125 C N -0.711 118.401 119.300 -0.314 0.000 2.425 125 C HA -0.110 4.350 4.460 -0.000 0.000 0.277 125 C C 2.778 177.680 174.990 -0.146 0.000 1.280 125 C CA 0.709 59.573 59.018 -0.256 0.000 1.744 125 C CB -0.414 27.110 27.740 -0.361 0.000 1.989 125 C HN 0.358 nan 8.230 nan 0.000 0.491 126 V N 0.822 120.636 119.914 -0.168 0.000 2.323 126 V HA -0.161 3.959 4.120 -0.000 0.000 0.244 126 V C 2.233 178.132 176.094 -0.324 0.000 1.041 126 V CA 2.298 64.452 62.300 -0.243 0.000 1.025 126 V CB -0.541 31.058 31.823 -0.374 0.000 0.656 126 V HN 0.542 nan 8.190 nan 0.000 0.451 127 I N 0.582 120.931 120.570 -0.370 0.000 2.151 127 I HA -0.336 3.834 4.170 -0.000 0.000 0.243 127 I C 2.699 178.814 176.117 -0.002 0.000 1.080 127 I CA 1.780 62.975 61.300 -0.175 0.000 1.339 127 I CB -0.663 37.285 38.000 -0.088 0.000 1.039 127 I HN 0.310 nan 8.210 nan 0.000 0.409 128 A N 0.225 123.023 122.820 -0.036 0.000 1.892 128 A HA -0.206 4.114 4.320 -0.000 0.000 0.218 128 A C 2.434 180.132 177.584 0.190 0.000 1.188 128 A CA 2.336 54.455 52.037 0.137 0.000 0.631 128 A CB -1.084 17.930 19.000 0.024 0.000 0.822 128 A HN 0.278 nan 8.150 nan 0.000 0.447 129 V N 0.162 120.149 119.914 0.122 0.000 2.323 129 V HA -0.219 3.901 4.120 -0.000 0.000 0.244 129 V C 2.333 178.662 176.094 0.392 0.000 1.041 129 V CA 2.381 64.818 62.300 0.229 0.000 1.025 129 V CB -0.808 31.140 31.823 0.210 0.000 0.656 129 V HN 0.737 nan 8.190 nan 0.000 0.451 130 D N -0.054 120.503 120.400 0.262 0.000 2.149 130 D HA -0.199 4.441 4.640 -0.000 0.000 0.198 130 D C 2.321 178.802 176.300 0.302 0.000 0.990 130 D CA 1.188 55.367 54.000 0.298 0.000 0.839 130 D CB -0.028 40.920 40.800 0.247 0.000 0.948 130 D HN 0.118 nan 8.370 nan 0.000 0.460 131 R N -0.672 119.980 120.500 0.253 0.000 2.148 131 R HA -0.128 4.212 4.340 -0.000 0.000 0.227 131 R C 2.118 178.473 176.300 0.092 0.000 1.103 131 R CA 0.700 56.913 56.100 0.189 0.000 0.983 131 R CB -1.069 29.367 30.300 0.227 0.000 0.874 131 R HN 0.468 nan 8.270 nan 0.000 0.451 132 Y N 0.420 120.712 120.300 -0.013 0.000 2.145 132 Y HA -0.196 4.356 4.550 0.003 0.000 0.286 132 Y C 1.824 177.622 175.900 -0.171 0.000 1.145 132 Y CA 1.518 59.520 58.100 -0.163 0.000 1.148 132 Y CB -0.441 37.861 38.460 -0.263 0.000 0.981 132 Y HN -0.136 nan 8.280 nan 0.000 0.507 133 F N -0.043 119.932 119.950 0.041 0.000 2.234 133 F HA -0.066 4.460 4.527 -0.002 0.000 0.299 133 F C 2.519 178.262 175.800 -0.095 0.000 1.087 133 F CA 1.029 59.004 58.000 -0.042 0.000 1.340 133 F CB -0.844 38.220 39.000 0.107 0.000 1.031 133 F HN 0.183 nan 8.300 nan 0.000 0.500 134 A N 0.052 122.940 122.820 0.114 0.000 1.873 134 A HA -0.144 4.176 4.320 -0.000 0.000 0.215 134 A C 2.185 179.722 177.584 -0.079 0.000 1.186 134 A CA 1.419 53.489 52.037 0.056 0.000 0.616 134 A CB -1.017 18.045 19.000 0.105 0.000 0.823 134 A HN 0.391 nan 8.150 nan 0.000 0.442 135 I N 0.332 120.804 120.570 -0.164 0.000 2.676 135 I HA -0.164 4.006 4.170 -0.000 0.000 0.259 135 I C 2.311 178.239 176.117 -0.315 0.000 1.194 135 I CA 1.823 62.960 61.300 -0.272 0.000 1.473 135 I CB 0.127 37.985 38.000 -0.236 0.000 1.096 135 I HN 0.528 nan 8.210 nan 0.000 0.443 136 T N -2.528 111.808 114.554 -0.363 0.000 3.051 136 T HA 0.099 4.449 4.350 -0.000 0.000 0.255 136 T C 1.030 175.613 174.700 -0.193 0.000 1.085 136 T CA 0.294 62.187 62.100 -0.344 0.000 1.109 136 T CB -0.491 68.050 68.868 -0.545 0.000 0.921 136 T HN 0.367 nan 8.240 nan 0.000 0.488 137 S N 2.074 117.702 115.700 -0.120 0.000 2.580 137 S HA 0.316 4.786 4.470 -0.000 0.000 0.274 137 S C -1.756 172.802 174.600 -0.069 0.000 1.329 137 S CA -1.133 57.050 58.200 -0.029 0.000 1.036 137 S CB 1.206 64.453 63.200 0.077 0.000 0.919 137 S HN -0.063 nan 8.310 nan 0.000 0.515 138 P HA -0.097 nan 4.420 nan 0.000 0.218 138 P C 0.000 177.124 177.300 -0.294 0.000 1.146 138 P CA 1.157 64.136 63.100 -0.201 0.000 0.820 138 P CB -0.140 31.421 31.700 -0.232 0.000 0.778 139 F N 0.502 120.402 119.950 -0.083 0.000 2.659 139 F HA 0.123 4.648 4.527 -0.003 0.000 0.360 139 F C 1.229 176.960 175.800 -0.116 0.000 1.218 139 F CA -0.484 57.472 58.000 -0.074 0.000 1.317 139 F CB -0.850 38.127 39.000 -0.038 0.000 1.697 139 F HN -0.261 nan 8.300 nan 0.000 0.637 140 K N 1.472 121.800 120.400 -0.120 0.000 2.491 140 K HA -0.094 4.226 4.320 -0.000 0.000 0.279 140 K C -0.202 176.222 176.600 -0.294 0.000 1.026 140 K CA 0.647 56.693 56.287 -0.402 0.000 1.070 140 K CB 0.132 32.246 32.500 -0.645 0.000 0.887 140 K HN 0.524 nan 8.250 nan 0.000 0.481 141 Y N -0.904 119.432 120.300 0.060 0.000 4.866 141 Y HA -0.295 4.251 4.550 -0.006 0.000 0.282 141 Y C -0.357 175.587 175.900 0.075 0.000 0.899 141 Y CA 0.571 58.712 58.100 0.068 0.000 1.720 141 Y CB -1.771 36.733 38.460 0.073 0.000 1.107 141 Y HN 0.655 nan 8.280 nan 0.000 0.460 142 Q N 0.312 120.221 119.800 0.182 0.000 2.316 142 Q HA 0.593 4.933 4.340 -0.000 0.000 0.264 142 Q C 0.175 176.225 176.000 0.083 0.000 0.987 142 Q CA -0.321 55.551 55.803 0.116 0.000 0.852 142 Q CB 2.020 30.805 28.738 0.077 0.000 1.287 142 Q HN 0.224 nan 8.270 nan 0.000 0.448 143 S N 2.115 117.855 115.700 0.066 0.000 2.568 143 S HA 0.075 4.545 4.470 -0.000 0.000 0.282 143 S C 0.918 175.529 174.600 0.018 0.000 1.338 143 S CA -0.253 57.992 58.200 0.074 0.000 1.045 143 S CB 0.362 63.612 63.200 0.084 0.000 0.873 143 S HN 0.689 nan 8.310 nan 0.000 0.516 144 L N 3.405 124.652 121.223 0.040 0.000 2.395 144 L HA 0.152 4.492 4.340 -0.000 0.000 0.218 144 L C 0.587 177.437 176.870 -0.033 0.000 1.130 144 L CA 0.293 55.129 54.840 -0.006 0.000 0.826 144 L CB -0.498 41.566 42.059 0.009 0.000 0.941 144 L HN 0.518 nan 8.230 nan 0.000 0.451 145 L N 0.127 121.346 121.223 -0.007 0.000 2.418 145 L HA 0.186 4.526 4.340 -0.000 0.000 0.265 145 L C 0.852 177.689 176.870 -0.056 0.000 1.143 145 L CA -0.304 54.528 54.840 -0.013 0.000 0.809 145 L CB 1.120 43.210 42.059 0.052 0.000 1.124 145 L HN 0.109 nan 8.230 nan 0.000 0.456 146 T N -1.562 112.955 114.554 -0.062 0.000 2.902 146 T HA 0.361 4.711 4.350 -0.000 0.000 0.280 146 T C 1.076 175.710 174.700 -0.110 0.000 0.992 146 T CA -0.194 61.852 62.100 -0.090 0.000 1.015 146 T CB 1.498 70.325 68.868 -0.068 0.000 1.044 146 T HN 0.643 nan 8.240 nan 0.000 0.520 147 K N 1.341 121.648 120.400 -0.155 0.000 2.044 147 K HA -0.188 4.132 4.320 -0.000 0.000 0.210 147 K C 2.112 178.709 176.600 -0.004 0.000 1.049 147 K CA 2.112 58.287 56.287 -0.187 0.000 0.927 147 K CB -1.617 30.760 32.500 -0.205 0.000 0.713 147 K HN 0.703 nan 8.250 nan 0.000 0.443 148 N N 0.188 118.890 118.700 0.003 0.000 2.069 148 N HA -0.122 4.618 4.740 -0.000 0.000 0.191 148 N C 1.924 177.451 175.510 0.027 0.000 1.031 148 N CA 1.635 54.700 53.050 0.026 0.000 0.852 148 N CB -0.205 38.286 38.487 0.008 0.000 1.018 148 N HN 0.585 nan 8.380 nan 0.000 0.423 149 K N 0.565 120.971 120.400 0.010 0.000 2.074 149 K HA -0.092 4.228 4.320 -0.000 0.000 0.209 149 K C 1.978 178.617 176.600 0.065 0.000 1.048 149 K CA 1.411 57.714 56.287 0.027 0.000 0.926 149 K CB -0.151 32.356 32.500 0.012 0.000 0.713 149 K HN 0.163 nan 8.250 nan 0.000 0.444 150 A N 1.268 124.109 122.820 0.035 0.000 1.933 150 A HA -0.165 4.155 4.320 -0.000 0.000 0.218 150 A C 1.976 179.611 177.584 0.085 0.000 1.175 150 A CA 1.249 53.295 52.037 0.015 0.000 0.628 150 A CB -0.353 18.479 19.000 -0.280 0.000 0.814 150 A HN 0.235 nan 8.150 nan 0.000 0.444 151 R N -0.733 119.824 120.500 0.095 0.000 2.096 151 R HA -0.085 4.255 4.340 -0.000 0.000 0.235 151 R C 2.004 178.356 176.300 0.086 0.000 1.127 151 R CA 1.432 57.579 56.100 0.078 0.000 0.968 151 R CB -0.518 29.813 30.300 0.052 0.000 0.861 151 R HN 0.407 nan 8.270 nan 0.000 0.440 152 V N 1.381 121.346 119.914 0.085 0.000 2.283 152 V HA -0.224 3.896 4.120 -0.000 0.000 0.243 152 V C 2.313 178.475 176.094 0.113 0.000 1.039 152 V CA 1.441 63.788 62.300 0.078 0.000 1.016 152 V CB -0.355 31.500 31.823 0.053 0.000 0.650 152 V HN 0.212 nan 8.190 nan 0.000 0.449 153 I N 0.053 120.716 120.570 0.155 0.000 2.145 153 I HA -0.298 3.871 4.170 -0.000 0.000 0.244 153 I C 2.378 178.627 176.117 0.221 0.000 1.075 153 I CA 2.084 63.496 61.300 0.186 0.000 1.332 153 I CB -1.153 37.012 38.000 0.275 0.000 1.033 153 I HN 0.275 nan 8.210 nan 0.000 0.410 154 I N -0.028 120.723 120.570 0.303 0.000 2.179 154 I HA -0.306 3.863 4.170 -0.000 0.000 0.242 154 I C 2.558 178.881 176.117 0.343 0.000 1.088 154 I CA 1.111 62.627 61.300 0.360 0.000 1.357 154 I CB -0.351 37.853 38.000 0.341 0.000 1.051 154 I HN 0.154 nan 8.210 nan 0.000 0.409 155 L N -0.221 121.126 121.223 0.207 0.000 2.083 155 L HA -0.208 4.132 4.340 -0.000 0.000 0.209 155 L C 2.412 179.371 176.870 0.148 0.000 1.083 155 L CA 1.786 56.719 54.840 0.155 0.000 0.752 155 L CB -0.422 41.682 42.059 0.074 0.000 0.899 155 L HN 0.179 nan 8.230 nan 0.000 0.433 156 M N -1.821 117.842 119.600 0.105 0.000 2.099 156 M HA -0.131 4.349 4.480 -0.000 0.000 0.262 156 M C 2.333 178.642 176.300 0.014 0.000 1.067 156 M CA 1.310 56.637 55.300 0.044 0.000 1.124 156 M CB -1.163 31.445 32.600 0.015 0.000 1.353 156 M HN 0.056 nan 8.290 nan 0.000 0.410 157 V N -1.039 118.892 119.914 0.029 0.000 2.252 157 V HA -0.295 3.825 4.120 -0.000 0.000 0.249 157 V C 2.103 178.137 176.094 -0.100 0.000 1.056 157 V CA 1.995 64.248 62.300 -0.079 0.000 1.022 157 V CB -0.784 31.017 31.823 -0.037 0.000 0.641 157 V HN 0.472 nan 8.190 nan 0.000 0.445 158 W N -0.442 120.847 121.300 -0.019 0.000 2.381 158 W HA -0.067 4.592 4.660 -0.001 0.000 0.301 158 W C 2.320 178.817 176.519 -0.037 0.000 1.205 158 W CA 1.175 58.511 57.345 -0.016 0.000 1.285 158 W CB -0.413 29.045 29.460 -0.002 0.000 1.133 158 W HN 0.149 nan 8.180 nan 0.000 0.521 159 I N -0.671 120.001 120.570 0.170 0.000 2.142 159 I HA -0.327 3.843 4.170 -0.000 0.000 0.240 159 I C 2.135 178.258 176.117 0.010 0.000 1.078 159 I CA 1.247 62.589 61.300 0.071 0.000 1.343 159 I CB -0.914 37.112 38.000 0.043 0.000 1.046 159 I HN -0.229 nan 8.210 nan 0.000 0.405 160 V N 0.089 119.978 119.914 -0.041 0.000 2.295 160 V HA -0.270 3.849 4.120 -0.000 0.000 0.246 160 V C 2.486 178.513 176.094 -0.111 0.000 1.049 160 V CA 2.204 64.445 62.300 -0.097 0.000 1.024 160 V CB -0.624 31.091 31.823 -0.180 0.000 0.648 160 V HN 0.391 nan 8.190 nan 0.000 0.447 161 S N 0.784 116.392 115.700 -0.154 0.000 2.383 161 S HA -0.158 4.312 4.470 -0.000 0.000 0.229 161 S C 2.075 176.657 174.600 -0.030 0.000 1.030 161 S CA 1.391 59.504 58.200 -0.144 0.000 1.002 161 S CB -0.770 62.276 63.200 -0.257 0.000 0.829 161 S HN 0.699 nan 8.310 nan 0.000 0.467 162 G N 1.454 110.270 108.800 0.026 0.000 2.432 162 G HA2 -0.102 3.858 3.960 -0.000 0.000 0.219 162 G HA3 -0.102 3.858 3.960 -0.000 0.000 0.219 162 G C 1.247 176.205 174.900 0.097 0.000 1.135 162 G CA 0.553 45.712 45.100 0.099 0.000 0.767 162 G HN 0.298 nan 8.290 nan 0.000 0.550 163 L N 1.485 122.735 121.223 0.044 0.000 1.973 163 L HA -0.016 4.324 4.340 -0.000 0.000 0.208 163 L C 3.357 180.273 176.870 0.078 0.000 1.073 163 L CA 2.313 57.184 54.840 0.052 0.000 0.746 163 L CB -1.497 40.582 42.059 0.032 0.000 0.891 163 L HN 0.406 nan 8.230 nan 0.000 0.433 164 T N -4.253 110.337 114.554 0.060 0.000 2.822 164 T HA -0.157 4.193 4.350 -0.000 0.000 0.270 164 T C 1.906 176.663 174.700 0.096 0.000 1.064 164 T CA 1.693 63.846 62.100 0.088 0.000 1.131 164 T CB -0.441 68.456 68.868 0.047 0.000 0.858 164 T HN 0.208 nan 8.240 nan 0.000 0.483 165 S N 0.469 116.206 115.700 0.062 0.000 2.371 165 S HA 0.281 4.751 4.470 -0.000 0.000 0.219 165 S C 1.472 176.008 174.600 -0.106 0.000 1.040 165 S CA 0.264 58.453 58.200 -0.019 0.000 0.958 165 S CB -0.390 62.765 63.200 -0.076 0.000 0.860 165 S HN 0.450 nan 8.310 nan 0.000 0.487 166 F N 1.341 121.203 119.950 -0.147 0.000 2.128 166 F HA 0.102 4.629 4.527 -0.000 0.000 0.295 166 F C 2.030 177.711 175.800 -0.200 0.000 1.100 166 F CA 0.413 58.296 58.000 -0.196 0.000 1.260 166 F CB -0.558 38.334 39.000 -0.180 0.000 1.009 166 F HN 0.103 nan 8.300 nan 0.000 0.476 167 L N 0.765 121.994 121.223 0.011 0.000 1.970 167 L HA -0.133 4.207 4.340 -0.000 0.000 0.212 167 L C -0.699 175.876 176.870 -0.491 0.000 1.071 167 L CA 2.257 56.983 54.840 -0.190 0.000 0.751 167 L CB -1.837 40.157 42.059 -0.109 0.000 0.889 167 L HN -0.081 nan 8.230 nan 0.000 0.432 168 P HA -0.119 nan 4.420 nan 0.000 0.223 168 P C 1.655 178.807 177.300 -0.247 0.000 1.144 168 P CA 1.461 64.407 63.100 -0.257 0.000 0.783 168 P CB 0.032 31.928 31.700 0.327 0.000 0.771 169 I N -1.694 118.714 120.570 -0.271 0.000 2.810 169 I HA -0.092 4.078 4.170 -0.000 0.000 0.262 169 I C 2.174 178.135 176.117 -0.260 0.000 1.131 169 I CA 0.615 61.735 61.300 -0.300 0.000 1.453 169 I CB -0.396 37.318 38.000 -0.476 0.000 1.161 169 I HN -0.166 nan 8.210 nan 0.000 0.444 170 Q N 0.457 120.080 119.800 -0.296 0.000 2.167 170 Q HA -0.029 4.311 4.340 -0.000 0.000 0.202 170 Q C 1.986 177.674 176.000 -0.521 0.000 0.970 170 Q CA 1.174 56.795 55.803 -0.303 0.000 0.855 170 Q CB -0.177 28.488 28.738 -0.123 0.000 0.911 170 Q HN 0.443 nan 8.270 nan 0.000 0.438 171 M N -0.494 118.741 119.600 -0.608 0.000 2.618 171 M HA 0.013 4.493 4.480 -0.000 0.000 0.240 171 M C -0.214 175.810 176.300 -0.460 0.000 1.123 171 M CA 0.550 55.437 55.300 -0.688 0.000 1.060 171 M CB -0.734 31.040 32.600 -1.376 0.000 1.535 171 M HN 0.401 nan 8.290 nan 0.000 0.507 172 H N -3.565 115.396 119.070 -0.181 0.000 3.179 172 H HA -0.220 4.336 4.556 -0.000 0.000 0.250 172 H C 0.440 175.708 175.328 -0.100 0.000 1.142 172 H CA 0.627 56.606 56.048 -0.115 0.000 1.165 172 H CB -1.611 28.050 29.762 -0.170 0.000 1.253 172 H HN 0.482 nan 8.280 nan 0.000 0.325 173 W N 0.391 121.717 121.300 0.043 0.000 2.468 173 W HA -0.139 4.521 4.660 -0.000 0.000 0.262 173 W C 2.090 178.549 176.519 -0.100 0.000 1.241 173 W CA 1.433 58.776 57.345 -0.004 0.000 1.232 173 W CB -1.228 28.276 29.460 0.072 0.000 1.124 173 W HN 0.604 nan 8.180 nan 0.000 0.597 174 Y N 0.319 120.525 120.300 -0.156 0.000 2.457 174 Y HA 0.237 4.787 4.550 -0.000 0.000 0.292 174 Y C 1.193 176.965 175.900 -0.212 0.000 1.125 174 Y CA -0.196 57.575 58.100 -0.548 0.000 1.254 174 Y CB -0.921 36.992 38.460 -0.912 0.000 1.012 174 Y HN -0.317 nan 8.280 nan 0.000 0.555 175 R N 1.991 122.009 120.500 -0.804 0.000 2.491 175 R HA 0.412 4.752 4.340 -0.000 0.000 0.283 175 R C 0.177 176.390 176.300 -0.145 0.000 1.072 175 R CA 0.172 55.877 56.100 -0.657 0.000 1.048 175 R CB 0.663 30.453 30.300 -0.849 0.000 0.983 175 R HN 0.419 nan 8.270 nan 0.000 0.450 176 A N 1.386 124.225 122.820 0.032 0.000 2.313 176 A HA 0.173 4.493 4.320 -0.000 0.000 0.261 176 A C 0.978 178.540 177.584 -0.037 0.000 1.090 176 A CA -0.196 51.861 52.037 0.034 0.000 0.807 176 A CB 0.443 19.472 19.000 0.049 0.000 1.055 176 A HN 0.854 nan 8.150 nan 0.000 0.492 177 T N -1.861 112.673 114.554 -0.034 0.000 3.040 177 T HA 0.166 4.516 4.350 -0.000 0.000 0.266 177 T C 0.580 175.226 174.700 -0.090 0.000 1.005 177 T CA 0.355 62.421 62.100 -0.057 0.000 0.906 177 T CB -0.602 68.259 68.868 -0.011 0.000 1.082 177 T HN 0.854 nan 8.240 nan 0.000 0.531 178 H N 0.620 119.625 119.070 -0.109 0.000 2.679 178 H HA 0.379 4.935 4.556 -0.000 0.000 0.369 178 H C 1.165 176.376 175.328 -0.196 0.000 1.178 178 H CA -0.474 55.493 56.048 -0.135 0.000 1.419 178 H CB 1.091 30.773 29.762 -0.134 0.000 1.458 178 H HN -0.030 nan 8.280 nan 0.000 0.605 179 Q N 0.880 120.633 119.800 -0.078 0.000 2.030 179 Q HA -0.200 4.139 4.340 -0.000 0.000 0.204 179 Q C 2.255 178.101 176.000 -0.255 0.000 0.986 179 Q CA 2.205 57.921 55.803 -0.146 0.000 0.843 179 Q CB -0.325 28.373 28.738 -0.066 0.000 0.904 179 Q HN 0.875 nan 8.270 nan 0.000 0.420 180 E N -1.243 118.839 120.200 -0.196 0.000 2.171 180 E HA -0.262 4.087 4.350 -0.000 0.000 0.197 180 E C 1.538 177.685 176.600 -0.755 0.000 0.997 180 E CA 1.141 57.353 56.400 -0.314 0.000 0.810 180 E CB -0.161 29.449 29.700 -0.151 0.000 0.738 180 E HN 0.457 nan 8.360 nan 0.000 0.467 181 A N 0.707 122.825 122.820 -1.171 0.000 1.855 181 A HA -0.050 4.270 4.320 -0.000 0.000 0.213 181 A C 2.105 178.969 177.584 -1.201 0.000 1.195 181 A CA 0.847 51.992 52.037 -1.486 0.000 0.610 181 A CB -0.462 17.611 19.000 -1.544 0.000 0.837 181 A HN 0.272 nan 8.150 nan 0.000 0.444 182 I N 0.586 120.704 120.570 -0.753 0.000 2.423 182 I HA -0.269 3.901 4.170 -0.000 0.000 0.254 182 I C 1.902 177.857 176.117 -0.270 0.000 1.151 182 I CA 1.051 62.123 61.300 -0.379 0.000 1.421 182 I CB -0.511 37.391 38.000 -0.163 0.000 1.079 182 I HN 0.291 nan 8.210 nan 0.000 0.431 183 N N 0.311 118.834 118.700 -0.295 0.000 2.142 183 N HA -0.173 4.567 4.740 -0.000 0.000 0.186 183 N C 1.904 177.343 175.510 -0.118 0.000 1.023 183 N CA 1.214 54.168 53.050 -0.159 0.000 0.852 183 N CB -0.749 37.657 38.487 -0.135 0.000 0.998 183 N HN 0.363 nan 8.380 nan 0.000 0.424 184 c N 0.384 118.857 118.600 -0.211 0.000 2.432 184 c HA -0.065 4.505 4.570 -0.000 0.000 0.280 184 c C 2.158 176.283 174.090 0.057 0.000 1.353 184 c CA 0.302 56.606 56.329 -0.042 0.000 1.766 184 c CB -1.329 41.233 42.510 0.087 0.000 1.924 184 c HN 0.349 nan 8.230 nan 0.000 0.509 185 Y N 1.256 121.579 120.300 0.039 0.000 2.153 185 Y HA 0.108 4.658 4.550 -0.000 0.000 0.289 185 Y C 2.722 178.641 175.900 0.031 0.000 1.127 185 Y CA 1.091 59.210 58.100 0.032 0.000 1.131 185 Y CB -1.613 36.822 38.460 -0.040 0.000 0.995 185 Y HN 0.292 nan 8.280 nan 0.000 0.505 186 A N -0.214 122.701 122.820 0.159 0.000 2.067 186 A HA -0.120 4.200 4.320 -0.000 0.000 0.219 186 A C 0.888 178.532 177.584 0.100 0.000 1.158 186 A CA 0.902 53.001 52.037 0.102 0.000 0.661 186 A CB -0.582 18.453 19.000 0.057 0.000 0.801 186 A HN 0.228 nan 8.150 nan 0.000 0.452 187 E N 0.622 120.885 120.200 0.104 0.000 2.089 187 E HA 0.227 4.577 4.350 -0.000 0.000 0.284 187 E C 0.641 177.331 176.600 0.151 0.000 1.023 187 E CA -0.196 56.270 56.400 0.111 0.000 0.819 187 E CB 0.327 30.084 29.700 0.095 0.000 1.076 187 E HN 0.406 nan 8.360 nan 0.000 0.396 188 E N 1.923 122.218 120.200 0.158 0.000 2.209 188 E HA -0.157 4.193 4.350 -0.000 0.000 0.196 188 E C 0.915 177.678 176.600 0.271 0.000 0.993 188 E CA 1.666 58.190 56.400 0.207 0.000 0.819 188 E CB 0.198 30.008 29.700 0.183 0.000 0.745 188 E HN 0.676 nan 8.360 nan 0.000 0.477 189 T N -2.467 112.220 114.554 0.223 0.000 3.107 189 T HA 0.067 4.417 4.350 -0.000 0.000 0.249 189 T C 0.702 175.576 174.700 0.290 0.000 1.096 189 T CA -0.336 61.920 62.100 0.259 0.000 1.012 189 T CB -0.172 68.796 68.868 0.165 0.000 0.977 189 T HN -0.005 nan 8.240 nan 0.000 0.527 190 c N 0.886 119.620 118.600 0.225 0.000 2.329 190 c HA 0.756 5.325 4.570 -0.000 0.000 0.329 190 c C 0.600 174.743 174.090 0.090 0.000 1.275 190 c CA -0.929 55.519 56.329 0.198 0.000 1.726 190 c CB 0.151 42.769 42.510 0.179 0.000 2.291 190 c HN 0.655 nan 8.230 nan 0.000 0.514 191 c N 6.431 125.031 118.600 -0.000 0.000 3.158 191 c HA 0.356 4.926 4.570 -0.000 0.000 0.228 191 c C -0.269 173.824 174.090 0.005 0.000 2.110 191 c CA -0.530 55.655 56.329 -0.240 0.000 1.407 191 c CB -1.545 40.275 42.510 -1.151 0.000 2.635 191 c HN 0.919 nan 8.230 nan 0.000 0.509 192 D N 1.144 121.620 120.400 0.128 0.000 2.350 192 D HA 0.113 4.753 4.640 -0.000 0.000 0.249 192 D C -0.202 176.099 176.300 0.002 0.000 1.119 192 D CA 0.094 54.099 54.000 0.009 0.000 0.886 192 D CB 0.818 41.429 40.800 -0.315 0.000 1.195 192 D HN 0.399 nan 8.370 nan 0.000 0.437 193 F N 3.570 123.442 119.950 -0.131 0.000 2.619 193 F HA 0.181 4.708 4.527 -0.000 0.000 0.350 193 F C -0.747 175.011 175.800 -0.071 0.000 1.259 193 F CA -0.877 57.113 58.000 -0.016 0.000 1.204 193 F CB -0.813 38.228 39.000 0.069 0.000 1.556 193 F HN 0.088 nan 8.300 nan 0.000 0.650 194 F N 2.500 122.467 119.950 0.028 0.000 2.424 194 F HA 0.380 4.907 4.527 -0.000 0.000 0.356 194 F C 0.818 176.565 175.800 -0.088 0.000 1.110 194 F CA -0.379 57.597 58.000 -0.039 0.000 1.161 194 F CB 0.926 39.906 39.000 -0.033 0.000 1.115 194 F HN 0.332 nan 8.300 nan 0.000 0.507 195 T N 0.300 114.880 114.554 0.043 0.000 2.907 195 T HA 0.567 4.917 4.350 -0.000 0.000 0.290 195 T C -0.548 174.246 174.700 0.156 0.000 1.066 195 T CA -1.212 60.921 62.100 0.055 0.000 1.012 195 T CB 1.435 70.320 68.868 0.029 0.000 1.184 195 T HN 0.516 nan 8.240 nan 0.000 0.522 196 N N 0.793 119.582 118.700 0.149 0.000 2.513 196 N HA 0.226 4.966 4.740 -0.000 0.000 0.274 196 N C 1.092 176.712 175.510 0.184 0.000 1.189 196 N CA -0.802 52.340 53.050 0.153 0.000 0.975 196 N CB 0.534 39.088 38.487 0.112 0.000 1.157 196 N HN 0.764 nan 8.380 nan 0.000 0.465 197 Q N 0.482 120.360 119.800 0.131 0.000 2.181 197 Q HA -0.196 4.144 4.340 -0.000 0.000 0.205 197 Q C 1.687 177.757 176.000 0.116 0.000 0.980 197 Q CA 1.614 57.481 55.803 0.108 0.000 0.862 197 Q CB -0.341 28.431 28.738 0.056 0.000 0.905 197 Q HN 0.810 nan 8.270 nan 0.000 0.429 198 A N 0.979 123.875 122.820 0.126 0.000 1.855 198 A HA -0.211 4.109 4.320 -0.000 0.000 0.215 198 A C 1.994 179.679 177.584 0.168 0.000 1.191 198 A CA 1.350 53.459 52.037 0.120 0.000 0.613 198 A CB -0.958 18.105 19.000 0.104 0.000 0.829 198 A HN 0.507 nan 8.150 nan 0.000 0.442 199 Y N 0.773 121.142 120.300 0.115 0.000 2.145 199 Y HA -0.097 4.453 4.550 -0.000 0.000 0.286 199 Y C 2.595 178.594 175.900 0.165 0.000 1.145 199 Y CA 1.377 59.573 58.100 0.160 0.000 1.148 199 Y CB -0.570 38.014 38.460 0.207 0.000 0.981 199 Y HN 0.323 nan 8.280 nan 0.000 0.507 200 A N 0.891 123.820 122.820 0.182 0.000 1.884 200 A HA -0.269 4.051 4.320 -0.000 0.000 0.219 200 A C 2.289 179.900 177.584 0.045 0.000 1.197 200 A CA 2.542 54.635 52.037 0.095 0.000 0.637 200 A CB -1.308 17.785 19.000 0.156 0.000 0.827 200 A HN 0.624 nan 8.150 nan 0.000 0.450 201 I N -0.612 119.995 120.570 0.062 0.000 2.163 201 I HA -0.250 3.920 4.170 -0.000 0.000 0.240 201 I C 3.018 179.163 176.117 0.046 0.000 1.081 201 I CA 1.096 62.434 61.300 0.062 0.000 1.353 201 I CB -0.424 37.603 38.000 0.046 0.000 1.054 201 I HN 0.366 nan 8.210 nan 0.000 0.407 202 A N -0.334 122.495 122.820 0.015 0.000 1.883 202 A HA -0.254 4.066 4.320 -0.000 0.000 0.217 202 A C 2.499 180.073 177.584 -0.016 0.000 1.186 202 A CA 2.379 54.425 52.037 0.016 0.000 0.624 202 A CB -0.943 18.083 19.000 0.045 0.000 0.822 202 A HN 0.384 nan 8.150 nan 0.000 0.444 203 S N -0.591 114.996 115.700 -0.188 0.000 2.368 203 S HA -0.117 4.353 4.470 -0.000 0.000 0.225 203 S C 2.287 176.908 174.600 0.035 0.000 1.030 203 S CA 1.789 59.872 58.200 -0.194 0.000 0.999 203 S CB -0.375 62.441 63.200 -0.641 0.000 0.844 203 S HN 0.599 nan 8.310 nan 0.000 0.459 204 S N 1.280 117.053 115.700 0.123 0.000 2.368 204 S HA 0.026 4.496 4.470 -0.000 0.000 0.225 204 S C 1.764 176.584 174.600 0.366 0.000 1.030 204 S CA 1.288 59.684 58.200 0.328 0.000 0.999 204 S CB -0.391 63.095 63.200 0.476 0.000 0.844 204 S HN 0.490 nan 8.310 nan 0.000 0.459 205 I N 1.123 121.881 120.570 0.313 0.000 2.133 205 I HA -0.136 4.034 4.170 -0.000 0.000 0.238 205 I C 2.149 178.386 176.117 0.201 0.000 1.074 205 I CA 1.132 62.605 61.300 0.288 0.000 1.342 205 I CB -0.496 37.584 38.000 0.133 0.000 1.053 205 I HN 0.158 nan 8.210 nan 0.000 0.404 206 V N 0.069 120.083 119.914 0.167 0.000 2.515 206 V HA -0.191 3.929 4.120 -0.000 0.000 0.250 206 V C 2.372 178.641 176.094 0.291 0.000 1.058 206 V CA 1.851 64.276 62.300 0.208 0.000 1.064 206 V CB -0.392 31.523 31.823 0.153 0.000 0.675 206 V HN 0.351 nan 8.190 nan 0.000 0.461 207 S N -1.095 114.721 115.700 0.194 0.000 2.406 207 S HA 0.064 4.534 4.470 -0.000 0.000 0.224 207 S C 1.553 176.159 174.600 0.010 0.000 1.030 207 S CA 1.214 59.526 58.200 0.185 0.000 0.958 207 S CB -0.067 63.206 63.200 0.121 0.000 0.811 207 S HN 0.596 nan 8.310 nan 0.000 0.489 208 F N -0.179 119.558 119.950 -0.356 0.000 2.532 208 F HA 0.320 4.847 4.527 0.000 0.000 0.276 208 F C 1.569 177.013 175.800 -0.592 0.000 0.911 208 F CA -0.134 57.431 58.000 -0.725 0.000 1.196 208 F CB -0.308 37.761 39.000 -1.551 0.000 1.087 208 F HN -0.005 nan 8.300 nan 0.000 0.775 209 Y N 0.423 120.580 120.300 -0.240 0.000 2.145 209 Y HA -0.178 4.372 4.550 -0.000 0.000 0.286 209 Y C 2.527 178.232 175.900 -0.326 0.000 1.145 209 Y CA 1.996 59.940 58.100 -0.261 0.000 1.148 209 Y CB -1.147 37.285 38.460 -0.048 0.000 0.981 209 Y HN -0.083 nan 8.280 nan 0.000 0.507 210 V N 1.342 121.191 119.914 -0.109 0.000 2.261 210 V HA -0.229 3.891 4.120 -0.000 0.000 0.246 210 V C -0.346 175.473 176.094 -0.459 0.000 1.047 210 V CA 2.395 64.591 62.300 -0.174 0.000 1.015 210 V CB -1.725 30.098 31.823 0.000 0.000 0.642 210 V HN 0.303 nan 8.190 nan 0.000 0.446 211 P HA -0.123 nan 4.420 nan 0.000 0.221 211 P C 1.919 178.771 177.300 -0.747 0.000 1.150 211 P CA 1.166 63.559 63.100 -1.178 0.000 0.800 211 P CB 0.047 30.535 31.700 -2.021 0.000 0.787 212 L N 0.383 121.169 121.223 -0.728 0.000 1.994 212 L HA -0.122 4.218 4.340 -0.000 0.000 0.208 212 L C 2.414 179.084 176.870 -0.334 0.000 1.071 212 L CA 1.849 56.323 54.840 -0.610 0.000 0.745 212 L CB -1.202 40.330 42.059 -0.878 0.000 0.892 212 L HN -0.245 nan 8.230 nan 0.000 0.431 213 V N -0.293 119.473 119.914 -0.247 0.000 2.515 213 V HA -0.271 3.849 4.120 -0.000 0.000 0.250 213 V C 2.454 178.498 176.094 -0.082 0.000 1.058 213 V CA 2.005 64.239 62.300 -0.111 0.000 1.064 213 V CB -0.595 31.186 31.823 -0.070 0.000 0.675 213 V HN 0.426 nan 8.190 nan 0.000 0.461 214 I N -0.628 119.851 120.570 -0.151 0.000 2.252 214 I HA -0.278 3.892 4.170 -0.000 0.000 0.245 214 I C 2.489 178.583 176.117 -0.040 0.000 1.102 214 I CA 1.861 63.106 61.300 -0.093 0.000 1.385 214 I CB -0.271 37.642 38.000 -0.144 0.000 1.064 214 I HN 0.282 nan 8.210 nan 0.000 0.414 215 M N 0.308 119.824 119.600 -0.139 0.000 2.117 215 M HA -0.193 4.287 4.480 -0.000 0.000 0.262 215 M C 2.262 178.550 176.300 -0.021 0.000 1.065 215 M CA 1.847 57.077 55.300 -0.117 0.000 1.114 215 M CB 0.026 32.480 32.600 -0.243 0.000 1.361 215 M HN 0.054 nan 8.290 nan 0.000 0.408 216 V N 0.217 120.124 119.914 -0.011 0.000 2.427 216 V HA -0.265 3.855 4.120 -0.000 0.000 0.248 216 V C 2.132 178.288 176.094 0.104 0.000 1.051 216 V CA 1.893 64.227 62.300 0.057 0.000 1.048 216 V CB -1.006 30.848 31.823 0.052 0.000 0.666 216 V HN 0.561 nan 8.190 nan 0.000 0.456 217 F N 0.344 120.277 119.950 -0.029 0.000 2.163 217 F HA -0.098 4.430 4.527 0.000 0.000 0.297 217 F C 2.184 177.958 175.800 -0.044 0.000 1.094 217 F CA 1.540 59.521 58.000 -0.031 0.000 1.290 217 F CB -0.098 38.868 39.000 -0.056 0.000 1.017 217 F HN -0.075 nan 8.300 nan 0.000 0.483 218 V N -0.724 119.232 119.914 0.071 0.000 2.379 218 V HA -0.273 3.847 4.120 -0.000 0.000 0.245 218 V C 1.940 177.978 176.094 -0.093 0.000 1.044 218 V CA 1.872 64.135 62.300 -0.061 0.000 1.036 218 V CB -0.844 30.973 31.823 -0.010 0.000 0.664 218 V HN 0.433 nan 8.190 nan 0.000 0.453 219 Y N 1.325 121.530 120.300 -0.158 0.000 2.314 219 Y HA -0.171 4.379 4.550 -0.000 0.000 0.293 219 Y C 2.834 178.581 175.900 -0.255 0.000 1.129 219 Y CA 1.374 59.332 58.100 -0.236 0.000 1.201 219 Y CB -0.188 38.124 38.460 -0.246 0.000 0.999 219 Y HN 0.401 nan 8.280 nan 0.000 0.541 220 S N -0.126 115.557 115.700 -0.028 0.000 2.419 220 S HA -0.195 4.274 4.470 -0.000 0.000 0.233 220 S C 2.183 176.732 174.600 -0.084 0.000 1.016 220 S CA 1.133 59.363 58.200 0.049 0.000 0.974 220 S CB -0.728 62.501 63.200 0.048 0.000 0.786 220 S HN 0.463 nan 8.310 nan 0.000 0.492 221 R N 1.018 121.379 120.500 -0.232 0.000 2.153 221 R HA 0.365 4.705 4.340 -0.000 0.000 0.218 221 R C 2.378 178.589 176.300 -0.149 0.000 1.072 221 R CA 1.222 57.194 56.100 -0.212 0.000 0.990 221 R CB -1.613 28.503 30.300 -0.307 0.000 0.889 221 R HN 0.487 nan 8.270 nan 0.000 0.452 222 V N -0.050 119.695 119.914 -0.281 0.000 2.379 222 V HA -0.075 4.045 4.120 -0.000 0.000 0.245 222 V C 2.282 178.174 176.094 -0.335 0.000 1.044 222 V CA 1.263 63.331 62.300 -0.386 0.000 1.036 222 V CB -0.750 30.652 31.823 -0.702 0.000 0.664 222 V HN 0.439 nan 8.190 nan 0.000 0.453 223 F N 0.884 120.644 119.950 -0.315 0.000 2.120 223 F HA -0.236 4.290 4.527 -0.001 0.000 0.300 223 F C 2.620 178.318 175.800 -0.170 0.000 1.095 223 F CA 1.545 59.428 58.000 -0.196 0.000 1.249 223 F CB -0.977 37.985 39.000 -0.064 0.000 0.995 223 F HN 0.210 nan 8.300 nan 0.000 0.480 224 Q N -0.467 119.360 119.800 0.045 0.000 2.119 224 Q HA -0.166 4.174 4.340 -0.000 0.000 0.201 224 Q C 2.144 178.119 176.000 -0.042 0.000 0.972 224 Q CA 1.179 56.979 55.803 -0.006 0.000 0.847 224 Q CB -0.123 28.598 28.738 -0.027 0.000 0.903 224 Q HN 0.390 nan 8.270 nan 0.000 0.433 225 E N 0.436 120.587 120.200 -0.083 0.000 2.072 225 E HA -0.107 4.243 4.350 -0.000 0.000 0.190 225 E C 1.986 178.518 176.600 -0.113 0.000 0.982 225 E CA 0.910 57.243 56.400 -0.111 0.000 0.803 225 E CB -0.180 29.417 29.700 -0.171 0.000 0.755 225 E HN 0.300 nan 8.360 nan 0.000 0.453 226 A N 1.909 124.645 122.820 -0.141 0.000 1.892 226 A HA -0.260 4.059 4.320 -0.000 0.000 0.218 226 A C 2.172 179.708 177.584 -0.081 0.000 1.188 226 A CA 2.097 54.023 52.037 -0.184 0.000 0.631 226 A CB -0.451 18.261 19.000 -0.480 0.000 0.822 226 A HN 0.133 nan 8.150 nan 0.000 0.447 227 K N -0.866 119.482 120.400 -0.087 0.000 2.062 227 K HA -0.104 4.216 4.320 -0.000 0.000 0.205 227 K C 2.400 179.008 176.600 0.012 0.000 1.051 227 K CA 1.158 57.423 56.287 -0.037 0.000 0.941 227 K CB -0.178 32.314 32.500 -0.013 0.000 0.719 227 K HN 0.462 nan 8.250 nan 0.000 0.440 228 R N 0.756 121.268 120.500 0.019 0.000 2.075 228 R HA -0.109 4.230 4.340 -0.000 0.000 0.232 228 R C 1.831 178.141 176.300 0.018 0.000 1.126 228 R CA 1.589 57.724 56.100 0.059 0.000 0.963 228 R CB 0.011 30.324 30.300 0.022 0.000 0.858 228 R HN 0.289 nan 8.270 nan 0.000 0.435 229 Q N 0.361 120.127 119.800 -0.057 0.000 2.482 229 Q HA 0.045 4.385 4.340 -0.000 0.000 0.209 229 Q C 0.593 176.502 176.000 -0.152 0.000 0.961 229 Q CA -0.061 55.693 55.803 -0.083 0.000 0.945 229 Q CB 0.145 28.819 28.738 -0.107 0.000 1.012 229 Q HN 0.327 nan 8.270 nan 0.000 0.515 264 F N -0.475 119.571 119.950 0.160 0.000 3.093 264 F HA -0.338 4.189 4.527 0.000 0.000 0.287 264 F C 0.989 176.830 175.800 0.067 0.000 0.882 264 F CA 0.307 58.384 58.000 0.128 0.000 1.063 264 F CB -2.432 36.605 39.000 0.061 0.000 1.097 264 F HN 0.597 nan 8.300 nan 0.000 0.604 265 C N -1.061 118.318 119.300 0.131 0.000 2.611 265 C HA 0.357 4.817 4.460 -0.000 0.000 0.282 265 C C 1.437 176.428 174.990 0.002 0.000 1.321 265 C CA -0.178 58.877 59.018 0.063 0.000 1.747 265 C CB -0.400 27.370 27.740 0.050 0.000 2.124 265 C HN 0.385 nan 8.230 nan 0.000 0.531 266 L N 1.816 122.985 121.223 -0.091 0.000 2.417 266 L HA 0.177 4.517 4.340 -0.000 0.000 0.268 266 L C 1.684 178.502 176.870 -0.086 0.000 1.158 266 L CA 0.388 55.119 54.840 -0.182 0.000 0.819 266 L CB 0.273 42.046 42.059 -0.477 0.000 1.112 266 L HN 0.157 nan 8.230 nan 0.000 0.458 267 K N 1.874 122.215 120.400 -0.099 0.000 2.063 267 K HA -0.216 4.104 4.320 -0.000 0.000 0.208 267 K C 1.161 177.722 176.600 -0.064 0.000 1.048 267 K CA 2.210 58.462 56.287 -0.059 0.000 0.928 267 K CB 0.132 32.590 32.500 -0.070 0.000 0.713 267 K HN 0.771 nan 8.250 nan 0.000 0.442 268 E N -0.355 119.723 120.200 -0.204 0.000 2.268 268 E HA -0.106 4.244 4.350 -0.000 0.000 0.195 268 E C 1.728 178.291 176.600 -0.061 0.000 0.995 268 E CA 1.032 57.245 56.400 -0.311 0.000 0.836 268 E CB -0.023 29.053 29.700 -1.040 0.000 0.763 268 E HN 0.519 nan 8.360 nan 0.000 0.491 269 H N -0.169 118.818 119.070 -0.138 0.000 2.384 269 H HA 0.107 4.663 4.556 0.000 0.000 0.300 269 H C 1.629 177.122 175.328 0.274 0.000 1.057 269 H CA 0.652 56.747 56.048 0.078 0.000 1.370 269 H CB 0.328 30.105 29.762 0.025 0.000 1.417 269 H HN 0.015 nan 8.280 nan 0.000 0.527 270 K N 0.898 121.488 120.400 0.317 0.000 2.103 270 K HA -0.114 4.205 4.320 -0.000 0.000 0.207 270 K C 2.380 179.099 176.600 0.197 0.000 1.048 270 K CA 1.004 57.433 56.287 0.236 0.000 0.930 270 K CB -0.020 32.562 32.500 0.137 0.000 0.716 270 K HN 0.164 nan 8.250 nan 0.000 0.444 271 A N 1.389 124.309 122.820 0.166 0.000 1.902 271 A HA -0.116 4.204 4.320 -0.000 0.000 0.217 271 A C 2.123 179.841 177.584 0.223 0.000 1.181 271 A CA 1.208 53.343 52.037 0.164 0.000 0.623 271 A CB -0.554 18.513 19.000 0.111 0.000 0.818 271 A HN 0.152 nan 8.150 nan 0.000 0.443 272 L N -0.820 120.560 121.223 0.262 0.000 2.093 272 L HA -0.152 4.188 4.340 -0.000 0.000 0.208 272 L C 2.570 179.741 176.870 0.501 0.000 1.085 272 L CA 1.713 56.759 54.840 0.343 0.000 0.755 272 L CB -0.363 41.846 42.059 0.250 0.000 0.904 272 L HN 0.433 nan 8.230 nan 0.000 0.435 273 K N -0.183 120.513 120.400 0.494 0.000 2.063 273 K HA -0.180 4.140 4.320 -0.000 0.000 0.208 273 K C 2.024 178.750 176.600 0.210 0.000 1.048 273 K CA 1.931 58.414 56.287 0.326 0.000 0.928 273 K CB -0.070 32.361 32.500 -0.116 0.000 0.713 273 K HN 0.206 nan 8.250 nan 0.000 0.442 274 T N 2.061 116.717 114.554 0.169 0.000 2.635 274 T HA -0.182 4.168 4.350 -0.000 0.000 0.267 274 T C 1.801 176.581 174.700 0.134 0.000 1.040 274 T CA 1.707 63.885 62.100 0.129 0.000 1.156 274 T CB -0.303 68.659 68.868 0.156 0.000 0.863 274 T HN 0.167 nan 8.240 nan 0.000 0.430 275 L N 0.729 122.055 121.223 0.172 0.000 2.043 275 L HA -0.110 4.230 4.340 -0.000 0.000 0.212 275 L C 3.056 179.884 176.870 -0.070 0.000 1.075 275 L CA 1.564 56.447 54.840 0.071 0.000 0.752 275 L CB -1.190 40.921 42.059 0.087 0.000 0.891 275 L HN 0.401 nan 8.230 nan 0.000 0.432 276 G N 0.100 108.952 108.800 0.087 0.000 2.450 276 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.220 276 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.220 276 G C 1.584 176.554 174.900 0.116 0.000 1.130 276 G CA 0.719 45.919 45.100 0.167 0.000 0.760 276 G HN 0.319 nan 8.290 nan 0.000 0.557 277 I N 0.648 121.272 120.570 0.090 0.000 2.353 277 I HA -0.088 4.082 4.170 -0.000 0.000 0.248 277 I C 2.494 178.618 176.117 0.012 0.000 1.119 277 I CA 0.223 61.541 61.300 0.030 0.000 1.417 277 I CB -0.092 37.903 38.000 -0.008 0.000 1.078 277 I HN 0.061 nan 8.210 nan 0.000 0.421 278 I N 0.630 121.199 120.570 -0.000 0.000 2.091 278 I HA -0.337 3.833 4.170 -0.000 0.000 0.239 278 I C 2.622 178.768 176.117 0.049 0.000 1.061 278 I CA 2.106 63.412 61.300 0.010 0.000 1.317 278 I CB -1.040 36.965 38.000 0.008 0.000 1.031 278 I HN 0.261 nan 8.210 nan 0.000 0.401 279 M N 0.353 119.931 119.600 -0.035 0.000 2.065 279 M HA -0.168 4.312 4.480 -0.000 0.000 0.259 279 M C 2.402 178.743 176.300 0.069 0.000 1.069 279 M CA 2.309 57.578 55.300 -0.053 0.000 1.110 279 M CB -1.137 31.333 32.600 -0.217 0.000 1.328 279 M HN 0.357 nan 8.290 nan 0.000 0.405 280 G N -0.376 108.463 108.800 0.065 0.000 2.476 280 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.218 280 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.218 280 G C 1.463 176.427 174.900 0.106 0.000 1.164 280 G CA 1.741 46.895 45.100 0.090 0.000 0.768 280 G HN 0.420 nan 8.290 nan 0.000 0.560 281 T N 0.640 115.251 114.554 0.096 0.000 2.708 281 T HA -0.122 4.228 4.350 -0.000 0.000 0.266 281 T C 1.949 176.759 174.700 0.183 0.000 1.037 281 T CA 1.173 63.328 62.100 0.092 0.000 1.146 281 T CB -0.330 68.570 68.868 0.054 0.000 0.865 281 T HN 0.227 nan 8.240 nan 0.000 0.435 282 F N 2.077 122.100 119.950 0.122 0.000 2.091 282 F HA -0.207 4.320 4.527 0.000 0.000 0.299 282 F C 2.471 178.443 175.800 0.287 0.000 1.103 282 F CA 1.572 59.709 58.000 0.228 0.000 1.228 282 F CB -0.892 38.215 39.000 0.179 0.000 0.984 282 F HN 0.079 nan 8.300 nan 0.000 0.477 283 T N 1.572 116.403 114.554 0.461 0.000 2.622 283 T HA -0.241 4.109 4.350 -0.000 0.000 0.266 283 T C 2.120 176.969 174.700 0.248 0.000 1.047 283 T CA 2.064 64.375 62.100 0.352 0.000 1.159 283 T CB -0.737 68.258 68.868 0.211 0.000 0.863 283 T HN 0.240 nan 8.240 nan 0.000 0.422 284 L N 0.418 121.732 121.223 0.152 0.000 2.013 284 L HA -0.165 4.175 4.340 -0.000 0.000 0.212 284 L C 2.948 179.841 176.870 0.039 0.000 1.073 284 L CA 1.171 56.063 54.840 0.086 0.000 0.753 284 L CB -0.765 41.318 42.059 0.040 0.000 0.890 284 L HN 0.404 nan 8.230 nan 0.000 0.432 285 C N -1.916 117.369 119.300 -0.025 0.000 2.440 285 C HA -0.145 4.315 4.460 -0.000 0.000 0.278 285 C C 2.401 177.181 174.990 -0.351 0.000 1.295 285 C CA 0.270 59.159 59.018 -0.215 0.000 1.738 285 C CB -1.067 26.484 27.740 -0.315 0.000 1.987 285 C HN 0.648 nan 8.230 nan 0.000 0.492 286 W N -0.607 120.619 121.300 -0.123 0.000 2.640 286 W HA 0.206 4.865 4.660 -0.001 0.000 0.271 286 W C 2.229 178.791 176.519 0.071 0.000 1.218 286 W CA -0.367 56.913 57.345 -0.108 0.000 1.382 286 W CB -0.548 28.776 29.460 -0.226 0.000 1.067 286 W HN 0.033 nan 8.180 nan 0.000 0.590 287 L N 1.794 123.270 121.223 0.422 0.000 2.021 287 L HA -0.169 4.171 4.340 -0.000 0.000 0.215 287 L C -0.781 176.250 176.870 0.269 0.000 1.074 287 L CA 2.382 57.457 54.840 0.392 0.000 0.760 287 L CB -1.858 40.417 42.059 0.359 0.000 0.889 287 L HN -0.219 nan 8.230 nan 0.000 0.433 288 P HA -0.241 nan 4.420 nan 0.000 0.214 288 P C 1.756 179.130 177.300 0.125 0.000 1.163 288 P CA 1.613 64.792 63.100 0.132 0.000 0.889 288 P CB -0.308 31.438 31.700 0.076 0.000 0.790 289 F N -0.614 119.306 119.950 -0.050 0.000 2.063 289 F HA -0.250 4.277 4.527 -0.000 0.000 0.298 289 F C 2.022 177.727 175.800 -0.158 0.000 1.109 289 F CA 1.716 59.617 58.000 -0.164 0.000 1.212 289 F CB -1.076 37.764 39.000 -0.267 0.000 0.973 289 F HN -0.214 nan 8.300 nan 0.000 0.480 290 F N 0.148 120.013 119.950 -0.141 0.000 2.259 290 F HA -0.094 4.433 4.527 0.000 0.000 0.298 290 F C 2.304 178.106 175.800 0.003 0.000 1.088 290 F CA 1.184 59.017 58.000 -0.278 0.000 1.358 290 F CB -0.544 38.044 39.000 -0.687 0.000 1.040 290 F HN -0.021 nan 8.300 nan 0.000 0.505 291 I N -1.034 119.693 120.570 0.262 0.000 2.202 291 I HA -0.259 3.910 4.170 -0.000 0.000 0.242 291 I C 2.220 178.415 176.117 0.130 0.000 1.091 291 I CA 0.988 62.441 61.300 0.254 0.000 1.368 291 I CB -0.443 37.685 38.000 0.215 0.000 1.058 291 I HN -0.122 nan 8.210 nan 0.000 0.410 292 V N 0.881 120.825 119.914 0.049 0.000 2.667 292 V HA -0.219 3.901 4.120 -0.000 0.000 0.252 292 V C 2.076 178.169 176.094 -0.003 0.000 1.065 292 V CA 1.623 63.940 62.300 0.027 0.000 1.083 292 V CB -0.787 31.050 31.823 0.023 0.000 0.692 292 V HN 0.435 nan 8.190 nan 0.000 0.468 293 N N 0.630 119.250 118.700 -0.132 0.000 2.025 293 N HA -0.160 4.580 4.740 -0.000 0.000 0.194 293 N C 1.600 177.136 175.510 0.044 0.000 1.044 293 N CA 1.936 54.904 53.050 -0.137 0.000 0.851 293 N CB -0.255 38.019 38.487 -0.356 0.000 1.036 293 N HN 0.429 nan 8.380 nan 0.000 0.422 294 I N -0.460 120.170 120.570 0.100 0.000 2.546 294 I HA -0.134 4.036 4.170 -0.000 0.000 0.255 294 I C 1.637 177.801 176.117 0.079 0.000 1.163 294 I CA 0.294 61.662 61.300 0.114 0.000 1.457 294 I CB 0.178 38.263 38.000 0.142 0.000 1.092 294 I HN 0.015 nan 8.210 nan 0.000 0.434 295 V N 0.161 120.124 119.914 0.081 0.000 2.626 295 V HA -0.299 3.821 4.120 -0.000 0.000 0.252 295 V C 2.398 178.528 176.094 0.060 0.000 1.067 295 V CA 1.748 64.084 62.300 0.060 0.000 1.081 295 V CB -0.916 30.945 31.823 0.062 0.000 0.686 295 V HN 0.549 nan 8.190 nan 0.000 0.468 296 H N -0.422 118.640 119.070 -0.013 0.000 2.521 296 H HA -0.050 4.506 4.556 -0.000 0.000 0.286 296 H C 2.051 177.362 175.328 -0.029 0.000 1.034 296 H CA 1.491 57.519 56.048 -0.034 0.000 1.278 296 H CB 0.456 30.174 29.762 -0.073 0.000 1.386 296 H HN 0.319 nan 8.280 nan 0.000 0.567 297 V N 1.209 121.117 119.914 -0.010 0.000 2.446 297 V HA -0.178 3.942 4.120 -0.000 0.000 0.244 297 V C 2.551 178.602 176.094 -0.072 0.000 1.039 297 V CA 0.888 63.166 62.300 -0.037 0.000 1.045 297 V CB -0.232 31.614 31.823 0.038 0.000 0.681 297 V HN 0.267 nan 8.190 nan 0.000 0.459 298 I N 0.594 121.136 120.570 -0.047 0.000 2.087 298 I HA -0.083 4.087 4.170 -0.000 0.000 0.231 298 I C 1.620 177.694 176.117 -0.072 0.000 1.058 298 I CA 1.706 62.978 61.300 -0.046 0.000 1.328 298 I CB -1.625 36.360 38.000 -0.024 0.000 1.079 298 I HN 0.437 nan 8.210 nan 0.000 0.397 299 Q N 2.728 122.487 119.800 -0.069 0.000 2.421 299 Q HA 0.213 4.553 4.340 -0.000 0.000 0.242 299 Q C 0.541 176.460 176.000 -0.135 0.000 1.024 299 Q CA -0.201 55.553 55.803 -0.081 0.000 0.891 299 Q CB -0.378 28.333 28.738 -0.044 0.000 1.222 299 Q HN 0.584 nan 8.270 nan 0.000 0.483 300 D N 0.816 121.092 120.400 -0.207 0.000 2.317 300 D HA -0.141 4.499 4.640 -0.000 0.000 0.211 300 D C 0.339 176.492 176.300 -0.247 0.000 0.966 300 D CA 1.001 54.762 54.000 -0.399 0.000 0.876 300 D CB 0.202 40.753 40.800 -0.414 0.000 0.927 300 D HN 0.613 nan 8.370 nan 0.000 0.519 301 N N 0.211 118.845 118.700 -0.111 0.000 2.376 301 N HA 0.077 4.817 4.740 -0.000 0.000 0.249 301 N C 0.771 176.281 175.510 0.001 0.000 1.140 301 N CA -0.344 52.683 53.050 -0.037 0.000 0.870 301 N CB 0.508 38.972 38.487 -0.039 0.000 1.124 301 N HN 0.139 nan 8.380 nan 0.000 0.505 302 L N -0.215 121.019 121.223 0.019 0.000 2.577 302 L HA 0.498 4.838 4.340 -0.000 0.000 0.225 302 L C -0.167 176.740 176.870 0.062 0.000 1.053 302 L CA 0.327 55.187 54.840 0.033 0.000 0.866 302 L CB 0.080 42.151 42.059 0.021 0.000 1.132 302 L HN 0.266 nan 8.230 nan 0.000 0.486 303 I N -1.343 119.291 120.570 0.107 0.000 2.378 303 I HA 0.512 4.682 4.170 -0.000 0.000 0.291 303 I C -0.200 175.973 176.117 0.094 0.000 0.992 303 I CA -0.618 60.745 61.300 0.105 0.000 1.154 303 I CB 1.332 39.401 38.000 0.115 0.000 1.315 303 I HN -0.051 nan 8.210 nan 0.000 0.448 304 R N 4.157 124.701 120.500 0.074 0.000 2.539 304 R HA 0.263 4.603 4.340 -0.000 0.000 0.275 304 R C 1.111 177.455 176.300 0.074 0.000 1.077 304 R CA -0.677 55.461 56.100 0.064 0.000 1.097 304 R CB 0.889 31.222 30.300 0.054 0.000 1.018 304 R HN 0.736 nan 8.270 nan 0.000 0.483 305 K N 2.613 123.047 120.400 0.058 0.000 2.113 305 K HA -0.277 4.043 4.320 -0.000 0.000 0.208 305 K C 2.056 178.731 176.600 0.125 0.000 1.047 305 K CA 2.193 58.527 56.287 0.079 0.000 0.928 305 K CB 0.026 32.556 32.500 0.050 0.000 0.716 305 K HN 0.721 nan 8.250 nan 0.000 0.446 306 E N 0.438 120.687 120.200 0.080 0.000 2.051 306 E HA -0.115 4.235 4.350 -0.000 0.000 0.192 306 E C 2.005 178.648 176.600 0.071 0.000 0.991 306 E CA 1.617 58.052 56.400 0.058 0.000 0.799 306 E CB -0.946 28.772 29.700 0.030 0.000 0.748 306 E HN 0.221 nan 8.360 nan 0.000 0.449 307 V N -0.350 119.614 119.914 0.083 0.000 2.343 307 V HA -0.213 3.906 4.120 -0.000 0.000 0.247 307 V C 2.399 178.568 176.094 0.125 0.000 1.051 307 V CA 1.922 64.272 62.300 0.084 0.000 1.036 307 V CB -0.655 31.216 31.823 0.079 0.000 0.654 307 V HN 0.712 nan 8.190 nan 0.000 0.451 308 Y N 0.608 120.922 120.300 0.024 0.000 2.089 308 Y HA -0.242 4.308 4.550 -0.000 0.000 0.282 308 Y C 2.324 178.306 175.900 0.136 0.000 1.139 308 Y CA 1.833 59.960 58.100 0.046 0.000 1.123 308 Y CB -0.317 38.126 38.460 -0.027 0.000 0.980 308 Y HN 0.137 nan 8.280 nan 0.000 0.493 309 I N -0.372 120.289 120.570 0.151 0.000 2.151 309 I HA -0.340 3.830 4.170 -0.000 0.000 0.243 309 I C 2.426 178.605 176.117 0.103 0.000 1.080 309 I CA 1.660 63.031 61.300 0.118 0.000 1.339 309 I CB -0.547 37.554 38.000 0.169 0.000 1.039 309 I HN 0.351 nan 8.210 nan 0.000 0.409 310 L N 0.684 121.938 121.223 0.051 0.000 2.012 310 L HA -0.216 4.124 4.340 -0.000 0.000 0.210 310 L C 2.334 179.202 176.870 -0.003 0.000 1.073 310 L CA 1.843 56.698 54.840 0.025 0.000 0.748 310 L CB -0.335 41.725 42.059 0.000 0.000 0.891 310 L HN 0.135 nan 8.230 nan 0.000 0.431 311 L N -0.640 120.569 121.223 -0.023 0.000 2.141 311 L HA -0.209 4.130 4.340 -0.000 0.000 0.209 311 L C 2.280 178.990 176.870 -0.266 0.000 1.094 311 L CA 1.596 56.402 54.840 -0.055 0.000 0.763 311 L CB -0.731 41.364 42.059 0.059 0.000 0.908 311 L HN 0.476 nan 8.230 nan 0.000 0.437 312 N N -0.679 117.783 118.700 -0.397 0.000 2.166 312 N HA -0.217 4.523 4.740 -0.000 0.000 0.186 312 N C 1.757 176.613 175.510 -1.090 0.000 1.019 312 N CA 1.104 53.529 53.050 -1.043 0.000 0.856 312 N CB -0.069 37.855 38.487 -0.938 0.000 0.993 312 N HN 0.221 nan 8.380 nan 0.000 0.426 313 W N 0.949 121.853 121.300 -0.660 0.000 2.467 313 W HA 0.146 4.806 4.660 0.000 0.000 0.275 313 W C 1.797 178.077 176.519 -0.397 0.000 1.239 313 W CA 0.224 57.317 57.345 -0.420 0.000 1.266 313 W CB -0.161 29.223 29.460 -0.128 0.000 1.112 313 W HN 0.078 nan 8.180 nan 0.000 0.576 314 I N -0.112 120.312 120.570 -0.243 0.000 2.264 314 I HA -0.236 3.934 4.170 -0.000 0.000 0.248 314 I C 2.650 178.384 176.117 -0.639 0.000 1.111 314 I CA 1.576 62.698 61.300 -0.297 0.000 1.382 314 I CB -1.049 36.817 38.000 -0.223 0.000 1.060 314 I HN 0.046 nan 8.210 nan 0.000 0.418 315 G N 0.105 108.183 108.800 -1.202 0.000 2.433 315 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.216 315 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.216 315 G C 1.448 175.576 174.900 -1.287 0.000 1.186 315 G CA 0.625 44.318 45.100 -2.344 0.000 0.779 315 G HN 0.205 nan 8.290 nan 0.000 0.543 316 Y N 0.329 120.098 120.300 -0.884 0.000 2.114 316 Y HA -0.096 4.454 4.550 -0.000 0.000 0.282 316 Y C 3.009 178.648 175.900 -0.435 0.000 1.165 316 Y CA 0.399 58.156 58.100 -0.570 0.000 1.148 316 Y CB -1.199 36.768 38.460 -0.821 0.000 0.972 316 Y HN 0.078 nan 8.280 nan 0.000 0.504 317 V N 0.888 120.653 119.914 -0.249 0.000 2.867 317 V HA -0.274 3.846 4.120 -0.000 0.000 0.260 317 V C 2.015 177.709 176.094 -0.666 0.000 1.099 317 V CA 1.965 64.062 62.300 -0.338 0.000 1.122 317 V CB -0.726 30.991 31.823 -0.177 0.000 0.708 317 V HN 0.523 nan 8.190 nan 0.000 0.490 318 N N -0.363 118.078 118.700 -0.433 0.000 2.309 318 N HA -0.145 4.594 4.740 -0.000 0.000 0.182 318 N C 1.780 177.187 175.510 -0.172 0.000 1.018 318 N CA 1.588 54.489 53.050 -0.248 0.000 0.876 318 N CB -0.193 38.207 38.487 -0.144 0.000 0.972 318 N HN 0.355 nan 8.380 nan 0.000 0.434 319 S N -1.428 114.196 115.700 -0.127 0.000 2.493 319 S HA -0.023 4.447 4.470 -0.000 0.000 0.243 319 S C 1.486 176.026 174.600 -0.100 0.000 0.991 319 S CA 1.030 59.212 58.200 -0.032 0.000 0.957 319 S CB -0.415 62.780 63.200 -0.008 0.000 0.756 319 S HN 0.651 nan 8.310 nan 0.000 0.521 320 G N -1.010 107.612 108.800 -0.297 0.000 2.921 320 G HA2 0.162 4.122 3.960 -0.000 0.000 0.213 320 G HA3 0.162 4.122 3.960 -0.000 0.000 0.213 320 G C 0.785 175.579 174.900 -0.177 0.000 1.143 320 G CA -0.170 44.774 45.100 -0.260 0.000 0.764 320 G HN 0.440 nan 8.290 nan 0.000 0.542 321 F N 1.732 121.674 119.950 -0.013 0.000 2.293 321 F HA 0.117 4.643 4.527 -0.001 0.000 0.297 321 F C 2.261 177.988 175.800 -0.122 0.000 1.089 321 F CA 0.053 58.024 58.000 -0.049 0.000 1.377 321 F CB -0.604 38.368 39.000 -0.046 0.000 1.051 321 F HN -0.008 nan 8.300 nan 0.000 0.511 322 N N 1.043 119.749 118.700 0.010 0.000 2.018 322 N HA -0.172 4.568 4.740 -0.000 0.000 0.196 322 N C -0.747 174.475 175.510 -0.481 0.000 1.043 322 N CA 1.810 54.664 53.050 -0.327 0.000 0.856 322 N CB -1.955 36.435 38.487 -0.161 0.000 1.042 322 N HN 0.131 nan 8.380 nan 0.000 0.423 323 P HA -0.117 nan 4.420 nan 0.000 0.216 323 P C 1.556 178.928 177.300 0.119 0.000 1.150 323 P CA 0.970 64.141 63.100 0.118 0.000 0.843 323 P CB -0.001 31.716 31.700 0.028 0.000 0.787 324 L N -1.306 119.951 121.223 0.057 0.000 1.976 324 L HA -0.179 4.161 4.340 -0.000 0.000 0.209 324 L C 2.453 179.345 176.870 0.036 0.000 1.071 324 L CA 1.574 56.467 54.840 0.087 0.000 0.746 324 L CB -1.019 41.100 42.059 0.101 0.000 0.890 324 L HN -0.092 nan 8.230 nan 0.000 0.432 325 I N -1.118 119.398 120.570 -0.091 0.000 2.236 325 I HA -0.354 3.815 4.170 -0.000 0.000 0.249 325 I C 2.246 178.303 176.117 -0.099 0.000 1.102 325 I CA 1.454 62.666 61.300 -0.146 0.000 1.365 325 I CB -0.494 37.355 38.000 -0.252 0.000 1.051 325 I HN 0.204 nan 8.210 nan 0.000 0.420 326 Y N -0.048 120.242 120.300 -0.016 0.000 2.574 326 Y HA -0.152 4.398 4.550 0.000 0.000 0.294 326 Y C 2.493 178.359 175.900 -0.056 0.000 1.142 326 Y CA -0.046 57.956 58.100 -0.164 0.000 1.314 326 Y CB -1.315 36.873 38.460 -0.454 0.000 0.991 326 Y HN 0.285 nan 8.280 nan 0.000 0.555 327 C N -0.636 118.786 119.300 0.202 0.000 2.472 327 C HA -0.078 4.382 4.460 -0.000 0.000 0.278 327 C C 2.495 177.546 174.990 0.101 0.000 1.447 327 C CA 0.242 59.364 59.018 0.174 0.000 1.773 327 C CB -1.096 26.773 27.740 0.215 0.000 1.793 327 C HN 0.501 nan 8.230 nan 0.000 0.544 328 R N 0.811 121.364 120.500 0.088 0.000 2.115 328 R HA -0.065 4.275 4.340 -0.000 0.000 0.230 328 R C 1.343 177.693 176.300 0.083 0.000 1.111 328 R CA 0.829 56.971 56.100 0.070 0.000 0.976 328 R CB -0.290 30.045 30.300 0.059 0.000 0.870 328 R HN 0.383 nan 8.270 nan 0.000 0.445 329 S N 1.270 117.045 115.700 0.125 0.000 2.465 329 S HA 0.113 4.583 4.470 -0.000 0.000 0.280 329 S C -1.817 172.825 174.600 0.070 0.000 1.232 329 S CA -1.688 56.601 58.200 0.148 0.000 1.066 329 S CB 1.018 64.424 63.200 0.344 0.000 0.929 329 S HN -0.094 nan 8.310 nan 0.000 0.494 330 P HA -0.066 nan 4.420 nan 0.000 0.216 330 P C 0.540 177.785 177.300 -0.092 0.000 1.150 330 P CA 1.200 64.282 63.100 -0.030 0.000 0.837 330 P CB 0.034 31.715 31.700 -0.032 0.000 0.786 331 D N -1.557 118.774 120.400 -0.115 0.000 2.149 331 D HA -0.160 4.480 4.640 -0.000 0.000 0.198 331 D C 1.433 177.504 176.300 -0.383 0.000 0.990 331 D CA 1.074 54.926 54.000 -0.246 0.000 0.839 331 D CB -0.680 39.955 40.800 -0.275 0.000 0.948 331 D HN 0.137 nan 8.370 nan 0.000 0.460 332 F N 0.526 120.278 119.950 -0.330 0.000 2.293 332 F HA 0.108 4.636 4.527 0.001 0.000 0.297 332 F C 2.331 177.631 175.800 -0.833 0.000 1.089 332 F CA 0.589 58.221 58.000 -0.614 0.000 1.377 332 F CB -0.011 38.627 39.000 -0.602 0.000 1.051 332 F HN -0.201 nan 8.300 nan 0.000 0.511 333 R N 0.382 120.718 120.500 -0.274 0.000 2.070 333 R HA -0.141 4.199 4.340 -0.000 0.000 0.232 333 R C 2.228 178.453 176.300 -0.126 0.000 1.138 333 R CA 1.887 57.895 56.100 -0.153 0.000 0.936 333 R CB -0.716 29.564 30.300 -0.034 0.000 0.839 333 R HN 0.222 nan 8.270 nan 0.000 0.429 334 I N 0.707 121.179 120.570 -0.162 0.000 2.236 334 I HA -0.332 3.838 4.170 -0.000 0.000 0.249 334 I C 2.542 178.496 176.117 -0.271 0.000 1.102 334 I CA 1.453 62.645 61.300 -0.180 0.000 1.365 334 I CB -0.418 37.460 38.000 -0.203 0.000 1.051 334 I HN 0.272 nan 8.210 nan 0.000 0.420 335 A N 0.708 123.291 122.820 -0.394 0.000 1.898 335 A HA -0.149 4.171 4.320 -0.000 0.000 0.216 335 A C 2.076 179.672 177.584 0.019 0.000 1.181 335 A CA 1.345 53.100 52.037 -0.469 0.000 0.620 335 A CB -0.709 18.004 19.000 -0.479 0.000 0.819 335 A HN 0.303 nan 8.150 nan 0.000 0.442 336 F N 0.990 120.936 119.950 -0.006 0.000 2.146 336 F HA -0.167 4.361 4.527 0.002 0.000 0.298 336 F C 2.871 178.699 175.800 0.046 0.000 1.096 336 F CA 1.066 59.097 58.000 0.051 0.000 1.275 336 F CB -1.082 37.965 39.000 0.078 0.000 1.008 336 F HN 0.531 nan 8.300 nan 0.000 0.480 337 Q N -0.122 119.807 119.800 0.215 0.000 2.123 337 Q HA -0.154 4.186 4.340 -0.000 0.000 0.199 337 Q C 1.723 177.791 176.000 0.114 0.000 0.966 337 Q CA 1.174 57.061 55.803 0.140 0.000 0.845 337 Q CB -0.725 28.070 28.738 0.094 0.000 0.907 337 Q HN 0.323 nan 8.270 nan 0.000 0.439 338 E N 1.285 121.536 120.200 0.086 0.000 2.085 338 E HA -0.116 4.234 4.350 -0.000 0.000 0.194 338 E C 2.144 178.856 176.600 0.186 0.000 0.994 338 E CA 1.009 57.484 56.400 0.125 0.000 0.801 338 E CB -0.055 29.719 29.700 0.123 0.000 0.743 338 E HN 0.450 nan 8.360 nan 0.000 0.453 339 L N -0.074 121.281 121.223 0.219 0.000 2.240 339 L HA -0.055 4.285 4.340 -0.000 0.000 0.211 339 L C 2.224 179.178 176.870 0.141 0.000 1.106 339 L CA 0.387 55.347 54.840 0.201 0.000 0.793 339 L CB -0.114 42.085 42.059 0.232 0.000 0.927 339 L HN 0.058 nan 8.230 nan 0.000 0.446 340 L N -0.951 120.357 121.223 0.142 0.000 2.592 340 L HA 0.037 4.376 4.340 -0.000 0.000 0.227 340 L C 0.880 177.817 176.870 0.112 0.000 1.127 340 L CA -0.316 54.604 54.840 0.133 0.000 0.884 340 L CB 0.038 42.187 42.059 0.150 0.000 1.065 340 L HN 0.321 nan 8.230 nan 0.000 0.457 341 C N 1.468 120.831 119.300 0.105 0.000 3.442 341 C HA -0.190 4.270 4.460 -0.000 0.000 0.288 341 C C 0.209 175.244 174.990 0.074 0.000 1.238 341 C CA -0.066 59.003 59.018 0.085 0.000 2.320 341 C CB -2.180 25.604 27.740 0.073 0.000 1.459 341 C HN 0.415 nan 8.230 nan 0.000 0.544 1003 I N -0.329 120.150 120.570 -0.150 0.000 2.335 1003 I HA -0.205 3.965 4.170 -0.000 0.000 0.251 1003 I C 0.774 176.702 176.117 -0.315 0.000 1.129 1003 I CA 1.690 62.826 61.300 -0.273 0.000 1.402 1003 I CB -0.359 37.405 38.000 -0.394 0.000 1.069 1003 I HN 0.555 nan 8.210 nan 0.000 0.424 1004 F N 1.334 121.248 119.950 -0.060 0.000 2.134 1004 F HA -0.188 4.355 4.527 0.028 0.000 0.299 1004 F C 2.562 178.443 175.800 0.135 0.000 1.097 1004 F CA 1.423 59.488 58.000 0.109 0.000 1.264 1004 F CB -0.723 38.320 39.000 0.073 0.000 1.001 1004 F HN 0.084 nan 8.300 nan 0.000 0.479 1005 E N -0.189 120.072 120.200 0.103 0.000 2.107 1005 E HA -0.204 4.146 4.350 -0.000 0.000 0.191 1005 E C 2.229 178.722 176.600 -0.180 0.000 0.982 1005 E CA 0.883 57.241 56.400 -0.071 0.000 0.809 1005 E CB -0.231 29.361 29.700 -0.181 0.000 0.756 1005 E HN 0.381 nan 8.360 nan 0.000 0.459 1006 M N 0.618 120.042 119.600 -0.293 0.000 2.065 1006 M HA -0.216 4.264 4.480 -0.000 0.000 0.259 1006 M C 2.004 178.206 176.300 -0.163 0.000 1.069 1006 M CA 1.614 56.673 55.300 -0.401 0.000 1.110 1006 M CB -0.018 32.326 32.600 -0.427 0.000 1.328 1006 M HN 0.148 nan 8.290 nan 0.000 0.405 1007 L N -0.660 120.507 121.223 -0.094 0.000 2.291 1007 L HA -0.135 4.205 4.340 -0.000 0.000 0.214 1007 L C 2.696 179.482 176.870 -0.140 0.000 1.120 1007 L CA 0.460 55.244 54.840 -0.094 0.000 0.799 1007 L CB -0.555 41.410 42.059 -0.156 0.000 0.925 1007 L HN 0.346 nan 8.230 nan 0.000 0.446 1008 R N 0.645 121.056 120.500 -0.148 0.000 2.090 1008 R HA -0.074 4.265 4.340 -0.000 0.000 0.228 1008 R C 2.107 178.338 176.300 -0.115 0.000 1.110 1008 R CA 1.202 57.169 56.100 -0.222 0.000 0.973 1008 R CB -0.189 29.996 30.300 -0.193 0.000 0.869 1008 R HN 0.331 nan 8.270 nan 0.000 0.440 1009 I N 1.388 121.926 120.570 -0.054 0.000 2.113 1009 I HA -0.272 3.897 4.170 -0.000 0.000 0.238 1009 I C 0.523 176.668 176.117 0.047 0.000 1.070 1009 I CA 1.694 63.004 61.300 0.016 0.000 1.332 1009 I CB -0.300 37.778 38.000 0.129 0.000 1.044 1009 I HN 0.158 nan 8.210 nan 0.000 0.402 1010 D N -0.335 120.125 120.400 0.101 0.000 3.139 1010 D HA 0.167 4.806 4.640 -0.000 0.000 0.268 1010 D C 0.420 176.773 176.300 0.088 0.000 1.322 1010 D CA 0.065 54.127 54.000 0.102 0.000 0.940 1010 D CB 0.813 41.712 40.800 0.165 0.000 1.050 1010 D HN 0.270 nan 8.370 nan 0.000 0.503 1011 E N -0.193 120.035 120.200 0.047 0.000 2.145 1011 E HA 0.262 4.612 4.350 -0.000 0.000 0.199 1011 E C 0.770 177.383 176.600 0.020 0.000 1.006 1011 E CA 0.580 57.029 56.400 0.081 0.000 1.418 1011 E CB 0.386 30.141 29.700 0.090 0.000 3.464 1011 E HN 0.376 nan 8.360 nan 0.000 1.000 1012 G N 0.732 109.504 108.800 -0.046 0.000 2.796 1012 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.226 1012 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.226 1012 G C -0.830 174.005 174.900 -0.109 0.000 1.381 1012 G CA -0.188 44.859 45.100 -0.089 0.000 0.867 1012 G HN 0.529 nan 8.290 nan 0.000 0.552 1013 L N -0.430 120.723 121.223 -0.116 0.000 2.406 1013 L HA 0.879 5.219 4.340 -0.000 0.000 0.272 1013 L C -0.034 176.774 176.870 -0.102 0.000 0.980 1013 L CA -0.826 53.958 54.840 -0.094 0.000 0.831 1013 L CB 1.488 43.492 42.059 -0.092 0.000 1.253 1013 L HN 0.761 nan 8.230 nan 0.000 0.406 1014 R N 4.405 124.853 120.500 -0.086 0.000 2.599 1014 R HA 0.502 4.842 4.340 -0.000 0.000 0.295 1014 R C 0.168 176.495 176.300 0.045 0.000 0.963 1014 R CA -0.561 55.489 56.100 -0.084 0.000 0.883 1014 R CB 1.938 32.064 30.300 -0.291 0.000 1.171 1014 R HN 0.717 nan 8.270 nan 0.000 0.450 1015 L N 1.401 122.647 121.223 0.039 0.000 2.554 1015 L HA 0.251 4.590 4.340 -0.000 0.000 0.225 1015 L C 0.859 177.780 176.870 0.084 0.000 1.104 1015 L CA 0.295 55.170 54.840 0.059 0.000 0.866 1015 L CB 0.033 42.110 42.059 0.030 0.000 1.047 1015 L HN 0.555 nan 8.230 nan 0.000 0.468 1016 K N 0.843 121.304 120.400 0.102 0.000 2.208 1016 K HA 0.588 4.908 4.320 -0.000 0.000 0.247 1016 K C -0.259 176.464 176.600 0.205 0.000 0.953 1016 K CA -0.724 55.636 56.287 0.122 0.000 0.837 1016 K CB 0.854 33.408 32.500 0.091 0.000 1.131 1016 K HN -0.005 nan 8.250 nan 0.000 0.431 1017 I N 3.074 123.757 120.570 0.188 0.000 2.828 1017 I HA 0.066 4.236 4.170 -0.000 0.000 0.292 1017 I C 0.195 176.485 176.117 0.290 0.000 1.206 1017 I CA 0.511 61.945 61.300 0.223 0.000 1.420 1017 I CB -0.381 37.724 38.000 0.175 0.000 1.368 1017 I HN 0.858 nan 8.210 nan 0.000 0.556 1018 Y N 5.518 125.895 120.300 0.129 0.000 2.773 1018 Y HA 0.723 5.270 4.550 -0.005 0.000 0.323 1018 Y C -1.073 174.850 175.900 0.038 0.000 1.183 1018 Y CA -1.671 56.475 58.100 0.076 0.000 1.144 1018 Y CB 0.920 39.410 38.460 0.050 0.000 1.340 1018 Y HN 0.252 nan 8.280 nan 0.000 0.531 1019 K N 1.774 122.176 120.400 0.003 0.000 2.270 1019 K HA 0.253 4.573 4.320 -0.000 0.000 0.255 1019 K C -1.123 175.455 176.600 -0.037 0.000 0.936 1019 K CA -0.959 55.218 56.287 -0.182 0.000 0.809 1019 K CB 1.368 33.743 32.500 -0.210 0.000 1.131 1019 K HN 0.794 nan 8.250 nan 0.000 0.427 1020 D N 0.484 120.813 120.400 -0.119 0.000 2.414 1020 D HA -0.063 4.577 4.640 -0.000 0.000 0.259 1020 D C 0.986 177.284 176.300 -0.004 0.000 1.269 1020 D CA -0.289 53.730 54.000 0.030 0.000 1.028 1020 D CB 0.217 41.041 40.800 0.039 0.000 1.093 1020 D HN 0.579 nan 8.370 nan 0.000 0.545 1021 T N -3.341 111.229 114.554 0.026 0.000 3.051 1021 T HA -0.084 4.266 4.350 -0.000 0.000 0.269 1021 T C 1.150 175.805 174.700 -0.075 0.000 1.127 1021 T CA 0.979 63.074 62.100 -0.008 0.000 1.107 1021 T CB -0.355 68.527 68.868 0.022 0.000 0.898 1021 T HN 0.503 nan 8.240 nan 0.000 0.517 1022 E N 0.608 120.726 120.200 -0.136 0.000 2.447 1022 E HA 0.360 4.710 4.350 -0.000 0.000 0.195 1022 E C 1.612 177.896 176.600 -0.527 0.000 1.028 1022 E CA 0.233 56.442 56.400 -0.319 0.000 0.876 1022 E CB 0.001 29.482 29.700 -0.366 0.000 0.885 1022 E HN 0.613 nan 8.360 nan 0.000 0.500 1023 G N 0.592 109.171 108.800 -0.369 0.000 2.157 1023 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.248 1023 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.248 1023 G C -0.363 174.312 174.900 -0.375 0.000 0.979 1023 G CA -0.140 44.747 45.100 -0.356 0.000 0.650 1023 G HN 0.150 nan 8.290 nan 0.000 0.529 1024 Y N 0.190 120.393 120.300 -0.162 0.000 2.319 1024 Y HA 0.558 5.107 4.550 -0.001 0.000 0.328 1024 Y C 0.984 176.756 175.900 -0.213 0.000 1.133 1024 Y CA -1.539 56.473 58.100 -0.147 0.000 1.265 1024 Y CB 0.206 38.623 38.460 -0.072 0.000 1.218 1024 Y HN 0.191 nan 8.280 nan 0.000 0.508 1025 Y N 1.668 121.998 120.300 0.051 0.000 2.632 1025 Y HA 0.195 4.744 4.550 -0.002 0.000 0.329 1025 Y C 0.673 176.476 175.900 -0.160 0.000 1.174 1025 Y CA 0.512 58.572 58.100 -0.068 0.000 1.469 1025 Y CB 0.206 38.650 38.460 -0.027 0.000 1.242 1025 Y HN 0.505 nan 8.280 nan 0.000 0.540 1026 T N 4.947 119.366 114.554 -0.225 0.000 2.906 1026 T HA 0.700 5.050 4.350 -0.000 0.000 0.295 1026 T C -1.081 173.460 174.700 -0.265 0.000 1.075 1026 T CA -0.726 61.150 62.100 -0.373 0.000 1.005 1026 T CB 2.009 70.440 68.868 -0.729 0.000 1.136 1026 T HN 0.523 nan 8.240 nan 0.000 0.498 1027 I N -0.143 120.460 120.570 0.055 0.000 3.095 1027 I HA 0.603 4.773 4.170 -0.000 0.000 0.310 1027 I C 0.669 176.987 176.117 0.335 0.000 1.196 1027 I CA 0.187 61.646 61.300 0.265 0.000 0.985 1027 I CB 1.684 39.806 38.000 0.202 0.000 1.250 1027 I HN 0.898 nan 8.210 nan 0.000 0.446 1028 G N 4.544 113.515 108.800 0.286 0.000 2.556 1028 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.283 1028 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.283 1028 G C -0.097 174.917 174.900 0.189 0.000 1.177 1028 G CA 0.273 45.489 45.100 0.194 0.000 0.978 1028 G HN 0.715 nan 8.290 nan 0.000 0.554 1029 I N 2.799 123.457 120.570 0.147 0.000 2.318 1029 I HA 0.451 4.621 4.170 -0.000 0.000 0.285 1029 I C 1.416 177.745 176.117 0.353 0.000 1.127 1029 I CA 0.606 61.946 61.300 0.066 0.000 1.243 1029 I CB 0.115 37.874 38.000 -0.401 0.000 1.498 1029 I HN 1.703 nan 8.210 nan 0.000 0.535 1030 G N 3.438 112.480 108.800 0.404 0.000 2.366 1030 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.299 1030 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.299 1030 G C 0.035 175.123 174.900 0.314 0.000 1.020 1030 G CA 0.137 45.494 45.100 0.428 0.000 1.026 1030 G HN 0.820 nan 8.290 nan 0.000 0.512 1031 H N -0.372 118.809 119.070 0.186 0.000 2.741 1031 H HA 0.537 5.103 4.556 0.016 0.000 0.282 1031 H C 0.721 176.057 175.328 0.013 0.000 1.122 1031 H CA -0.838 55.259 56.048 0.081 0.000 1.293 1031 H CB 0.487 30.322 29.762 0.121 0.000 1.415 1031 H HN 0.459 nan 8.280 nan 0.000 0.472 1032 L N 5.716 126.707 121.223 -0.386 0.000 2.455 1032 L HA 0.068 4.408 4.340 -0.000 0.000 0.272 1032 L C -0.061 176.581 176.870 -0.380 0.000 1.174 1032 L CA 0.008 54.668 54.840 -0.299 0.000 0.869 1032 L CB 0.445 42.363 42.059 -0.235 0.000 1.130 1032 L HN 0.828 nan 8.230 nan 0.000 0.474 1033 L N 3.560 124.695 121.223 -0.147 0.000 2.200 1033 L HA 0.221 4.561 4.340 -0.000 0.000 0.200 1033 L C 0.840 177.670 176.870 -0.067 0.000 1.072 1033 L CA 0.662 55.464 54.840 -0.064 0.000 0.787 1033 L CB 0.049 42.123 42.059 0.024 0.000 0.957 1033 L HN 0.765 nan 8.230 nan 0.000 0.459 1034 T N -2.104 112.424 114.554 -0.043 0.000 2.886 1034 T HA 0.193 4.543 4.350 -0.000 0.000 0.330 1034 T C -0.161 174.491 174.700 -0.080 0.000 1.488 1034 T CA -0.647 61.417 62.100 -0.061 0.000 1.054 1034 T CB 1.646 70.495 68.868 -0.031 0.000 1.348 1034 T HN -0.055 nan 8.240 nan 0.000 0.489 1035 K N 1.012 121.293 120.400 -0.199 0.000 2.366 1035 K HA 0.160 4.480 4.320 -0.000 0.000 0.198 1035 K C 1.026 177.620 176.600 -0.009 0.000 1.044 1035 K CA 0.141 56.212 56.287 -0.360 0.000 0.973 1035 K CB 0.103 32.314 32.500 -0.483 0.000 0.767 1035 K HN 0.449 nan 8.250 nan 0.000 0.475 1036 S N 1.794 117.513 115.700 0.032 0.000 2.560 1036 S HA 0.055 4.525 4.470 -0.000 0.000 0.284 1036 S C -2.069 172.656 174.600 0.208 0.000 1.327 1036 S CA -1.258 56.995 58.200 0.088 0.000 1.055 1036 S CB 0.567 63.786 63.200 0.032 0.000 0.868 1036 S HN 0.027 nan 8.310 nan 0.000 0.506 1037 P HA 0.205 nan 4.420 nan 0.000 0.243 1037 P C -0.751 176.711 177.300 0.270 0.000 1.672 1037 P CA -0.187 63.093 63.100 0.301 0.000 1.000 1037 P CB -0.076 31.731 31.700 0.178 0.000 1.562 1038 S N 0.816 116.586 115.700 0.118 0.000 2.566 1038 S HA 0.252 4.722 4.470 -0.000 0.000 0.324 1038 S C 0.849 175.275 174.600 -0.290 0.000 1.081 1038 S CA -0.687 57.497 58.200 -0.028 0.000 1.105 1038 S CB 0.614 63.799 63.200 -0.025 0.000 0.981 1038 S HN -0.051 nan 8.310 nan 0.000 0.464 1039 L N 5.793 126.788 121.223 -0.381 0.000 2.187 1039 L HA -0.013 4.327 4.340 -0.000 0.000 0.213 1039 L C 1.467 178.141 176.870 -0.327 0.000 1.100 1039 L CA 2.017 56.501 54.840 -0.594 0.000 0.765 1039 L CB -0.931 40.966 42.059 -0.270 0.000 0.904 1039 L HN 0.682 nan 8.230 nan 0.000 0.437 1040 N N 0.198 118.788 118.700 -0.183 0.000 2.188 1040 N HA -0.057 4.683 4.740 -0.000 0.000 0.184 1040 N C 1.870 177.313 175.510 -0.112 0.000 1.018 1040 N CA 1.439 54.420 53.050 -0.114 0.000 0.858 1040 N CB -0.547 37.900 38.487 -0.067 0.000 0.989 1040 N HN 0.511 nan 8.380 nan 0.000 0.426 1041 A N 0.730 123.474 122.820 -0.127 0.000 1.930 1041 A HA 0.094 4.414 4.320 -0.000 0.000 0.217 1041 A C 2.286 179.799 177.584 -0.118 0.000 1.175 1041 A CA 1.731 53.708 52.037 -0.099 0.000 0.627 1041 A CB -0.847 18.107 19.000 -0.077 0.000 0.815 1041 A HN 0.297 nan 8.150 nan 0.000 0.443 1042 A N -0.308 122.384 122.820 -0.212 0.000 1.930 1042 A HA -0.124 4.196 4.320 -0.000 0.000 0.217 1042 A C 2.115 179.631 177.584 -0.114 0.000 1.175 1042 A CA 1.700 53.620 52.037 -0.195 0.000 0.627 1042 A CB -0.380 18.375 19.000 -0.408 0.000 0.815 1042 A HN 0.504 nan 8.150 nan 0.000 0.443 1043 K N -0.511 119.815 120.400 -0.123 0.000 2.097 1043 K HA -0.092 4.228 4.320 -0.000 0.000 0.205 1043 K C 2.409 178.987 176.600 -0.038 0.000 1.050 1043 K CA 1.247 57.497 56.287 -0.063 0.000 0.938 1043 K CB -0.176 32.288 32.500 -0.060 0.000 0.718 1043 K HN 0.450 nan 8.250 nan 0.000 0.442 1044 S N 0.911 116.583 115.700 -0.046 0.000 2.368 1044 S HA -0.136 4.334 4.470 -0.000 0.000 0.225 1044 S C 1.754 176.345 174.600 -0.015 0.000 1.030 1044 S CA 1.200 59.383 58.200 -0.029 0.000 0.999 1044 S CB -0.019 63.161 63.200 -0.033 0.000 0.844 1044 S HN 0.208 nan 8.310 nan 0.000 0.459 1045 E N 0.820 121.011 120.200 -0.015 0.000 2.106 1045 E HA -0.069 4.281 4.350 -0.000 0.000 0.192 1045 E C 2.064 178.684 176.600 0.033 0.000 0.984 1045 E CA 0.621 57.026 56.400 0.008 0.000 0.806 1045 E CB -0.600 29.103 29.700 0.005 0.000 0.750 1045 E HN 0.439 nan 8.360 nan 0.000 0.458 1046 L N 2.036 123.277 121.223 0.031 0.000 2.017 1046 L HA -0.173 4.167 4.340 -0.000 0.000 0.208 1046 L C 1.539 178.423 176.870 0.024 0.000 1.073 1046 L CA 1.923 56.789 54.840 0.043 0.000 0.745 1046 L CB -0.576 41.507 42.059 0.040 0.000 0.894 1046 L HN -0.063 nan 8.230 nan 0.000 0.432 1047 D N 0.031 120.438 120.400 0.012 0.000 2.182 1047 D HA -0.185 4.455 4.640 -0.000 0.000 0.201 1047 D C 2.244 178.548 176.300 0.007 0.000 0.986 1047 D CA 1.834 55.838 54.000 0.007 0.000 0.847 1047 D CB -0.019 40.781 40.800 0.001 0.000 0.942 1047 D HN 0.529 nan 8.370 nan 0.000 0.467 1048 K N 0.881 121.287 120.400 0.009 0.000 2.116 1048 K HA 0.217 4.537 4.320 -0.000 0.000 0.203 1048 K C 2.098 178.706 176.600 0.013 0.000 1.052 1048 K CA 1.209 57.502 56.287 0.010 0.000 0.952 1048 K CB -0.688 31.818 32.500 0.009 0.000 0.729 1048 K HN 0.212 nan 8.250 nan 0.000 0.446 1049 A N 0.326 123.158 122.820 0.020 0.000 2.016 1049 A HA 0.169 4.489 4.320 -0.000 0.000 0.217 1049 A C 2.104 179.682 177.584 -0.010 0.000 1.162 1049 A CA 1.326 53.371 52.037 0.014 0.000 0.662 1049 A CB -0.049 18.973 19.000 0.036 0.000 0.812 1049 A HN 0.392 nan 8.150 nan 0.000 0.450 1050 I N -1.954 118.613 120.570 -0.005 0.000 2.927 1050 I HA 0.175 4.345 4.170 -0.000 0.000 0.268 1050 I C 1.734 177.850 176.117 -0.002 0.000 1.153 1050 I CA 1.442 62.737 61.300 -0.007 0.000 1.459 1050 I CB -1.341 36.657 38.000 -0.003 0.000 1.149 1050 I HN 0.488 nan 8.210 nan 0.000 0.443 1051 G N 2.680 111.480 108.800 0.001 0.000 2.131 1051 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.201 1051 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.201 1051 G C 0.290 175.191 174.900 0.002 0.000 1.000 1051 G CA 0.287 45.388 45.100 0.001 0.000 0.680 1051 G HN 0.615 nan 8.290 nan 0.000 0.514 1052 R N -2.001 118.501 120.500 0.003 0.000 2.733 1052 R HA 0.588 4.928 4.340 -0.000 0.000 0.272 1052 R C -1.038 175.264 176.300 0.004 0.000 1.029 1052 R CA -1.080 55.022 56.100 0.003 0.000 0.888 1052 R CB 0.177 30.479 30.300 0.003 0.000 1.251 1052 R HN -0.032 nan 8.270 nan 0.000 0.464 1053 N N 0.731 119.433 118.700 0.003 0.000 2.416 1053 N HA 0.057 4.797 4.740 -0.000 0.000 0.265 1053 N C 0.245 175.759 175.510 0.006 0.000 1.195 1053 N CA 0.530 53.582 53.050 0.004 0.000 0.943 1053 N CB 1.460 39.949 38.487 0.003 0.000 1.115 1053 N HN 0.736 nan 8.380 nan 0.000 0.481 1054 T N -1.411 113.148 114.554 0.008 0.000 3.042 1054 T HA 0.131 4.481 4.350 -0.000 0.000 0.245 1054 T C 0.490 175.198 174.700 0.014 0.000 1.029 1054 T CA -0.122 61.986 62.100 0.012 0.000 1.120 1054 T CB 0.030 68.908 68.868 0.017 0.000 0.917 1054 T HN 0.601 nan 8.240 nan 0.000 0.467 1055 N N 1.392 120.098 118.700 0.010 0.000 2.776 1055 N HA -0.183 4.556 4.740 -0.000 0.000 0.249 1055 N C 0.821 176.342 175.510 0.017 0.000 1.111 1055 N CA 0.378 53.434 53.050 0.011 0.000 0.711 1055 N CB -1.585 36.909 38.487 0.012 0.000 1.065 1055 N HN 0.970 nan 8.380 nan 0.000 0.556 1056 G N -1.371 107.441 108.800 0.020 0.000 2.143 1056 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.248 1056 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.248 1056 G C -0.181 174.750 174.900 0.052 0.000 0.991 1056 G CA 0.418 45.538 45.100 0.034 0.000 0.689 1056 G HN 0.437 nan 8.290 nan 0.000 0.522 1057 V N 1.141 121.081 119.914 0.043 0.000 2.760 1057 V HA 0.790 4.910 4.120 -0.000 0.000 0.309 1057 V C 0.227 176.345 176.094 0.039 0.000 1.077 1057 V CA -0.372 61.956 62.300 0.046 0.000 0.910 1057 V CB 2.079 33.925 31.823 0.038 0.000 1.008 1057 V HN 0.745 nan 8.190 nan 0.000 0.424 1058 I N 1.116 121.711 120.570 0.043 0.000 3.145 1058 I HA 0.851 5.021 4.170 -0.000 0.000 0.313 1058 I C 0.187 176.321 176.117 0.029 0.000 1.122 1058 I CA -0.710 60.611 61.300 0.034 0.000 0.987 1058 I CB 2.448 40.471 38.000 0.038 0.000 1.236 1058 I HN 0.630 nan 8.210 nan 0.000 0.453 1059 T N -1.292 113.275 114.554 0.022 0.000 2.847 1059 T HA 0.302 4.652 4.350 -0.000 0.000 0.279 1059 T C 0.701 175.412 174.700 0.019 0.000 0.984 1059 T CA -0.558 61.553 62.100 0.017 0.000 0.988 1059 T CB 1.669 70.545 68.868 0.014 0.000 1.040 1059 T HN 0.873 nan 8.240 nan 0.000 0.528 1060 K N -0.005 120.403 120.400 0.014 0.000 2.211 1060 K HA -0.130 4.190 4.320 -0.000 0.000 0.203 1060 K C 1.162 177.773 176.600 0.019 0.000 1.050 1060 K CA 1.593 57.888 56.287 0.013 0.000 0.945 1060 K CB -0.313 32.191 32.500 0.007 0.000 0.732 1060 K HN 0.649 nan 8.250 nan 0.000 0.451 1061 D N 0.411 120.821 120.400 0.018 0.000 2.144 1061 D HA -0.131 4.509 4.640 -0.000 0.000 0.200 1061 D C 1.403 177.715 176.300 0.020 0.000 0.978 1061 D CA 1.161 55.171 54.000 0.018 0.000 0.833 1061 D CB 0.043 40.851 40.800 0.014 0.000 0.961 1061 D HN 0.330 nan 8.370 nan 0.000 0.470 1062 E N 0.228 120.439 120.200 0.018 0.000 2.152 1062 E HA 0.016 4.366 4.350 -0.000 0.000 0.192 1062 E C 2.038 178.649 176.600 0.020 0.000 0.983 1062 E CA 0.793 57.202 56.400 0.014 0.000 0.818 1062 E CB -0.011 29.696 29.700 0.012 0.000 0.758 1062 E HN 0.247 nan 8.360 nan 0.000 0.467 1063 A N 1.046 123.887 122.820 0.034 0.000 2.014 1063 A HA -0.175 4.145 4.320 -0.000 0.000 0.218 1063 A C 1.974 179.618 177.584 0.100 0.000 1.163 1063 A CA 1.022 53.092 52.037 0.055 0.000 0.652 1063 A CB -0.232 18.799 19.000 0.052 0.000 0.808 1063 A HN 0.167 nan 8.150 nan 0.000 0.449 1064 E N -0.001 120.253 120.200 0.089 0.000 2.106 1064 E HA -0.178 4.172 4.350 -0.000 0.000 0.192 1064 E C 1.648 178.337 176.600 0.149 0.000 0.984 1064 E CA 1.257 57.738 56.400 0.135 0.000 0.806 1064 E CB -0.014 29.728 29.700 0.070 0.000 0.750 1064 E HN 0.617 nan 8.360 nan 0.000 0.458 1065 K N -0.169 120.279 120.400 0.080 0.000 2.305 1065 K HA 0.050 4.370 4.320 -0.000 0.000 0.199 1065 K C 2.004 178.638 176.600 0.057 0.000 1.047 1065 K CA 0.158 56.475 56.287 0.050 0.000 0.976 1065 K CB 0.242 32.751 32.500 0.015 0.000 0.765 1065 K HN 0.124 nan 8.250 nan 0.000 0.474 1066 L N -0.117 121.140 121.223 0.056 0.000 2.072 1066 L HA -0.121 4.218 4.340 -0.000 0.000 0.205 1066 L C 2.184 179.178 176.870 0.206 0.000 1.079 1066 L CA 0.906 55.750 54.840 0.006 0.000 0.752 1066 L CB -0.304 41.657 42.059 -0.165 0.000 0.906 1066 L HN 0.133 nan 8.230 nan 0.000 0.436 1067 F N 1.628 121.655 119.950 0.129 0.000 2.095 1067 F HA -0.241 4.268 4.527 -0.030 0.000 0.298 1067 F C 2.288 178.242 175.800 0.256 0.000 1.104 1067 F CA 1.642 59.787 58.000 0.241 0.000 1.232 1067 F CB -0.474 38.637 39.000 0.185 0.000 0.987 1067 F HN 0.112 nan 8.300 nan 0.000 0.475 1068 N N 0.226 118.990 118.700 0.107 0.000 2.223 1068 N HA -0.151 4.589 4.740 -0.000 0.000 0.185 1068 N C 1.810 177.348 175.510 0.048 0.000 1.016 1068 N CA 1.274 54.334 53.050 0.017 0.000 0.863 1068 N CB -0.401 38.078 38.487 -0.013 0.000 0.983 1068 N HN 0.508 nan 8.380 nan 0.000 0.429 1069 Q N -0.085 119.757 119.800 0.069 0.000 2.137 1069 Q HA -0.044 4.296 4.340 -0.000 0.000 0.198 1069 Q C 0.899 176.955 176.000 0.092 0.000 0.960 1069 Q CA 0.876 56.718 55.803 0.065 0.000 0.847 1069 Q CB 0.117 28.885 28.738 0.051 0.000 0.915 1069 Q HN 0.298 nan 8.270 nan 0.000 0.448 1070 D N -0.172 120.327 120.400 0.165 0.000 2.144 1070 D HA -0.117 4.523 4.640 -0.000 0.000 0.199 1070 D C 1.845 178.276 176.300 0.219 0.000 0.984 1070 D CA 0.886 55.018 54.000 0.220 0.000 0.834 1070 D CB 0.045 41.098 40.800 0.422 0.000 0.955 1070 D HN 0.039 nan 8.370 nan 0.000 0.465 1071 V N 0.614 120.602 119.914 0.123 0.000 2.453 1071 V HA -0.172 3.947 4.120 -0.000 0.000 0.247 1071 V C 1.767 177.853 176.094 -0.013 0.000 1.048 1071 V CA 1.413 63.705 62.300 -0.014 0.000 1.049 1071 V CB -0.412 31.207 31.823 -0.341 0.000 0.672 1071 V HN 0.031 nan 8.190 nan 0.000 0.457 1072 D N 0.512 120.923 120.400 0.019 0.000 2.104 1072 D HA -0.171 4.469 4.640 -0.000 0.000 0.194 1072 D C 2.201 178.502 176.300 0.001 0.000 0.994 1072 D CA 1.682 55.691 54.000 0.015 0.000 0.830 1072 D CB -0.201 40.616 40.800 0.028 0.000 0.959 1072 D HN 0.415 nan 8.370 nan 0.000 0.452 1073 A N 0.447 123.276 122.820 0.016 0.000 1.902 1073 A HA -0.016 4.304 4.320 -0.000 0.000 0.217 1073 A C 2.244 179.817 177.584 -0.018 0.000 1.181 1073 A CA 1.971 54.008 52.037 0.001 0.000 0.623 1073 A CB -0.899 18.107 19.000 0.010 0.000 0.818 1073 A HN 0.258 nan 8.150 nan 0.000 0.443 1074 A N -0.664 122.157 122.820 0.001 0.000 1.930 1074 A HA 0.043 4.363 4.320 -0.000 0.000 0.217 1074 A C 2.212 179.747 177.584 -0.081 0.000 1.175 1074 A CA 1.718 53.747 52.037 -0.014 0.000 0.627 1074 A CB -0.771 18.270 19.000 0.069 0.000 0.815 1074 A HN 0.359 nan 8.150 nan 0.000 0.443 1075 V N -0.285 119.570 119.914 -0.097 0.000 2.307 1075 V HA -0.224 3.896 4.120 -0.000 0.000 0.245 1075 V C 2.592 178.591 176.094 -0.159 0.000 1.045 1075 V CA 2.186 64.379 62.300 -0.177 0.000 1.024 1075 V CB -0.753 30.999 31.823 -0.118 0.000 0.651 1075 V HN 0.517 nan 8.190 nan 0.000 0.449 1076 R N 0.208 120.656 120.500 -0.086 0.000 2.120 1076 R HA -0.084 4.255 4.340 -0.000 0.000 0.234 1076 R C 2.399 178.657 176.300 -0.070 0.000 1.123 1076 R CA 1.336 57.398 56.100 -0.064 0.000 0.975 1076 R CB -0.743 29.537 30.300 -0.034 0.000 0.866 1076 R HN 0.598 nan 8.270 nan 0.000 0.446 1077 G N 0.848 109.603 108.800 -0.074 0.000 2.402 1077 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.216 1077 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.216 1077 G C 1.401 176.247 174.900 -0.090 0.000 1.162 1077 G CA 0.559 45.618 45.100 -0.069 0.000 0.777 1077 G HN 0.166 nan 8.290 nan 0.000 0.539 1078 I N 0.570 121.052 120.570 -0.147 0.000 2.163 1078 I HA -0.179 3.991 4.170 -0.000 0.000 0.243 1078 I C 2.452 178.481 176.117 -0.148 0.000 1.085 1078 I CA 1.013 62.195 61.300 -0.197 0.000 1.347 1078 I CB -0.127 37.619 38.000 -0.423 0.000 1.044 1078 I HN 0.120 nan 8.210 nan 0.000 0.408 1079 L N -0.283 120.857 121.223 -0.140 0.000 2.492 1079 L HA -0.024 4.316 4.340 -0.000 0.000 0.223 1079 L C 2.486 179.334 176.870 -0.037 0.000 1.132 1079 L CA 0.500 55.300 54.840 -0.068 0.000 0.850 1079 L CB -0.499 41.530 42.059 -0.049 0.000 0.966 1079 L HN 0.182 nan 8.230 nan 0.000 0.454 1080 R N 0.475 120.949 120.500 -0.044 0.000 2.140 1080 R HA 0.012 4.352 4.340 -0.000 0.000 0.213 1080 R C 1.071 177.358 176.300 -0.023 0.000 1.059 1080 R CA 0.104 56.187 56.100 -0.028 0.000 1.000 1080 R CB 0.238 30.519 30.300 -0.030 0.000 0.910 1080 R HN 0.282 nan 8.270 nan 0.000 0.455 1081 N N 0.241 118.924 118.700 -0.029 0.000 2.520 1081 N HA -0.008 4.732 4.740 -0.000 0.000 0.273 1081 N C 0.447 175.951 175.510 -0.009 0.000 1.155 1081 N CA 0.456 53.495 53.050 -0.019 0.000 0.967 1081 N CB 1.685 40.159 38.487 -0.022 0.000 1.092 1081 N HN 0.244 nan 8.380 nan 0.000 0.457 1082 A N 5.050 127.868 122.820 -0.003 0.000 1.877 1082 A HA -0.125 4.195 4.320 -0.000 0.000 0.216 1082 A C 2.037 179.626 177.584 0.008 0.000 1.186 1082 A CA 1.299 53.337 52.037 0.003 0.000 0.620 1082 A CB -0.196 18.805 19.000 0.001 0.000 0.822 1082 A HN 0.803 nan 8.150 nan 0.000 0.443 1083 K N -0.709 119.696 120.400 0.008 0.000 2.167 1083 K HA 0.117 4.436 4.320 -0.000 0.000 0.203 1083 K C 1.787 178.400 176.600 0.023 0.000 1.052 1083 K CA 0.907 57.203 56.287 0.015 0.000 0.956 1083 K CB -0.203 32.307 32.500 0.016 0.000 0.735 1083 K HN 0.472 nan 8.250 nan 0.000 0.451 1084 L N 0.525 121.758 121.223 0.017 0.000 2.209 1084 L HA -0.063 4.277 4.340 -0.000 0.000 0.207 1084 L C 2.413 179.311 176.870 0.047 0.000 1.094 1084 L CA 0.646 55.500 54.840 0.024 0.000 0.790 1084 L CB -0.274 41.781 42.059 -0.007 0.000 0.932 1084 L HN 0.095 nan 8.230 nan 0.000 0.447 1085 K N 0.810 121.230 120.400 0.033 0.000 2.034 1085 K HA -0.202 4.117 4.320 -0.000 0.000 0.214 1085 K C -0.501 176.161 176.600 0.105 0.000 1.051 1085 K CA 2.023 58.345 56.287 0.058 0.000 0.931 1085 K CB -0.778 31.742 32.500 0.033 0.000 0.715 1085 K HN 0.150 nan 8.250 nan 0.000 0.446 1086 P HA -0.126 nan 4.420 nan 0.000 0.215 1086 P C 1.395 178.748 177.300 0.090 0.000 1.157 1086 P CA 1.097 64.238 63.100 0.070 0.000 0.863 1086 P CB 0.002 31.727 31.700 0.042 0.000 0.787 1087 V N -0.823 119.148 119.914 0.095 0.000 2.231 1087 V HA -0.322 3.798 4.120 -0.000 0.000 0.250 1087 V C 2.367 178.558 176.094 0.162 0.000 1.058 1087 V CA 2.146 64.512 62.300 0.109 0.000 1.022 1087 V CB -1.692 30.189 31.823 0.097 0.000 0.640 1087 V HN 0.012 nan 8.190 nan 0.000 0.445 1088 Y N 1.523 121.855 120.300 0.053 0.000 2.102 1088 Y HA -0.307 4.242 4.550 -0.002 0.000 0.280 1088 Y C 2.504 178.433 175.900 0.048 0.000 1.178 1088 Y CA 2.149 60.282 58.100 0.054 0.000 1.146 1088 Y CB -0.587 37.894 38.460 0.034 0.000 0.968 1088 Y HN 0.367 nan 8.280 nan 0.000 0.504 1089 D N -0.846 119.607 120.400 0.089 0.000 2.123 1089 D HA -0.195 4.444 4.640 -0.000 0.000 0.196 1089 D C 2.403 178.689 176.300 -0.023 0.000 0.992 1089 D CA 1.869 55.869 54.000 0.001 0.000 0.833 1089 D CB -0.620 40.214 40.800 0.055 0.000 0.954 1089 D HN 0.504 nan 8.370 nan 0.000 0.455 1090 S N -0.051 115.663 115.700 0.023 0.000 2.469 1090 S HA -0.083 4.387 4.470 -0.000 0.000 0.238 1090 S C 1.118 175.755 174.600 0.061 0.000 0.998 1090 S CA 0.194 58.420 58.200 0.042 0.000 0.957 1090 S CB -0.331 62.905 63.200 0.060 0.000 0.764 1090 S HN 0.128 nan 8.310 nan 0.000 0.514 1091 L N 3.001 124.235 121.223 0.019 0.000 2.357 1091 L HA 0.363 4.703 4.340 -0.000 0.000 0.273 1091 L C 0.094 176.913 176.870 -0.086 0.000 1.080 1091 L CA -0.991 53.862 54.840 0.022 0.000 0.803 1091 L CB 0.671 42.750 42.059 0.033 0.000 1.174 1091 L HN 0.352 nan 8.230 nan 0.000 0.443 1092 D N 1.789 122.141 120.400 -0.081 0.000 2.368 1092 D HA 0.036 4.676 4.640 -0.000 0.000 0.240 1092 D C 0.882 177.074 176.300 -0.180 0.000 1.169 1092 D CA -0.188 53.738 54.000 -0.124 0.000 0.906 1092 D CB 1.340 42.062 40.800 -0.132 0.000 1.187 1092 D HN 0.603 nan 8.370 nan 0.000 0.435 1093 A N 1.628 124.355 122.820 -0.154 0.000 2.042 1093 A HA -0.169 4.151 4.320 -0.000 0.000 0.222 1093 A C 2.141 179.619 177.584 -0.175 0.000 1.167 1093 A CA 1.698 53.652 52.037 -0.139 0.000 0.649 1093 A CB -0.677 18.283 19.000 -0.067 0.000 0.809 1093 A HN 0.482 nan 8.150 nan 0.000 0.457 1094 V N -0.651 119.094 119.914 -0.282 0.000 2.302 1094 V HA -0.172 3.948 4.120 -0.000 0.000 0.243 1094 V C 2.467 178.234 176.094 -0.544 0.000 1.036 1094 V CA 1.830 63.810 62.300 -0.534 0.000 1.020 1094 V CB -0.833 30.539 31.823 -0.752 0.000 0.657 1094 V HN 0.503 nan 8.190 nan 0.000 0.453 1095 R N 0.017 120.259 120.500 -0.430 0.000 2.120 1095 R HA -0.071 4.269 4.340 -0.000 0.000 0.234 1095 R C 2.538 178.694 176.300 -0.239 0.000 1.123 1095 R CA 1.104 56.979 56.100 -0.376 0.000 0.975 1095 R CB -0.336 29.847 30.300 -0.195 0.000 0.866 1095 R HN 0.477 nan 8.270 nan 0.000 0.446 1096 R N 0.387 120.784 120.500 -0.172 0.000 2.103 1096 R HA -0.144 4.196 4.340 -0.000 0.000 0.242 1096 R C 2.301 178.600 176.300 -0.001 0.000 1.142 1096 R CA 1.607 57.659 56.100 -0.080 0.000 0.960 1096 R CB -0.381 29.752 30.300 -0.278 0.000 0.858 1096 R HN 0.215 nan 8.270 nan 0.000 0.439 1097 A N 1.004 123.747 122.820 -0.128 0.000 1.930 1097 A HA -0.060 4.260 4.320 -0.000 0.000 0.217 1097 A C 2.348 179.835 177.584 -0.162 0.000 1.175 1097 A CA 1.496 53.474 52.037 -0.099 0.000 0.627 1097 A CB -0.500 18.493 19.000 -0.012 0.000 0.815 1097 A HN 0.401 nan 8.150 nan 0.000 0.443 1098 A N -0.369 122.236 122.820 -0.359 0.000 1.877 1098 A HA -0.052 4.268 4.320 -0.000 0.000 0.216 1098 A C 2.114 179.521 177.584 -0.294 0.000 1.186 1098 A CA 1.729 53.461 52.037 -0.509 0.000 0.620 1098 A CB -0.662 17.598 19.000 -1.232 0.000 0.822 1098 A HN 0.607 nan 8.150 nan 0.000 0.443 1099 L N 0.123 121.277 121.223 -0.115 0.000 2.012 1099 L HA -0.170 4.170 4.340 -0.000 0.000 0.210 1099 L C 2.279 179.193 176.870 0.074 0.000 1.073 1099 L CA 1.937 56.901 54.840 0.207 0.000 0.748 1099 L CB -0.515 41.766 42.059 0.371 0.000 0.891 1099 L HN 0.465 nan 8.230 nan 0.000 0.431 1100 I N -0.508 120.090 120.570 0.046 0.000 2.163 1100 I HA -0.332 3.838 4.170 -0.000 0.000 0.243 1100 I C 2.421 178.557 176.117 0.033 0.000 1.085 1100 I CA 1.503 62.806 61.300 0.005 0.000 1.347 1100 I CB -0.792 37.186 38.000 -0.036 0.000 1.044 1100 I HN 0.430 nan 8.210 nan 0.000 0.408 1101 N N 1.356 120.057 118.700 0.002 0.000 2.049 1101 N HA -0.256 4.484 4.740 -0.000 0.000 0.198 1101 N C 1.934 177.524 175.510 0.135 0.000 1.030 1101 N CA 2.142 55.222 53.050 0.050 0.000 0.870 1101 N CB -0.190 38.316 38.487 0.032 0.000 1.045 1101 N HN 0.309 nan 8.380 nan 0.000 0.434 1102 M N -0.083 119.546 119.600 0.047 0.000 2.080 1102 M HA -0.145 4.335 4.480 -0.000 0.000 0.260 1102 M C 2.207 178.485 176.300 -0.037 0.000 1.068 1102 M CA 1.240 56.492 55.300 -0.080 0.000 1.109 1102 M CB -0.243 32.183 32.600 -0.291 0.000 1.342 1102 M HN -0.045 nan 8.290 nan 0.000 0.405 1103 V N -0.340 119.574 119.914 0.000 0.000 2.626 1103 V HA -0.240 3.880 4.120 -0.000 0.000 0.252 1103 V C 2.045 178.178 176.094 0.065 0.000 1.067 1103 V CA 1.492 63.796 62.300 0.007 0.000 1.081 1103 V CB -0.928 30.887 31.823 -0.014 0.000 0.686 1103 V HN 0.352 nan 8.190 nan 0.000 0.468 1104 F N 0.803 120.749 119.950 -0.008 0.000 2.134 1104 F HA -0.213 4.308 4.527 -0.009 0.000 0.299 1104 F C 2.547 178.382 175.800 0.059 0.000 1.097 1104 F CA 2.304 60.326 58.000 0.037 0.000 1.264 1104 F CB -0.045 38.999 39.000 0.072 0.000 1.001 1104 F HN 0.113 nan 8.300 nan 0.000 0.479 1105 Q N -0.703 119.239 119.800 0.237 0.000 2.187 1105 Q HA -0.079 4.261 4.340 -0.000 0.000 0.199 1105 Q C 1.638 177.681 176.000 0.070 0.000 0.957 1105 Q CA 1.425 57.336 55.803 0.180 0.000 0.857 1105 Q CB 0.136 29.031 28.738 0.263 0.000 0.929 1105 Q HN 0.490 nan 8.270 nan 0.000 0.453 1106 M N -1.501 118.112 119.600 0.021 0.000 2.296 1106 M HA 0.278 4.758 4.480 -0.000 0.000 0.291 1106 M C 0.319 176.612 176.300 -0.012 0.000 1.013 1106 M CA 0.415 55.721 55.300 0.010 0.000 1.089 1106 M CB 2.078 34.673 32.600 -0.008 0.000 1.677 1106 M HN 0.219 nan 8.290 nan 0.000 0.584 1107 G N 1.328 110.109 108.800 -0.031 0.000 2.758 1107 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.686 1107 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.686 1107 G C -0.175 174.710 174.900 -0.025 0.000 1.389 1107 G CA -0.288 44.789 45.100 -0.039 0.000 0.845 1107 G HN 0.367 nan 8.290 nan 0.000 0.572 1108 E N -0.169 120.013 120.200 -0.029 0.000 2.031 1108 E HA -0.019 4.331 4.350 -0.000 0.000 0.193 1108 E C 2.778 179.374 176.600 -0.006 0.000 0.994 1108 E CA 2.086 58.472 56.400 -0.023 0.000 0.800 1108 E CB -0.478 29.203 29.700 -0.032 0.000 0.752 1108 E HN 0.573 nan 8.360 nan 0.000 0.447 1109 T N 0.174 114.724 114.554 -0.008 0.000 2.665 1109 T HA -0.199 4.151 4.350 -0.000 0.000 0.268 1109 T C 1.899 176.608 174.700 0.014 0.000 1.035 1109 T CA 1.652 63.751 62.100 -0.001 0.000 1.151 1109 T CB -0.818 68.044 68.868 -0.009 0.000 0.862 1109 T HN 0.449 nan 8.240 nan 0.000 0.438 1110 G N 0.379 109.192 108.800 0.021 0.000 2.418 1110 G HA2 -0.143 3.817 3.960 -0.000 0.000 0.217 1110 G HA3 -0.143 3.817 3.960 -0.000 0.000 0.217 1110 G C 1.680 176.654 174.900 0.124 0.000 1.158 1110 G CA 0.857 45.987 45.100 0.050 0.000 0.771 1110 G HN 0.463 nan 8.290 nan 0.000 0.545 1111 V N 1.336 121.311 119.914 0.102 0.000 2.548 1111 V HA 0.018 4.138 4.120 -0.000 0.000 0.249 1111 V C 3.168 179.373 176.094 0.186 0.000 1.055 1111 V CA 1.548 63.928 62.300 0.134 0.000 1.065 1111 V CB -0.442 31.361 31.823 -0.034 0.000 0.681 1111 V HN 0.437 nan 8.190 nan 0.000 0.462 1112 A N 0.601 123.478 122.820 0.095 0.000 2.216 1112 A HA 0.020 4.339 4.320 -0.000 0.000 0.214 1112 A C 2.230 179.858 177.584 0.074 0.000 1.160 1112 A CA 1.342 53.421 52.037 0.071 0.000 0.725 1112 A CB -0.739 18.279 19.000 0.030 0.000 0.784 1112 A HN 0.532 nan 8.150 nan 0.000 0.472 1113 G N -1.527 107.318 108.800 0.076 0.000 2.572 1113 G HA2 0.053 4.013 3.960 -0.000 0.000 0.216 1113 G HA3 0.053 4.013 3.960 -0.000 0.000 0.216 1113 G C 0.490 175.333 174.900 -0.095 0.000 1.133 1113 G CA 0.052 45.130 45.100 -0.036 0.000 0.791 1113 G HN 0.425 nan 8.290 nan 0.000 0.538 1114 F N 2.490 122.424 119.950 -0.026 0.000 2.783 1114 F HA 0.187 4.714 4.527 0.000 0.000 0.338 1114 F C 2.006 177.793 175.800 -0.023 0.000 1.178 1114 F CA -0.034 57.954 58.000 -0.019 0.000 1.343 1114 F CB -0.352 38.624 39.000 -0.039 0.000 1.496 1114 F HN -0.053 nan 8.300 nan 0.000 0.583 1115 T N -1.707 112.891 114.554 0.074 0.000 2.788 1115 T HA -0.216 4.134 4.350 -0.000 0.000 0.268 1115 T C 2.100 176.824 174.700 0.040 0.000 1.044 1115 T CA 1.284 63.411 62.100 0.045 0.000 1.139 1115 T CB -0.090 68.785 68.868 0.012 0.000 0.867 1115 T HN 0.350 nan 8.240 nan 0.000 0.454 1116 N N 1.300 120.024 118.700 0.040 0.000 2.069 1116 N HA -0.067 4.673 4.740 -0.000 0.000 0.191 1116 N C 2.188 177.720 175.510 0.038 0.000 1.031 1116 N CA 1.520 54.589 53.050 0.032 0.000 0.852 1116 N CB -0.358 38.148 38.487 0.030 0.000 1.018 1116 N HN 0.370 nan 8.380 nan 0.000 0.423 1117 S N 1.238 116.985 115.700 0.078 0.000 2.387 1117 S HA 0.052 4.522 4.470 -0.000 0.000 0.226 1117 S C 2.189 176.778 174.600 -0.019 0.000 1.026 1117 S CA 0.440 58.667 58.200 0.046 0.000 0.972 1117 S CB -0.194 63.067 63.200 0.101 0.000 0.814 1117 S HN 0.237 nan 8.310 nan 0.000 0.477 1118 L N 1.124 122.350 121.223 0.006 0.000 2.201 1118 L HA -0.010 4.330 4.340 -0.000 0.000 0.212 1118 L C 2.779 179.638 176.870 -0.018 0.000 1.105 1118 L CA 0.897 55.726 54.840 -0.018 0.000 0.775 1118 L CB -0.335 41.735 42.059 0.019 0.000 0.913 1118 L HN 0.245 nan 8.230 nan 0.000 0.440 1119 R N -0.019 120.473 120.500 -0.013 0.000 2.115 1119 R HA -0.124 4.216 4.340 -0.000 0.000 0.230 1119 R C 2.069 178.338 176.300 -0.051 0.000 1.111 1119 R CA 1.326 57.412 56.100 -0.024 0.000 0.976 1119 R CB 0.022 30.311 30.300 -0.018 0.000 0.870 1119 R HN 0.361 nan 8.270 nan 0.000 0.445 1120 M N -0.435 119.128 119.600 -0.061 0.000 2.534 1120 M HA 0.031 4.511 4.480 -0.000 0.000 0.263 1120 M C 1.920 178.127 176.300 -0.155 0.000 1.152 1120 M CA 0.506 55.743 55.300 -0.104 0.000 1.145 1120 M CB 0.277 32.830 32.600 -0.079 0.000 1.333 1120 M HN 0.078 nan 8.290 nan 0.000 0.477 1121 L N 0.127 121.302 121.223 -0.079 0.000 2.083 1121 L HA -0.215 4.125 4.340 -0.000 0.000 0.209 1121 L C 2.571 179.440 176.870 -0.001 0.000 1.083 1121 L CA 1.382 56.242 54.840 0.034 0.000 0.752 1121 L CB -0.622 41.444 42.059 0.012 0.000 0.899 1121 L HN 0.418 nan 8.230 nan 0.000 0.433 1122 Q N 0.197 119.978 119.800 -0.032 0.000 2.119 1122 Q HA -0.218 4.122 4.340 -0.000 0.000 0.201 1122 Q C 1.771 177.709 176.000 -0.103 0.000 0.972 1122 Q CA 1.334 57.120 55.803 -0.029 0.000 0.847 1122 Q CB 0.135 28.864 28.738 -0.015 0.000 0.903 1122 Q HN 0.527 nan 8.270 nan 0.000 0.433 1123 Q N -0.293 119.405 119.800 -0.169 0.000 2.280 1123 Q HA 0.078 4.418 4.340 -0.000 0.000 0.202 1123 Q C -0.441 175.327 176.000 -0.387 0.000 0.903 1123 Q CA -0.026 55.651 55.803 -0.210 0.000 0.948 1123 Q CB 0.522 29.164 28.738 -0.161 0.000 1.058 1123 Q HN 0.218 nan 8.270 nan 0.000 0.493 1124 K N 0.127 120.139 120.400 -0.646 0.000 3.130 1124 K HA -0.219 4.101 4.320 -0.000 0.000 0.282 1124 K C -0.656 175.028 176.600 -1.526 0.000 1.145 1124 K CA 0.752 56.193 56.287 -1.412 0.000 0.831 1124 K CB -1.045 31.007 32.500 -0.747 0.000 1.226 1124 K HN 0.277 nan 8.250 nan 0.000 0.478 1125 R N 0.217 120.208 120.500 -0.848 0.000 2.593 1125 R HA 0.088 4.428 4.340 -0.000 0.000 0.282 1125 R C 0.631 176.770 176.300 -0.268 0.000 1.300 1125 R CA -0.227 55.586 56.100 -0.478 0.000 1.221 1125 R CB -0.184 29.967 30.300 -0.248 0.000 1.157 1125 R HN 0.267 nan 8.270 nan 0.000 0.555 1126 W N 0.874 122.175 121.300 0.002 0.000 2.409 1126 W HA -0.074 4.587 4.660 0.001 0.000 0.299 1126 W C 1.253 177.784 176.519 0.021 0.000 1.203 1126 W CA 0.145 57.498 57.345 0.014 0.000 1.298 1126 W CB 0.189 29.666 29.460 0.029 0.000 1.127 1126 W HN 0.435 nan 8.180 nan 0.000 0.528 1127 D N 0.215 120.748 120.400 0.222 0.000 2.317 1127 D HA -0.091 4.549 4.640 -0.000 0.000 0.211 1127 D C 1.527 177.882 176.300 0.091 0.000 0.966 1127 D CA 0.999 55.085 54.000 0.144 0.000 0.876 1127 D CB -0.029 40.835 40.800 0.107 0.000 0.927 1127 D HN 0.420 nan 8.370 nan 0.000 0.519 1128 E N 0.688 120.924 120.200 0.059 0.000 2.170 1128 E HA 0.014 4.364 4.350 -0.000 0.000 0.191 1128 E C 2.062 178.685 176.600 0.039 0.000 0.981 1128 E CA 0.300 56.718 56.400 0.029 0.000 0.830 1128 E CB 0.215 29.909 29.700 -0.010 0.000 0.775 1128 E HN 0.101 nan 8.360 nan 0.000 0.470 1129 A N 1.602 124.454 122.820 0.053 0.000 1.897 1129 A HA -0.012 4.307 4.320 -0.000 0.000 0.215 1129 A C 2.407 180.042 177.584 0.085 0.000 1.181 1129 A CA 1.378 53.444 52.037 0.047 0.000 0.620 1129 A CB -0.562 18.451 19.000 0.022 0.000 0.821 1129 A HN 0.262 nan 8.150 nan 0.000 0.443 1130 A N -0.512 122.382 122.820 0.124 0.000 1.978 1130 A HA -0.033 4.287 4.320 -0.000 0.000 0.220 1130 A C 2.197 179.855 177.584 0.123 0.000 1.170 1130 A CA 1.879 54.008 52.037 0.153 0.000 0.636 1130 A CB -0.810 18.288 19.000 0.164 0.000 0.810 1130 A HN 0.375 nan 8.150 nan 0.000 0.448 1131 V N 0.207 120.172 119.914 0.085 0.000 2.379 1131 V HA -0.238 3.882 4.120 -0.000 0.000 0.245 1131 V C 2.071 178.198 176.094 0.055 0.000 1.044 1131 V CA 2.227 64.557 62.300 0.049 0.000 1.036 1131 V CB -0.958 30.884 31.823 0.032 0.000 0.664 1131 V HN 0.653 nan 8.190 nan 0.000 0.453 1132 N N -0.309 118.439 118.700 0.081 0.000 2.396 1132 N HA -0.004 4.736 4.740 -0.000 0.000 0.180 1132 N C 1.631 177.265 175.510 0.207 0.000 1.028 1132 N CA 0.640 53.756 53.050 0.110 0.000 0.893 1132 N CB -0.044 38.501 38.487 0.096 0.000 0.967 1132 N HN 0.391 nan 8.380 nan 0.000 0.440 1133 L N -0.242 121.125 121.223 0.241 0.000 2.270 1133 L HA 0.099 4.439 4.340 -0.000 0.000 0.210 1133 L C 2.289 179.398 176.870 0.398 0.000 1.104 1133 L CA 0.303 55.384 54.840 0.402 0.000 0.804 1133 L CB -0.218 42.074 42.059 0.388 0.000 0.937 1133 L HN 0.173 nan 8.230 nan 0.000 0.450 1134 A N 0.057 122.976 122.820 0.167 0.000 1.968 1134 A HA -0.095 4.225 4.320 -0.000 0.000 0.217 1134 A C 1.365 178.822 177.584 -0.211 0.000 1.169 1134 A CA 0.765 52.691 52.037 -0.186 0.000 0.638 1134 A CB -0.227 18.557 19.000 -0.360 0.000 0.812 1134 A HN 0.250 nan 8.150 nan 0.000 0.446 1135 K N 1.799 122.189 120.400 -0.017 0.000 2.480 1135 K HA 0.216 4.536 4.320 -0.000 0.000 0.241 1135 K C -0.458 176.209 176.600 0.111 0.000 1.261 1135 K CA 0.290 56.584 56.287 0.011 0.000 1.193 1135 K CB -0.266 32.245 32.500 0.018 0.000 1.598 1135 K HN 0.518 nan 8.250 nan 0.000 0.278 1136 S N -0.967 114.834 115.700 0.169 0.000 2.607 1136 S HA 0.322 4.792 4.470 -0.000 0.000 0.273 1136 S C 0.438 175.192 174.600 0.258 0.000 1.148 1136 S CA -1.171 57.193 58.200 0.272 0.000 0.833 1136 S CB 2.005 65.570 63.200 0.609 0.000 1.130 1136 S HN 0.450 nan 8.310 nan 0.000 0.470 1137 R N -0.242 120.398 120.500 0.233 0.000 2.115 1137 R HA 0.012 4.352 4.340 -0.000 0.000 0.230 1137 R C 1.797 178.289 176.300 0.320 0.000 1.111 1137 R CA 1.649 57.878 56.100 0.215 0.000 0.976 1137 R CB -0.437 29.954 30.300 0.153 0.000 0.870 1137 R HN 0.788 nan 8.270 nan 0.000 0.445 1138 W N 0.167 121.613 121.300 0.244 0.000 2.358 1138 W HA -0.238 4.421 4.660 -0.002 0.000 0.303 1138 W C 1.590 178.243 176.519 0.223 0.000 1.208 1138 W CA 1.440 58.941 57.345 0.259 0.000 1.274 1138 W CB -0.793 28.902 29.460 0.392 0.000 1.138 1138 W HN 0.142 nan 8.180 nan 0.000 0.515 1139 Y N 1.546 121.823 120.300 -0.039 0.000 2.181 1139 Y HA -0.276 4.275 4.550 0.001 0.000 0.288 1139 Y C 2.547 178.373 175.900 -0.122 0.000 1.146 1139 Y CA 2.623 60.583 58.100 -0.235 0.000 1.164 1139 Y CB -1.036 37.375 38.460 -0.081 0.000 0.982 1139 Y HN 0.052 nan 8.280 nan 0.000 0.515 1140 N N -0.173 118.657 118.700 0.217 0.000 2.058 1140 N HA -0.222 4.518 4.740 -0.000 0.000 0.191 1140 N C 2.134 177.679 175.510 0.058 0.000 1.037 1140 N CA 2.378 55.513 53.050 0.142 0.000 0.848 1140 N CB -0.737 37.830 38.487 0.133 0.000 1.021 1140 N HN 0.532 nan 8.380 nan 0.000 0.422 1141 Q N -0.829 119.015 119.800 0.073 0.000 2.030 1141 Q HA -0.045 4.295 4.340 -0.000 0.000 0.204 1141 Q C 0.899 176.900 176.000 0.001 0.000 0.986 1141 Q CA 1.935 57.774 55.803 0.059 0.000 0.843 1141 Q CB -1.419 27.397 28.738 0.130 0.000 0.904 1141 Q HN 0.632 nan 8.270 nan 0.000 0.420 1142 T N -3.470 111.041 114.554 -0.071 0.000 3.011 1142 T HA 0.534 4.884 4.350 -0.000 0.000 0.303 1142 T C -2.674 171.835 174.700 -0.318 0.000 0.997 1142 T CA -0.968 61.054 62.100 -0.130 0.000 1.007 1142 T CB 2.637 71.476 68.868 -0.049 0.000 1.017 1142 T HN 0.163 nan 8.240 nan 0.000 0.443 1143 P HA 0.175 nan 4.420 nan 0.000 0.225 1143 P C 1.200 178.258 177.300 -0.404 0.000 1.142 1143 P CA 0.256 63.044 63.100 -0.520 0.000 0.894 1143 P CB 0.313 31.772 31.700 -0.402 0.000 0.895 1144 N N 0.553 119.108 118.700 -0.241 0.000 2.192 1144 N HA -0.185 4.555 4.740 -0.000 0.000 0.188 1144 N C 1.915 177.314 175.510 -0.186 0.000 1.013 1144 N CA 1.173 54.114 53.050 -0.181 0.000 0.863 1144 N CB -0.400 38.017 38.487 -0.116 0.000 0.990 1144 N HN 0.254 nan 8.380 nan 0.000 0.430 1145 R N 0.226 120.618 120.500 -0.180 0.000 2.105 1145 R HA 0.188 4.528 4.340 -0.000 0.000 0.214 1145 R C 2.017 178.224 176.300 -0.155 0.000 1.091 1145 R CA 0.841 56.879 56.100 -0.102 0.000 1.007 1145 R CB -0.137 30.165 30.300 0.003 0.000 0.912 1145 R HN 0.081 nan 8.270 nan 0.000 0.450 1146 A N 1.499 124.071 122.820 -0.415 0.000 1.877 1146 A HA -0.143 4.177 4.320 -0.000 0.000 0.216 1146 A C 2.451 179.782 177.584 -0.421 0.000 1.186 1146 A CA 2.391 53.990 52.037 -0.729 0.000 0.620 1146 A CB -0.978 17.182 19.000 -1.400 0.000 0.822 1146 A HN 0.503 nan 8.150 nan 0.000 0.443 1147 K N 0.112 120.257 120.400 -0.424 0.000 2.074 1147 K HA -0.209 4.111 4.320 -0.000 0.000 0.209 1147 K C 2.167 178.705 176.600 -0.104 0.000 1.048 1147 K CA 1.922 58.078 56.287 -0.220 0.000 0.926 1147 K CB -0.725 31.644 32.500 -0.217 0.000 0.713 1147 K HN 0.680 nan 8.250 nan 0.000 0.444 1148 R N -0.301 120.114 120.500 -0.142 0.000 2.073 1148 R HA -0.049 4.291 4.340 -0.000 0.000 0.234 1148 R C 2.509 178.843 176.300 0.057 0.000 1.134 1148 R CA 1.364 57.374 56.100 -0.149 0.000 0.952 1148 R CB -0.737 29.310 30.300 -0.422 0.000 0.850 1148 R HN 0.293 nan 8.270 nan 0.000 0.433 1149 V N 1.604 121.604 119.914 0.142 0.000 2.255 1149 V HA -0.281 3.839 4.120 -0.000 0.000 0.247 1149 V C 2.307 178.524 176.094 0.205 0.000 1.051 1149 V CA 1.946 64.376 62.300 0.215 0.000 1.018 1149 V CB -0.474 31.589 31.823 0.399 0.000 0.641 1149 V HN 0.246 nan 8.190 nan 0.000 0.445 1150 I N 0.133 120.871 120.570 0.280 0.000 2.118 1150 I HA -0.294 3.876 4.170 -0.000 0.000 0.241 1150 I C 2.595 178.842 176.117 0.218 0.000 1.070 1150 I CA 2.199 63.698 61.300 0.331 0.000 1.327 1150 I CB -0.831 37.331 38.000 0.270 0.000 1.034 1150 I HN 0.319 nan 8.210 nan 0.000 0.405 1151 T N -0.157 114.467 114.554 0.117 0.000 2.699 1151 T HA -0.213 4.137 4.350 -0.000 0.000 0.268 1151 T C 1.881 176.591 174.700 0.017 0.000 1.036 1151 T CA 2.111 64.248 62.100 0.062 0.000 1.147 1151 T CB -0.535 68.347 68.868 0.024 0.000 0.862 1151 T HN 0.412 nan 8.240 nan 0.000 0.446 1152 T N 1.617 116.166 114.554 -0.007 0.000 2.708 1152 T HA -0.037 4.312 4.350 -0.000 0.000 0.266 1152 T C 1.542 176.107 174.700 -0.225 0.000 1.037 1152 T CA 0.943 62.945 62.100 -0.163 0.000 1.146 1152 T CB -0.503 68.234 68.868 -0.219 0.000 0.865 1152 T HN 0.250 nan 8.240 nan 0.000 0.435 1153 F N 1.307 121.191 119.950 -0.111 0.000 2.333 1153 F HA 0.070 4.598 4.527 0.001 0.000 0.300 1153 F C 2.477 178.163 175.800 -0.190 0.000 1.083 1153 F CA 0.477 58.390 58.000 -0.145 0.000 1.395 1153 F CB -0.307 38.701 39.000 0.013 0.000 1.056 1153 F HN 0.007 nan 8.300 nan 0.000 0.529 1154 R N -0.306 120.243 120.500 0.081 0.000 2.064 1154 R HA -0.069 4.271 4.340 -0.000 0.000 0.221 1154 R C 2.211 178.457 176.300 -0.090 0.000 1.136 1154 R CA 1.842 57.980 56.100 0.064 0.000 0.980 1154 R CB -0.391 29.972 30.300 0.106 0.000 0.876 1154 R HN 0.350 nan 8.270 nan 0.000 0.437 1155 T N -3.642 110.836 114.554 -0.126 0.000 3.051 1155 T HA 0.141 4.491 4.350 -0.000 0.000 0.255 1155 T C 1.330 175.868 174.700 -0.270 0.000 1.085 1155 T CA 0.707 62.718 62.100 -0.149 0.000 1.109 1155 T CB 0.441 69.257 68.868 -0.086 0.000 0.921 1155 T HN 0.411 nan 8.240 nan 0.000 0.488 1156 G N 1.801 110.372 108.800 -0.381 0.000 2.153 1156 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.252 1156 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.252 1156 G C 0.248 174.900 174.900 -0.412 0.000 0.994 1156 G CA 0.782 45.607 45.100 -0.457 0.000 0.698 1156 G HN 1.237 nan 8.290 nan 0.000 0.521 1157 T N -4.574 109.770 114.554 -0.350 0.000 2.926 1157 T HA 0.564 4.914 4.350 -0.000 0.000 0.289 1157 T C 0.500 175.023 174.700 -0.295 0.000 1.054 1157 T CA -0.499 61.425 62.100 -0.293 0.000 1.015 1157 T CB 1.397 70.196 68.868 -0.115 0.000 1.167 1157 T HN 0.259 nan 8.240 nan 0.000 0.526 1158 W N 0.256 121.539 121.300 -0.030 0.000 3.405 1158 W HA 0.208 4.870 4.660 0.003 0.000 0.300 1158 W C 1.221 177.776 176.519 0.060 0.000 1.286 1158 W CA -0.548 56.809 57.345 0.020 0.000 1.762 1158 W CB -0.003 29.450 29.460 -0.011 0.000 1.087 1158 W HN 0.755 nan 8.180 nan 0.000 0.703 1159 D N 0.757 121.263 120.400 0.177 0.000 2.203 1159 D HA -0.222 4.418 4.640 -0.000 0.000 0.199 1159 D C 2.149 178.507 176.300 0.097 0.000 0.997 1159 D CA 1.688 55.753 54.000 0.108 0.000 0.863 1159 D CB -0.296 40.533 40.800 0.047 0.000 0.928 1159 D HN 0.248 nan 8.370 nan 0.000 0.458 1160 A N -0.722 122.161 122.820 0.104 0.000 2.168 1160 A HA -0.047 4.273 4.320 -0.000 0.000 0.215 1160 A C 0.573 178.046 177.584 -0.185 0.000 1.152 1160 A CA 0.673 52.681 52.037 -0.048 0.000 0.716 1160 A CB -0.103 18.829 19.000 -0.113 0.000 0.794 1160 A HN 0.142 nan 8.150 nan 0.000 0.465 1161 Y N 0.000 120.355 120.300 0.091 0.000 2.660 1161 Y HA 0.000 4.551 4.550 0.002 0.000 0.201 1161 Y CA 0.000 58.128 58.100 0.047 0.000 1.940 1161 Y CB 0.000 38.504 38.460 0.073 0.000 1.050 1161 Y HN 0.000 nan 8.280 nan 0.000 0.758