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 3ccb_1_A DATA FIRST_RESID 41 DATA SEQUENCE KTYTLTDYLK NTYRLKLYSL RWISDHEYLY KQXXNILVFN AEYGNSSVFL DATA SEQUENCE ENSTFDEFGH SINDYSISPD GQFILLEYNY VKQWRHSYTA SYDIYDLNKR DATA SEQUENCE QLITEERIPN NTQWVTWSPV GHKLAYVWNN DIYVKIEPNL PSYRITWTGK DATA SEQUENCE EDIIYNGITD WVYEEEVFSA YSALWWSPNG TFLAYAQFND TEVPLIEYSF DATA SEQUENCE YSDESLQYPK TVRVPYPKAG AVNPTVKFFV VNTDSLSSVT NATSIQITAP DATA SEQUENCE ASMLIGDHYL CDVTWATQER ISLQWLRRIQ NYSVMDIcDY DESSGRWNcL DATA SEQUENCE VARQHIEMST TGWVGRFRPS EPHFTLDGNS FYKIISNEEG YRHIcYFQID DATA SEQUENCE KKDcTFITKG TWEVIGIEAL TSDYLYYISN EYKGMPGGRN LYKIQLSDYT DATA SEQUENCE KVTCLSCELN PERcQYYSVS FSKEAKYYQL RcSGPGLPLY TLHSSVNDKG DATA SEQUENCE LRVLEDNSAL DKMLQNVQMP SKKLDFIILN ETKFWYQMIL PPHFDKSKKY DATA SEQUENCE PLLLDVYAGP CSQKADTVFR LNWATYLAST ENIIVASFDG RGSGYQGDKI DATA SEQUENCE MHAINRRLGT FEVEDQIEAA RQFSKMGFVD NKRIAIWGWS YGGYVTSMVL DATA SEQUENCE GSGSGVFKcG IAVAPVSRWE YYDSVYTERY MGLPTPEDNL DHYRNSTVMS DATA SEQUENCE RAENFKQVEY LLIHGTADDN VHFQQSAQIS KALVDVGVDF QAMWYTDEDH DATA SEQUENCE GIASSTAHQH IYTHMSHFIK QcFSLP 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 41 K HA 0.000 nan 4.320 nan 0.000 0.191 41 K C 0.000 176.669 176.600 0.114 0.000 0.988 41 K CA 0.000 56.349 56.287 0.103 0.000 0.838 41 K CB 0.000 32.564 32.500 0.107 0.000 1.064 42 T N -2.411 112.221 114.554 0.130 0.000 2.910 42 T HA 0.377 4.731 4.350 0.008 0.000 0.287 42 T C -1.125 173.695 174.700 0.201 0.000 1.050 42 T CA -0.755 61.435 62.100 0.151 0.000 1.011 42 T CB 0.943 69.901 68.868 0.150 0.000 1.195 42 T HN 0.532 nan 8.240 nan 0.000 0.540 43 Y N 2.576 122.930 120.300 0.091 0.000 2.486 43 Y HA 0.411 4.966 4.550 0.008 0.000 0.348 43 Y C 0.870 176.918 175.900 0.248 0.000 1.000 43 Y CA -0.248 57.934 58.100 0.137 0.000 1.253 43 Y CB 0.060 38.551 38.460 0.052 0.000 1.140 43 Y HN 1.006 nan 8.280 nan 0.000 0.526 44 T N 2.667 117.217 114.554 -0.008 0.000 2.881 44 T HA 0.144 4.499 4.350 0.008 0.000 0.278 44 T C 0.941 175.567 174.700 -0.123 0.000 0.982 44 T CA -0.774 61.369 62.100 0.073 0.000 0.989 44 T CB 1.338 70.212 68.868 0.011 0.000 1.058 44 T HN 0.706 nan 8.240 nan 0.000 0.529 45 L N 1.224 122.183 121.223 -0.441 0.000 2.012 45 L HA -0.017 4.328 4.340 0.008 0.000 0.210 45 L C 2.620 179.363 176.870 -0.211 0.000 1.073 45 L CA 2.250 56.725 54.840 -0.608 0.000 0.748 45 L CB -1.604 39.962 42.059 -0.822 0.000 0.891 45 L HN 0.970 nan 8.230 nan 0.000 0.431 46 T N -0.276 114.172 114.554 -0.177 0.000 2.665 46 T HA -0.210 4.145 4.350 0.008 0.000 0.268 46 T C 1.511 176.130 174.700 -0.135 0.000 1.035 46 T CA 1.627 63.652 62.100 -0.124 0.000 1.151 46 T CB -0.482 68.334 68.868 -0.088 0.000 0.862 46 T HN 0.437 nan 8.240 nan 0.000 0.438 47 D N 0.061 120.351 120.400 -0.182 0.000 2.106 47 D HA -0.122 4.523 4.640 0.008 0.000 0.191 47 D C 1.778 177.983 176.300 -0.159 0.000 0.997 47 D CA 1.247 55.102 54.000 -0.241 0.000 0.834 47 D CB -0.535 39.990 40.800 -0.459 0.000 0.956 47 D HN 0.446 nan 8.370 nan 0.000 0.448 48 Y N 1.499 121.642 120.300 -0.262 0.000 2.097 48 Y HA -0.149 4.406 4.550 0.008 0.000 0.282 48 Y C 2.243 178.158 175.900 0.025 0.000 1.152 48 Y CA 1.320 59.442 58.100 0.035 0.000 1.136 48 Y CB -0.623 37.936 38.460 0.164 0.000 0.975 48 Y HN -0.075 nan 8.280 nan 0.000 0.498 49 L N -0.351 120.692 121.223 -0.301 0.000 2.156 49 L HA -0.139 4.205 4.340 0.008 0.000 0.208 49 L C 1.721 178.476 176.870 -0.192 0.000 1.095 49 L CA 1.490 56.119 54.840 -0.352 0.000 0.770 49 L CB -0.329 41.601 42.059 -0.215 0.000 0.914 49 L HN 0.051 nan 8.230 nan 0.000 0.439 50 K N -0.070 120.247 120.400 -0.139 0.000 2.372 50 K HA 0.143 4.468 4.320 0.008 0.000 0.200 50 K C -0.184 176.366 176.600 -0.085 0.000 1.022 50 K CA -0.092 56.136 56.287 -0.097 0.000 1.125 50 K CB 0.148 32.595 32.500 -0.088 0.000 0.855 50 K HN 0.148 nan 8.250 nan 0.000 0.524 51 N N 0.004 118.663 118.700 -0.069 0.000 2.705 51 N HA -0.222 4.523 4.740 0.008 0.000 0.255 51 N C -0.021 175.461 175.510 -0.046 0.000 1.008 51 N CA 0.589 53.635 53.050 -0.006 0.000 0.742 51 N CB -1.068 37.418 38.487 -0.002 0.000 0.906 51 N HN 0.143 nan 8.380 nan 0.000 0.541 52 T N -1.183 113.291 114.554 -0.133 0.000 2.833 52 T HA -0.183 4.172 4.350 0.008 0.000 0.269 52 T C 0.307 174.726 174.700 -0.468 0.000 1.054 52 T CA 1.341 63.222 62.100 -0.364 0.000 1.135 52 T CB -0.116 68.410 68.868 -0.570 0.000 0.869 52 T HN 0.380 nan 8.240 nan 0.000 0.466 53 Y N 1.186 121.553 120.300 0.113 0.000 2.478 53 Y HA 0.509 5.064 4.550 0.008 0.000 0.329 53 Y C 0.336 176.337 175.900 0.169 0.000 0.967 53 Y CA -1.179 57.021 58.100 0.167 0.000 1.255 53 Y CB 0.670 39.292 38.460 0.271 0.000 1.103 53 Y HN -0.146 nan 8.280 nan 0.000 0.497 54 R N 3.691 124.322 120.500 0.219 0.000 2.294 54 R HA 0.490 4.834 4.340 0.008 0.000 0.319 54 R C -0.988 175.418 176.300 0.175 0.000 0.984 54 R CA -0.706 55.495 56.100 0.168 0.000 0.861 54 R CB 0.738 31.092 30.300 0.090 0.000 1.104 54 R HN 0.721 nan 8.270 nan 0.000 0.451 55 L N 5.078 126.413 121.223 0.187 0.000 2.530 55 L HA 0.120 4.464 4.340 0.008 0.000 0.273 55 L C 0.560 177.509 176.870 0.131 0.000 1.141 55 L CA 0.381 55.332 54.840 0.185 0.000 0.905 55 L CB 0.310 42.498 42.059 0.215 0.000 1.202 55 L HN 0.439 nan 8.230 nan 0.000 0.473 56 K N 2.872 123.338 120.400 0.109 0.000 2.326 56 K HA 0.319 4.644 4.320 0.008 0.000 0.275 56 K C -0.492 176.109 176.600 0.003 0.000 1.018 56 K CA -0.560 55.760 56.287 0.055 0.000 0.962 56 K CB 0.811 33.341 32.500 0.050 0.000 0.953 56 K HN 0.264 nan 8.250 nan 0.000 0.475 57 L N 2.545 123.715 121.223 -0.089 0.000 2.365 57 L HA 0.321 4.666 4.340 0.008 0.000 0.267 57 L C -0.758 175.831 176.870 -0.469 0.000 1.033 57 L CA -0.315 54.340 54.840 -0.310 0.000 0.802 57 L CB 0.593 42.583 42.059 -0.115 0.000 1.267 57 L HN 0.481 nan 8.230 nan 0.000 0.457 58 Y N 0.582 120.273 120.300 -1.014 0.000 2.705 58 Y HA 0.393 4.948 4.550 0.008 0.000 0.355 58 Y C -0.088 175.658 175.900 -0.258 0.000 1.039 58 Y CA -0.360 57.411 58.100 -0.548 0.000 1.233 58 Y CB 1.212 39.273 38.460 -0.666 0.000 1.103 58 Y HN 0.512 nan 8.280 nan 0.000 0.624 59 S N 5.224 120.853 115.700 -0.118 0.000 2.474 59 S HA 0.635 5.110 4.470 0.008 0.000 0.276 59 S C -0.824 173.751 174.600 -0.041 0.000 1.227 59 S CA -0.456 57.720 58.200 -0.040 0.000 1.050 59 S CB -0.335 62.843 63.200 -0.036 0.000 0.939 59 S HN 0.579 nan 8.310 nan 0.000 0.490 60 L N 3.457 124.627 121.223 -0.088 0.000 2.371 60 L HA 0.780 5.125 4.340 0.008 0.000 0.262 60 L C -0.632 176.155 176.870 -0.139 0.000 1.006 60 L CA -0.872 53.865 54.840 -0.171 0.000 0.818 60 L CB 1.652 43.322 42.059 -0.648 0.000 1.354 60 L HN 0.486 nan 8.230 nan 0.000 0.415 61 R N 1.358 121.834 120.500 -0.041 0.000 2.388 61 R HA 0.379 4.723 4.340 0.008 0.000 0.314 61 R C -1.666 174.692 176.300 0.097 0.000 0.959 61 R CA -0.391 55.737 56.100 0.047 0.000 0.851 61 R CB 1.072 31.440 30.300 0.113 0.000 1.168 61 R HN 0.682 nan 8.270 nan 0.000 0.472 62 W N 3.246 124.658 121.300 0.187 0.000 2.264 62 W HA 0.017 4.682 4.660 0.008 0.000 0.331 62 W C 1.103 177.706 176.519 0.141 0.000 1.364 62 W CA -0.251 57.213 57.345 0.197 0.000 1.253 62 W CB 0.249 29.816 29.460 0.179 0.000 1.215 62 W HN 0.546 nan 8.180 nan 0.000 0.561 63 I N 2.192 122.973 120.570 0.352 0.000 3.265 63 I HA -0.051 4.124 4.170 0.008 0.000 0.282 63 I C 1.122 177.319 176.117 0.133 0.000 1.207 63 I CA 0.903 62.306 61.300 0.172 0.000 1.449 63 I CB -0.222 37.801 38.000 0.039 0.000 1.121 63 I HN 0.396 nan 8.210 nan 0.000 0.442 64 S N -2.188 113.610 115.700 0.164 0.000 3.070 64 S HA 0.280 4.755 4.470 0.008 0.000 0.320 64 S C 0.208 174.812 174.600 0.006 0.000 1.215 64 S CA -0.470 57.740 58.200 0.016 0.000 0.956 64 S CB 0.754 63.867 63.200 -0.145 0.000 1.337 64 S HN -0.054 nan 8.310 nan 0.000 0.639 65 D N 0.158 120.451 120.400 -0.178 0.000 2.340 65 D HA 0.184 4.829 4.640 0.008 0.000 0.220 65 D C 0.837 177.230 176.300 0.155 0.000 1.039 65 D CA 0.615 54.573 54.000 -0.070 0.000 0.866 65 D CB -0.054 40.754 40.800 0.014 0.000 0.913 65 D HN 0.665 nan 8.370 nan 0.000 0.523 66 H N -2.623 116.645 119.070 0.330 0.000 3.770 66 H HA 0.355 4.916 4.556 0.008 0.000 0.264 66 H C -0.350 175.182 175.328 0.339 0.000 1.164 66 H CA -0.310 55.975 56.048 0.395 0.000 1.158 66 H CB 0.171 30.138 29.762 0.341 0.000 1.653 66 H HN 0.026 nan 8.280 nan 0.000 0.795 67 E N 1.238 121.648 120.200 0.351 0.000 2.288 67 E HA 0.482 4.837 4.350 0.008 0.000 0.268 67 E C -1.494 175.314 176.600 0.346 0.000 0.885 67 E CA -1.166 55.371 56.400 0.228 0.000 0.767 67 E CB 2.844 32.585 29.700 0.069 0.000 1.220 67 E HN 0.276 nan 8.360 nan 0.000 0.427 68 Y N -0.525 119.823 120.300 0.080 0.000 2.571 68 Y HA 0.578 5.133 4.550 0.008 0.000 0.341 68 Y C -1.767 174.144 175.900 0.018 0.000 1.076 68 Y CA -1.323 56.736 58.100 -0.070 0.000 1.029 68 Y CB 0.800 38.915 38.460 -0.575 0.000 1.308 68 Y HN 0.361 nan 8.280 nan 0.000 0.461 69 L N 3.284 124.662 121.223 0.258 0.000 2.343 69 L HA 0.512 4.857 4.340 0.008 0.000 0.275 69 L C -1.289 175.829 176.870 0.412 0.000 1.056 69 L CA -0.969 54.024 54.840 0.254 0.000 0.804 69 L CB 1.590 43.768 42.059 0.198 0.000 1.203 69 L HN 0.835 nan 8.230 nan 0.000 0.440 70 Y N 2.602 123.048 120.300 0.243 0.000 2.479 70 Y HA 0.274 4.829 4.550 0.008 0.000 0.338 70 Y C -0.784 175.180 175.900 0.106 0.000 1.055 70 Y CA -1.138 57.033 58.100 0.119 0.000 1.023 70 Y CB 1.570 40.042 38.460 0.020 0.000 1.287 70 Y HN 0.411 nan 8.280 nan 0.000 0.447 71 K N 5.772 125.736 120.400 -0.727 0.000 2.262 71 K HA 0.372 4.697 4.320 0.008 0.000 0.282 71 K C -0.859 175.369 176.600 -0.620 0.000 1.066 71 K CA -0.235 55.751 56.287 -0.501 0.000 0.901 71 K CB 0.773 33.080 32.500 -0.321 0.000 1.089 71 K HN 0.876 nan 8.250 nan 0.000 0.476 76 I N 2.135 122.652 120.570 -0.088 0.000 2.418 76 I HA 0.456 4.631 4.170 0.008 0.000 0.287 76 I C -0.886 175.252 176.117 0.036 0.000 1.008 76 I CA -0.774 60.496 61.300 -0.050 0.000 1.104 76 I CB 1.149 39.064 38.000 -0.141 0.000 1.264 76 I HN 0.174 nan 8.210 nan 0.000 0.438 77 L N 6.751 128.024 121.223 0.084 0.000 2.334 77 L HA 0.596 4.940 4.340 0.008 0.000 0.273 77 L C -0.051 176.818 176.870 -0.003 0.000 1.013 77 L CA -1.010 53.831 54.840 0.001 0.000 0.816 77 L CB 1.671 43.646 42.059 -0.140 0.000 1.278 77 L HN 0.185 nan 8.230 nan 0.000 0.431 78 V N 1.650 121.472 119.914 -0.153 0.000 2.509 78 V HA 0.443 4.568 4.120 0.008 0.000 0.284 78 V C -0.271 175.605 176.094 -0.363 0.000 1.047 78 V CA -0.420 61.753 62.300 -0.212 0.000 0.952 78 V CB 1.104 32.771 31.823 -0.259 0.000 0.988 78 V HN 0.403 nan 8.190 nan 0.000 0.469 79 F N 2.111 121.783 119.950 -0.464 0.000 2.538 79 F HA 0.451 4.983 4.527 0.008 0.000 0.325 79 F C 0.391 175.899 175.800 -0.488 0.000 1.066 79 F CA -0.576 57.081 58.000 -0.571 0.000 0.946 79 F CB 1.728 40.097 39.000 -1.051 0.000 1.199 79 F HN 0.457 nan 8.300 nan 0.000 0.473 80 N N 0.630 119.282 118.700 -0.078 0.000 2.421 80 N HA 0.479 5.224 4.740 0.008 0.000 0.285 80 N C 0.376 175.855 175.510 -0.052 0.000 1.027 80 N CA -0.115 52.930 53.050 -0.009 0.000 0.918 80 N CB 1.527 40.088 38.487 0.122 0.000 1.152 80 N HN 0.755 nan 8.380 nan 0.000 0.485 81 A N 2.833 125.591 122.820 -0.104 0.000 2.014 81 A HA -0.075 4.250 4.320 0.008 0.000 0.218 81 A C 1.757 179.073 177.584 -0.445 0.000 1.163 81 A CA 0.997 52.848 52.037 -0.310 0.000 0.652 81 A CB -0.174 18.378 19.000 -0.746 0.000 0.808 81 A HN 0.747 nan 8.150 nan 0.000 0.449 82 E N -1.089 118.843 120.200 -0.447 0.000 2.106 82 E HA -0.147 4.207 4.350 0.008 0.000 0.192 82 E C 1.042 177.227 176.600 -0.692 0.000 0.984 82 E CA 1.414 57.424 56.400 -0.649 0.000 0.806 82 E CB -0.180 28.890 29.700 -1.050 0.000 0.750 82 E HN 0.870 nan 8.360 nan 0.000 0.458 83 Y N -1.827 118.458 120.300 -0.025 0.000 2.441 83 Y HA 0.334 4.889 4.550 0.008 0.000 0.266 83 Y C 1.612 177.508 175.900 -0.006 0.000 1.093 83 Y CA 0.214 58.304 58.100 -0.016 0.000 1.246 83 Y CB 0.567 39.017 38.460 -0.016 0.000 1.262 83 Y HN 0.082 nan 8.280 nan 0.000 0.518 84 G N 1.503 110.381 108.800 0.129 0.000 2.162 84 G HA2 -0.322 3.643 3.960 0.008 0.000 0.260 84 G HA3 -0.322 3.643 3.960 0.008 0.000 0.260 84 G C -0.045 174.962 174.900 0.179 0.000 0.976 84 G CA 0.247 45.441 45.100 0.158 0.000 0.655 84 G HN 0.481 nan 8.290 nan 0.000 0.533 85 N N 0.391 119.155 118.700 0.107 0.000 2.503 85 N HA 0.526 5.271 4.740 0.008 0.000 0.267 85 N C -0.123 175.269 175.510 -0.197 0.000 1.214 85 N CA 0.535 53.576 53.050 -0.015 0.000 0.959 85 N CB 1.497 39.974 38.487 -0.017 0.000 1.142 85 N HN 0.909 nan 8.380 nan 0.000 0.455 86 S N -0.872 114.628 115.700 -0.333 0.000 2.571 86 S HA 0.543 5.018 4.470 0.008 0.000 0.284 86 S C -0.692 173.709 174.600 -0.332 0.000 1.128 86 S CA -0.915 56.935 58.200 -0.583 0.000 0.970 86 S CB 0.810 63.223 63.200 -1.311 0.000 1.039 86 S HN 0.759 nan 8.310 nan 0.000 0.485 87 S N 1.602 117.148 115.700 -0.257 0.000 2.593 87 S HA 0.728 5.203 4.470 0.008 0.000 0.297 87 S C -0.139 174.392 174.600 -0.114 0.000 1.112 87 S CA -0.898 57.217 58.200 -0.143 0.000 1.043 87 S CB 1.071 64.225 63.200 -0.077 0.000 1.054 87 S HN 0.813 nan 8.310 nan 0.000 0.516 88 V N 2.866 122.738 119.914 -0.070 0.000 2.521 88 V HA 0.142 4.267 4.120 0.008 0.000 0.286 88 V C 0.543 176.660 176.094 0.039 0.000 1.034 88 V CA 0.023 62.298 62.300 -0.041 0.000 1.045 88 V CB -0.177 31.605 31.823 -0.068 0.000 0.974 88 V HN 0.988 nan 8.190 nan 0.000 0.480 89 F N 4.491 124.366 119.950 -0.125 0.000 2.317 89 F HA 0.390 4.922 4.527 0.008 0.000 0.290 89 F C 0.503 176.221 175.800 -0.136 0.000 1.075 89 F CA 0.441 58.374 58.000 -0.111 0.000 1.380 89 F CB 0.622 39.568 39.000 -0.090 0.000 1.093 89 F HN 0.290 nan 8.300 nan 0.000 0.524 90 L N 0.652 121.762 121.223 -0.187 0.000 2.505 90 L HA 0.278 4.623 4.340 0.008 0.000 0.266 90 L C -0.680 176.023 176.870 -0.278 0.000 0.954 90 L CA -0.671 53.968 54.840 -0.335 0.000 0.852 90 L CB 1.907 43.719 42.059 -0.412 0.000 1.282 90 L HN -0.195 nan 8.230 nan 0.000 0.403 91 E N 0.898 120.916 120.200 -0.302 0.000 2.425 91 E HA 0.010 4.365 4.350 0.008 0.000 0.258 91 E C 0.894 177.344 176.600 -0.250 0.000 1.151 91 E CA 0.256 56.513 56.400 -0.238 0.000 0.958 91 E CB 0.496 30.066 29.700 -0.216 0.000 0.968 91 E HN 0.627 nan 8.360 nan 0.000 0.451 92 N N 0.118 118.716 118.700 -0.169 0.000 2.060 92 N HA -0.225 4.519 4.740 0.008 0.000 0.195 92 N C 0.175 175.595 175.510 -0.150 0.000 1.028 92 N CA 1.765 54.735 53.050 -0.134 0.000 0.861 92 N CB -0.272 38.160 38.487 -0.091 0.000 1.029 92 N HN 0.230 nan 8.380 nan 0.000 0.428 93 S N -2.747 112.848 115.700 -0.174 0.000 2.060 93 S HA 0.392 4.866 4.470 0.008 0.000 0.156 93 S C 0.159 174.593 174.600 -0.277 0.000 1.690 93 S CA -0.852 57.243 58.200 -0.174 0.000 1.238 93 S CB 0.481 63.628 63.200 -0.088 0.000 1.150 93 S HN 0.186 nan 8.310 nan 0.000 0.437 94 T N 1.017 115.235 114.554 -0.561 0.000 2.942 94 T HA 0.130 4.485 4.350 0.008 0.000 0.265 94 T C 0.061 174.402 174.700 -0.598 0.000 1.062 94 T CA 0.778 62.462 62.100 -0.694 0.000 1.139 94 T CB -0.423 67.800 68.868 -1.074 0.000 0.883 94 T HN 0.699 nan 8.240 nan 0.000 0.468 95 F N 1.802 121.689 119.950 -0.105 0.000 2.578 95 F HA 0.474 5.005 4.527 0.008 0.000 0.314 95 F C 0.968 176.783 175.800 0.025 0.000 1.225 95 F CA -1.653 56.336 58.000 -0.018 0.000 1.215 95 F CB -0.449 38.414 39.000 -0.228 0.000 1.448 95 F HN -0.066 nan 8.300 nan 0.000 0.548 96 D N 1.458 121.916 120.400 0.098 0.000 2.077 96 D HA -0.159 4.486 4.640 0.008 0.000 0.197 96 D C 1.016 177.383 176.300 0.113 0.000 0.983 96 D CA 1.380 55.423 54.000 0.071 0.000 0.841 96 D CB 0.130 40.935 40.800 0.010 0.000 0.992 96 D HN 0.435 nan 8.370 nan 0.000 0.450 97 E N -0.503 119.758 120.200 0.101 0.000 2.888 97 E HA 0.002 4.357 4.350 0.008 0.000 0.271 97 E C 0.215 176.876 176.600 0.102 0.000 1.527 97 E CA -0.336 56.106 56.400 0.070 0.000 1.700 97 E CB -0.346 29.374 29.700 0.033 0.000 1.410 97 E HN 0.405 nan 8.360 nan 0.000 0.445 98 F N -0.170 119.771 119.950 -0.015 0.000 2.274 98 F HA 0.124 4.656 4.527 0.008 0.000 0.288 98 F C 1.926 177.595 175.800 -0.218 0.000 1.069 98 F CA 1.422 59.390 58.000 -0.055 0.000 1.343 98 F CB 0.455 39.452 39.000 -0.004 0.000 1.089 98 F HN 0.334 nan 8.300 nan 0.000 0.517 99 G N -0.791 107.984 108.800 -0.042 0.000 2.383 99 G HA2 -0.251 3.714 3.960 0.008 0.000 0.229 99 G HA3 -0.251 3.714 3.960 0.008 0.000 0.229 99 G C 0.371 175.161 174.900 -0.184 0.000 1.089 99 G CA 0.284 45.252 45.100 -0.220 0.000 0.640 99 G HN 0.448 nan 8.290 nan 0.000 0.510 100 H N 0.631 119.779 119.070 0.129 0.000 2.508 100 H HA 0.643 5.204 4.556 0.008 0.000 0.358 100 H C 0.014 175.414 175.328 0.120 0.000 1.212 100 H CA 0.568 56.686 56.048 0.117 0.000 1.356 100 H CB 1.452 31.160 29.762 -0.090 0.000 1.525 100 H HN 0.247 nan 8.280 nan 0.000 0.578 101 S N 1.344 117.169 115.700 0.209 0.000 2.438 101 S HA 0.300 4.774 4.470 0.008 0.000 0.316 101 S C -0.366 174.264 174.600 0.050 0.000 1.084 101 S CA -0.766 57.489 58.200 0.093 0.000 1.107 101 S CB -0.378 62.873 63.200 0.085 0.000 0.981 101 S HN 0.297 nan 8.310 nan 0.000 0.466 102 I N 5.543 126.080 120.570 -0.055 0.000 2.396 102 I HA 0.290 4.465 4.170 0.008 0.000 0.289 102 I C 1.320 177.409 176.117 -0.047 0.000 1.056 102 I CA -0.025 61.215 61.300 -0.101 0.000 1.365 102 I CB 1.090 38.920 38.000 -0.283 0.000 1.407 102 I HN 0.720 nan 8.210 nan 0.000 0.509 103 N N 3.362 122.040 118.700 -0.037 0.000 2.305 103 N HA -0.013 4.732 4.740 0.008 0.000 0.179 103 N C -0.097 175.369 175.510 -0.074 0.000 1.019 103 N CA 1.018 54.015 53.050 -0.088 0.000 0.869 103 N CB 0.373 38.771 38.487 -0.148 0.000 1.000 103 N HN 0.661 nan 8.380 nan 0.000 0.431 104 D N -2.552 117.835 120.400 -0.022 0.000 2.671 104 D HA 0.203 4.847 4.640 0.008 0.000 0.273 104 D C -1.638 174.727 176.300 0.110 0.000 1.264 104 D CA -0.526 53.484 54.000 0.017 0.000 0.788 104 D CB 0.718 41.478 40.800 -0.067 0.000 1.324 104 D HN 0.060 nan 8.370 nan 0.000 0.424 105 Y N -1.256 119.065 120.300 0.035 0.000 2.605 105 Y HA 0.790 5.344 4.550 0.008 0.000 0.343 105 Y C -0.936 175.056 175.900 0.152 0.000 1.036 105 Y CA -1.101 57.042 58.100 0.072 0.000 1.065 105 Y CB 1.827 40.319 38.460 0.054 0.000 1.288 105 Y HN 0.135 nan 8.280 nan 0.000 0.481 106 S N 2.873 118.759 115.700 0.310 0.000 2.737 106 S HA 0.547 5.022 4.470 0.008 0.000 0.269 106 S C -1.437 173.500 174.600 0.562 0.000 1.150 106 S CA -0.693 57.712 58.200 0.341 0.000 1.077 106 S CB 0.024 63.401 63.200 0.296 0.000 1.075 106 S HN 0.607 nan 8.310 nan 0.000 0.476 107 I N 4.572 125.390 120.570 0.413 0.000 2.529 107 I HA 0.221 4.396 4.170 0.008 0.000 0.284 107 I C 1.264 177.285 176.117 -0.161 0.000 1.082 107 I CA -0.170 61.274 61.300 0.240 0.000 1.406 107 I CB 0.844 39.004 38.000 0.266 0.000 1.405 107 I HN 0.797 nan 8.210 nan 0.000 0.548 108 S N 6.566 121.861 115.700 -0.676 0.000 2.568 108 S HA 0.161 4.636 4.470 0.008 0.000 0.282 108 S C -1.724 172.601 174.600 -0.458 0.000 1.338 108 S CA -0.840 56.596 58.200 -1.273 0.000 1.045 108 S CB 0.723 63.078 63.200 -1.408 0.000 0.873 108 S HN 0.432 nan 8.310 nan 0.000 0.516 109 P HA -0.168 nan 4.420 nan 0.000 0.216 109 P C 0.793 178.043 177.300 -0.083 0.000 1.154 109 P CA 1.687 64.714 63.100 -0.122 0.000 0.865 109 P CB -0.163 31.483 31.700 -0.090 0.000 0.789 110 D N -1.959 118.388 120.400 -0.088 0.000 2.336 110 D HA 0.073 4.718 4.640 0.008 0.000 0.229 110 D C 1.315 177.587 176.300 -0.047 0.000 1.061 110 D CA 0.537 54.518 54.000 -0.031 0.000 0.875 110 D CB -1.289 39.533 40.800 0.037 0.000 0.904 110 D HN 0.202 nan 8.370 nan 0.000 0.525 111 G N 0.457 109.213 108.800 -0.074 0.000 2.187 111 G HA2 -0.414 3.551 3.960 0.008 0.000 0.261 111 G HA3 -0.414 3.551 3.960 0.008 0.000 0.261 111 G C 0.875 175.731 174.900 -0.073 0.000 1.000 111 G CA 0.727 45.817 45.100 -0.016 0.000 0.718 111 G HN 0.487 nan 8.290 nan 0.000 0.519 112 Q N -1.772 117.897 119.800 -0.219 0.000 2.354 112 Q HA 0.366 4.710 4.340 0.008 0.000 0.203 112 Q C 0.176 175.677 176.000 -0.831 0.000 0.933 112 Q CA 0.615 56.099 55.803 -0.531 0.000 0.901 112 Q CB 0.454 28.771 28.738 -0.701 0.000 1.007 112 Q HN 0.581 nan 8.270 nan 0.000 0.495 113 F N -0.391 119.489 119.950 -0.117 0.000 2.588 113 F HA 0.494 5.026 4.527 0.008 0.000 0.310 113 F C -0.597 175.277 175.800 0.124 0.000 1.082 113 F CA -1.167 56.852 58.000 0.032 0.000 0.929 113 F CB 1.750 40.814 39.000 0.107 0.000 1.254 113 F HN -0.199 nan 8.300 nan 0.000 0.455 114 I N 2.999 123.875 120.570 0.510 0.000 2.509 114 I HA 0.565 4.739 4.170 0.008 0.000 0.293 114 I C -1.810 174.629 176.117 0.538 0.000 1.020 114 I CA -1.080 60.508 61.300 0.481 0.000 1.088 114 I CB 1.744 39.932 38.000 0.313 0.000 1.267 114 I HN 0.587 nan 8.210 nan 0.000 0.430 115 L N 8.080 129.627 121.223 0.541 0.000 2.265 115 L HA 0.495 4.840 4.340 0.008 0.000 0.289 115 L C -1.207 175.827 176.870 0.274 0.000 1.033 115 L CA -0.199 54.863 54.840 0.370 0.000 0.814 115 L CB 1.119 43.318 42.059 0.233 0.000 1.203 115 L HN 0.511 nan 8.230 nan 0.000 0.423 116 L N 4.941 126.289 121.223 0.208 0.000 2.275 116 L HA 0.460 4.804 4.340 0.008 0.000 0.288 116 L C 0.013 177.005 176.870 0.203 0.000 1.046 116 L CA -0.338 54.552 54.840 0.084 0.000 0.805 116 L CB 1.434 43.370 42.059 -0.204 0.000 1.193 116 L HN 0.612 nan 8.230 nan 0.000 0.426 117 E N 4.126 124.396 120.200 0.116 0.000 2.134 117 E HA 0.407 4.761 4.350 0.008 0.000 0.278 117 E C -1.584 175.002 176.600 -0.022 0.000 0.959 117 E CA -0.504 55.841 56.400 -0.092 0.000 0.783 117 E CB 1.053 30.765 29.700 0.020 0.000 1.095 117 E HN 0.439 nan 8.360 nan 0.000 0.399 118 Y N 1.511 121.629 120.300 -0.303 0.000 2.715 118 Y HA 0.447 5.002 4.550 0.008 0.000 0.331 118 Y C -0.178 175.616 175.900 -0.177 0.000 1.197 118 Y CA -1.701 56.294 58.100 -0.174 0.000 1.079 118 Y CB 0.424 38.830 38.460 -0.091 0.000 1.298 118 Y HN 0.481 nan 8.280 nan 0.000 0.477 119 N N -0.326 118.379 118.700 0.008 0.000 2.738 119 N HA -0.294 4.451 4.740 0.008 0.000 0.249 119 N C -1.132 174.336 175.510 -0.069 0.000 1.047 119 N CA 0.943 53.956 53.050 -0.061 0.000 0.707 119 N CB -1.551 36.817 38.487 -0.199 0.000 0.937 119 N HN 0.852 nan 8.380 nan 0.000 0.545 120 Y N 0.240 120.460 120.300 -0.134 0.000 2.569 120 Y HA 0.292 4.846 4.550 0.008 0.000 0.332 120 Y C -0.002 175.847 175.900 -0.085 0.000 1.120 120 Y CA -0.116 57.891 58.100 -0.156 0.000 1.416 120 Y CB 0.695 39.018 38.460 -0.228 0.000 1.210 120 Y HN 0.013 nan 8.280 nan 0.000 0.528 121 V N 8.189 127.749 119.914 -0.591 0.000 2.380 121 V HA 0.186 4.311 4.120 0.008 0.000 0.286 121 V C -0.203 175.478 176.094 -0.689 0.000 1.015 121 V CA -1.371 60.623 62.300 -0.509 0.000 0.834 121 V CB 1.046 32.725 31.823 -0.239 0.000 1.009 121 V HN 0.744 nan 8.190 nan 0.000 0.428 122 K N 3.912 123.838 120.400 -0.790 0.000 2.448 122 K HA 0.131 4.456 4.320 0.008 0.000 0.278 122 K C 0.495 176.920 176.600 -0.291 0.000 1.009 122 K CA 0.347 56.368 56.287 -0.444 0.000 0.995 122 K CB 1.054 33.502 32.500 -0.088 0.000 0.917 122 K HN 0.806 nan 8.250 nan 0.000 0.481 123 Q N 3.288 122.907 119.800 -0.300 0.000 2.429 123 Q HA 0.152 4.496 4.340 0.008 0.000 0.230 123 Q C 0.034 175.792 176.000 -0.403 0.000 0.970 123 Q CA -0.307 55.137 55.803 -0.598 0.000 0.778 123 Q CB 0.038 28.247 28.738 -0.882 0.000 2.016 123 Q HN 0.744 nan 8.270 nan 0.000 0.543 124 W N 0.232 121.525 121.300 -0.012 0.000 1.836 124 W HA 0.348 5.013 4.660 0.008 0.000 0.628 124 W C 1.902 178.411 176.519 -0.017 0.000 1.626 124 W CA -0.696 56.672 57.345 0.039 0.000 1.714 124 W CB -0.197 29.261 29.460 -0.003 0.000 3.166 124 W HN 0.271 nan 8.180 nan 0.000 0.772 125 R N -0.587 120.005 120.500 0.153 0.000 2.081 125 R HA -0.152 4.192 4.340 0.008 0.000 0.235 125 R C 1.704 177.850 176.300 -0.257 0.000 1.131 125 R CA 1.840 57.856 56.100 -0.141 0.000 0.960 125 R CB -0.416 29.648 30.300 -0.393 0.000 0.856 125 R HN 0.503 nan 8.270 nan 0.000 0.436 126 H N -1.326 117.824 119.070 0.133 0.000 2.927 126 H HA 0.157 4.718 4.556 0.008 0.000 0.255 126 H C 0.511 175.929 175.328 0.149 0.000 0.974 126 H CA 0.445 56.594 56.048 0.168 0.000 1.199 126 H CB 0.373 30.211 29.762 0.127 0.000 1.447 126 H HN 0.148 nan 8.280 nan 0.000 0.467 127 S N 1.339 117.040 115.700 0.001 0.000 2.580 127 S HA 0.404 4.878 4.470 0.008 0.000 0.274 127 S C -0.311 174.129 174.600 -0.266 0.000 1.329 127 S CA -0.501 57.382 58.200 -0.529 0.000 1.036 127 S CB 0.819 63.176 63.200 -1.405 0.000 0.919 127 S HN 0.420 nan 8.310 nan 0.000 0.515 128 Y N -1.926 118.234 120.300 -0.233 0.000 2.750 128 Y HA 0.729 5.283 4.550 0.008 0.000 0.335 128 Y C -0.867 175.040 175.900 0.010 0.000 1.252 128 Y CA -1.214 56.776 58.100 -0.182 0.000 1.064 128 Y CB 0.618 38.972 38.460 -0.175 0.000 1.321 128 Y HN 0.583 nan 8.280 nan 0.000 0.451 129 T N 1.310 115.979 114.554 0.192 0.000 2.912 129 T HA 0.938 5.292 4.350 0.008 0.000 0.288 129 T C -0.945 173.872 174.700 0.194 0.000 1.030 129 T CA 0.018 62.222 62.100 0.175 0.000 1.020 129 T CB 1.392 70.280 68.868 0.033 0.000 1.056 129 T HN 1.178 nan 8.240 nan 0.000 0.480 130 A N 1.290 124.169 122.820 0.098 0.000 2.608 130 A HA 0.737 5.061 4.320 0.008 0.000 0.292 130 A C -0.667 176.625 177.584 -0.488 0.000 1.066 130 A CA -0.792 51.114 52.037 -0.218 0.000 0.676 130 A CB 1.197 20.024 19.000 -0.287 0.000 1.277 130 A HN 0.650 nan 8.150 nan 0.000 0.413 131 S N -0.412 114.791 115.700 -0.828 0.000 2.646 131 S HA 0.778 5.253 4.470 0.008 0.000 0.276 131 S C -1.276 172.555 174.600 -1.282 0.000 1.222 131 S CA 0.016 57.623 58.200 -0.987 0.000 1.014 131 S CB 0.475 62.866 63.200 -1.349 0.000 0.991 131 S HN 0.463 nan 8.310 nan 0.000 0.533 132 Y N -0.080 119.935 120.300 -0.474 0.000 2.504 132 Y HA 0.440 4.995 4.550 0.008 0.000 0.344 132 Y C -0.596 175.307 175.900 0.005 0.000 1.023 132 Y CA -0.975 57.010 58.100 -0.192 0.000 1.020 132 Y CB 1.850 40.167 38.460 -0.238 0.000 1.282 132 Y HN 0.485 nan 8.280 nan 0.000 0.454 133 D N 2.645 123.249 120.400 0.341 0.000 2.619 133 D HA 0.520 5.165 4.640 0.008 0.000 0.241 133 D C -0.876 175.577 176.300 0.254 0.000 1.087 133 D CA -0.358 53.816 54.000 0.290 0.000 0.851 133 D CB 2.599 43.647 40.800 0.414 0.000 1.474 133 D HN 0.385 nan 8.370 nan 0.000 0.478 134 I N 1.702 122.393 120.570 0.202 0.000 2.359 134 I HA 0.259 4.434 4.170 0.008 0.000 0.294 134 I C -0.755 175.567 176.117 0.342 0.000 0.987 134 I CA -0.904 60.551 61.300 0.258 0.000 1.225 134 I CB 1.115 39.200 38.000 0.141 0.000 1.366 134 I HN 0.227 nan 8.210 nan 0.000 0.466 135 Y N 5.582 126.059 120.300 0.295 0.000 2.328 135 Y HA 0.242 4.797 4.550 0.008 0.000 0.333 135 Y C -0.029 176.064 175.900 0.323 0.000 0.958 135 Y CA -0.703 57.559 58.100 0.270 0.000 1.167 135 Y CB 1.012 39.613 38.460 0.235 0.000 1.151 135 Y HN 0.521 nan 8.280 nan 0.000 0.470 136 D N 6.256 126.729 120.400 0.122 0.000 2.358 136 D HA 0.029 4.674 4.640 0.008 0.000 0.258 136 D C 0.616 176.869 176.300 -0.078 0.000 1.223 136 D CA 0.478 54.526 54.000 0.080 0.000 0.886 136 D CB 1.089 41.916 40.800 0.046 0.000 1.120 136 D HN 0.871 nan 8.370 nan 0.000 0.482 137 L N 3.994 125.168 121.223 -0.081 0.000 2.240 137 L HA -0.053 4.292 4.340 0.008 0.000 0.211 137 L C 2.129 178.933 176.870 -0.109 0.000 1.106 137 L CA 0.283 55.111 54.840 -0.020 0.000 0.793 137 L CB -0.131 41.900 42.059 -0.046 0.000 0.927 137 L HN 0.419 nan 8.230 nan 0.000 0.446 138 N N 0.397 118.976 118.700 -0.202 0.000 2.453 138 N HA -0.128 4.617 4.740 0.008 0.000 0.183 138 N C 1.135 176.578 175.510 -0.111 0.000 1.041 138 N CA 1.054 54.009 53.050 -0.159 0.000 0.900 138 N CB 0.201 38.568 38.487 -0.200 0.000 0.961 138 N HN 0.443 nan 8.380 nan 0.000 0.443 139 K N -0.279 120.050 120.400 -0.118 0.000 2.491 139 K HA 0.247 4.571 4.320 0.008 0.000 0.211 139 K C -0.331 176.199 176.600 -0.116 0.000 1.210 139 K CA -0.334 55.892 56.287 -0.101 0.000 1.003 139 K CB 1.209 33.651 32.500 -0.097 0.000 1.009 139 K HN -0.122 nan 8.250 nan 0.000 0.577 140 R N 2.530 122.949 120.500 -0.135 0.000 2.974 140 R HA -0.197 4.148 4.340 0.008 0.000 0.258 140 R C -1.241 174.802 176.300 -0.428 0.000 0.892 140 R CA 0.867 56.874 56.100 -0.154 0.000 0.664 140 R CB -1.525 28.831 30.300 0.094 0.000 1.478 140 R HN 0.540 nan 8.270 nan 0.000 0.498 141 Q N 0.017 119.302 119.800 -0.859 0.000 2.403 141 Q HA 0.336 4.681 4.340 0.008 0.000 0.267 141 Q C -0.993 174.696 176.000 -0.518 0.000 0.991 141 Q CA -1.306 54.163 55.803 -0.558 0.000 0.906 141 Q CB 1.089 29.695 28.738 -0.220 0.000 1.422 141 Q HN -0.003 nan 8.270 nan 0.000 0.400 142 L N 2.621 123.719 121.223 -0.208 0.000 2.453 142 L HA 0.254 4.599 4.340 0.008 0.000 0.272 142 L C 0.285 177.162 176.870 0.010 0.000 1.182 142 L CA 0.086 54.941 54.840 0.025 0.000 0.858 142 L CB -0.371 41.784 42.059 0.159 0.000 1.120 142 L HN 0.708 nan 8.230 nan 0.000 0.474 143 I N 2.243 122.846 120.570 0.054 0.000 2.575 143 I HA 0.046 4.220 4.170 0.008 0.000 0.285 143 I C 1.406 177.531 176.117 0.013 0.000 1.085 143 I CA 0.521 61.839 61.300 0.031 0.000 1.403 143 I CB 1.149 39.169 38.000 0.033 0.000 1.409 143 I HN 0.785 nan 8.210 nan 0.000 0.557 144 T N 0.398 114.949 114.554 -0.006 0.000 3.003 144 T HA 0.200 4.555 4.350 0.008 0.000 0.261 144 T C 0.257 174.938 174.700 -0.032 0.000 1.003 144 T CA -0.390 61.699 62.100 -0.019 0.000 0.917 144 T CB -0.065 68.790 68.868 -0.021 0.000 1.084 144 T HN 0.552 nan 8.240 nan 0.000 0.522 145 E N 2.024 122.206 120.200 -0.031 0.000 2.191 145 E HA 0.270 4.625 4.350 0.008 0.000 0.278 145 E C -0.592 175.974 176.600 -0.057 0.000 0.972 145 E CA -0.631 55.745 56.400 -0.040 0.000 0.804 145 E CB 0.897 30.580 29.700 -0.029 0.000 1.110 145 E HN 0.143 nan 8.360 nan 0.000 0.394 146 E N 1.220 121.376 120.200 -0.074 0.000 2.360 146 E HA -0.231 4.124 4.350 0.008 0.000 0.238 146 E C -0.527 175.995 176.600 -0.129 0.000 1.186 146 E CA 0.670 57.011 56.400 -0.099 0.000 0.719 146 E CB -1.402 28.250 29.700 -0.080 0.000 1.236 146 E HN 0.568 nan 8.360 nan 0.000 0.386 147 R N -0.165 120.251 120.500 -0.141 0.000 2.734 147 R HA 0.229 4.574 4.340 0.008 0.000 0.266 147 R C 1.135 177.260 176.300 -0.291 0.000 1.044 147 R CA -0.209 55.790 56.100 -0.168 0.000 1.128 147 R CB 0.365 30.588 30.300 -0.129 0.000 1.010 147 R HN 0.139 nan 8.270 nan 0.000 0.461 148 I N 4.919 125.278 120.570 -0.353 0.000 2.668 148 I HA -0.012 4.163 4.170 0.008 0.000 0.285 148 I C -1.415 174.363 176.117 -0.564 0.000 1.168 148 I CA -1.232 59.690 61.300 -0.631 0.000 1.424 148 I CB 0.111 37.746 38.000 -0.608 0.000 1.377 148 I HN 0.377 nan 8.210 nan 0.000 0.560 149 P HA 0.058 nan 4.420 nan 0.000 0.273 149 P C -0.725 176.302 177.300 -0.455 0.000 1.250 149 P CA -0.387 62.270 63.100 -0.739 0.000 0.793 149 P CB 0.469 31.271 31.700 -1.496 0.000 1.011 150 N N 0.743 119.277 118.700 -0.277 0.000 2.371 150 N HA -0.010 4.735 4.740 0.008 0.000 0.243 150 N C 0.325 175.876 175.510 0.069 0.000 1.287 150 N CA 0.218 53.191 53.050 -0.129 0.000 0.911 150 N CB -0.745 37.694 38.487 -0.080 0.000 1.142 150 N HN 0.417 nan 8.380 nan 0.000 0.451 151 N N -1.799 116.938 118.700 0.062 0.000 2.754 151 N HA -0.165 4.580 4.740 0.008 0.000 0.248 151 N C -1.058 174.641 175.510 0.315 0.000 1.093 151 N CA 0.621 53.770 53.050 0.164 0.000 0.699 151 N CB -1.391 37.204 38.487 0.180 0.000 1.016 151 N HN 0.437 nan 8.380 nan 0.000 0.552 152 T N 0.192 114.909 114.554 0.272 0.000 2.884 152 T HA 0.101 4.456 4.350 0.008 0.000 0.298 152 T C 1.418 176.310 174.700 0.320 0.000 0.998 152 T CA -0.078 62.225 62.100 0.339 0.000 1.124 152 T CB 1.381 70.369 68.868 0.200 0.000 0.931 152 T HN 0.183 nan 8.240 nan 0.000 0.531 153 Q N 1.655 121.627 119.800 0.286 0.000 2.204 153 Q HA 0.149 4.494 4.340 0.008 0.000 0.198 153 Q C 0.113 176.270 176.000 0.262 0.000 0.946 153 Q CA 0.495 56.463 55.803 0.274 0.000 0.859 153 Q CB 0.709 29.535 28.738 0.145 0.000 0.946 153 Q HN 0.691 nan 8.270 nan 0.000 0.474 154 W N 0.494 121.761 121.300 -0.055 0.000 3.479 154 W HA 0.449 5.114 4.660 0.008 0.000 0.304 154 W C -1.967 174.471 176.519 -0.136 0.000 1.243 154 W CA -0.846 56.420 57.345 -0.132 0.000 1.202 154 W CB 1.381 30.697 29.460 -0.239 0.000 1.346 154 W HN -0.238 nan 8.180 nan 0.000 0.539 155 V N 1.427 120.692 119.914 -1.081 0.000 2.876 155 V HA 0.930 5.054 4.120 0.008 0.000 0.312 155 V C -0.932 174.546 176.094 -1.027 0.000 1.085 155 V CA -0.673 61.086 62.300 -0.902 0.000 0.945 155 V CB 1.350 32.505 31.823 -1.115 0.000 1.017 155 V HN 0.588 nan 8.190 nan 0.000 0.428 156 T N 2.322 116.594 114.554 -0.470 0.000 3.159 156 T HA 0.481 4.836 4.350 0.008 0.000 0.343 156 T C -1.511 173.159 174.700 -0.050 0.000 1.364 156 T CA -0.367 61.623 62.100 -0.184 0.000 1.102 156 T CB 0.965 69.983 68.868 0.250 0.000 1.263 156 T HN 0.782 nan 8.240 nan 0.000 0.477 157 W N 3.277 124.579 121.300 0.002 0.000 2.150 157 W HA 0.438 5.103 4.660 0.008 0.000 0.341 157 W C 1.287 177.536 176.519 -0.450 0.000 1.276 157 W CA -0.548 56.725 57.345 -0.120 0.000 1.238 157 W CB 0.568 29.981 29.460 -0.077 0.000 1.128 157 W HN 0.794 nan 8.180 nan 0.000 0.581 158 S N 1.592 116.863 115.700 -0.715 0.000 2.584 158 S HA 0.108 4.583 4.470 0.008 0.000 0.270 158 S C -1.820 172.457 174.600 -0.538 0.000 1.346 158 S CA -0.971 56.289 58.200 -1.566 0.000 1.018 158 S CB 0.797 63.043 63.200 -1.589 0.000 0.899 158 S HN 0.294 nan 8.310 nan 0.000 0.542 159 P HA 0.066 nan 4.420 nan 0.000 0.223 159 P C 0.363 177.610 177.300 -0.089 0.000 1.151 159 P CA 0.543 63.586 63.100 -0.095 0.000 0.787 159 P CB -0.171 31.526 31.700 -0.005 0.000 0.788 160 V N -5.618 114.207 119.914 -0.148 0.000 2.914 160 V HA 0.888 5.012 4.120 0.008 0.000 0.314 160 V C 0.456 176.460 176.094 -0.150 0.000 1.084 160 V CA -0.172 62.062 62.300 -0.111 0.000 0.963 160 V CB 1.041 32.818 31.823 -0.077 0.000 1.025 160 V HN 0.424 nan 8.190 nan 0.000 0.432 161 G N 2.925 111.663 108.800 -0.104 0.000 2.528 161 G HA2 -0.196 3.769 3.960 0.008 0.000 0.262 161 G HA3 -0.196 3.769 3.960 0.008 0.000 0.262 161 G C 0.271 175.128 174.900 -0.071 0.000 1.200 161 G CA 0.786 45.821 45.100 -0.108 0.000 0.951 161 G HN 2.542 nan 8.290 nan 0.000 0.566 162 H N -0.393 118.670 119.070 -0.011 0.000 2.885 162 H HA 0.414 4.975 4.556 0.008 0.000 0.237 162 H C 0.285 175.786 175.328 0.288 0.000 1.229 162 H CA -0.102 55.990 56.048 0.073 0.000 0.947 162 H CB -0.232 29.636 29.762 0.177 0.000 2.223 162 H HN 0.520 nan 8.280 nan 0.000 0.628 163 K N 1.316 121.738 120.400 0.037 0.000 2.258 163 K HA 0.336 4.661 4.320 0.008 0.000 0.264 163 K C -0.786 175.917 176.600 0.170 0.000 1.007 163 K CA -0.619 55.698 56.287 0.049 0.000 0.941 163 K CB 1.332 33.743 32.500 -0.147 0.000 0.966 163 K HN 0.007 nan 8.250 nan 0.000 0.480 164 L N 1.303 122.645 121.223 0.198 0.000 2.410 164 L HA 0.513 4.858 4.340 0.008 0.000 0.270 164 L C -1.494 175.537 176.870 0.268 0.000 0.983 164 L CA -0.288 54.611 54.840 0.098 0.000 0.822 164 L CB 1.828 43.797 42.059 -0.151 0.000 1.285 164 L HN 0.758 nan 8.230 nan 0.000 0.409 165 A N 4.217 127.218 122.820 0.303 0.000 2.343 165 A HA 0.767 5.092 4.320 0.008 0.000 0.308 165 A C -1.684 175.937 177.584 0.061 0.000 1.092 165 A CA -0.406 51.724 52.037 0.155 0.000 0.751 165 A CB 0.861 19.923 19.000 0.103 0.000 1.203 165 A HN 0.709 nan 8.150 nan 0.000 0.452 166 Y N -0.019 120.252 120.300 -0.048 0.000 2.576 166 Y HA 0.799 5.353 4.550 0.008 0.000 0.346 166 Y C -1.045 174.874 175.900 0.032 0.000 1.018 166 Y CA -1.689 56.361 58.100 -0.082 0.000 1.050 166 Y CB 1.221 39.568 38.460 -0.189 0.000 1.280 166 Y HN 0.350 nan 8.280 nan 0.000 0.474 167 V N 2.371 122.439 119.914 0.256 0.000 2.417 167 V HA 0.355 4.480 4.120 0.008 0.000 0.291 167 V C -1.374 174.965 176.094 0.408 0.000 1.024 167 V CA -0.585 61.833 62.300 0.198 0.000 0.861 167 V CB 1.152 32.993 31.823 0.029 0.000 0.985 167 V HN 0.882 nan 8.190 nan 0.000 0.436 168 W N 4.778 126.206 121.300 0.213 0.000 3.129 168 W HA 0.446 5.111 4.660 0.008 0.000 0.333 168 W C 0.334 176.923 176.519 0.116 0.000 1.141 168 W CA -0.789 56.656 57.345 0.166 0.000 1.224 168 W CB 1.232 30.795 29.460 0.172 0.000 1.393 168 W HN 0.756 nan 8.180 nan 0.000 0.499 169 N N 5.552 123.866 118.700 -0.644 0.000 2.710 169 N HA -0.364 4.380 4.740 0.008 0.000 0.249 169 N C 0.126 175.453 175.510 -0.304 0.000 1.059 169 N CA 1.259 53.934 53.050 -0.626 0.000 0.720 169 N CB -1.017 36.860 38.487 -1.017 0.000 0.983 169 N HN 0.874 nan 8.380 nan 0.000 0.544 170 N N -1.723 116.869 118.700 -0.179 0.000 2.878 170 N HA -0.160 4.584 4.740 0.008 0.000 0.247 170 N C -1.192 174.229 175.510 -0.148 0.000 1.021 170 N CA 1.061 54.023 53.050 -0.146 0.000 0.873 170 N CB -0.368 37.989 38.487 -0.218 0.000 1.128 170 N HN 0.426 nan 8.380 nan 0.000 0.571 171 D N 0.509 120.826 120.400 -0.138 0.000 2.350 171 D HA 0.504 5.149 4.640 0.008 0.000 0.238 171 D C 0.109 176.237 176.300 -0.288 0.000 0.989 171 D CA -0.353 53.490 54.000 -0.261 0.000 0.921 171 D CB 1.612 42.197 40.800 -0.358 0.000 1.297 171 D HN 0.020 nan 8.370 nan 0.000 0.490 172 I N 1.783 122.025 120.570 -0.546 0.000 2.331 172 I HA 0.220 4.395 4.170 0.008 0.000 0.292 172 I C -0.643 175.001 176.117 -0.789 0.000 0.998 172 I CA -0.455 60.505 61.300 -0.567 0.000 1.267 172 I CB 0.533 38.126 38.000 -0.679 0.000 1.386 172 I HN 0.146 nan 8.210 nan 0.000 0.476 173 Y N 4.545 124.457 120.300 -0.646 0.000 2.485 173 Y HA 0.659 5.213 4.550 0.008 0.000 0.345 173 Y C -0.243 175.311 175.900 -0.576 0.000 0.998 173 Y CA -1.004 56.678 58.100 -0.696 0.000 1.059 173 Y CB 2.052 39.865 38.460 -1.077 0.000 1.234 173 Y HN 0.120 nan 8.280 nan 0.000 0.461 174 V N 2.780 122.629 119.914 -0.109 0.000 2.588 174 V HA 0.408 4.533 4.120 0.008 0.000 0.304 174 V C -0.825 175.386 176.094 0.196 0.000 1.042 174 V CA -1.366 60.959 62.300 0.042 0.000 0.877 174 V CB 1.877 33.729 31.823 0.047 0.000 0.996 174 V HN 0.636 nan 8.190 nan 0.000 0.425 175 K N 4.567 125.084 120.400 0.195 0.000 2.339 175 K HA 0.489 4.813 4.320 0.008 0.000 0.264 175 K C 0.410 177.130 176.600 0.200 0.000 0.986 175 K CA -0.706 55.701 56.287 0.199 0.000 0.866 175 K CB 1.700 34.278 32.500 0.131 0.000 1.103 175 K HN 0.446 nan 8.250 nan 0.000 0.441 176 I N 1.138 121.844 120.570 0.227 0.000 2.286 176 I HA -0.091 4.083 4.170 0.008 0.000 0.245 176 I C 0.486 176.697 176.117 0.157 0.000 1.104 176 I CA 1.470 62.868 61.300 0.163 0.000 1.397 176 I CB -0.301 37.799 38.000 0.166 0.000 1.072 176 I HN 0.537 nan 8.210 nan 0.000 0.417 177 E N 0.131 120.428 120.200 0.161 0.000 2.238 177 E HA 0.285 4.640 4.350 0.008 0.000 0.267 177 E C -1.885 174.722 176.600 0.012 0.000 0.887 177 E CA -2.082 54.400 56.400 0.137 0.000 0.769 177 E CB 1.768 31.548 29.700 0.133 0.000 1.187 177 E HN -0.123 nan 8.360 nan 0.000 0.416 178 P HA -0.148 nan 4.420 nan 0.000 0.218 178 P C 0.728 177.955 177.300 -0.122 0.000 1.148 178 P CA 1.390 64.357 63.100 -0.222 0.000 0.822 178 P CB 0.186 31.533 31.700 -0.588 0.000 0.784 179 N N -1.782 116.866 118.700 -0.087 0.000 2.280 179 N HA 0.054 4.799 4.740 0.008 0.000 0.192 179 N C 0.269 175.767 175.510 -0.020 0.000 1.109 179 N CA -0.127 52.901 53.050 -0.037 0.000 0.855 179 N CB -0.082 38.401 38.487 -0.007 0.000 0.974 179 N HN 0.115 nan 8.380 nan 0.000 0.482 180 L N 1.547 122.765 121.223 -0.007 0.000 2.379 180 L HA 0.451 4.796 4.340 0.008 0.000 0.269 180 L C -1.986 174.863 176.870 -0.036 0.000 1.084 180 L CA -2.254 52.583 54.840 -0.006 0.000 0.802 180 L CB 0.814 42.893 42.059 0.034 0.000 1.175 180 L HN -0.099 nan 8.230 nan 0.000 0.448 181 P HA -0.047 nan 4.420 nan 0.000 0.267 181 P C -0.711 176.500 177.300 -0.149 0.000 1.195 181 P CA -0.082 62.944 63.100 -0.123 0.000 0.773 181 P CB 0.374 31.972 31.700 -0.170 0.000 0.837 182 S N 1.525 117.175 115.700 -0.085 0.000 2.578 182 S HA 0.439 4.914 4.470 0.008 0.000 0.283 182 S C -0.665 173.914 174.600 -0.035 0.000 1.195 182 S CA -0.613 57.594 58.200 0.013 0.000 1.050 182 S CB 0.254 63.528 63.200 0.124 0.000 1.012 182 S HN 0.269 nan 8.310 nan 0.000 0.511 183 Y N 0.889 121.219 120.300 0.050 0.000 2.316 183 Y HA 0.413 4.967 4.550 0.008 0.000 0.331 183 Y C 0.992 176.842 175.900 -0.084 0.000 1.083 183 Y CA -0.774 57.340 58.100 0.022 0.000 1.206 183 Y CB 0.846 39.313 38.460 0.011 0.000 1.195 183 Y HN 0.671 nan 8.280 nan 0.000 0.497 184 R N 3.704 124.184 120.500 -0.034 0.000 2.248 184 R HA 0.212 4.557 4.340 0.008 0.000 0.328 184 R C 0.193 176.239 176.300 -0.423 0.000 1.067 184 R CA -0.141 55.614 56.100 -0.574 0.000 0.924 184 R CB 0.235 29.976 30.300 -0.931 0.000 1.013 184 R HN 0.764 nan 8.270 nan 0.000 0.454 185 I N 2.226 122.456 120.570 -0.567 0.000 2.429 185 I HA -0.036 4.139 4.170 0.008 0.000 0.247 185 I C 1.110 177.026 176.117 -0.336 0.000 1.099 185 I CA 1.033 62.118 61.300 -0.358 0.000 1.422 185 I CB -0.871 36.873 38.000 -0.426 0.000 1.112 185 I HN 0.626 nan 8.210 nan 0.000 0.430 186 T N -3.507 110.711 114.554 -0.560 0.000 2.885 186 T HA 0.392 4.747 4.350 0.008 0.000 0.285 186 T C -0.651 173.772 174.700 -0.461 0.000 1.019 186 T CA -0.516 61.359 62.100 -0.375 0.000 1.010 186 T CB 1.835 70.457 68.868 -0.411 0.000 1.022 186 T HN 0.201 nan 8.240 nan 0.000 0.466 187 W N 0.857 122.036 121.300 -0.201 0.000 2.684 187 W HA 0.255 4.920 4.660 0.008 0.000 0.381 187 W C 1.694 178.148 176.519 -0.108 0.000 0.975 187 W CA -0.320 56.943 57.345 -0.138 0.000 1.789 187 W CB 0.364 29.765 29.460 -0.097 0.000 1.161 187 W HN 0.939 nan 8.180 nan 0.000 0.564 188 T N -3.209 111.367 114.554 0.037 0.000 3.054 188 T HA 0.291 4.646 4.350 0.008 0.000 0.255 188 T C 1.199 175.879 174.700 -0.033 0.000 1.035 188 T CA 0.048 62.158 62.100 0.016 0.000 0.941 188 T CB -0.021 68.853 68.868 0.011 0.000 1.026 188 T HN -0.002 nan 8.240 nan 0.000 0.533 189 G N 1.385 110.134 108.800 -0.085 0.000 2.265 189 G HA2 0.341 4.305 3.960 0.008 0.000 0.240 189 G HA3 0.341 4.305 3.960 0.008 0.000 0.240 189 G C -0.604 174.221 174.900 -0.124 0.000 1.270 189 G CA -0.287 44.737 45.100 -0.127 0.000 0.901 189 G HN 0.542 nan 8.290 nan 0.000 0.507 190 K N 1.928 122.233 120.400 -0.159 0.000 2.588 190 K HA 0.151 4.475 4.320 0.008 0.000 0.250 190 K C -0.168 176.306 176.600 -0.210 0.000 0.972 190 K CA -0.644 55.556 56.287 -0.145 0.000 0.821 190 K CB 1.578 34.028 32.500 -0.084 0.000 1.249 190 K HN 0.635 nan 8.250 nan 0.000 0.442 191 E N 2.825 122.915 120.200 -0.183 0.000 2.652 191 E HA -0.160 4.194 4.350 0.008 0.000 0.255 191 E C -0.564 175.952 176.600 -0.141 0.000 0.952 191 E CA 1.080 57.376 56.400 -0.174 0.000 0.947 191 E CB 0.274 29.907 29.700 -0.113 0.000 0.912 191 E HN 0.647 nan 8.360 nan 0.000 0.489 192 D N 2.223 122.531 120.400 -0.152 0.000 2.978 192 D HA -0.243 4.402 4.640 0.008 0.000 0.205 192 D C 0.474 176.805 176.300 0.051 0.000 1.093 192 D CA 1.618 55.637 54.000 0.032 0.000 1.006 192 D CB -0.834 40.016 40.800 0.082 0.000 1.116 192 D HN 0.522 nan 8.370 nan 0.000 0.419 193 I N -1.307 119.188 120.570 -0.126 0.000 3.814 193 I HA 0.073 4.248 4.170 0.008 0.000 0.264 193 I C 0.215 176.354 176.117 0.037 0.000 1.145 193 I CA -0.033 61.279 61.300 0.020 0.000 1.375 193 I CB 0.773 38.779 38.000 0.009 0.000 1.638 193 I HN -0.178 nan 8.210 nan 0.000 0.432 194 I N 1.535 122.027 120.570 -0.130 0.000 2.406 194 I HA 0.291 4.466 4.170 0.008 0.000 0.290 194 I C -1.418 174.611 176.117 -0.146 0.000 0.999 194 I CA -0.526 60.771 61.300 -0.004 0.000 1.124 194 I CB 0.928 38.936 38.000 0.013 0.000 1.289 194 I HN 0.033 nan 8.210 nan 0.000 0.441 195 Y N 4.443 124.829 120.300 0.143 0.000 2.328 195 Y HA 0.401 4.955 4.550 0.008 0.000 0.333 195 Y C 0.406 176.364 175.900 0.098 0.000 0.958 195 Y CA -0.785 57.397 58.100 0.136 0.000 1.167 195 Y CB 1.072 39.682 38.460 0.250 0.000 1.151 195 Y HN 0.409 nan 8.280 nan 0.000 0.470 196 N N 2.398 121.151 118.700 0.088 0.000 2.469 196 N HA 0.315 5.060 4.740 0.008 0.000 0.253 196 N C 0.825 176.260 175.510 -0.125 0.000 0.970 196 N CA 0.447 53.475 53.050 -0.036 0.000 0.940 196 N CB 1.773 40.132 38.487 -0.213 0.000 1.128 196 N HN 1.023 nan 8.380 nan 0.000 0.503 197 G N 1.823 110.576 108.800 -0.077 0.000 2.184 197 G HA2 -0.262 3.703 3.960 0.008 0.000 0.264 197 G HA3 -0.262 3.703 3.960 0.008 0.000 0.264 197 G C 0.145 174.883 174.900 -0.269 0.000 0.975 197 G CA 0.765 45.741 45.100 -0.207 0.000 0.642 197 G HN 0.660 nan 8.290 nan 0.000 0.536 198 I N -1.908 118.582 120.570 -0.133 0.000 2.828 198 I HA 0.816 4.991 4.170 0.008 0.000 0.302 198 I C 0.314 176.430 176.117 -0.002 0.000 1.101 198 I CA -0.679 60.459 61.300 -0.270 0.000 1.031 198 I CB 2.084 39.752 38.000 -0.553 0.000 1.231 198 I HN 0.154 nan 8.210 nan 0.000 0.427 199 T N -0.260 114.204 114.554 -0.150 0.000 2.913 199 T HA 0.381 4.736 4.350 0.008 0.000 0.287 199 T C -0.214 174.222 174.700 -0.439 0.000 1.008 199 T CA -0.684 61.166 62.100 -0.418 0.000 1.067 199 T CB 1.300 70.024 68.868 -0.240 0.000 0.996 199 T HN 0.762 nan 8.240 nan 0.000 0.513 200 D N 0.480 120.368 120.400 -0.854 0.000 2.451 200 D HA 0.035 4.680 4.640 0.008 0.000 0.259 200 D C 0.955 177.175 176.300 -0.133 0.000 1.201 200 D CA -1.145 52.415 54.000 -0.734 0.000 1.028 200 D CB 0.194 40.535 40.800 -0.766 0.000 1.095 200 D HN 0.709 nan 8.370 nan 0.000 0.539 201 W N 0.368 121.621 121.300 -0.078 0.000 2.317 201 W HA -0.239 4.426 4.660 0.009 0.000 0.318 201 W C 2.087 178.513 176.519 -0.155 0.000 1.227 201 W CA 2.437 59.724 57.345 -0.097 0.000 1.269 201 W CB -0.402 28.933 29.460 -0.209 0.000 1.155 201 W HN 0.203 nan 8.180 nan 0.000 0.484 202 V N -0.415 119.567 119.914 0.113 0.000 2.488 202 V HA -0.250 3.875 4.120 0.008 0.000 0.246 202 V C 1.827 177.782 176.094 -0.233 0.000 1.046 202 V CA 1.826 64.094 62.300 -0.053 0.000 1.053 202 V CB -0.696 31.129 31.823 0.004 0.000 0.679 202 V HN 0.268 nan 8.190 nan 0.000 0.458 203 Y N 0.736 120.884 120.300 -0.253 0.000 2.293 203 Y HA -0.158 4.397 4.550 0.008 0.000 0.291 203 Y C 2.554 178.371 175.900 -0.139 0.000 1.137 203 Y CA 2.048 60.019 58.100 -0.214 0.000 1.202 203 Y CB -0.056 38.153 38.460 -0.419 0.000 0.990 203 Y HN 0.399 nan 8.280 nan 0.000 0.537 204 E N 0.379 120.538 120.200 -0.068 0.000 2.031 204 E HA -0.292 4.062 4.350 0.008 0.000 0.193 204 E C 2.006 178.545 176.600 -0.102 0.000 0.994 204 E CA 1.607 57.986 56.400 -0.034 0.000 0.800 204 E CB -0.008 29.669 29.700 -0.039 0.000 0.752 204 E HN 0.437 nan 8.360 nan 0.000 0.447 205 E N 0.053 119.997 120.200 -0.426 0.000 2.076 205 E HA -0.133 4.221 4.350 0.008 0.000 0.190 205 E C 1.623 178.081 176.600 -0.236 0.000 0.979 205 E CA 1.346 57.474 56.400 -0.453 0.000 0.807 205 E CB 0.206 29.270 29.700 -1.060 0.000 0.761 205 E HN 0.198 nan 8.360 nan 0.000 0.454 206 E N -0.835 119.208 120.200 -0.261 0.000 2.447 206 E HA 0.110 4.465 4.350 0.008 0.000 0.204 206 E C 1.527 177.986 176.600 -0.234 0.000 0.977 206 E CA 0.345 56.634 56.400 -0.185 0.000 0.950 206 E CB 1.203 30.785 29.700 -0.196 0.000 0.975 206 E HN 0.201 nan 8.360 nan 0.000 0.496 207 V N -0.824 118.922 119.914 -0.279 0.000 2.948 207 V HA 0.096 4.221 4.120 0.008 0.000 0.234 207 V C 1.188 177.016 176.094 -0.444 0.000 1.205 207 V CA 0.586 62.629 62.300 -0.428 0.000 1.234 207 V CB -0.060 31.402 31.823 -0.602 0.000 1.020 207 V HN 0.021 nan 8.190 nan 0.000 0.491 208 F N 0.481 120.437 119.950 0.010 0.000 2.704 208 F HA 0.310 4.842 4.527 0.008 0.000 0.304 208 F C 1.491 177.255 175.800 -0.059 0.000 1.094 208 F CA 0.243 58.267 58.000 0.040 0.000 1.275 208 F CB 0.051 39.127 39.000 0.126 0.000 1.073 208 F HN 0.037 nan 8.300 nan 0.000 0.586 209 S N 0.732 116.447 115.700 0.025 0.000 3.521 209 S HA -0.034 4.441 4.470 0.008 0.000 0.362 209 S C 0.098 174.275 174.600 -0.704 0.000 1.044 209 S CA 0.460 58.535 58.200 -0.208 0.000 1.091 209 S CB -1.797 61.323 63.200 -0.134 0.000 0.908 209 S HN 0.642 nan 8.310 nan 0.000 0.473 210 A N -0.792 121.885 122.820 -0.237 0.000 2.608 210 A HA 0.672 4.997 4.320 0.008 0.000 0.292 210 A C -0.306 177.275 177.584 -0.004 0.000 1.066 210 A CA -0.478 51.449 52.037 -0.184 0.000 0.676 210 A CB 0.338 19.225 19.000 -0.188 0.000 1.277 210 A HN 0.309 nan 8.150 nan 0.000 0.413 211 Y N 1.416 121.580 120.300 -0.227 0.000 2.365 211 Y HA 0.038 4.593 4.550 0.008 0.000 0.293 211 Y C 1.603 177.226 175.900 -0.462 0.000 1.119 211 Y CA 1.006 58.966 58.100 -0.233 0.000 1.203 211 Y CB 0.268 38.642 38.460 -0.144 0.000 1.026 211 Y HN 0.799 nan 8.280 nan 0.000 0.549 212 S N 0.594 115.773 115.700 -0.869 0.000 2.565 212 S HA 0.501 4.976 4.470 0.008 0.000 0.276 212 S C -0.006 174.039 174.600 -0.925 0.000 1.326 212 S CA -0.228 57.218 58.200 -1.258 0.000 1.045 212 S CB 1.665 63.560 63.200 -2.174 0.000 0.918 212 S HN 0.340 nan 8.310 nan 0.000 0.505 213 A N 3.458 125.738 122.820 -0.899 0.000 3.129 213 A HA 0.559 4.883 4.320 0.008 0.000 0.282 213 A C -0.449 176.350 177.584 -1.307 0.000 0.948 213 A CA -0.589 50.787 52.037 -1.101 0.000 1.027 213 A CB -0.117 18.721 19.000 -0.270 0.000 1.123 213 A HN 0.805 nan 8.150 nan 0.000 0.485 214 L N 0.830 121.182 121.223 -1.451 0.000 2.356 214 L HA 0.566 4.911 4.340 0.008 0.000 0.277 214 L C -1.177 175.159 176.870 -0.889 0.000 0.996 214 L CA -0.505 53.821 54.840 -0.857 0.000 0.822 214 L CB 1.748 43.546 42.059 -0.435 0.000 1.256 214 L HN 0.488 nan 8.230 nan 0.000 0.413 215 W N 2.880 124.203 121.300 0.038 0.000 2.543 215 W HA 0.237 4.902 4.660 0.008 0.000 0.318 215 W C -1.005 175.697 176.519 0.306 0.000 1.002 215 W CA -1.118 56.377 57.345 0.249 0.000 1.302 215 W CB 1.352 31.022 29.460 0.351 0.000 1.299 215 W HN 0.481 nan 8.180 nan 0.000 0.424 216 W N 2.555 124.059 121.300 0.341 0.000 2.190 216 W HA 0.213 4.878 4.660 0.008 0.000 0.330 216 W C 1.301 177.630 176.519 -0.317 0.000 1.299 216 W CA 0.314 57.713 57.345 0.090 0.000 1.215 216 W CB 0.808 30.303 29.460 0.057 0.000 1.147 216 W HN 0.187 nan 8.180 nan 0.000 0.563 217 S N 2.879 118.246 115.700 -0.555 0.000 2.584 217 S HA 0.143 4.618 4.470 0.008 0.000 0.270 217 S C -1.755 172.593 174.600 -0.420 0.000 1.346 217 S CA -0.989 56.385 58.200 -1.377 0.000 1.018 217 S CB 0.958 63.356 63.200 -1.337 0.000 0.899 217 S HN 0.294 nan 8.310 nan 0.000 0.542 218 P HA -0.147 nan 4.420 nan 0.000 0.216 218 P C 0.865 178.134 177.300 -0.051 0.000 1.153 218 P CA 1.556 64.621 63.100 -0.058 0.000 0.858 218 P CB -0.219 31.490 31.700 0.016 0.000 0.789 219 N N -1.643 117.014 118.700 -0.072 0.000 2.268 219 N HA 0.123 4.867 4.740 0.008 0.000 0.204 219 N C 1.076 176.530 175.510 -0.093 0.000 1.124 219 N CA 0.401 53.411 53.050 -0.067 0.000 0.838 219 N CB -0.874 37.586 38.487 -0.046 0.000 0.994 219 N HN 0.164 nan 8.380 nan 0.000 0.489 220 G N -0.923 107.836 108.800 -0.068 0.000 2.184 220 G HA2 -0.359 3.606 3.960 0.008 0.000 0.264 220 G HA3 -0.359 3.606 3.960 0.008 0.000 0.264 220 G C 0.963 175.946 174.900 0.138 0.000 0.975 220 G CA 0.875 45.971 45.100 -0.007 0.000 0.642 220 G HN 0.398 nan 8.290 nan 0.000 0.536 221 T N 0.041 114.572 114.554 -0.039 0.000 2.668 221 T HA 0.186 4.541 4.350 0.008 0.000 0.262 221 T C 0.917 175.480 174.700 -0.230 0.000 1.045 221 T CA 1.297 63.263 62.100 -0.223 0.000 1.152 221 T CB -0.091 68.494 68.868 -0.472 0.000 0.864 221 T HN 0.264 nan 8.240 nan 0.000 0.419 222 F N 0.628 120.602 119.950 0.040 0.000 2.397 222 F HA 0.576 5.108 4.527 0.008 0.000 0.331 222 F C -0.116 175.708 175.800 0.040 0.000 1.090 222 F CA -1.576 56.480 58.000 0.093 0.000 1.065 222 F CB 0.842 40.004 39.000 0.270 0.000 1.184 222 F HN -0.057 nan 8.300 nan 0.000 0.499 223 L N 3.148 124.469 121.223 0.163 0.000 2.316 223 L HA 0.737 5.082 4.340 0.008 0.000 0.280 223 L C -0.450 176.481 176.870 0.102 0.000 1.006 223 L CA -0.640 54.125 54.840 -0.125 0.000 0.836 223 L CB 0.536 42.276 42.059 -0.531 0.000 1.221 223 L HN 0.660 nan 8.230 nan 0.000 0.418 224 A N 5.148 128.098 122.820 0.218 0.000 2.310 224 A HA 0.711 5.036 4.320 0.008 0.000 0.299 224 A C -1.259 176.369 177.584 0.073 0.000 1.147 224 A CA -0.242 51.814 52.037 0.033 0.000 0.818 224 A CB 0.336 19.463 19.000 0.213 0.000 1.096 224 A HN 0.814 nan 8.150 nan 0.000 0.495 225 Y N -1.306 118.768 120.300 -0.378 0.000 2.625 225 Y HA 0.785 5.340 4.550 0.008 0.000 0.338 225 Y C -0.278 175.461 175.900 -0.268 0.000 1.123 225 Y CA -1.008 56.960 58.100 -0.220 0.000 1.046 225 Y CB 1.021 39.332 38.460 -0.249 0.000 1.299 225 Y HN 0.868 nan 8.280 nan 0.000 0.464 226 A N 1.671 124.556 122.820 0.109 0.000 2.340 226 A HA 0.651 4.975 4.320 0.008 0.000 0.331 226 A C -1.224 176.250 177.584 -0.184 0.000 1.140 226 A CA -0.854 51.118 52.037 -0.108 0.000 0.801 226 A CB 1.717 20.589 19.000 -0.214 0.000 1.234 226 A HN 0.792 nan 8.150 nan 0.000 0.469 227 Q N 1.065 120.702 119.800 -0.271 0.000 2.330 227 Q HA 0.608 4.953 4.340 0.008 0.000 0.269 227 Q C -2.029 173.760 176.000 -0.351 0.000 1.022 227 Q CA -0.356 55.385 55.803 -0.103 0.000 0.796 227 Q CB 1.068 29.969 28.738 0.271 0.000 1.271 227 Q HN 0.612 nan 8.270 nan 0.000 0.450 228 F N 2.316 122.368 119.950 0.170 0.000 2.458 228 F HA 0.407 4.939 4.527 0.008 0.000 0.336 228 F C 0.369 176.329 175.800 0.267 0.000 1.114 228 F CA -0.927 57.154 58.000 0.135 0.000 0.987 228 F CB 1.401 40.384 39.000 -0.028 0.000 1.130 228 F HN 0.410 nan 8.300 nan 0.000 0.458 229 N N 2.004 120.930 118.700 0.378 0.000 2.479 229 N HA 0.220 4.965 4.740 0.008 0.000 0.261 229 N C -0.804 174.887 175.510 0.301 0.000 0.979 229 N CA -0.316 52.914 53.050 0.301 0.000 0.930 229 N CB 1.122 39.728 38.487 0.199 0.000 1.172 229 N HN 0.545 nan 8.380 nan 0.000 0.499 230 D N 1.442 122.039 120.400 0.328 0.000 2.424 230 D HA 0.125 4.770 4.640 0.008 0.000 0.220 230 D C 1.183 177.601 176.300 0.198 0.000 1.150 230 D CA 0.172 54.344 54.000 0.288 0.000 0.831 230 D CB 0.508 41.543 40.800 0.391 0.000 0.981 230 D HN 0.475 nan 8.370 nan 0.000 0.500 231 T N 0.395 115.044 114.554 0.159 0.000 2.653 231 T HA -0.200 4.155 4.350 0.008 0.000 0.268 231 T C 1.313 176.070 174.700 0.095 0.000 1.035 231 T CA 1.345 63.512 62.100 0.111 0.000 1.154 231 T CB -0.034 68.888 68.868 0.089 0.000 0.862 231 T HN 0.312 nan 8.240 nan 0.000 0.441 232 E N 0.226 120.484 120.200 0.096 0.000 2.501 232 E HA 0.188 4.543 4.350 0.008 0.000 0.201 232 E C -0.446 176.206 176.600 0.086 0.000 1.016 232 E CA -0.238 56.209 56.400 0.078 0.000 0.920 232 E CB 0.647 30.385 29.700 0.064 0.000 1.023 232 E HN 0.194 nan 8.360 nan 0.000 0.474 233 V N 3.809 123.790 119.914 0.112 0.000 2.508 233 V HA 0.101 4.226 4.120 0.008 0.000 0.281 233 V C -1.996 174.162 176.094 0.107 0.000 1.041 233 V CA -1.474 60.899 62.300 0.120 0.000 1.016 233 V CB 0.328 32.245 31.823 0.156 0.000 0.984 233 V HN 0.049 nan 8.190 nan 0.000 0.478 234 P HA 0.317 nan 4.420 nan 0.000 0.274 234 P C -0.848 176.496 177.300 0.073 0.000 1.237 234 P CA -0.383 62.760 63.100 0.072 0.000 0.793 234 P CB 0.543 32.281 31.700 0.063 0.000 0.977 235 L N 1.784 123.027 121.223 0.033 0.000 2.295 235 L HA 0.437 4.782 4.340 0.008 0.000 0.285 235 L C 0.458 177.284 176.870 -0.072 0.000 1.035 235 L CA -1.012 53.830 54.840 0.003 0.000 0.806 235 L CB 0.877 42.932 42.059 -0.006 0.000 1.214 235 L HN 0.288 nan 8.230 nan 0.000 0.426 236 I N 2.697 123.174 120.570 -0.155 0.000 2.529 236 I HA 0.177 4.352 4.170 0.008 0.000 0.284 236 I C -0.210 175.766 176.117 -0.235 0.000 1.082 236 I CA 0.445 61.545 61.300 -0.333 0.000 1.406 236 I CB 0.557 38.069 38.000 -0.813 0.000 1.405 236 I HN 0.591 nan 8.210 nan 0.000 0.548 237 E N 7.320 127.401 120.200 -0.197 0.000 2.248 237 E HA 0.512 4.866 4.350 0.008 0.000 0.267 237 E C -1.759 174.794 176.600 -0.079 0.000 0.877 237 E CA -0.601 55.691 56.400 -0.180 0.000 0.759 237 E CB 2.025 31.641 29.700 -0.140 0.000 1.182 237 E HN 0.578 nan 8.360 nan 0.000 0.418 238 Y N -1.780 118.431 120.300 -0.149 0.000 2.609 238 Y HA 0.530 5.085 4.550 0.008 0.000 0.336 238 Y C -0.750 175.076 175.900 -0.124 0.000 1.129 238 Y CA -1.272 56.747 58.100 -0.136 0.000 1.040 238 Y CB 0.834 39.221 38.460 -0.121 0.000 1.310 238 Y HN 0.198 nan 8.280 nan 0.000 0.460 239 S N 1.917 117.591 115.700 -0.042 0.000 2.565 239 S HA 0.423 4.898 4.470 0.008 0.000 0.274 239 S C -1.353 173.089 174.600 -0.263 0.000 1.309 239 S CA -0.375 57.647 58.200 -0.297 0.000 1.043 239 S CB 0.266 63.111 63.200 -0.592 0.000 0.939 239 S HN 0.533 nan 8.310 nan 0.000 0.504 240 F N 2.882 122.585 119.950 -0.412 0.000 2.403 240 F HA 0.407 4.939 4.527 0.008 0.000 0.355 240 F C -0.085 175.523 175.800 -0.320 0.000 1.119 240 F CA -0.846 57.009 58.000 -0.242 0.000 1.007 240 F CB 0.610 39.578 39.000 -0.053 0.000 1.194 240 F HN 0.664 nan 8.300 nan 0.000 0.443 241 Y N 2.797 122.906 120.300 -0.318 0.000 2.337 241 Y HA 0.045 4.600 4.550 0.008 0.000 0.293 241 Y C 1.772 177.617 175.900 -0.092 0.000 1.123 241 Y CA 1.216 59.217 58.100 -0.166 0.000 1.201 241 Y CB -0.628 37.719 38.460 -0.189 0.000 1.011 241 Y HN 0.729 nan 8.280 nan 0.000 0.545 242 S N -0.300 115.337 115.700 -0.105 0.000 3.513 242 S HA -0.225 4.249 4.470 0.008 0.000 0.636 242 S C -0.544 174.116 174.600 0.100 0.000 2.452 242 S CA 0.160 58.450 58.200 0.151 0.000 2.644 242 S CB -1.187 62.214 63.200 0.335 0.000 0.331 242 S HN 0.473 nan 8.310 nan 0.000 1.787 243 D N 1.631 122.107 120.400 0.128 0.000 2.419 243 D HA 0.088 4.733 4.640 0.008 0.000 0.236 243 D C 1.421 177.760 176.300 0.065 0.000 1.165 243 D CA 0.522 54.573 54.000 0.085 0.000 0.882 243 D CB 0.230 41.080 40.800 0.085 0.000 1.201 243 D HN 0.645 nan 8.370 nan 0.000 0.443 244 E N 0.847 121.072 120.200 0.042 0.000 2.208 244 E HA -0.270 4.085 4.350 0.008 0.000 0.202 244 E C 1.506 178.123 176.600 0.028 0.000 1.014 244 E CA 1.591 58.006 56.400 0.025 0.000 0.819 244 E CB 0.121 29.830 29.700 0.014 0.000 0.735 244 E HN 0.456 nan 8.360 nan 0.000 0.469 245 S N -0.075 115.647 115.700 0.037 0.000 2.515 245 S HA -0.019 4.455 4.470 0.008 0.000 0.231 245 S C 1.072 175.700 174.600 0.047 0.000 0.987 245 S CA -0.110 58.111 58.200 0.036 0.000 0.936 245 S CB -0.075 63.148 63.200 0.038 0.000 0.766 245 S HN 0.247 nan 8.310 nan 0.000 0.528 246 L N 2.403 123.663 121.223 0.062 0.000 2.385 246 L HA 0.183 4.528 4.340 0.008 0.000 0.281 246 L C 1.531 178.438 176.870 0.061 0.000 1.106 246 L CA -0.053 54.835 54.840 0.080 0.000 0.856 246 L CB 0.977 43.100 42.059 0.107 0.000 1.186 246 L HN 0.416 nan 8.230 nan 0.000 0.453 247 Q N 4.053 123.890 119.800 0.063 0.000 2.046 247 Q HA -0.112 4.233 4.340 0.008 0.000 0.200 247 Q C -0.535 175.390 176.000 -0.126 0.000 0.975 247 Q CA 1.468 57.257 55.803 -0.024 0.000 0.836 247 Q CB 0.185 28.932 28.738 0.016 0.000 0.896 247 Q HN 0.595 nan 8.270 nan 0.000 0.428 248 Y N 0.641 120.955 120.300 0.022 0.000 2.335 248 Y HA 0.359 4.913 4.550 0.008 0.000 0.338 248 Y C -2.002 173.904 175.900 0.009 0.000 0.977 248 Y CA -2.884 55.224 58.100 0.014 0.000 1.114 248 Y CB 1.278 39.738 38.460 -0.000 0.000 1.182 248 Y HN 0.169 nan 8.280 nan 0.000 0.463 249 P HA -0.038 nan 4.420 nan 0.000 0.266 249 P C -0.787 176.516 177.300 0.005 0.000 1.193 249 P CA -0.267 62.836 63.100 0.006 0.000 0.770 249 P CB 0.643 32.268 31.700 -0.124 0.000 0.836 250 K N 1.401 121.793 120.400 -0.014 0.000 2.156 250 K HA 0.316 4.641 4.320 0.008 0.000 0.271 250 K C -0.688 175.864 176.600 -0.079 0.000 0.995 250 K CA -0.367 55.913 56.287 -0.013 0.000 0.890 250 K CB 0.531 33.052 32.500 0.035 0.000 1.073 250 K HN 0.318 nan 8.250 nan 0.000 0.454 251 T N 3.403 117.896 114.554 -0.102 0.000 2.743 251 T HA 0.188 4.543 4.350 0.008 0.000 0.293 251 T C -0.391 174.184 174.700 -0.208 0.000 0.945 251 T CA -0.609 61.395 62.100 -0.159 0.000 1.030 251 T CB 0.867 69.657 68.868 -0.130 0.000 0.912 251 T HN 0.305 nan 8.240 nan 0.000 0.483 252 V N 5.631 125.326 119.914 -0.365 0.000 2.546 252 V HA 0.431 4.555 4.120 0.008 0.000 0.284 252 V C 0.462 176.302 176.094 -0.424 0.000 1.050 252 V CA -0.576 61.459 62.300 -0.442 0.000 0.981 252 V CB 0.870 32.274 31.823 -0.698 0.000 0.990 252 V HN 0.733 nan 8.190 nan 0.000 0.474 253 R N 3.417 123.791 120.500 -0.211 0.000 2.483 253 R HA 0.697 5.041 4.340 0.008 0.000 0.303 253 R C -1.739 174.551 176.300 -0.017 0.000 0.987 253 R CA -0.555 55.470 56.100 -0.126 0.000 0.881 253 R CB 2.157 32.411 30.300 -0.076 0.000 1.177 253 R HN 0.512 nan 8.270 nan 0.000 0.451 254 V N 3.962 123.868 119.914 -0.013 0.000 2.531 254 V HA 0.337 4.462 4.120 0.008 0.000 0.301 254 V C -2.369 173.781 176.094 0.092 0.000 1.034 254 V CA -2.467 59.888 62.300 0.092 0.000 0.865 254 V CB 2.160 34.004 31.823 0.034 0.000 0.995 254 V HN 0.598 nan 8.190 nan 0.000 0.424 255 P HA 0.190 nan 4.420 nan 0.000 0.270 255 P C -1.279 176.141 177.300 0.199 0.000 1.242 255 P CA 0.359 63.572 63.100 0.188 0.000 0.768 255 P CB -0.196 31.654 31.700 0.251 0.000 0.820 256 Y N 6.164 126.456 120.300 -0.014 0.000 2.307 256 Y HA 0.391 4.946 4.550 0.009 0.000 0.323 256 Y C -2.693 173.195 175.900 -0.020 0.000 1.100 256 Y CA -2.811 55.234 58.100 -0.092 0.000 1.140 256 Y CB 2.164 40.443 38.460 -0.301 0.000 1.159 256 Y HN 0.287 nan 8.280 nan 0.000 0.436 257 P HA 0.247 nan 4.420 nan 0.000 0.286 257 P C -1.134 176.243 177.300 0.129 0.000 1.321 257 P CA -0.187 62.981 63.100 0.112 0.000 0.790 257 P CB 1.345 33.092 31.700 0.079 0.000 0.897 258 K N 1.972 122.528 120.400 0.259 0.000 2.102 258 K HA 0.536 4.861 4.320 0.008 0.000 0.244 258 K C 0.563 177.277 176.600 0.190 0.000 1.021 258 K CA -0.756 55.697 56.287 0.277 0.000 0.913 258 K CB 0.510 33.186 32.500 0.293 0.000 1.062 258 K HN 0.434 nan 8.250 nan 0.000 0.485 259 A N 0.652 123.607 122.820 0.225 0.000 2.566 259 A HA 0.283 4.608 4.320 0.008 0.000 0.245 259 A C 1.178 178.813 177.584 0.084 0.000 1.056 259 A CA 0.932 53.088 52.037 0.198 0.000 0.757 259 A CB -1.195 18.003 19.000 0.330 0.000 0.979 259 A HN 0.897 nan 8.150 nan 0.000 0.508 260 G N 0.816 109.655 108.800 0.064 0.000 2.189 260 G HA2 0.097 4.061 3.960 0.008 0.000 0.267 260 G HA3 0.097 4.061 3.960 0.008 0.000 0.267 260 G C 0.637 175.557 174.900 0.034 0.000 0.975 260 G CA 0.849 45.960 45.100 0.018 0.000 0.644 260 G HN 2.161 nan 8.290 nan 0.000 0.537 261 A N -0.646 122.213 122.820 0.065 0.000 2.246 261 A HA 0.764 5.089 4.320 0.008 0.000 0.291 261 A C 0.821 178.445 177.584 0.066 0.000 1.103 261 A CA 0.196 52.274 52.037 0.068 0.000 0.844 261 A CB 0.803 19.859 19.000 0.093 0.000 1.136 261 A HN 1.138 nan 8.150 nan 0.000 0.500 262 V N 2.647 122.600 119.914 0.065 0.000 2.485 262 V HA 0.000 4.125 4.120 0.008 0.000 0.287 262 V C 0.351 176.497 176.094 0.088 0.000 1.022 262 V CA -0.072 62.266 62.300 0.064 0.000 1.067 262 V CB -0.487 31.373 31.823 0.061 0.000 0.967 262 V HN 0.778 nan 8.190 nan 0.000 0.479 263 N N 6.728 125.479 118.700 0.085 0.000 2.483 263 N HA 0.388 5.133 4.740 0.008 0.000 0.269 263 N C -2.291 173.315 175.510 0.159 0.000 1.209 263 N CA -1.470 51.658 53.050 0.130 0.000 0.969 263 N CB 0.768 39.328 38.487 0.122 0.000 1.173 263 N HN 0.388 nan 8.380 nan 0.000 0.475 264 P HA 0.024 nan 4.420 nan 0.000 0.268 264 P C -0.369 177.097 177.300 0.276 0.000 1.208 264 P CA 0.025 63.301 63.100 0.295 0.000 0.777 264 P CB 0.215 32.163 31.700 0.413 0.000 0.875 265 T N -1.434 113.257 114.554 0.227 0.000 2.945 265 T HA 0.582 4.936 4.350 0.008 0.000 0.286 265 T C -0.340 174.482 174.700 0.204 0.000 1.025 265 T CA -0.880 61.309 62.100 0.148 0.000 1.039 265 T CB 1.592 70.506 68.868 0.077 0.000 1.068 265 T HN 0.319 nan 8.240 nan 0.000 0.497 266 V N 0.900 120.911 119.914 0.162 0.000 2.789 266 V HA 0.721 4.846 4.120 0.008 0.000 0.311 266 V C -1.432 174.734 176.094 0.118 0.000 1.073 266 V CA -0.813 61.543 62.300 0.093 0.000 0.921 266 V CB 1.931 33.876 31.823 0.203 0.000 1.009 266 V HN 1.024 nan 8.190 nan 0.000 0.426 267 K N 4.950 125.349 120.400 -0.003 0.000 2.435 267 K HA 0.567 4.892 4.320 0.008 0.000 0.251 267 K C -1.892 174.587 176.600 -0.201 0.000 0.954 267 K CA -0.534 55.708 56.287 -0.076 0.000 0.820 267 K CB 2.922 35.374 32.500 -0.081 0.000 1.292 267 K HN 0.564 nan 8.250 nan 0.000 0.436 268 F N 2.413 122.007 119.950 -0.593 0.000 2.529 268 F HA 0.537 5.069 4.527 0.008 0.000 0.320 268 F C -1.497 173.728 175.800 -0.957 0.000 1.118 268 F CA -0.692 56.959 58.000 -0.580 0.000 0.915 268 F CB 0.833 39.656 39.000 -0.295 0.000 1.161 268 F HN 0.384 nan 8.300 nan 0.000 0.445 269 F N 4.115 123.333 119.950 -1.220 0.000 2.603 269 F HA 0.781 5.313 4.527 0.008 0.000 0.317 269 F C -0.942 174.166 175.800 -1.152 0.000 1.066 269 F CA -1.294 56.075 58.000 -1.052 0.000 0.941 269 F CB 2.032 40.342 39.000 -1.151 0.000 1.291 269 F HN 0.093 nan 8.300 nan 0.000 0.472 270 V N 2.449 122.114 119.914 -0.416 0.000 2.569 270 V HA 0.529 4.654 4.120 0.008 0.000 0.301 270 V C -1.180 174.982 176.094 0.113 0.000 1.044 270 V CA -0.782 61.368 62.300 -0.249 0.000 0.874 270 V CB 1.975 33.444 31.823 -0.590 0.000 1.002 270 V HN 0.613 nan 8.190 nan 0.000 0.424 271 V N 4.643 124.689 119.914 0.221 0.000 2.628 271 V HA 0.562 4.687 4.120 0.008 0.000 0.306 271 V C -0.173 176.124 176.094 0.339 0.000 1.045 271 V CA -0.606 61.853 62.300 0.266 0.000 0.905 271 V CB 2.104 34.035 31.823 0.180 0.000 0.997 271 V HN 0.916 nan 8.190 nan 0.000 0.436 272 N N 3.567 122.458 118.700 0.318 0.000 2.402 272 N HA 0.108 4.853 4.740 0.008 0.000 0.252 272 N C 1.028 176.535 175.510 -0.004 0.000 1.118 272 N CA 0.574 53.719 53.050 0.160 0.000 0.945 272 N CB 1.551 40.123 38.487 0.142 0.000 1.147 272 N HN 0.886 nan 8.380 nan 0.000 0.495 273 T N -0.442 114.086 114.554 -0.044 0.000 3.113 273 T HA 0.055 4.410 4.350 0.008 0.000 0.256 273 T C 0.661 175.301 174.700 -0.100 0.000 1.131 273 T CA 0.464 62.534 62.100 -0.050 0.000 1.074 273 T CB 0.221 69.140 68.868 0.084 0.000 0.944 273 T HN 0.235 nan 8.240 nan 0.000 0.516 274 D N 1.982 122.304 120.400 -0.131 0.000 2.271 274 D HA 0.045 4.690 4.640 0.008 0.000 0.206 274 D C 1.711 177.948 176.300 -0.106 0.000 0.967 274 D CA 0.920 54.845 54.000 -0.124 0.000 0.867 274 D CB 0.131 40.839 40.800 -0.154 0.000 0.960 274 D HN 0.630 nan 8.370 nan 0.000 0.509 275 S N 0.018 115.660 115.700 -0.096 0.000 2.561 275 S HA 0.202 4.677 4.470 0.008 0.000 0.245 275 S C 0.395 174.952 174.600 -0.073 0.000 1.001 275 S CA -0.582 57.585 58.200 -0.056 0.000 1.002 275 S CB 0.051 63.245 63.200 -0.009 0.000 0.805 275 S HN -0.114 nan 8.310 nan 0.000 0.458 276 L N 2.957 124.074 121.223 -0.176 0.000 2.455 276 L HA 0.370 4.715 4.340 0.008 0.000 0.272 276 L C 0.570 177.335 176.870 -0.175 0.000 1.174 276 L CA 0.381 55.046 54.840 -0.292 0.000 0.869 276 L CB 0.841 42.450 42.059 -0.750 0.000 1.130 276 L HN 0.376 nan 8.230 nan 0.000 0.474 277 S N 0.959 116.664 115.700 0.009 0.000 2.489 277 S HA 0.350 4.825 4.470 0.008 0.000 0.291 277 S C 0.934 175.751 174.600 0.362 0.000 1.151 277 S CA -0.186 58.108 58.200 0.156 0.000 1.082 277 S CB 0.958 64.224 63.200 0.110 0.000 1.019 277 S HN 0.694 nan 8.310 nan 0.000 0.492 278 S N 3.395 119.321 115.700 0.376 0.000 2.593 278 S HA 0.099 4.574 4.470 0.008 0.000 0.217 278 S C 1.080 175.765 174.600 0.141 0.000 0.966 278 S CA -0.038 58.313 58.200 0.251 0.000 0.914 278 S CB 0.040 63.307 63.200 0.113 0.000 0.776 278 S HN 0.496 nan 8.310 nan 0.000 0.523 279 V N 1.761 121.756 119.914 0.135 0.000 2.627 279 V HA 0.153 4.278 4.120 0.008 0.000 0.239 279 V C 1.428 177.571 176.094 0.083 0.000 1.077 279 V CA 1.338 63.691 62.300 0.088 0.000 1.103 279 V CB -0.197 31.667 31.823 0.068 0.000 0.802 279 V HN 0.749 nan 8.190 nan 0.000 0.482 280 T N -1.172 113.436 114.554 0.091 0.000 2.929 280 T HA 0.388 4.743 4.350 0.008 0.000 0.284 280 T C -0.178 174.586 174.700 0.107 0.000 1.014 280 T CA -0.683 61.459 62.100 0.070 0.000 1.051 280 T CB 1.158 70.055 68.868 0.050 0.000 1.028 280 T HN 0.117 nan 8.240 nan 0.000 0.485 281 N N 1.454 120.200 118.700 0.076 0.000 2.412 281 N HA 0.326 5.071 4.740 0.008 0.000 0.254 281 N C 0.405 175.990 175.510 0.125 0.000 1.232 281 N CA 0.055 53.183 53.050 0.131 0.000 0.880 281 N CB 0.415 38.908 38.487 0.011 0.000 1.076 281 N HN 0.993 nan 8.380 nan 0.000 0.458 282 A N 1.772 124.686 122.820 0.157 0.000 2.561 282 A HA 0.128 4.453 4.320 0.008 0.000 0.234 282 A C 0.734 178.372 177.584 0.090 0.000 1.055 282 A CA 0.160 52.256 52.037 0.099 0.000 0.756 282 A CB -0.033 19.006 19.000 0.065 0.000 0.986 282 A HN 0.575 nan 8.150 nan 0.000 0.505 283 T N 1.709 116.317 114.554 0.090 0.000 2.743 283 T HA 0.496 4.851 4.350 0.008 0.000 0.292 283 T C -0.120 174.661 174.700 0.135 0.000 0.972 283 T CA -0.351 61.811 62.100 0.102 0.000 0.967 283 T CB -0.066 68.864 68.868 0.104 0.000 0.926 283 T HN 0.529 nan 8.240 nan 0.000 0.459 284 S N 5.795 121.569 115.700 0.124 0.000 2.457 284 S HA 0.495 4.970 4.470 0.008 0.000 0.289 284 S C 0.068 174.812 174.600 0.240 0.000 1.163 284 S CA -0.831 57.467 58.200 0.163 0.000 1.078 284 S CB 0.310 63.547 63.200 0.061 0.000 0.987 284 S HN 0.657 nan 8.310 nan 0.000 0.482 285 I N 3.493 124.221 120.570 0.262 0.000 2.325 285 I HA 0.243 4.418 4.170 0.008 0.000 0.291 285 I C 0.609 176.837 176.117 0.185 0.000 1.019 285 I CA -0.223 61.239 61.300 0.270 0.000 1.302 285 I CB 0.795 39.040 38.000 0.408 0.000 1.401 285 I HN 0.674 nan 8.210 nan 0.000 0.485 286 Q N 6.263 126.150 119.800 0.145 0.000 2.293 286 Q HA 0.456 4.801 4.340 0.008 0.000 0.251 286 Q C -1.015 174.928 176.000 -0.096 0.000 0.930 286 Q CA -0.317 55.394 55.803 -0.153 0.000 0.893 286 Q CB 1.177 29.811 28.738 -0.174 0.000 1.215 286 Q HN 0.558 nan 8.270 nan 0.000 0.425 287 I N 4.121 124.606 120.570 -0.141 0.000 2.390 287 I HA 0.190 4.365 4.170 0.008 0.000 0.283 287 I C 0.129 176.225 176.117 -0.035 0.000 1.016 287 I CA -0.779 60.510 61.300 -0.018 0.000 1.151 287 I CB 1.394 39.424 38.000 0.049 0.000 1.293 287 I HN 0.679 nan 8.210 nan 0.000 0.458 288 T N 2.962 117.456 114.554 -0.100 0.000 2.918 288 T HA 0.521 4.876 4.350 0.008 0.000 0.302 288 T C 0.548 175.031 174.700 -0.362 0.000 1.045 288 T CA -0.820 61.162 62.100 -0.196 0.000 1.114 288 T CB 1.333 70.093 68.868 -0.180 0.000 0.965 288 T HN 0.589 nan 8.240 nan 0.000 0.540 289 A N 4.764 127.124 122.820 -0.766 0.000 2.466 289 A HA 0.472 4.797 4.320 0.008 0.000 0.238 289 A C -1.634 175.435 177.584 -0.858 0.000 1.074 289 A CA -1.287 49.827 52.037 -1.539 0.000 0.774 289 A CB -0.688 16.994 19.000 -2.197 0.000 1.015 289 A HN 0.823 nan 8.150 nan 0.000 0.498 290 P HA 0.142 nan 4.420 nan 0.000 0.270 290 P C 0.779 177.875 177.300 -0.341 0.000 1.223 290 P CA 0.547 63.414 63.100 -0.390 0.000 0.785 290 P CB 0.716 32.262 31.700 -0.257 0.000 0.923 291 A N 2.374 125.065 122.820 -0.214 0.000 1.986 291 A HA -0.216 4.109 4.320 0.008 0.000 0.220 291 A C 2.170 179.663 177.584 -0.151 0.000 1.171 291 A CA 2.447 54.384 52.037 -0.167 0.000 0.640 291 A CB -1.787 17.145 19.000 -0.112 0.000 0.811 291 A HN 0.678 nan 8.150 nan 0.000 0.451 292 S N -1.513 114.115 115.700 -0.121 0.000 2.474 292 S HA -0.027 4.448 4.470 0.008 0.000 0.235 292 S C 1.654 176.201 174.600 -0.088 0.000 0.997 292 S CA 1.383 59.545 58.200 -0.063 0.000 0.949 292 S CB -0.208 63.036 63.200 0.073 0.000 0.766 292 S HN 0.430 nan 8.310 nan 0.000 0.517 293 M N 0.477 119.948 119.600 -0.215 0.000 2.615 293 M HA 0.380 4.865 4.480 0.008 0.000 0.262 293 M C 1.801 177.883 176.300 -0.363 0.000 1.198 293 M CA 0.523 55.632 55.300 -0.318 0.000 1.165 293 M CB -0.882 31.355 32.600 -0.605 0.000 1.310 293 M HN 0.316 nan 8.290 nan 0.000 0.494 294 L N -0.190 120.824 121.223 -0.349 0.000 2.291 294 L HA -0.115 4.230 4.340 0.008 0.000 0.214 294 L C 2.209 179.043 176.870 -0.060 0.000 1.120 294 L CA 0.341 55.062 54.840 -0.197 0.000 0.799 294 L CB -0.544 41.395 42.059 -0.200 0.000 0.925 294 L HN 0.147 nan 8.230 nan 0.000 0.446 295 I N -0.276 120.250 120.570 -0.074 0.000 2.700 295 I HA -0.073 4.101 4.170 0.008 0.000 0.261 295 I C 1.069 177.175 176.117 -0.018 0.000 1.219 295 I CA 0.666 61.937 61.300 -0.049 0.000 1.463 295 I CB -0.295 37.664 38.000 -0.068 0.000 1.092 295 I HN 0.181 nan 8.210 nan 0.000 0.452 296 G N -1.734 107.078 108.800 0.021 0.000 2.634 296 G HA2 0.216 4.181 3.960 0.008 0.000 0.309 296 G HA3 0.216 4.181 3.960 0.008 0.000 0.309 296 G C -1.568 173.373 174.900 0.067 0.000 1.299 296 G CA -0.717 44.398 45.100 0.026 0.000 0.798 296 G HN -0.135 nan 8.290 nan 0.000 0.490 297 D N 1.323 121.707 120.400 -0.027 0.000 2.488 297 D HA 0.398 5.043 4.640 0.008 0.000 0.238 297 D C 0.478 176.689 176.300 -0.147 0.000 1.138 297 D CA 0.854 54.765 54.000 -0.148 0.000 0.873 297 D CB 0.310 41.015 40.800 -0.159 0.000 1.183 297 D HN 0.562 nan 8.370 nan 0.000 0.458 298 H N -0.779 118.138 119.070 -0.255 0.000 2.918 298 H HA 0.453 5.014 4.556 0.008 0.000 0.303 298 H C -1.352 173.801 175.328 -0.290 0.000 1.380 298 H CA -0.827 55.076 56.048 -0.243 0.000 1.134 298 H CB 0.453 30.204 29.762 -0.017 0.000 1.842 298 H HN 0.301 nan 8.280 nan 0.000 0.533 299 Y N -0.066 120.521 120.300 0.480 0.000 2.576 299 Y HA 0.410 4.964 4.550 0.008 0.000 0.346 299 Y C -0.499 175.741 175.900 0.565 0.000 1.018 299 Y CA -1.129 57.259 58.100 0.480 0.000 1.050 299 Y CB 2.031 40.597 38.460 0.177 0.000 1.280 299 Y HN 0.505 nan 8.280 nan 0.000 0.474 300 L N 2.730 124.357 121.223 0.674 0.000 2.264 300 L HA 0.440 4.784 4.340 0.008 0.000 0.289 300 L C 0.345 177.299 176.870 0.140 0.000 1.044 300 L CA -0.195 54.661 54.840 0.027 0.000 0.807 300 L CB 0.502 42.443 42.059 -0.197 0.000 1.192 300 L HN 0.990 nan 8.230 nan 0.000 0.425 301 C N 0.692 119.900 119.300 -0.154 0.000 3.403 301 C HA 0.586 5.051 4.460 0.008 0.000 0.317 301 C C 0.223 174.981 174.990 -0.385 0.000 1.346 301 C CA -0.282 58.553 59.018 -0.305 0.000 1.743 301 C CB -1.058 26.565 27.740 -0.196 0.000 2.308 301 C HN 0.866 nan 8.230 nan 0.000 0.675 302 D N -0.206 120.011 120.400 -0.304 0.000 2.927 302 D HA 0.589 5.234 4.640 0.008 0.000 0.219 302 D C -1.500 174.524 176.300 -0.460 0.000 1.248 302 D CA -0.138 53.709 54.000 -0.254 0.000 0.861 302 D CB 2.336 42.988 40.800 -0.248 0.000 1.677 302 D HN 0.019 nan 8.370 nan 0.000 0.511 303 V N 2.611 122.206 119.914 -0.531 0.000 2.483 303 V HA 0.699 4.824 4.120 0.008 0.000 0.297 303 V C -0.604 175.129 176.094 -0.600 0.000 1.027 303 V CA -0.415 61.341 62.300 -0.907 0.000 0.855 303 V CB 1.980 32.720 31.823 -1.805 0.000 0.995 303 V HN 0.727 nan 8.190 nan 0.000 0.424 304 T N 3.587 117.861 114.554 -0.465 0.000 3.143 304 T HA 0.309 4.664 4.350 0.008 0.000 0.312 304 T C -0.943 173.645 174.700 -0.186 0.000 0.986 304 T CA -0.511 61.480 62.100 -0.181 0.000 1.024 304 T CB 0.710 69.534 68.868 -0.073 0.000 1.030 304 T HN 0.516 nan 8.240 nan 0.000 0.448 305 W N 2.154 123.412 121.300 -0.069 0.000 2.216 305 W HA 0.479 5.143 4.660 0.008 0.000 0.326 305 W C 1.188 177.599 176.519 -0.180 0.000 1.319 305 W CA -0.247 57.047 57.345 -0.085 0.000 1.213 305 W CB 0.559 30.047 29.460 0.047 0.000 1.171 305 W HN 0.844 nan 8.180 nan 0.000 0.557 306 A N 1.888 124.599 122.820 -0.180 0.000 1.920 306 A HA 0.186 4.511 4.320 0.008 0.000 0.209 306 A C 0.970 178.512 177.584 -0.070 0.000 1.229 306 A CA 1.587 53.268 52.037 -0.593 0.000 0.671 306 A CB -0.446 17.747 19.000 -1.345 0.000 0.886 306 A HN 0.549 nan 8.150 nan 0.000 0.461 307 T N -5.599 109.013 114.554 0.097 0.000 2.590 307 T HA 0.339 4.693 4.350 0.008 0.000 0.282 307 T C 0.265 175.130 174.700 0.276 0.000 0.989 307 T CA -0.321 61.880 62.100 0.169 0.000 1.091 307 T CB 0.550 69.499 68.868 0.135 0.000 1.460 307 T HN -0.038 nan 8.240 nan 0.000 0.499 308 Q N 0.414 120.344 119.800 0.218 0.000 2.291 308 Q HA 0.082 4.427 4.340 0.008 0.000 0.205 308 Q C 0.776 177.038 176.000 0.436 0.000 0.970 308 Q CA 1.361 57.296 55.803 0.220 0.000 0.876 308 Q CB -0.049 28.779 28.738 0.150 0.000 0.935 308 Q HN 0.802 nan 8.270 nan 0.000 0.455 309 E N -0.108 120.361 120.200 0.448 0.000 2.876 309 E HA 0.203 4.557 4.350 0.008 0.000 0.208 309 E C -0.303 176.586 176.600 0.481 0.000 0.981 309 E CA -0.157 56.536 56.400 0.488 0.000 1.174 309 E CB 1.057 30.942 29.700 0.309 0.000 1.047 309 E HN -0.035 nan 8.360 nan 0.000 0.477 310 R N 1.575 122.383 120.500 0.514 0.000 2.510 310 R HA 0.484 4.828 4.340 0.008 0.000 0.287 310 R C -1.853 174.482 176.300 0.058 0.000 1.084 310 R CA -0.428 55.831 56.100 0.265 0.000 0.934 310 R CB 1.334 31.674 30.300 0.067 0.000 1.201 310 R HN 0.088 nan 8.270 nan 0.000 0.431 311 I N 3.205 123.619 120.570 -0.261 0.000 2.569 311 I HA 0.438 4.613 4.170 0.008 0.000 0.296 311 I C -0.836 174.962 176.117 -0.533 0.000 1.028 311 I CA -0.548 60.319 61.300 -0.721 0.000 1.082 311 I CB 2.225 39.340 38.000 -1.476 0.000 1.264 311 I HN 0.842 nan 8.210 nan 0.000 0.429 312 S N 7.393 122.781 115.700 -0.520 0.000 2.454 312 S HA 0.767 5.242 4.470 0.008 0.000 0.306 312 S C -1.055 173.225 174.600 -0.533 0.000 1.100 312 S CA -0.705 57.259 58.200 -0.392 0.000 1.087 312 S CB 1.519 64.607 63.200 -0.187 0.000 1.019 312 S HN 0.418 nan 8.310 nan 0.000 0.480 313 L N 2.503 123.407 121.223 -0.531 0.000 2.365 313 L HA 0.564 4.909 4.340 0.008 0.000 0.273 313 L C 0.006 176.530 176.870 -0.578 0.000 1.000 313 L CA -0.406 53.993 54.840 -0.735 0.000 0.819 313 L CB 1.802 43.288 42.059 -0.955 0.000 1.284 313 L HN 0.726 nan 8.230 nan 0.000 0.418 314 Q N 1.496 120.917 119.800 -0.631 0.000 2.312 314 Q HA 0.527 4.872 4.340 0.008 0.000 0.263 314 Q C -1.673 174.032 176.000 -0.491 0.000 0.995 314 Q CA -0.479 55.076 55.803 -0.413 0.000 0.853 314 Q CB 2.099 30.668 28.738 -0.282 0.000 1.300 314 Q HN 0.507 nan 8.270 nan 0.000 0.448 315 W N 2.415 123.648 121.300 -0.111 0.000 2.761 315 W HA 0.626 5.291 4.660 0.008 0.000 0.340 315 W C -0.840 175.691 176.519 0.018 0.000 1.072 315 W CA -0.529 56.798 57.345 -0.029 0.000 1.215 315 W CB 1.320 30.730 29.460 -0.083 0.000 1.420 315 W HN 0.293 nan 8.180 nan 0.000 0.519 316 L N 3.199 124.646 121.223 0.373 0.000 2.385 316 L HA 0.528 4.873 4.340 0.008 0.000 0.273 316 L C 0.258 177.325 176.870 0.327 0.000 0.990 316 L CA -1.123 53.897 54.840 0.301 0.000 0.821 316 L CB 1.498 43.733 42.059 0.294 0.000 1.279 316 L HN 0.481 nan 8.230 nan 0.000 0.412 317 R N 1.947 122.602 120.500 0.258 0.000 2.734 317 R HA 0.036 4.381 4.340 0.008 0.000 0.266 317 R C 1.007 177.386 176.300 0.132 0.000 1.044 317 R CA -0.055 56.152 56.100 0.178 0.000 1.128 317 R CB 0.660 31.058 30.300 0.163 0.000 1.010 317 R HN 0.578 nan 8.270 nan 0.000 0.461 318 R N 1.618 122.111 120.500 -0.011 0.000 2.105 318 R HA -0.092 4.253 4.340 0.008 0.000 0.239 318 R C 0.308 176.675 176.300 0.111 0.000 1.135 318 R CA 1.270 57.356 56.100 -0.023 0.000 0.967 318 R CB -0.049 30.186 30.300 -0.107 0.000 0.861 318 R HN 0.490 nan 8.270 nan 0.000 0.442 319 I N 2.273 122.891 120.570 0.079 0.000 2.347 319 I HA 0.001 4.175 4.170 0.008 0.000 0.294 319 I C 0.328 176.512 176.117 0.112 0.000 1.090 319 I CA 0.292 61.639 61.300 0.079 0.000 1.314 319 I CB 1.412 39.443 38.000 0.051 0.000 1.423 319 I HN 0.188 nan 8.210 nan 0.000 0.503 320 Q N 4.926 124.789 119.800 0.106 0.000 2.292 320 Q HA 0.008 4.353 4.340 0.008 0.000 0.247 320 Q C 0.525 176.605 176.000 0.133 0.000 0.911 320 Q CA -0.069 55.810 55.803 0.126 0.000 0.948 320 Q CB -0.305 28.472 28.738 0.065 0.000 1.093 320 Q HN 0.670 nan 8.270 nan 0.000 0.428 321 N N -0.874 117.905 118.700 0.133 0.000 2.203 321 N HA -0.043 4.701 4.740 0.008 0.000 0.207 321 N C -0.997 174.620 175.510 0.178 0.000 1.130 321 N CA -0.133 52.987 53.050 0.116 0.000 0.861 321 N CB 0.330 38.859 38.487 0.071 0.000 1.005 321 N HN 0.160 nan 8.380 nan 0.000 0.507 322 Y N 1.208 121.533 120.300 0.042 0.000 2.332 322 Y HA 0.527 5.081 4.550 0.008 0.000 0.325 322 Y C -1.045 174.889 175.900 0.057 0.000 1.054 322 Y CA -0.977 57.145 58.100 0.038 0.000 1.119 322 Y CB 1.455 39.930 38.460 0.025 0.000 1.168 322 Y HN 0.158 nan 8.280 nan 0.000 0.439 323 S N 3.918 119.473 115.700 -0.242 0.000 2.570 323 S HA 0.935 5.409 4.470 0.008 0.000 0.286 323 S C -1.792 172.655 174.600 -0.256 0.000 1.099 323 S CA -0.778 57.346 58.200 -0.128 0.000 0.913 323 S CB 2.028 65.202 63.200 -0.044 0.000 1.085 323 S HN 0.398 nan 8.310 nan 0.000 0.480 324 V N 2.543 122.411 119.914 -0.077 0.000 2.709 324 V HA 0.538 4.663 4.120 0.008 0.000 0.308 324 V C -0.608 175.493 176.094 0.011 0.000 1.062 324 V CA -0.678 61.586 62.300 -0.060 0.000 0.901 324 V CB 1.946 33.760 31.823 -0.015 0.000 1.003 324 V HN 1.030 nan 8.190 nan 0.000 0.425 325 M N 3.631 123.212 119.600 -0.031 0.000 2.149 325 M HA 0.480 4.965 4.480 0.008 0.000 0.342 325 M C -1.195 175.106 176.300 0.001 0.000 1.068 325 M CA -0.393 54.866 55.300 -0.069 0.000 0.991 325 M CB 0.940 33.425 32.600 -0.191 0.000 1.596 325 M HN 0.618 nan 8.290 nan 0.000 0.439 326 D N 4.885 125.285 120.400 -0.001 0.000 2.175 326 D HA 0.433 5.077 4.640 0.008 0.000 0.248 326 D C -0.981 175.286 176.300 -0.055 0.000 1.047 326 D CA -0.010 53.992 54.000 0.004 0.000 0.883 326 D CB 1.489 42.310 40.800 0.035 0.000 1.180 326 D HN 0.527 nan 8.370 nan 0.000 0.438 327 I N 2.606 123.174 120.570 -0.004 0.000 2.354 327 I HA 0.195 4.369 4.170 0.008 0.000 0.286 327 I C -0.516 175.600 176.117 -0.002 0.000 1.007 327 I CA -0.291 60.996 61.300 -0.021 0.000 1.167 327 I CB 0.964 39.000 38.000 0.059 0.000 1.320 327 I HN 0.231 nan 8.210 nan 0.000 0.458 328 c N 4.332 122.916 118.600 -0.026 0.000 2.322 328 c HA 0.553 5.128 4.570 0.008 0.000 0.324 328 c C -0.364 173.871 174.090 0.243 0.000 1.284 328 c CA -0.847 55.536 56.329 0.089 0.000 1.606 328 c CB 0.404 42.949 42.510 0.058 0.000 2.251 328 c HN 0.577 nan 8.230 nan 0.000 0.502 329 D N 0.871 121.397 120.400 0.210 0.000 2.185 329 D HA 0.243 4.887 4.640 0.008 0.000 0.247 329 D C -0.503 175.734 176.300 -0.106 0.000 1.027 329 D CA -0.258 53.823 54.000 0.134 0.000 0.861 329 D CB 0.992 41.816 40.800 0.039 0.000 1.202 329 D HN 0.587 nan 8.370 nan 0.000 0.453 330 Y N 1.552 121.453 120.300 -0.665 0.000 2.442 330 Y HA 0.171 4.726 4.550 0.008 0.000 0.330 330 Y C -0.007 175.584 175.900 -0.514 0.000 1.129 330 Y CA 0.123 57.500 58.100 -1.204 0.000 1.365 330 Y CB 0.564 38.229 38.460 -1.326 0.000 1.233 330 Y HN 0.177 nan 8.280 nan 0.000 0.529 331 D N 4.422 124.133 120.400 -1.149 0.000 2.163 331 D HA 0.166 4.810 4.640 0.008 0.000 0.248 331 D C 0.440 176.216 176.300 -0.873 0.000 1.035 331 D CA -0.301 53.256 54.000 -0.737 0.000 0.872 331 D CB 1.371 41.908 40.800 -0.439 0.000 1.183 331 D HN 0.644 nan 8.370 nan 0.000 0.445 332 E N 1.071 121.009 120.200 -0.437 0.000 2.004 332 E HA -0.103 4.251 4.350 0.008 0.000 0.193 332 E C 1.404 177.899 176.600 -0.175 0.000 0.985 332 E CA 1.051 57.300 56.400 -0.252 0.000 0.832 332 E CB -0.749 28.887 29.700 -0.107 0.000 0.787 332 E HN 0.543 nan 8.360 nan 0.000 0.466 333 S N 0.221 115.848 115.700 -0.122 0.000 2.803 333 S HA 0.049 4.524 4.470 0.008 0.000 0.228 333 S C 1.343 175.896 174.600 -0.078 0.000 0.953 333 S CA 0.694 58.850 58.200 -0.073 0.000 0.983 333 S CB -0.217 62.954 63.200 -0.047 0.000 0.784 333 S HN 0.182 nan 8.310 nan 0.000 0.498 334 S N -0.733 114.889 115.700 -0.130 0.000 2.663 334 S HA 0.503 4.978 4.470 0.008 0.000 0.247 334 S C 1.591 176.133 174.600 -0.097 0.000 1.074 334 S CA 0.483 58.621 58.200 -0.104 0.000 0.955 334 S CB -0.446 62.684 63.200 -0.116 0.000 0.901 334 S HN 1.401 nan 8.310 nan 0.000 0.505 335 G N 1.885 110.568 108.800 -0.196 0.000 2.168 335 G HA2 -0.278 3.686 3.960 0.008 0.000 0.263 335 G HA3 -0.278 3.686 3.960 0.008 0.000 0.263 335 G C 0.173 175.053 174.900 -0.032 0.000 0.977 335 G CA 0.547 45.603 45.100 -0.072 0.000 0.659 335 G HN 0.655 nan 8.290 nan 0.000 0.533 336 R N -1.824 118.563 120.500 -0.188 0.000 2.705 336 R HA 0.661 5.006 4.340 0.008 0.000 0.246 336 R C -0.726 175.433 176.300 -0.234 0.000 1.142 336 R CA -0.758 55.312 56.100 -0.051 0.000 1.114 336 R CB 0.690 30.989 30.300 -0.001 0.000 1.256 336 R HN 0.169 nan 8.270 nan 0.000 0.536 337 W N 0.283 121.577 121.300 -0.011 0.000 2.532 337 W HA 0.394 5.059 4.660 0.008 0.000 0.321 337 W C -0.640 175.852 176.519 -0.045 0.000 1.037 337 W CA -0.350 56.981 57.345 -0.024 0.000 1.220 337 W CB 1.203 30.651 29.460 -0.019 0.000 1.361 337 W HN 0.397 nan 8.180 nan 0.000 0.468 338 N N 2.290 121.061 118.700 0.119 0.000 2.372 338 N HA 0.514 5.258 4.740 0.008 0.000 0.285 338 N C -1.470 174.080 175.510 0.067 0.000 1.008 338 N CA -0.716 52.368 53.050 0.056 0.000 0.880 338 N CB 1.210 39.690 38.487 -0.010 0.000 1.239 338 N HN 0.199 nan 8.380 nan 0.000 0.484 339 c N 3.126 121.752 118.600 0.043 0.000 2.250 339 c HA 0.335 4.910 4.570 0.008 0.000 0.319 339 c C 0.174 174.268 174.090 0.007 0.000 1.124 339 c CA -1.024 55.320 56.329 0.026 0.000 1.527 339 c CB -1.511 41.005 42.510 0.010 0.000 2.001 339 c HN 0.609 nan 8.230 nan 0.000 0.435 340 L N 2.654 123.884 121.223 0.012 0.000 2.601 340 L HA -0.024 4.321 4.340 0.008 0.000 0.277 340 L C 1.625 178.490 176.870 -0.007 0.000 1.219 340 L CA 0.697 55.537 54.840 0.001 0.000 0.915 340 L CB 0.337 42.401 42.059 0.009 0.000 1.160 340 L HN 0.632 nan 8.230 nan 0.000 0.494 341 V N 4.234 124.136 119.914 -0.020 0.000 2.453 341 V HA -0.352 3.772 4.120 0.008 0.000 0.252 341 V C 2.162 178.235 176.094 -0.036 0.000 1.068 341 V CA 2.114 64.395 62.300 -0.031 0.000 1.070 341 V CB -0.758 31.045 31.823 -0.034 0.000 0.664 341 V HN 1.031 nan 8.190 nan 0.000 0.461 342 A N -0.963 121.839 122.820 -0.030 0.000 2.119 342 A HA -0.121 4.203 4.320 0.008 0.000 0.217 342 A C 2.245 179.799 177.584 -0.050 0.000 1.153 342 A CA 1.075 53.088 52.037 -0.040 0.000 0.692 342 A CB -0.404 18.582 19.000 -0.025 0.000 0.799 342 A HN 0.506 nan 8.150 nan 0.000 0.458 343 R N -0.424 120.069 120.500 -0.012 0.000 2.359 343 R HA 0.127 4.472 4.340 0.008 0.000 0.231 343 R C -0.053 176.280 176.300 0.054 0.000 0.913 343 R CA -0.111 56.020 56.100 0.051 0.000 1.075 343 R CB 0.114 30.478 30.300 0.106 0.000 1.087 343 R HN 0.604 nan 8.270 nan 0.000 0.515 344 Q N 0.328 120.096 119.800 -0.053 0.000 2.313 344 Q HA 0.051 4.395 4.340 0.008 0.000 0.266 344 Q C -0.983 174.898 176.000 -0.199 0.000 0.989 344 Q CA 0.459 56.237 55.803 -0.041 0.000 0.890 344 Q CB 0.888 29.598 28.738 -0.047 0.000 1.200 344 Q HN 0.202 nan 8.270 nan 0.000 0.396 345 H N 1.673 120.725 119.070 -0.030 0.000 2.539 345 H HA 0.397 4.958 4.556 0.008 0.000 0.332 345 H C -0.760 174.515 175.328 -0.088 0.000 1.031 345 H CA -0.415 55.615 56.048 -0.030 0.000 1.206 345 H CB 0.866 30.600 29.762 -0.047 0.000 1.446 345 H HN 0.452 nan 8.280 nan 0.000 0.496 346 I N 2.303 122.864 120.570 -0.015 0.000 2.353 346 I HA 0.191 4.366 4.170 0.008 0.000 0.293 346 I C 0.098 176.151 176.117 -0.106 0.000 0.992 346 I CA -0.160 61.050 61.300 -0.149 0.000 1.268 346 I CB 1.147 39.043 38.000 -0.175 0.000 1.387 346 I HN 0.558 nan 8.210 nan 0.000 0.478 347 E N 8.584 128.675 120.200 -0.181 0.000 2.182 347 E HA 0.508 4.863 4.350 0.008 0.000 0.258 347 E C -1.102 175.412 176.600 -0.144 0.000 0.879 347 E CA -0.661 55.680 56.400 -0.098 0.000 0.754 347 E CB 1.230 30.898 29.700 -0.054 0.000 1.162 347 E HN 0.620 nan 8.360 nan 0.000 0.419 348 M N 1.241 120.796 119.600 -0.075 0.000 2.691 348 M HA 0.656 5.141 4.480 0.008 0.000 0.293 348 M C -1.084 175.223 176.300 0.012 0.000 1.259 348 M CA -0.882 54.409 55.300 -0.015 0.000 0.827 348 M CB 2.355 35.001 32.600 0.076 0.000 1.753 348 M HN 0.220 nan 8.290 nan 0.000 0.465 349 S N -0.388 115.324 115.700 0.019 0.000 2.571 349 S HA 0.473 4.947 4.470 0.008 0.000 0.284 349 S C 0.343 174.929 174.600 -0.024 0.000 1.128 349 S CA -0.015 58.171 58.200 -0.023 0.000 0.970 349 S CB 1.719 64.864 63.200 -0.092 0.000 1.039 349 S HN 0.926 nan 8.310 nan 0.000 0.485 350 T N 0.096 114.636 114.554 -0.024 0.000 3.054 350 T HA 0.022 4.376 4.350 0.008 0.000 0.259 350 T C 1.396 176.066 174.700 -0.050 0.000 1.092 350 T CA 1.176 63.264 62.100 -0.020 0.000 1.121 350 T CB -0.429 68.436 68.868 -0.006 0.000 0.912 350 T HN 0.680 nan 8.240 nan 0.000 0.489 351 T N -2.479 112.022 114.554 -0.089 0.000 3.044 351 T HA 0.642 4.997 4.350 0.008 0.000 0.260 351 T C 0.941 175.427 174.700 -0.357 0.000 1.019 351 T CA 0.190 62.223 62.100 -0.111 0.000 0.921 351 T CB 0.591 69.466 68.868 0.011 0.000 1.053 351 T HN 0.667 nan 8.240 nan 0.000 0.533 352 G N 0.529 108.987 108.800 -0.571 0.000 2.529 352 G HA2 0.465 4.430 3.960 0.008 0.000 0.238 352 G HA3 0.465 4.430 3.960 0.008 0.000 0.238 352 G C -1.610 173.049 174.900 -0.402 0.000 1.207 352 G CA -0.604 43.987 45.100 -0.849 0.000 0.928 352 G HN 0.467 nan 8.290 nan 0.000 0.495 353 W N -0.415 120.655 121.300 -0.383 0.000 2.116 353 W HA 0.751 5.416 4.660 0.008 0.000 0.374 353 W C -0.044 176.429 176.519 -0.076 0.000 1.445 353 W CA -1.148 56.088 57.345 -0.181 0.000 1.582 353 W CB 0.738 30.072 29.460 -0.211 0.000 1.263 353 W HN 0.484 nan 8.180 nan 0.000 0.683 354 V N 2.894 122.881 119.914 0.121 0.000 2.394 354 V HA 0.766 4.891 4.120 0.008 0.000 0.282 354 V C 0.367 176.523 176.094 0.103 0.000 1.031 354 V CA 0.459 62.777 62.300 0.031 0.000 0.881 354 V CB 0.227 32.068 31.823 0.031 0.000 0.982 354 V HN 1.663 nan 8.190 nan 0.000 0.451 355 G N 6.271 115.078 108.800 0.012 0.000 2.757 355 G HA2 -0.182 3.782 3.960 0.008 0.000 0.638 355 G HA3 -0.182 3.782 3.960 0.008 0.000 0.638 355 G C 0.218 175.178 174.900 0.100 0.000 1.344 355 G CA 0.195 45.331 45.100 0.060 0.000 0.855 355 G HN 0.861 nan 8.290 nan 0.000 0.537 356 R N -0.911 119.644 120.500 0.091 0.000 2.057 356 R HA 0.153 4.497 4.340 0.008 0.000 0.229 356 R C 2.004 178.267 176.300 -0.062 0.000 1.136 356 R CA 2.163 58.263 56.100 -0.000 0.000 0.952 356 R CB -0.103 30.178 30.300 -0.032 0.000 0.848 356 R HN 0.470 nan 8.270 nan 0.000 0.430 357 F N -0.961 119.135 119.950 0.243 0.000 2.819 357 F HA 0.245 4.777 4.527 0.008 0.000 0.325 357 F C 0.456 176.286 175.800 0.050 0.000 1.041 357 F CA -0.450 57.638 58.000 0.146 0.000 1.184 357 F CB 0.703 39.776 39.000 0.122 0.000 1.019 357 F HN -0.114 nan 8.300 nan 0.000 0.590 358 R N -0.753 119.881 120.500 0.223 0.000 2.716 358 R HA 0.506 4.851 4.340 0.008 0.000 0.271 358 R C -3.317 173.027 176.300 0.073 0.000 1.028 358 R CA -1.979 54.169 56.100 0.081 0.000 0.883 358 R CB 0.564 30.848 30.300 -0.027 0.000 1.250 358 R HN -0.353 nan 8.270 nan 0.000 0.465 359 P HA -0.030 nan 4.420 nan 0.000 0.265 359 P C -0.357 176.944 177.300 0.001 0.000 1.187 359 P CA 0.090 63.193 63.100 0.004 0.000 0.766 359 P CB 0.874 32.551 31.700 -0.039 0.000 0.820 360 S N 1.809 117.524 115.700 0.025 0.000 2.584 360 S HA 0.089 4.563 4.470 0.008 0.000 0.270 360 S C 0.186 174.791 174.600 0.007 0.000 1.346 360 S CA -0.593 57.639 58.200 0.052 0.000 1.018 360 S CB 0.022 63.276 63.200 0.090 0.000 0.899 360 S HN 0.452 nan 8.310 nan 0.000 0.542 361 E N 3.787 124.011 120.200 0.041 0.000 2.301 361 E HA 0.405 4.759 4.350 0.008 0.000 0.275 361 E C -2.783 173.805 176.600 -0.020 0.000 1.030 361 E CA -2.296 54.088 56.400 -0.027 0.000 0.852 361 E CB 0.416 30.105 29.700 -0.017 0.000 1.060 361 E HN 0.303 nan 8.360 nan 0.000 0.401 362 P HA 0.253 nan 4.420 nan 0.000 0.281 362 P C -0.734 176.455 177.300 -0.185 0.000 1.249 362 P CA -0.331 62.620 63.100 -0.247 0.000 0.810 362 P CB 0.732 31.924 31.700 -0.846 0.000 1.008 363 H N 2.060 121.127 119.070 -0.004 0.000 2.792 363 H HA 0.282 4.843 4.556 0.008 0.000 0.298 363 H C -0.333 175.111 175.328 0.193 0.000 1.042 363 H CA -0.364 55.778 56.048 0.157 0.000 1.300 363 H CB 0.205 30.097 29.762 0.217 0.000 1.431 363 H HN 0.314 nan 8.280 nan 0.000 0.496 364 F N 2.064 122.194 119.950 0.300 0.000 2.429 364 F HA 0.020 4.552 4.527 0.008 0.000 0.348 364 F C 1.632 177.617 175.800 0.309 0.000 1.109 364 F CA -0.400 57.779 58.000 0.300 0.000 1.232 364 F CB 0.906 40.018 39.000 0.186 0.000 1.157 364 F HN 0.374 nan 8.300 nan 0.000 0.564 365 T N 1.108 115.951 114.554 0.482 0.000 2.855 365 T HA 0.040 4.394 4.350 0.008 0.000 0.314 365 T C 1.156 176.046 174.700 0.316 0.000 1.077 365 T CA -0.807 61.519 62.100 0.377 0.000 1.095 365 T CB 0.713 69.781 68.868 0.333 0.000 0.987 365 T HN 0.619 nan 8.240 nan 0.000 0.546 366 L N 1.355 122.720 121.223 0.236 0.000 2.051 366 L HA -0.144 4.201 4.340 0.008 0.000 0.214 366 L C 2.201 179.175 176.870 0.173 0.000 1.076 366 L CA 2.527 57.480 54.840 0.188 0.000 0.758 366 L CB -1.088 41.056 42.059 0.143 0.000 0.890 366 L HN 0.945 nan 8.230 nan 0.000 0.433 367 D N -1.281 119.220 120.400 0.169 0.000 2.371 367 D HA -0.003 4.642 4.640 0.008 0.000 0.221 367 D C 1.662 178.059 176.300 0.161 0.000 0.986 367 D CA 0.837 54.925 54.000 0.146 0.000 0.899 367 D CB -0.602 40.273 40.800 0.126 0.000 0.902 367 D HN 0.501 nan 8.370 nan 0.000 0.530 368 G N 0.999 109.934 108.800 0.224 0.000 2.168 368 G HA2 -0.337 3.628 3.960 0.008 0.000 0.257 368 G HA3 -0.337 3.628 3.960 0.008 0.000 0.257 368 G C 0.796 175.873 174.900 0.295 0.000 0.997 368 G CA 0.424 45.672 45.100 0.246 0.000 0.708 368 G HN 0.377 nan 8.290 nan 0.000 0.520 369 N N -0.046 118.808 118.700 0.256 0.000 2.353 369 N HA 0.199 4.944 4.740 0.008 0.000 0.185 369 N C 0.506 176.130 175.510 0.190 0.000 1.098 369 N CA 0.930 54.103 53.050 0.205 0.000 0.872 369 N CB 0.500 39.066 38.487 0.132 0.000 0.970 369 N HN 0.415 nan 8.380 nan 0.000 0.467 370 S N -0.213 115.633 115.700 0.243 0.000 2.588 370 S HA 0.716 5.190 4.470 0.008 0.000 0.275 370 S C -1.127 173.540 174.600 0.112 0.000 1.130 370 S CA -0.808 57.404 58.200 0.020 0.000 0.855 370 S CB 1.764 64.959 63.200 -0.009 0.000 1.116 370 S HN 0.221 nan 8.310 nan 0.000 0.472 371 F N -0.738 119.009 119.950 -0.338 0.000 2.668 371 F HA 0.787 5.318 4.527 0.008 0.000 0.309 371 F C -2.112 173.484 175.800 -0.339 0.000 1.117 371 F CA -1.336 56.403 58.000 -0.435 0.000 0.951 371 F CB 0.704 39.040 39.000 -1.107 0.000 1.323 371 F HN 0.484 nan 8.300 nan 0.000 0.451 372 Y N 1.232 121.668 120.300 0.226 0.000 2.377 372 Y HA 0.680 5.235 4.550 0.008 0.000 0.339 372 Y C -0.509 175.553 175.900 0.271 0.000 1.011 372 Y CA -0.821 57.406 58.100 0.213 0.000 1.093 372 Y CB 2.172 40.716 38.460 0.139 0.000 1.201 372 Y HN 0.707 nan 8.280 nan 0.000 0.455 373 K N 1.130 121.767 120.400 0.396 0.000 2.551 373 K HA 0.647 4.972 4.320 0.008 0.000 0.269 373 K C -1.753 174.989 176.600 0.237 0.000 0.949 373 K CA -0.777 55.685 56.287 0.292 0.000 0.849 373 K CB 1.718 34.333 32.500 0.191 0.000 1.411 373 K HN 0.549 nan 8.250 nan 0.000 0.432 374 I N 3.520 124.196 120.570 0.178 0.000 2.452 374 I HA 0.265 4.439 4.170 0.008 0.000 0.287 374 I C 0.046 176.253 176.117 0.151 0.000 1.079 374 I CA -0.337 61.050 61.300 0.145 0.000 1.387 374 I CB -0.003 38.058 38.000 0.102 0.000 1.404 374 I HN 0.594 nan 8.210 nan 0.000 0.522 375 I N 2.374 123.067 120.570 0.206 0.000 2.969 375 I HA 0.560 4.735 4.170 0.008 0.000 0.307 375 I C -0.081 176.159 176.117 0.205 0.000 1.149 375 I CA -0.866 60.552 61.300 0.197 0.000 1.008 375 I CB 2.226 40.371 38.000 0.241 0.000 1.232 375 I HN 0.471 nan 8.210 nan 0.000 0.435 376 S N 2.162 117.916 115.700 0.091 0.000 2.523 376 S HA 0.339 4.813 4.470 0.008 0.000 0.275 376 S C -0.092 174.528 174.600 0.033 0.000 1.281 376 S CA -0.749 57.445 58.200 -0.009 0.000 1.050 376 S CB 0.443 63.570 63.200 -0.122 0.000 0.937 376 S HN 0.805 nan 8.310 nan 0.000 0.492 377 N N 1.608 120.205 118.700 -0.172 0.000 2.328 377 N HA 0.064 4.809 4.740 0.008 0.000 0.277 377 N C 1.124 176.534 175.510 -0.167 0.000 1.286 377 N CA -0.377 52.439 53.050 -0.390 0.000 0.949 377 N CB 0.008 37.933 38.487 -0.936 0.000 1.136 377 N HN 0.707 nan 8.380 nan 0.000 0.550 378 E N -0.586 119.517 120.200 -0.162 0.000 2.268 378 E HA -0.250 4.105 4.350 0.008 0.000 0.195 378 E C 0.520 177.069 176.600 -0.086 0.000 0.995 378 E CA 1.380 57.732 56.400 -0.081 0.000 0.836 378 E CB -0.638 29.027 29.700 -0.058 0.000 0.763 378 E HN 0.932 nan 8.360 nan 0.000 0.491 379 E N -0.127 120.014 120.200 -0.098 0.000 2.474 379 E HA 0.258 4.613 4.350 0.008 0.000 0.195 379 E C 0.880 177.417 176.600 -0.103 0.000 1.039 379 E CA 0.327 56.699 56.400 -0.046 0.000 0.881 379 E CB 0.128 29.843 29.700 0.025 0.000 0.970 379 E HN 0.233 nan 8.360 nan 0.000 0.486 380 G N 0.638 109.337 108.800 -0.168 0.000 2.157 380 G HA2 -0.292 3.673 3.960 0.008 0.000 0.248 380 G HA3 -0.292 3.673 3.960 0.008 0.000 0.248 380 G C -0.408 174.228 174.900 -0.440 0.000 0.979 380 G CA 0.120 45.035 45.100 -0.309 0.000 0.650 380 G HN 0.321 nan 8.290 nan 0.000 0.529 381 Y N 0.547 120.716 120.300 -0.218 0.000 2.323 381 Y HA 0.604 5.159 4.550 0.008 0.000 0.331 381 Y C 1.280 177.014 175.900 -0.276 0.000 1.092 381 Y CA -0.771 57.184 58.100 -0.243 0.000 1.150 381 Y CB 0.917 39.253 38.460 -0.208 0.000 1.200 381 Y HN 0.055 nan 8.280 nan 0.000 0.472 382 R N 3.906 124.275 120.500 -0.219 0.000 2.248 382 R HA 0.233 4.578 4.340 0.008 0.000 0.328 382 R C -0.745 175.284 176.300 -0.451 0.000 1.067 382 R CA -0.053 55.914 56.100 -0.221 0.000 0.924 382 R CB 0.063 30.278 30.300 -0.142 0.000 1.013 382 R HN 0.663 nan 8.270 nan 0.000 0.454 383 H N 1.756 120.786 119.070 -0.067 0.000 2.907 383 H HA 0.360 4.921 4.556 0.008 0.000 0.361 383 H C -0.081 175.314 175.328 0.111 0.000 1.194 383 H CA -0.952 55.035 56.048 -0.102 0.000 1.152 383 H CB 1.693 31.269 29.762 -0.310 0.000 1.867 383 H HN 0.313 nan 8.280 nan 0.000 0.561 384 I N 1.270 121.936 120.570 0.161 0.000 2.416 384 I HA 0.070 4.245 4.170 0.008 0.000 0.288 384 I C 0.308 176.492 176.117 0.111 0.000 1.051 384 I CA 0.040 61.403 61.300 0.104 0.000 1.375 384 I CB 0.452 38.425 38.000 -0.044 0.000 1.407 384 I HN 0.130 nan 8.210 nan 0.000 0.516 385 c N 6.727 125.326 118.600 -0.003 0.000 2.411 385 c HA 0.401 4.976 4.570 0.008 0.000 0.330 385 c C -0.413 173.539 174.090 -0.231 0.000 1.224 385 c CA -0.617 55.467 56.329 -0.408 0.000 1.770 385 c CB 0.975 42.947 42.510 -0.896 0.000 2.297 385 c HN 0.717 nan 8.230 nan 0.000 0.507 386 Y N 4.357 124.312 120.300 -0.575 0.000 2.353 386 Y HA 0.619 5.174 4.550 0.008 0.000 0.340 386 Y C -0.965 174.467 175.900 -0.779 0.000 0.972 386 Y CA -0.521 57.210 58.100 -0.614 0.000 1.157 386 Y CB 0.354 38.545 38.460 -0.449 0.000 1.157 386 Y HN 0.660 nan 8.280 nan 0.000 0.495 387 F N 4.059 123.240 119.950 -1.282 0.000 2.458 387 F HA 0.399 4.931 4.527 0.008 0.000 0.330 387 F C -0.170 174.878 175.800 -1.253 0.000 1.082 387 F CA -0.852 56.376 58.000 -1.287 0.000 0.995 387 F CB 1.493 39.355 39.000 -1.896 0.000 1.170 387 F HN 0.344 nan 8.300 nan 0.000 0.478 388 Q N 2.998 122.461 119.800 -0.561 0.000 2.257 388 Q HA 0.240 4.584 4.340 0.008 0.000 0.255 388 Q C 1.065 177.048 176.000 -0.029 0.000 0.920 388 Q CA -0.487 55.128 55.803 -0.314 0.000 0.927 388 Q CB 2.024 30.638 28.738 -0.206 0.000 1.229 388 Q HN 0.640 nan 8.270 nan 0.000 0.433 389 I N 1.718 122.334 120.570 0.077 0.000 2.229 389 I HA -0.312 3.862 4.170 0.008 0.000 0.250 389 I C 1.124 177.433 176.117 0.320 0.000 1.096 389 I CA 1.760 63.226 61.300 0.277 0.000 1.358 389 I CB -0.306 37.845 38.000 0.252 0.000 1.047 389 I HN 0.594 nan 8.210 nan 0.000 0.422 390 D N -0.211 120.287 120.400 0.165 0.000 2.366 390 D HA 0.055 4.699 4.640 0.008 0.000 0.205 390 D C 0.736 177.061 176.300 0.043 0.000 1.022 390 D CA 0.331 54.387 54.000 0.093 0.000 0.868 390 D CB 0.565 41.393 40.800 0.048 0.000 0.953 390 D HN 0.319 nan 8.370 nan 0.000 0.514 391 K N 0.716 121.150 120.400 0.057 0.000 2.138 391 K HA 0.238 4.563 4.320 0.008 0.000 0.263 391 K C 0.796 177.407 176.600 0.018 0.000 0.965 391 K CA -0.489 55.796 56.287 -0.004 0.000 0.868 391 K CB 2.401 34.867 32.500 -0.056 0.000 1.083 391 K HN -0.322 nan 8.250 nan 0.000 0.443 392 K N 1.028 121.400 120.400 -0.046 0.000 2.031 392 K HA -0.031 4.294 4.320 0.008 0.000 0.205 392 K C -0.157 176.434 176.600 -0.015 0.000 1.049 392 K CA 1.326 57.588 56.287 -0.042 0.000 0.939 392 K CB 0.177 32.640 32.500 -0.061 0.000 0.717 392 K HN 0.562 nan 8.250 nan 0.000 0.438 393 D N 0.355 120.699 120.400 -0.094 0.000 2.350 393 D HA 0.058 4.703 4.640 0.008 0.000 0.249 393 D C -0.073 176.005 176.300 -0.370 0.000 1.119 393 D CA -0.128 53.761 54.000 -0.186 0.000 0.886 393 D CB 0.833 41.545 40.800 -0.145 0.000 1.195 393 D HN 0.329 nan 8.370 nan 0.000 0.437 394 c N 0.234 118.446 118.600 -0.645 0.000 2.470 394 c HA 0.845 5.420 4.570 0.008 0.000 0.341 394 c C 0.472 174.164 174.090 -0.664 0.000 1.190 394 c CA -0.886 54.857 56.329 -0.976 0.000 1.904 394 c CB 1.015 42.301 42.510 -2.040 0.000 2.354 394 c HN 0.643 nan 8.230 nan 0.000 0.509 395 T N -0.501 113.747 114.554 -0.510 0.000 2.794 395 T HA 0.595 4.950 4.350 0.008 0.000 0.280 395 T C -0.770 173.723 174.700 -0.345 0.000 0.987 395 T CA -0.247 61.682 62.100 -0.286 0.000 0.993 395 T CB 0.378 69.215 68.868 -0.051 0.000 0.939 395 T HN 0.514 nan 8.240 nan 0.000 0.449 396 F N 3.317 123.153 119.950 -0.190 0.000 2.495 396 F HA 0.314 4.846 4.527 0.008 0.000 0.365 396 F C 1.569 177.203 175.800 -0.277 0.000 1.090 396 F CA -0.992 56.880 58.000 -0.213 0.000 1.235 396 F CB 0.700 39.578 39.000 -0.203 0.000 1.119 396 F HN 0.690 nan 8.300 nan 0.000 0.562 397 I N -0.885 119.574 120.570 -0.185 0.000 4.070 397 I HA 0.217 4.392 4.170 0.008 0.000 0.328 397 I C 0.208 176.171 176.117 -0.256 0.000 1.298 397 I CA 0.097 61.093 61.300 -0.506 0.000 1.173 397 I CB 0.158 37.590 38.000 -0.946 0.000 1.051 397 I HN 0.467 nan 8.210 nan 0.000 0.409 398 T N -0.571 113.880 114.554 -0.171 0.000 2.908 398 T HA 0.636 4.991 4.350 0.008 0.000 0.290 398 T C -0.487 173.839 174.700 -0.624 0.000 1.034 398 T CA -0.739 61.225 62.100 -0.226 0.000 1.010 398 T CB 2.791 71.589 68.868 -0.115 0.000 1.068 398 T HN 0.002 nan 8.240 nan 0.000 0.481 399 K N 0.052 119.936 120.400 -0.860 0.000 2.536 399 K HA 0.827 5.152 4.320 0.008 0.000 0.269 399 K C -0.108 175.805 176.600 -1.146 0.000 0.965 399 K CA -0.167 55.438 56.287 -1.137 0.000 0.860 399 K CB 2.074 34.261 32.500 -0.521 0.000 1.423 399 K HN 1.355 nan 8.250 nan 0.000 0.438 400 G N -0.400 107.772 108.800 -1.046 0.000 2.359 400 G HA2 -0.074 3.891 3.960 0.008 0.000 0.303 400 G HA3 -0.074 3.891 3.960 0.008 0.000 0.303 400 G C -0.860 173.497 174.900 -0.906 0.000 1.293 400 G CA -0.211 44.439 45.100 -0.750 0.000 0.964 400 G HN 0.480 nan 8.290 nan 0.000 0.531 401 T N -0.753 113.376 114.554 -0.709 0.000 3.540 401 T HA 0.589 4.944 4.350 0.008 0.000 0.269 401 T C 0.134 174.553 174.700 -0.469 0.000 1.481 401 T CA 0.440 61.902 62.100 -1.063 0.000 1.224 401 T CB -0.879 67.654 68.868 -0.559 0.000 1.192 401 T HN 1.490 nan 8.240 nan 0.000 0.756 402 W N -0.392 120.679 121.300 -0.381 0.000 2.937 402 W HA 0.646 5.311 4.660 0.008 0.000 0.360 402 W C -1.595 174.870 176.519 -0.091 0.000 1.215 402 W CA -0.978 56.306 57.345 -0.101 0.000 1.183 402 W CB 0.689 30.102 29.460 -0.078 0.000 1.458 402 W HN 0.127 nan 8.180 nan 0.000 0.574 403 E N 0.969 121.342 120.200 0.289 0.000 2.266 403 E HA 0.417 4.772 4.350 0.008 0.000 0.268 403 E C -1.029 175.682 176.600 0.185 0.000 0.879 403 E CA -1.146 55.237 56.400 -0.029 0.000 0.762 403 E CB 3.450 33.173 29.700 0.039 0.000 1.199 403 E HN 0.164 nan 8.360 nan 0.000 0.422 404 V N 4.348 124.235 119.914 -0.046 0.000 2.508 404 V HA -0.020 4.105 4.120 0.008 0.000 0.281 404 V C 1.269 177.444 176.094 0.135 0.000 1.041 404 V CA 0.140 62.508 62.300 0.113 0.000 1.016 404 V CB 0.458 32.239 31.823 -0.069 0.000 0.984 404 V HN 0.704 nan 8.190 nan 0.000 0.478 405 I N 3.269 123.955 120.570 0.194 0.000 2.400 405 I HA 0.245 4.419 4.170 0.008 0.000 0.248 405 I C 1.115 177.346 176.117 0.189 0.000 1.109 405 I CA 1.167 62.579 61.300 0.186 0.000 1.425 405 I CB -0.692 37.367 38.000 0.099 0.000 1.094 405 I HN 0.744 nan 8.210 nan 0.000 0.425 406 G N 0.876 109.790 108.800 0.190 0.000 2.702 406 G HA2 0.538 4.503 3.960 0.008 0.000 0.296 406 G HA3 0.538 4.503 3.960 0.008 0.000 0.296 406 G C -1.184 173.814 174.900 0.164 0.000 1.463 406 G CA -0.539 44.669 45.100 0.180 0.000 0.890 406 G HN -0.035 nan 8.290 nan 0.000 0.534 407 I N 1.735 122.338 120.570 0.055 0.000 2.371 407 I HA 0.245 4.420 4.170 0.008 0.000 0.290 407 I C 0.759 176.832 176.117 -0.073 0.000 1.028 407 I CA -0.472 60.755 61.300 -0.122 0.000 1.345 407 I CB 1.622 39.291 38.000 -0.552 0.000 1.407 407 I HN 0.486 nan 8.210 nan 0.000 0.501 408 E N 4.765 124.992 120.200 0.045 0.000 2.244 408 E HA 0.344 4.698 4.350 0.008 0.000 0.196 408 E C 0.120 176.752 176.600 0.054 0.000 0.939 408 E CA 0.265 56.762 56.400 0.162 0.000 0.884 408 E CB 0.770 30.662 29.700 0.320 0.000 0.850 408 E HN 0.681 nan 8.360 nan 0.000 0.481 409 A N 0.642 123.384 122.820 -0.131 0.000 2.589 409 A HA 0.597 4.921 4.320 0.008 0.000 0.296 409 A C -1.917 175.616 177.584 -0.085 0.000 1.062 409 A CA -0.622 51.267 52.037 -0.247 0.000 0.686 409 A CB 1.271 19.681 19.000 -0.983 0.000 1.282 409 A HN 0.048 nan 8.150 nan 0.000 0.404 410 L N 1.690 122.909 121.223 -0.007 0.000 2.381 410 L HA 0.830 5.174 4.340 0.008 0.000 0.274 410 L C 0.326 177.227 176.870 0.051 0.000 0.988 410 L CA 0.467 55.319 54.840 0.020 0.000 0.824 410 L CB 2.035 44.154 42.059 0.100 0.000 1.263 410 L HN 1.146 nan 8.230 nan 0.000 0.410 411 T N -0.333 114.247 114.554 0.044 0.000 2.807 411 T HA 0.329 4.684 4.350 0.008 0.000 0.277 411 T C 0.856 175.581 174.700 0.040 0.000 1.006 411 T CA 0.158 62.298 62.100 0.067 0.000 1.006 411 T CB 1.198 70.138 68.868 0.121 0.000 1.274 411 T HN 0.412 nan 8.240 nan 0.000 0.569 412 S N -0.306 115.416 115.700 0.036 0.000 2.382 412 S HA -0.095 4.380 4.470 0.008 0.000 0.228 412 S C 0.988 175.541 174.600 -0.078 0.000 1.027 412 S CA 1.712 59.916 58.200 0.007 0.000 0.991 412 S CB -0.840 62.368 63.200 0.014 0.000 0.823 412 S HN 0.712 nan 8.310 nan 0.000 0.469 413 D N -1.449 118.856 120.400 -0.158 0.000 2.454 413 D HA 0.221 4.866 4.640 0.008 0.000 0.214 413 D C -0.661 175.167 176.300 -0.786 0.000 1.088 413 D CA 0.305 54.027 54.000 -0.463 0.000 0.855 413 D CB 0.413 40.878 40.800 -0.558 0.000 1.025 413 D HN 0.423 nan 8.370 nan 0.000 0.502 414 Y N 0.404 120.602 120.300 -0.171 0.000 2.492 414 Y HA 0.363 4.918 4.550 0.008 0.000 0.346 414 Y C -0.552 175.094 175.900 -0.422 0.000 0.997 414 Y CA -1.220 56.670 58.100 -0.350 0.000 1.025 414 Y CB 2.368 40.486 38.460 -0.570 0.000 1.263 414 Y HN -0.242 nan 8.280 nan 0.000 0.454 415 L N 4.038 125.086 121.223 -0.292 0.000 2.295 415 L HA 0.514 4.859 4.340 0.008 0.000 0.285 415 L C -1.707 174.974 176.870 -0.316 0.000 1.035 415 L CA -0.975 53.674 54.840 -0.318 0.000 0.806 415 L CB 0.256 42.060 42.059 -0.426 0.000 1.214 415 L HN 0.638 nan 8.230 nan 0.000 0.426 416 Y N 5.857 126.091 120.300 -0.111 0.000 2.360 416 Y HA 0.539 5.093 4.550 0.008 0.000 0.337 416 Y C -0.187 175.737 175.900 0.039 0.000 1.039 416 Y CA -0.311 57.737 58.100 -0.087 0.000 1.109 416 Y CB 1.423 39.761 38.460 -0.203 0.000 1.201 416 Y HN 0.588 nan 8.280 nan 0.000 0.458 417 Y N 0.172 120.556 120.300 0.139 0.000 2.615 417 Y HA 0.824 5.378 4.550 0.008 0.000 0.341 417 Y C -1.716 174.281 175.900 0.162 0.000 1.089 417 Y CA -1.943 56.224 58.100 0.111 0.000 1.049 417 Y CB 1.192 39.690 38.460 0.063 0.000 1.296 417 Y HN 0.435 nan 8.280 nan 0.000 0.470 418 I N 2.897 123.643 120.570 0.293 0.000 2.441 418 I HA 0.648 4.823 4.170 0.008 0.000 0.295 418 I C -0.447 175.863 176.117 0.322 0.000 0.994 418 I CA -0.470 60.947 61.300 0.194 0.000 1.144 418 I CB 2.029 40.091 38.000 0.102 0.000 1.314 418 I HN 0.891 nan 8.210 nan 0.000 0.445 419 S N 3.131 118.988 115.700 0.261 0.000 2.625 419 S HA 0.388 4.863 4.470 0.008 0.000 0.271 419 S C -0.790 173.865 174.600 0.091 0.000 1.161 419 S CA -0.942 57.395 58.200 0.229 0.000 0.820 419 S CB 1.646 65.020 63.200 0.289 0.000 1.137 419 S HN 0.634 nan 8.310 nan 0.000 0.470 420 N N -0.103 118.641 118.700 0.073 0.000 2.558 420 N HA 0.185 4.930 4.740 0.008 0.000 0.281 420 N C 0.348 175.824 175.510 -0.057 0.000 1.219 420 N CA -0.460 52.588 53.050 -0.004 0.000 0.942 420 N CB 0.468 38.939 38.487 -0.027 0.000 1.241 420 N HN 0.805 nan 8.380 nan 0.000 0.511 421 E N -0.154 119.880 120.200 -0.276 0.000 2.122 421 E HA -0.105 4.249 4.350 0.008 0.000 0.190 421 E C -0.442 176.006 176.600 -0.253 0.000 0.977 421 E CA -0.070 55.925 56.400 -0.675 0.000 0.820 421 E CB 0.012 28.718 29.700 -1.657 0.000 0.770 421 E HN 0.539 nan 8.360 nan 0.000 0.462 422 Y N 2.448 122.657 120.300 -0.152 0.000 2.745 422 Y HA -0.133 4.422 4.550 0.008 0.000 0.335 422 Y C 0.119 175.972 175.900 -0.078 0.000 1.212 422 Y CA 0.580 58.633 58.100 -0.079 0.000 1.535 422 Y CB 0.132 38.565 38.460 -0.044 0.000 1.220 422 Y HN 0.027 nan 8.280 nan 0.000 0.531 423 K N 3.769 123.883 120.400 -0.477 0.000 3.088 423 K HA -0.241 4.083 4.320 0.008 0.000 0.273 423 K C 0.784 177.293 176.600 -0.153 0.000 1.111 423 K CA 0.727 56.788 56.287 -0.375 0.000 0.803 423 K CB -2.036 30.175 32.500 -0.482 0.000 1.226 423 K HN 1.239 nan 8.250 nan 0.000 0.485 424 G N 0.672 109.402 108.800 -0.118 0.000 2.258 424 G HA2 -0.334 3.631 3.960 0.008 0.000 0.274 424 G HA3 -0.334 3.631 3.960 0.008 0.000 0.274 424 G C 0.096 174.949 174.900 -0.077 0.000 1.021 424 G CA 0.941 46.015 45.100 -0.042 0.000 0.798 424 G HN 0.384 nan 8.290 nan 0.000 0.507 425 M N -0.007 119.477 119.600 -0.194 0.000 2.055 425 M HA 0.251 4.735 4.480 0.008 0.000 0.347 425 M C -1.416 174.624 176.300 -0.434 0.000 1.123 425 M CA -1.998 53.019 55.300 -0.472 0.000 1.035 425 M CB 1.707 34.107 32.600 -0.334 0.000 1.484 425 M HN -0.153 nan 8.290 nan 0.000 0.428 426 P HA -0.056 nan 4.420 nan 0.000 0.225 426 P C 1.084 178.238 177.300 -0.243 0.000 1.148 426 P CA 0.911 63.830 63.100 -0.302 0.000 0.779 426 P CB 0.241 31.765 31.700 -0.292 0.000 0.780 427 G N -1.145 107.458 108.800 -0.328 0.000 3.434 427 G HA2 0.344 4.309 3.960 0.008 0.000 0.258 427 G HA3 0.344 4.309 3.960 0.008 0.000 0.258 427 G C 0.530 175.429 174.900 -0.000 0.000 1.128 427 G CA -0.028 45.001 45.100 -0.120 0.000 0.792 427 G HN 0.352 nan 8.290 nan 0.000 0.539 428 G N -0.070 108.671 108.800 -0.098 0.000 2.471 428 G HA2 0.648 4.613 3.960 0.008 0.000 0.332 428 G HA3 0.648 4.613 3.960 0.008 0.000 0.332 428 G C -0.874 173.889 174.900 -0.228 0.000 1.176 428 G CA -0.760 44.308 45.100 -0.054 0.000 0.949 428 G HN 0.074 nan 8.290 nan 0.000 0.488 429 R N 0.612 120.936 120.500 -0.294 0.000 2.515 429 R HA 0.331 4.676 4.340 0.008 0.000 0.291 429 R C -1.315 174.937 176.300 -0.079 0.000 1.046 429 R CA -0.734 55.167 56.100 -0.332 0.000 0.914 429 R CB 1.809 31.644 30.300 -0.775 0.000 1.191 429 R HN 0.684 nan 8.270 nan 0.000 0.435 430 N N 0.917 119.598 118.700 -0.031 0.000 2.229 430 N HA 0.410 5.155 4.740 0.008 0.000 0.298 430 N C -1.313 174.072 175.510 -0.208 0.000 1.114 430 N CA -0.805 52.155 53.050 -0.150 0.000 0.776 430 N CB 2.161 40.454 38.487 -0.324 0.000 1.501 430 N HN 0.237 nan 8.380 nan 0.000 0.474 431 L N 2.624 123.591 121.223 -0.426 0.000 2.290 431 L HA 0.453 4.798 4.340 0.008 0.000 0.284 431 L C -1.561 174.957 176.870 -0.586 0.000 1.078 431 L CA 0.028 54.641 54.840 -0.379 0.000 0.815 431 L CB -0.259 41.563 42.059 -0.394 0.000 1.162 431 L HN 0.508 nan 8.230 nan 0.000 0.435 432 Y N 3.999 123.964 120.300 -0.558 0.000 2.509 432 Y HA 0.520 5.074 4.550 0.008 0.000 0.341 432 Y C -0.135 175.478 175.900 -0.480 0.000 1.038 432 Y CA -0.811 56.917 58.100 -0.620 0.000 1.089 432 Y CB 1.663 39.536 38.460 -0.977 0.000 1.241 432 Y HN 0.435 nan 8.280 nan 0.000 0.468 433 K N 3.557 123.859 120.400 -0.163 0.000 2.292 433 K HA 0.560 4.884 4.320 0.008 0.000 0.257 433 K C -1.808 174.752 176.600 -0.067 0.000 0.940 433 K CA -0.612 55.528 56.287 -0.246 0.000 0.811 433 K CB 1.539 33.856 32.500 -0.305 0.000 1.120 433 K HN 0.852 nan 8.250 nan 0.000 0.428 434 I N 3.810 124.372 120.570 -0.013 0.000 2.410 434 I HA 0.165 4.340 4.170 0.008 0.000 0.286 434 I C -0.481 175.716 176.117 0.134 0.000 1.009 434 I CA -0.582 60.794 61.300 0.127 0.000 1.111 434 I CB 1.628 39.749 38.000 0.201 0.000 1.262 434 I HN 0.707 nan 8.210 nan 0.000 0.443 435 Q N 5.850 125.752 119.800 0.171 0.000 2.262 435 Q HA 0.067 4.411 4.340 0.008 0.000 0.272 435 Q C 0.110 176.073 176.000 -0.062 0.000 1.076 435 Q CA -0.408 55.394 55.803 -0.001 0.000 0.905 435 Q CB 1.152 29.914 28.738 0.040 0.000 1.182 435 Q HN 0.795 nan 8.270 nan 0.000 0.390 436 L N 3.397 124.510 121.223 -0.183 0.000 2.265 436 L HA -0.158 4.187 4.340 0.008 0.000 0.215 436 L C 2.206 178.961 176.870 -0.192 0.000 1.117 436 L CA 1.802 56.588 54.840 -0.091 0.000 0.782 436 L CB -0.724 41.257 42.059 -0.131 0.000 0.914 436 L HN 0.758 nan 8.230 nan 0.000 0.441 437 S N -2.799 112.761 115.700 -0.233 0.000 2.528 437 S HA 0.049 4.524 4.470 0.008 0.000 0.219 437 S C 0.572 174.998 174.600 -0.289 0.000 0.985 437 S CA 0.014 58.065 58.200 -0.247 0.000 0.914 437 S CB 0.145 63.234 63.200 -0.185 0.000 0.776 437 S HN 0.381 nan 8.310 nan 0.000 0.526 438 D N -0.258 119.986 120.400 -0.259 0.000 2.365 438 D HA 0.223 4.867 4.640 0.008 0.000 0.235 438 D C -0.438 175.819 176.300 -0.071 0.000 1.368 438 D CA -0.573 53.299 54.000 -0.214 0.000 1.001 438 D CB 0.392 41.129 40.800 -0.105 0.000 1.364 438 D HN -0.054 nan 8.370 nan 0.000 0.577 439 Y N 1.406 121.689 120.300 -0.029 0.000 2.403 439 Y HA -0.097 4.458 4.550 0.008 0.000 0.291 439 Y C 2.406 178.316 175.900 0.017 0.000 1.143 439 Y CA 0.998 59.092 58.100 -0.010 0.000 1.257 439 Y CB -0.750 37.702 38.460 -0.014 0.000 0.984 439 Y HN 0.341 nan 8.280 nan 0.000 0.550 440 T N -0.687 113.951 114.554 0.141 0.000 2.867 440 T HA -0.142 4.212 4.350 0.008 0.000 0.268 440 T C 1.087 175.842 174.700 0.092 0.000 1.057 440 T CA 0.755 62.914 62.100 0.099 0.000 1.136 440 T CB -0.172 68.729 68.868 0.055 0.000 0.874 440 T HN -0.015 nan 8.240 nan 0.000 0.466 441 K N 2.594 123.044 120.400 0.082 0.000 2.110 441 K HA 0.253 4.577 4.320 0.008 0.000 0.260 441 K C -1.404 175.262 176.600 0.110 0.000 1.126 441 K CA -0.053 56.282 56.287 0.080 0.000 1.005 441 K CB -0.233 32.307 32.500 0.066 0.000 1.336 441 K HN -0.014 nan 8.250 nan 0.000 0.369 442 V N 3.531 123.511 119.914 0.111 0.000 2.448 442 V HA 0.324 4.449 4.120 0.008 0.000 0.295 442 V C -0.378 175.777 176.094 0.102 0.000 1.025 442 V CA -0.771 61.610 62.300 0.135 0.000 0.859 442 V CB 2.001 33.932 31.823 0.180 0.000 0.988 442 V HN 0.627 nan 8.190 nan 0.000 0.431 443 T N 3.434 118.022 114.554 0.055 0.000 2.792 443 T HA 0.239 4.594 4.350 0.008 0.000 0.280 443 T C -0.347 174.281 174.700 -0.121 0.000 0.990 443 T CA -0.290 61.793 62.100 -0.028 0.000 0.960 443 T CB 1.236 70.057 68.868 -0.079 0.000 0.939 443 T HN 0.714 nan 8.240 nan 0.000 0.439 444 C N 5.127 124.286 119.300 -0.235 0.000 2.464 444 C HA 0.371 4.836 4.460 0.008 0.000 0.370 444 C C 1.710 176.398 174.990 -0.503 0.000 1.267 444 C CA -0.537 58.094 59.018 -0.644 0.000 1.781 444 C CB -1.874 25.408 27.740 -0.764 0.000 2.431 444 C HN 0.976 nan 8.230 nan 0.000 0.556 445 L N 4.503 125.403 121.223 -0.538 0.000 2.509 445 L HA 0.064 4.408 4.340 0.008 0.000 0.222 445 L C 2.127 178.691 176.870 -0.510 0.000 1.123 445 L CA 0.980 55.573 54.840 -0.412 0.000 0.856 445 L CB -0.178 41.672 42.059 -0.347 0.000 0.985 445 L HN 0.889 nan 8.230 nan 0.000 0.456 446 S N -3.415 111.870 115.700 -0.691 0.000 2.631 446 S HA -0.025 4.450 4.470 0.008 0.000 0.246 446 S C 1.833 176.030 174.600 -0.672 0.000 1.068 446 S CA -0.080 57.586 58.200 -0.891 0.000 0.995 446 S CB -0.298 61.984 63.200 -1.530 0.000 0.944 446 S HN 0.277 nan 8.310 nan 0.000 0.529 447 C N 1.964 120.856 119.300 -0.681 0.000 2.385 447 C HA -0.038 4.427 4.460 0.008 0.000 0.275 447 C C 2.505 177.159 174.990 -0.559 0.000 1.199 447 C CA 1.787 60.326 59.018 -0.797 0.000 1.782 447 C CB -1.028 26.096 27.740 -1.026 0.000 2.068 447 C HN 0.701 nan 8.230 nan 0.000 0.471 448 E N -0.570 119.412 120.200 -0.363 0.000 2.498 448 E HA 0.208 4.562 4.350 0.008 0.000 0.203 448 E C 1.829 178.363 176.600 -0.108 0.000 1.013 448 E CA -0.127 56.157 56.400 -0.193 0.000 0.927 448 E CB -0.082 29.530 29.700 -0.145 0.000 1.012 448 E HN 0.519 nan 8.360 nan 0.000 0.482 449 L N 0.362 121.516 121.223 -0.114 0.000 2.013 449 L HA -0.122 4.222 4.340 0.008 0.000 0.212 449 L C 0.928 177.802 176.870 0.006 0.000 1.073 449 L CA 1.024 55.840 54.840 -0.039 0.000 0.753 449 L CB -0.054 41.995 42.059 -0.018 0.000 0.890 449 L HN 0.118 nan 8.230 nan 0.000 0.432 450 N N -1.560 117.158 118.700 0.030 0.000 2.839 450 N HA 0.103 4.848 4.740 0.008 0.000 0.230 450 N C -2.182 173.341 175.510 0.022 0.000 1.388 450 N CA -0.825 52.237 53.050 0.019 0.000 0.747 450 N CB 1.059 39.553 38.487 0.013 0.000 1.411 450 N HN -0.180 nan 8.380 nan 0.000 0.556 451 P HA -0.099 nan 4.420 nan 0.000 0.220 451 P C 0.815 178.148 177.300 0.054 0.000 1.148 451 P CA 1.113 64.246 63.100 0.056 0.000 0.803 451 P CB 0.854 32.606 31.700 0.087 0.000 0.782 452 E N 0.289 120.505 120.200 0.027 0.000 2.017 452 E HA -0.184 4.171 4.350 0.008 0.000 0.193 452 E C 2.235 178.829 176.600 -0.010 0.000 0.997 452 E CA 1.304 57.711 56.400 0.011 0.000 0.804 452 E CB -0.286 29.413 29.700 -0.002 0.000 0.757 452 E HN 0.290 nan 8.360 nan 0.000 0.448 453 R N -0.407 120.073 120.500 -0.033 0.000 2.280 453 R HA 0.157 4.502 4.340 0.008 0.000 0.195 453 R C -0.107 176.132 176.300 -0.101 0.000 0.935 453 R CA 0.320 56.377 56.100 -0.071 0.000 1.033 453 R CB 0.265 30.511 30.300 -0.091 0.000 0.964 453 R HN -0.022 nan 8.270 nan 0.000 0.489 454 c N 1.234 119.778 118.600 -0.093 0.000 2.344 454 c HA 0.428 5.003 4.570 0.008 0.000 0.326 454 c C -0.313 173.707 174.090 -0.117 0.000 1.201 454 c CA -0.586 55.618 56.329 -0.208 0.000 1.410 454 c CB 1.312 43.648 42.510 -0.290 0.000 2.070 454 c HN 0.593 nan 8.230 nan 0.000 0.445 455 Q N 0.720 120.455 119.800 -0.108 0.000 2.064 455 Q HA 0.209 4.553 4.340 0.008 0.000 0.213 455 Q C -1.140 174.898 176.000 0.063 0.000 0.779 455 Q CA 0.020 55.844 55.803 0.034 0.000 1.032 455 Q CB 1.366 30.155 28.738 0.085 0.000 1.203 455 Q HN 0.791 nan 8.270 nan 0.000 0.457 456 Y N 0.249 120.413 120.300 -0.226 0.000 2.317 456 Y HA 0.366 4.920 4.550 0.008 0.000 0.329 456 Y C -1.818 173.924 175.900 -0.263 0.000 1.101 456 Y CA -0.914 57.092 58.100 -0.157 0.000 1.228 456 Y CB 0.849 39.230 38.460 -0.132 0.000 1.123 456 Y HN -0.054 nan 8.280 nan 0.000 0.457 457 Y N 2.516 122.755 120.300 -0.101 0.000 2.468 457 Y HA 0.665 5.219 4.550 0.008 0.000 0.342 457 Y C 0.218 176.068 175.900 -0.083 0.000 1.021 457 Y CA -0.596 57.455 58.100 -0.082 0.000 1.079 457 Y CB 2.318 40.691 38.460 -0.144 0.000 1.226 457 Y HN 0.524 nan 8.280 nan 0.000 0.460 458 S N 1.064 116.849 115.700 0.143 0.000 2.671 458 S HA 0.877 5.352 4.470 0.008 0.000 0.299 458 S C -1.524 173.126 174.600 0.084 0.000 1.116 458 S CA -0.763 57.499 58.200 0.103 0.000 0.912 458 S CB 1.909 65.183 63.200 0.123 0.000 1.130 458 S HN 0.596 nan 8.310 nan 0.000 0.501 459 V N 0.361 120.315 119.914 0.066 0.000 3.007 459 V HA 0.859 4.983 4.120 0.008 0.000 0.311 459 V C -1.196 174.938 176.094 0.066 0.000 1.120 459 V CA -0.257 62.036 62.300 -0.012 0.000 0.980 459 V CB 2.312 34.012 31.823 -0.204 0.000 1.033 459 V HN 1.190 nan 8.190 nan 0.000 0.429 460 S N 5.127 120.861 115.700 0.057 0.000 2.746 460 S HA 0.617 5.092 4.470 0.008 0.000 0.273 460 S C -1.094 173.670 174.600 0.272 0.000 1.172 460 S CA -0.419 57.931 58.200 0.250 0.000 1.116 460 S CB 0.267 63.666 63.200 0.331 0.000 1.057 460 S HN 0.503 nan 8.310 nan 0.000 0.483 461 F N 3.205 123.257 119.950 0.171 0.000 2.382 461 F HA 0.387 4.919 4.527 0.008 0.000 0.331 461 F C 1.546 177.042 175.800 -0.508 0.000 1.121 461 F CA -0.150 57.813 58.000 -0.062 0.000 1.183 461 F CB 1.077 39.999 39.000 -0.130 0.000 1.207 461 F HN 0.624 nan 8.300 nan 0.000 0.555 462 S N 1.722 116.890 115.700 -0.887 0.000 2.596 462 S HA 0.081 4.556 4.470 0.008 0.000 0.260 462 S C 1.352 175.694 174.600 -0.430 0.000 1.336 462 S CA -0.725 56.617 58.200 -1.430 0.000 0.993 462 S CB 0.718 63.112 63.200 -1.344 0.000 0.923 462 S HN 0.802 nan 8.310 nan 0.000 0.567 463 K N 0.402 120.666 120.400 -0.227 0.000 2.127 463 K HA -0.227 4.098 4.320 0.008 0.000 0.212 463 K C 0.824 177.412 176.600 -0.019 0.000 1.050 463 K CA 2.195 58.464 56.287 -0.031 0.000 0.929 463 K CB -0.188 32.324 32.500 0.019 0.000 0.715 463 K HN 0.735 nan 8.250 nan 0.000 0.457 464 E N -1.723 118.448 120.200 -0.048 0.000 2.651 464 E HA 0.272 4.627 4.350 0.008 0.000 0.208 464 E C -0.410 176.165 176.600 -0.041 0.000 0.997 464 E CA 0.543 56.931 56.400 -0.019 0.000 1.020 464 E CB 1.098 30.802 29.700 0.006 0.000 1.052 464 E HN 0.378 nan 8.360 nan 0.000 0.465 465 A N 0.612 123.393 122.820 -0.066 0.000 2.847 465 A HA -0.321 4.004 4.320 0.008 0.000 0.263 465 A C 1.662 179.245 177.584 -0.001 0.000 1.391 465 A CA 1.391 53.414 52.037 -0.025 0.000 0.866 465 A CB -1.509 17.356 19.000 -0.224 0.000 1.057 465 A HN 0.189 nan 8.150 nan 0.000 0.673 466 K N -1.522 118.803 120.400 -0.126 0.000 2.217 466 K HA 0.040 4.365 4.320 0.008 0.000 0.202 466 K C 0.111 176.393 176.600 -0.530 0.000 1.051 466 K CA 1.489 57.584 56.287 -0.319 0.000 0.952 466 K CB -0.039 32.214 32.500 -0.412 0.000 0.736 466 K HN 0.734 nan 8.250 nan 0.000 0.453 467 Y N -0.938 119.343 120.300 -0.032 0.000 2.605 467 Y HA 0.307 4.862 4.550 0.008 0.000 0.343 467 Y C -0.575 175.342 175.900 0.028 0.000 1.036 467 Y CA -1.556 56.536 58.100 -0.013 0.000 1.065 467 Y CB 1.550 40.008 38.460 -0.003 0.000 1.288 467 Y HN -0.060 nan 8.280 nan 0.000 0.481 468 Y N -1.075 119.277 120.300 0.087 0.000 2.513 468 Y HA 0.469 5.024 4.550 0.008 0.000 0.340 468 Y C -1.195 174.758 175.900 0.089 0.000 1.055 468 Y CA -1.559 56.452 58.100 -0.148 0.000 1.020 468 Y CB 1.386 39.291 38.460 -0.925 0.000 1.301 468 Y HN 0.596 nan 8.280 nan 0.000 0.453 469 Q N 4.209 124.147 119.800 0.229 0.000 2.303 469 Q HA 0.472 4.817 4.340 0.008 0.000 0.257 469 Q C -1.548 174.527 176.000 0.124 0.000 0.941 469 Q CA -0.591 55.283 55.803 0.118 0.000 0.931 469 Q CB 1.090 29.860 28.738 0.054 0.000 1.215 469 Q HN 0.975 nan 8.270 nan 0.000 0.437 470 L N 4.364 125.676 121.223 0.150 0.000 2.305 470 L HA 0.433 4.777 4.340 0.008 0.000 0.281 470 L C 0.172 177.087 176.870 0.075 0.000 1.085 470 L CA -0.287 54.637 54.840 0.139 0.000 0.813 470 L CB 1.098 43.248 42.059 0.151 0.000 1.157 470 L HN 0.577 nan 8.230 nan 0.000 0.436 471 R N 3.447 123.969 120.500 0.037 0.000 2.272 471 R HA 0.273 4.617 4.340 0.008 0.000 0.323 471 R C -0.911 175.250 176.300 -0.231 0.000 1.002 471 R CA -0.473 55.483 56.100 -0.239 0.000 0.900 471 R CB 1.005 31.223 30.300 -0.136 0.000 1.151 471 R HN 0.708 nan 8.270 nan 0.000 0.507 472 c N 3.639 121.984 118.600 -0.424 0.000 2.303 472 c HA 0.394 4.969 4.570 0.008 0.000 0.341 472 c C 0.786 174.636 174.090 -0.399 0.000 1.244 472 c CA -0.360 55.614 56.329 -0.591 0.000 1.765 472 c CB 0.464 42.557 42.510 -0.694 0.000 2.379 472 c HN 0.920 nan 8.230 nan 0.000 0.530 473 S N 4.011 119.566 115.700 -0.242 0.000 2.554 473 S HA 0.251 4.726 4.470 0.008 0.000 0.226 473 S C 1.273 175.802 174.600 -0.118 0.000 0.980 473 S CA 0.209 58.327 58.200 -0.138 0.000 0.939 473 S CB 0.015 63.148 63.200 -0.111 0.000 0.832 473 S HN 1.182 nan 8.310 nan 0.000 0.486 474 G N 3.278 111.976 108.800 -0.170 0.000 2.711 474 G HA2 -0.023 3.942 3.960 0.008 0.000 0.367 474 G HA3 -0.023 3.942 3.960 0.008 0.000 0.367 474 G C -1.444 173.426 174.900 -0.050 0.000 1.276 474 G CA -0.380 44.647 45.100 -0.122 0.000 1.193 474 G HN 0.186 nan 8.290 nan 0.000 0.704 475 P HA 0.032 nan 4.420 nan 0.000 0.217 475 P C 1.307 178.601 177.300 -0.010 0.000 1.150 475 P CA 1.580 64.688 63.100 0.012 0.000 0.832 475 P CB -0.138 31.565 31.700 0.006 0.000 0.787 476 G N -0.441 108.290 108.800 -0.115 0.000 2.543 476 G HA2 0.368 4.332 3.960 0.008 0.000 0.290 476 G HA3 0.368 4.332 3.960 0.008 0.000 0.290 476 G C -0.639 174.012 174.900 -0.415 0.000 1.310 476 G CA -0.438 44.505 45.100 -0.262 0.000 1.025 476 G HN -0.060 nan 8.290 nan 0.000 0.502 477 L N 1.093 121.980 121.223 -0.560 0.000 2.543 477 L HA 0.148 4.492 4.340 0.008 0.000 0.285 477 L C -1.665 175.081 176.870 -0.206 0.000 1.236 477 L CA -1.045 53.502 54.840 -0.488 0.000 0.871 477 L CB -0.123 41.728 42.059 -0.347 0.000 1.121 477 L HN 0.233 nan 8.230 nan 0.000 0.501 478 P HA 0.168 nan 4.420 nan 0.000 0.266 478 P C -0.941 176.353 177.300 -0.010 0.000 1.195 478 P CA -0.193 62.881 63.100 -0.042 0.000 0.768 478 P CB 0.666 32.443 31.700 0.129 0.000 0.838 479 L N 4.775 125.913 121.223 -0.142 0.000 2.410 479 L HA 0.496 4.840 4.340 0.008 0.000 0.270 479 L C -1.750 175.028 176.870 -0.154 0.000 0.983 479 L CA -0.680 54.128 54.840 -0.054 0.000 0.822 479 L CB 1.094 43.107 42.059 -0.076 0.000 1.285 479 L HN 0.266 nan 8.230 nan 0.000 0.409 480 Y N 2.904 123.162 120.300 -0.069 0.000 2.328 480 Y HA 0.669 5.224 4.550 0.008 0.000 0.333 480 Y C 0.239 176.026 175.900 -0.189 0.000 0.958 480 Y CA -0.579 57.463 58.100 -0.098 0.000 1.167 480 Y CB 2.136 40.531 38.460 -0.108 0.000 1.151 480 Y HN 0.665 nan 8.280 nan 0.000 0.470 481 T N 1.815 116.353 114.554 -0.026 0.000 2.893 481 T HA 0.579 4.934 4.350 0.008 0.000 0.291 481 T C -1.355 173.216 174.700 -0.215 0.000 1.028 481 T CA -0.912 61.097 62.100 -0.152 0.000 0.995 481 T CB 1.801 70.616 68.868 -0.089 0.000 1.051 481 T HN 0.480 nan 8.240 nan 0.000 0.470 482 L N 2.698 123.683 121.223 -0.397 0.000 2.317 482 L HA 0.536 4.881 4.340 0.008 0.000 0.281 482 L C -0.702 175.807 176.870 -0.600 0.000 1.024 482 L CA -0.551 54.086 54.840 -0.339 0.000 0.810 482 L CB 1.165 43.080 42.059 -0.239 0.000 1.240 482 L HN 0.864 nan 8.230 nan 0.000 0.427 483 H N 1.956 120.797 119.070 -0.381 0.000 2.717 483 H HA 0.165 4.725 4.556 0.008 0.000 0.366 483 H C -0.800 174.354 175.328 -0.290 0.000 1.132 483 H CA -0.554 55.177 56.048 -0.528 0.000 1.180 483 H CB 2.459 31.479 29.762 -1.237 0.000 1.678 483 H HN 0.484 nan 8.280 nan 0.000 0.537 484 S N 1.090 116.802 115.700 0.019 0.000 2.452 484 S HA 0.062 4.536 4.470 0.008 0.000 0.284 484 S C 1.183 175.828 174.600 0.075 0.000 1.171 484 S CA -0.319 57.962 58.200 0.135 0.000 1.064 484 S CB 0.444 63.725 63.200 0.134 0.000 0.967 484 S HN 0.708 nan 8.310 nan 0.000 0.484 485 S N 4.215 119.975 115.700 0.099 0.000 2.527 485 S HA -0.035 4.439 4.470 0.008 0.000 0.222 485 S C 1.618 176.282 174.600 0.107 0.000 0.985 485 S CA 0.553 58.894 58.200 0.236 0.000 0.921 485 S CB -0.116 63.254 63.200 0.283 0.000 0.772 485 S HN 0.618 nan 8.310 nan 0.000 0.529 486 V N 3.365 123.296 119.914 0.028 0.000 2.453 486 V HA -0.103 4.022 4.120 0.008 0.000 0.247 486 V C 1.722 177.832 176.094 0.027 0.000 1.048 486 V CA 2.097 64.411 62.300 0.023 0.000 1.049 486 V CB -0.527 31.293 31.823 -0.006 0.000 0.672 486 V HN 0.862 nan 8.190 nan 0.000 0.457 487 N N -2.742 115.977 118.700 0.030 0.000 2.159 487 N HA 0.068 4.812 4.740 0.008 0.000 0.217 487 N C 0.333 175.860 175.510 0.029 0.000 1.223 487 N CA 0.626 53.690 53.050 0.023 0.000 0.896 487 N CB 0.311 38.810 38.487 0.019 0.000 1.064 487 N HN 0.388 nan 8.380 nan 0.000 0.518 488 D N 0.055 120.494 120.400 0.064 0.000 3.059 488 D HA -0.190 4.455 4.640 0.008 0.000 0.220 488 D C -0.269 176.077 176.300 0.078 0.000 1.169 488 D CA 1.120 55.178 54.000 0.097 0.000 0.902 488 D CB -1.265 39.567 40.800 0.053 0.000 1.116 488 D HN 0.784 nan 8.370 nan 0.000 0.417 489 K N 0.278 120.710 120.400 0.054 0.000 2.219 489 K HA 0.464 4.789 4.320 0.008 0.000 0.258 489 K C 0.699 177.323 176.600 0.039 0.000 1.008 489 K CA -0.042 56.268 56.287 0.038 0.000 0.928 489 K CB 0.898 33.402 32.500 0.007 0.000 0.983 489 K HN -0.030 nan 8.250 nan 0.000 0.484 490 G N 2.386 111.168 108.800 -0.030 0.000 2.327 490 G HA2 0.262 4.226 3.960 0.008 0.000 0.302 490 G HA3 0.262 4.226 3.960 0.008 0.000 0.302 490 G C 0.380 175.128 174.900 -0.252 0.000 1.113 490 G CA -0.838 44.087 45.100 -0.292 0.000 0.921 490 G HN 0.650 nan 8.290 nan 0.000 0.425 491 L N 1.641 122.686 121.223 -0.296 0.000 2.005 491 L HA 0.186 4.531 4.340 0.008 0.000 0.207 491 L C 1.743 178.502 176.870 -0.185 0.000 1.072 491 L CA 1.199 55.927 54.840 -0.187 0.000 0.744 491 L CB -0.121 41.843 42.059 -0.159 0.000 0.895 491 L HN 0.731 nan 8.230 nan 0.000 0.433 492 R N -1.947 118.403 120.500 -0.249 0.000 2.728 492 R HA 0.356 4.700 4.340 0.008 0.000 0.274 492 R C -1.623 174.528 176.300 -0.248 0.000 1.032 492 R CA -0.868 55.109 56.100 -0.205 0.000 0.866 492 R CB 1.270 31.480 30.300 -0.151 0.000 1.263 492 R HN -0.260 nan 8.270 nan 0.000 0.475 493 V N 3.623 123.421 119.914 -0.193 0.000 2.470 493 V HA 0.109 4.234 4.120 0.008 0.000 0.276 493 V C 1.431 177.369 176.094 -0.259 0.000 1.040 493 V CA -0.131 62.056 62.300 -0.189 0.000 1.008 493 V CB 0.911 32.663 31.823 -0.119 0.000 0.990 493 V HN 0.651 nan 8.190 nan 0.000 0.477 494 L N 2.718 123.713 121.223 -0.379 0.000 2.168 494 L HA 0.265 4.610 4.340 0.008 0.000 0.203 494 L C 0.801 177.373 176.870 -0.496 0.000 1.078 494 L CA 0.766 55.171 54.840 -0.725 0.000 0.780 494 L CB 0.165 41.404 42.059 -1.366 0.000 0.939 494 L HN 0.684 nan 8.230 nan 0.000 0.451 495 E N -0.276 119.790 120.200 -0.224 0.000 2.343 495 E HA 0.103 4.458 4.350 0.008 0.000 0.286 495 E C -1.151 175.482 176.600 0.055 0.000 0.915 495 E CA -0.346 56.032 56.400 -0.036 0.000 0.784 495 E CB 1.228 30.930 29.700 0.004 0.000 1.251 495 E HN 0.161 nan 8.360 nan 0.000 0.407 496 D N 2.795 123.212 120.400 0.029 0.000 2.441 496 D HA 0.137 4.781 4.640 0.008 0.000 0.210 496 D C -0.210 176.104 176.300 0.025 0.000 1.102 496 D CA -0.207 53.806 54.000 0.021 0.000 0.840 496 D CB 0.041 40.834 40.800 -0.012 0.000 0.990 496 D HN 0.435 nan 8.370 nan 0.000 0.505 497 N N 0.389 119.116 118.700 0.045 0.000 2.725 497 N HA -0.204 4.540 4.740 0.008 0.000 0.249 497 N C 0.952 176.476 175.510 0.022 0.000 1.103 497 N CA 0.922 53.999 53.050 0.045 0.000 0.707 497 N CB -1.393 37.124 38.487 0.050 0.000 1.043 497 N HN 0.478 nan 8.380 nan 0.000 0.553 498 S N -1.170 114.540 115.700 0.017 0.000 2.402 498 S HA -0.021 4.453 4.470 0.008 0.000 0.229 498 S C 2.128 176.745 174.600 0.029 0.000 1.021 498 S CA 0.966 59.174 58.200 0.012 0.000 0.974 498 S CB -0.147 63.057 63.200 0.007 0.000 0.800 498 S HN 0.513 nan 8.310 nan 0.000 0.484 499 A N 2.282 125.128 122.820 0.042 0.000 1.873 499 A HA -0.051 4.274 4.320 0.008 0.000 0.218 499 A C 2.269 179.902 177.584 0.082 0.000 1.193 499 A CA 1.833 53.905 52.037 0.058 0.000 0.629 499 A CB -1.107 17.929 19.000 0.060 0.000 0.826 499 A HN 0.526 nan 8.150 nan 0.000 0.447 500 L N 0.080 121.357 121.223 0.091 0.000 2.046 500 L HA -0.180 4.165 4.340 0.008 0.000 0.208 500 L C 2.060 178.982 176.870 0.087 0.000 1.077 500 L CA 2.731 57.648 54.840 0.127 0.000 0.747 500 L CB -0.573 41.563 42.059 0.129 0.000 0.896 500 L HN 0.584 nan 8.230 nan 0.000 0.432 501 D N -0.962 119.458 120.400 0.032 0.000 2.104 501 D HA -0.241 4.404 4.640 0.008 0.000 0.194 501 D C 2.116 178.425 176.300 0.016 0.000 0.994 501 D CA 1.559 55.556 54.000 -0.005 0.000 0.830 501 D CB 0.059 40.843 40.800 -0.026 0.000 0.959 501 D HN 0.267 nan 8.370 nan 0.000 0.452 502 K N -0.691 119.731 120.400 0.037 0.000 2.116 502 K HA -0.026 4.298 4.320 0.008 0.000 0.203 502 K C 2.259 178.904 176.600 0.075 0.000 1.052 502 K CA 0.676 56.990 56.287 0.045 0.000 0.952 502 K CB -0.068 32.456 32.500 0.041 0.000 0.729 502 K HN 0.280 nan 8.250 nan 0.000 0.446 503 M N 0.486 120.156 119.600 0.117 0.000 2.080 503 M HA -0.203 4.282 4.480 0.008 0.000 0.260 503 M C 1.726 178.124 176.300 0.162 0.000 1.068 503 M CA 1.443 56.863 55.300 0.199 0.000 1.109 503 M CB -0.258 32.536 32.600 0.324 0.000 1.342 503 M HN 0.019 nan 8.290 nan 0.000 0.405 504 L N 0.144 121.409 121.223 0.071 0.000 2.465 504 L HA -0.102 4.242 4.340 0.008 0.000 0.224 504 L C 2.399 179.260 176.870 -0.015 0.000 1.145 504 L CA 1.485 56.302 54.840 -0.038 0.000 0.834 504 L CB -1.044 40.987 42.059 -0.047 0.000 0.944 504 L HN 0.407 nan 8.230 nan 0.000 0.451 505 Q N -0.341 119.469 119.800 0.017 0.000 2.291 505 Q HA -0.200 4.145 4.340 0.008 0.000 0.206 505 Q C 1.482 177.500 176.000 0.030 0.000 0.976 505 Q CA 1.030 56.844 55.803 0.017 0.000 0.875 505 Q CB 0.035 28.787 28.738 0.024 0.000 0.927 505 Q HN 0.556 nan 8.270 nan 0.000 0.450 506 N N 0.026 118.754 118.700 0.048 0.000 2.235 506 N HA 0.042 4.786 4.740 0.008 0.000 0.209 506 N C -0.919 174.630 175.510 0.066 0.000 1.122 506 N CA -0.048 53.041 53.050 0.065 0.000 0.845 506 N CB 1.059 39.598 38.487 0.087 0.000 1.004 506 N HN 0.019 nan 8.380 nan 0.000 0.499 507 V N 0.959 120.892 119.914 0.031 0.000 2.588 507 V HA 0.301 4.426 4.120 0.008 0.000 0.304 507 V C -0.677 175.423 176.094 0.010 0.000 1.042 507 V CA -0.703 61.613 62.300 0.027 0.000 0.877 507 V CB 1.937 33.746 31.823 -0.025 0.000 0.996 507 V HN 0.022 nan 8.190 nan 0.000 0.425 508 Q N 6.375 126.198 119.800 0.038 0.000 2.320 508 Q HA 0.220 4.565 4.340 0.008 0.000 0.262 508 Q C -0.381 175.599 176.000 -0.033 0.000 1.225 508 Q CA 0.339 56.140 55.803 -0.003 0.000 0.916 508 Q CB 0.348 29.121 28.738 0.058 0.000 1.417 508 Q HN 0.613 nan 8.270 nan 0.000 0.462 509 M N 4.501 124.056 119.600 -0.076 0.000 2.318 509 M HA 0.427 4.912 4.480 0.008 0.000 0.347 509 M C -2.046 174.185 176.300 -0.116 0.000 1.175 509 M CA -2.496 52.752 55.300 -0.087 0.000 1.075 509 M CB 0.815 33.371 32.600 -0.074 0.000 1.614 509 M HN 0.341 nan 8.290 nan 0.000 0.456 510 P HA 0.254 nan 4.420 nan 0.000 0.274 510 P C -0.775 176.446 177.300 -0.131 0.000 1.256 510 P CA -0.290 62.721 63.100 -0.150 0.000 0.795 510 P CB 0.598 32.192 31.700 -0.176 0.000 1.038 511 S N -1.045 114.561 115.700 -0.158 0.000 2.689 511 S HA 0.584 5.059 4.470 0.008 0.000 0.306 511 S C -0.601 173.908 174.600 -0.151 0.000 1.104 511 S CA -0.855 57.268 58.200 -0.128 0.000 0.973 511 S CB 1.882 65.005 63.200 -0.129 0.000 1.121 511 S HN 0.478 nan 8.310 nan 0.000 0.523 512 K N 0.538 120.876 120.400 -0.104 0.000 2.323 512 K HA 0.409 4.734 4.320 0.008 0.000 0.259 512 K C -1.311 175.232 176.600 -0.095 0.000 0.947 512 K CA -0.516 55.711 56.287 -0.099 0.000 0.819 512 K CB 1.297 33.766 32.500 -0.051 0.000 1.109 512 K HN 0.715 nan 8.250 nan 0.000 0.429 513 K N 5.398 125.728 120.400 -0.116 0.000 2.265 513 K HA 0.316 4.640 4.320 0.008 0.000 0.267 513 K C -1.323 175.226 176.600 -0.085 0.000 0.994 513 K CA -0.609 55.622 56.287 -0.093 0.000 0.860 513 K CB 0.917 33.349 32.500 -0.112 0.000 1.099 513 K HN 0.506 nan 8.250 nan 0.000 0.448 514 L N 4.264 125.453 121.223 -0.056 0.000 2.333 514 L HA 0.537 4.882 4.340 0.008 0.000 0.280 514 L C -1.279 175.582 176.870 -0.015 0.000 1.004 514 L CA -0.240 54.586 54.840 -0.022 0.000 0.820 514 L CB 1.501 43.611 42.059 0.085 0.000 1.247 514 L HN 0.904 nan 8.230 nan 0.000 0.416 515 D N 2.689 122.954 120.400 -0.225 0.000 2.792 515 D HA 0.390 5.035 4.640 0.008 0.000 0.335 515 D C -1.600 174.412 176.300 -0.480 0.000 1.353 515 D CA -0.085 53.740 54.000 -0.293 0.000 0.839 515 D CB 1.874 42.448 40.800 -0.376 0.000 1.396 515 D HN 0.232 nan 8.370 nan 0.000 0.479 516 F N 0.088 119.684 119.950 -0.590 0.000 2.593 516 F HA 0.764 5.296 4.527 0.008 0.000 0.320 516 F C -0.312 175.541 175.800 0.088 0.000 1.060 516 F CA -1.052 56.664 58.000 -0.473 0.000 0.940 516 F CB 0.964 39.165 39.000 -1.332 0.000 1.268 516 F HN 0.303 nan 8.300 nan 0.000 0.475 517 I N 0.430 121.207 120.570 0.344 0.000 2.863 517 I HA 0.635 4.809 4.170 0.008 0.000 0.311 517 I C -1.116 175.192 176.117 0.318 0.000 1.026 517 I CA -1.182 60.255 61.300 0.229 0.000 1.077 517 I CB 2.044 40.179 38.000 0.225 0.000 1.262 517 I HN 0.469 nan 8.210 nan 0.000 0.461 518 I N 4.139 124.841 120.570 0.220 0.000 2.359 518 I HA 0.445 4.620 4.170 0.008 0.000 0.294 518 I C -0.783 175.470 176.117 0.226 0.000 0.987 518 I CA -0.497 60.939 61.300 0.227 0.000 1.225 518 I CB 1.435 39.531 38.000 0.160 0.000 1.366 518 I HN 0.414 nan 8.210 nan 0.000 0.466 519 L N 6.978 128.390 121.223 0.314 0.000 2.441 519 L HA 0.436 4.781 4.340 0.008 0.000 0.270 519 L C -0.094 176.930 176.870 0.256 0.000 0.973 519 L CA -0.262 54.747 54.840 0.283 0.000 0.842 519 L CB 0.913 43.184 42.059 0.353 0.000 1.239 519 L HN 0.511 nan 8.230 nan 0.000 0.406 520 N N 2.867 121.651 118.700 0.140 0.000 2.740 520 N HA -0.230 4.515 4.740 0.008 0.000 0.248 520 N C -0.161 175.396 175.510 0.079 0.000 1.062 520 N CA 1.256 54.364 53.050 0.097 0.000 0.704 520 N CB -0.934 37.608 38.487 0.092 0.000 0.968 520 N HN 0.839 nan 8.380 nan 0.000 0.547 521 E N -2.875 117.368 120.200 0.072 0.000 2.416 521 E HA -0.228 4.127 4.350 0.008 0.000 0.249 521 E C -0.873 175.735 176.600 0.013 0.000 1.124 521 E CA 1.199 57.625 56.400 0.043 0.000 0.732 521 E CB -1.731 27.985 29.700 0.027 0.000 1.286 521 E HN 0.490 nan 8.360 nan 0.000 0.394 522 T N 0.142 114.700 114.554 0.008 0.000 2.952 522 T HA 0.349 4.704 4.350 0.008 0.000 0.305 522 T C -0.324 174.234 174.700 -0.236 0.000 1.064 522 T CA -0.998 61.010 62.100 -0.154 0.000 1.008 522 T CB 1.695 70.424 68.868 -0.230 0.000 1.078 522 T HN 0.006 nan 8.240 nan 0.000 0.459 523 K N 1.843 122.051 120.400 -0.320 0.000 2.322 523 K HA 0.488 4.813 4.320 0.008 0.000 0.283 523 K C -1.086 175.218 176.600 -0.495 0.000 1.042 523 K CA -0.049 56.064 56.287 -0.291 0.000 0.958 523 K CB 0.356 32.582 32.500 -0.456 0.000 0.984 523 K HN 0.380 nan 8.250 nan 0.000 0.473 524 F N 2.109 122.118 119.950 0.099 0.000 2.518 524 F HA 0.331 4.864 4.527 0.008 0.000 0.323 524 F C -0.603 175.272 175.800 0.125 0.000 1.129 524 F CA -0.770 57.296 58.000 0.110 0.000 0.920 524 F CB 0.976 40.070 39.000 0.157 0.000 1.160 524 F HN 0.423 nan 8.300 nan 0.000 0.440 525 W N 3.719 125.170 121.300 0.251 0.000 2.375 525 W HA 0.552 5.216 4.660 0.008 0.000 0.336 525 W C -0.703 176.020 176.519 0.341 0.000 1.160 525 W CA -0.532 56.981 57.345 0.280 0.000 1.266 525 W CB 0.877 30.431 29.460 0.156 0.000 1.195 525 W HN 0.444 nan 8.180 nan 0.000 0.599 526 Y N -0.210 120.436 120.300 0.575 0.000 2.597 526 Y HA 0.614 5.168 4.550 0.008 0.000 0.340 526 Y C -1.039 175.088 175.900 0.379 0.000 1.097 526 Y CA -1.822 56.612 58.100 0.558 0.000 1.037 526 Y CB 1.080 40.030 38.460 0.817 0.000 1.305 526 Y HN 0.577 nan 8.280 nan 0.000 0.463 527 Q N 2.847 122.874 119.800 0.378 0.000 2.423 527 Q HA 0.775 5.119 4.340 0.008 0.000 0.278 527 Q C -1.752 174.350 176.000 0.169 0.000 1.097 527 Q CA -1.195 54.706 55.803 0.164 0.000 0.809 527 Q CB 3.352 32.157 28.738 0.112 0.000 1.391 527 Q HN 0.873 nan 8.270 nan 0.000 0.428 528 M N 2.272 121.897 119.600 0.041 0.000 2.327 528 M HA 0.427 4.911 4.480 0.008 0.000 0.298 528 M C -1.228 174.992 176.300 -0.134 0.000 1.065 528 M CA -0.946 54.316 55.300 -0.064 0.000 0.916 528 M CB 2.206 34.722 32.600 -0.141 0.000 1.630 528 M HN 0.598 nan 8.290 nan 0.000 0.442 529 I N 5.245 125.733 120.570 -0.137 0.000 2.281 529 I HA 0.294 4.469 4.170 0.008 0.000 0.293 529 I C -0.477 175.484 176.117 -0.261 0.000 1.085 529 I CA -0.239 60.955 61.300 -0.176 0.000 1.257 529 I CB -0.212 37.704 38.000 -0.140 0.000 1.430 529 I HN 0.620 nan 8.210 nan 0.000 0.489 530 L N 8.430 129.439 121.223 -0.356 0.000 2.276 530 L HA 0.390 4.735 4.340 0.008 0.000 0.286 530 L C -2.016 174.643 176.870 -0.351 0.000 1.061 530 L CA -1.705 52.814 54.840 -0.536 0.000 0.807 530 L CB 0.653 42.190 42.059 -0.869 0.000 1.177 530 L HN 0.248 nan 8.230 nan 0.000 0.429 531 P HA -0.008 nan 4.420 nan 0.000 0.269 531 P C -2.460 174.797 177.300 -0.072 0.000 1.205 531 P CA -0.631 62.397 63.100 -0.120 0.000 0.780 531 P CB -0.254 31.437 31.700 -0.015 0.000 0.858 532 P HA 0.027 nan 4.420 nan 0.000 0.272 532 P C -0.290 176.954 177.300 -0.093 0.000 1.223 532 P CA 0.468 63.454 63.100 -0.191 0.000 0.784 532 P CB -0.072 31.468 31.700 -0.265 0.000 0.923 533 H N -1.307 117.803 119.070 0.067 0.000 2.741 533 H HA -0.216 4.345 4.556 0.008 0.000 0.305 533 H C 0.007 175.400 175.328 0.110 0.000 1.169 533 H CA 0.002 56.093 56.048 0.072 0.000 1.144 533 H CB -2.252 27.542 29.762 0.053 0.000 1.397 533 H HN 0.399 nan 8.280 nan 0.000 0.409 534 F N 2.539 122.491 119.950 0.003 0.000 2.612 534 F HA 0.115 4.646 4.527 0.008 0.000 0.389 534 F C 0.570 176.386 175.800 0.027 0.000 1.055 534 F CA -0.059 57.907 58.000 -0.057 0.000 1.232 534 F CB 0.488 39.331 39.000 -0.262 0.000 1.044 534 F HN 0.140 nan 8.300 nan 0.000 0.560 535 D N 6.311 126.389 120.400 -0.537 0.000 2.414 535 D HA 0.187 4.831 4.640 0.008 0.000 0.232 535 D C 0.655 176.572 176.300 -0.638 0.000 1.070 535 D CA -0.395 53.350 54.000 -0.425 0.000 0.839 535 D CB 1.109 41.822 40.800 -0.144 0.000 1.079 535 D HN 0.597 nan 8.370 nan 0.000 0.521 536 K N 1.116 121.175 120.400 -0.568 0.000 2.218 536 K HA -0.126 4.198 4.320 0.008 0.000 0.205 536 K C 1.499 178.092 176.600 -0.012 0.000 1.046 536 K CA 1.295 57.423 56.287 -0.265 0.000 0.933 536 K CB 0.042 32.524 32.500 -0.030 0.000 0.728 536 K HN 0.435 nan 8.250 nan 0.000 0.454 537 S N 0.036 115.699 115.700 -0.062 0.000 2.558 537 S HA 0.067 4.542 4.470 0.008 0.000 0.217 537 S C 0.714 175.291 174.600 -0.039 0.000 0.975 537 S CA -0.033 58.153 58.200 -0.023 0.000 0.912 537 S CB 0.245 63.423 63.200 -0.037 0.000 0.776 537 S HN 0.065 nan 8.310 nan 0.000 0.526 538 K N 1.304 121.660 120.400 -0.074 0.000 2.166 538 K HA 0.368 4.692 4.320 0.008 0.000 0.245 538 K C -0.822 175.705 176.600 -0.122 0.000 0.967 538 K CA -0.675 55.515 56.287 -0.162 0.000 0.863 538 K CB 0.825 33.133 32.500 -0.320 0.000 1.107 538 K HN -0.007 nan 8.250 nan 0.000 0.436 539 K N 3.056 123.347 120.400 -0.182 0.000 2.263 539 K HA 0.219 4.544 4.320 0.008 0.000 0.272 539 K C -0.867 175.634 176.600 -0.165 0.000 1.033 539 K CA -0.307 55.939 56.287 -0.068 0.000 0.884 539 K CB 0.615 33.077 32.500 -0.062 0.000 1.107 539 K HN 0.433 nan 8.250 nan 0.000 0.460 540 Y N 3.166 123.495 120.300 0.049 0.000 2.387 540 Y HA 0.261 4.816 4.550 0.008 0.000 0.330 540 Y C -1.685 174.150 175.900 -0.109 0.000 1.133 540 Y CA -2.274 55.827 58.100 0.000 0.000 1.152 540 Y CB 0.940 39.460 38.460 0.100 0.000 1.215 540 Y HN 0.450 nan 8.280 nan 0.000 0.466 541 P HA 0.138 nan 4.420 nan 0.000 0.272 541 P C -1.115 176.034 177.300 -0.251 0.000 1.223 541 P CA -0.161 62.636 63.100 -0.504 0.000 0.784 541 P CB 1.431 32.376 31.700 -1.258 0.000 0.923 542 L N 2.881 124.008 121.223 -0.161 0.000 2.381 542 L HA 0.511 4.856 4.340 0.008 0.000 0.274 542 L C -1.216 175.835 176.870 0.302 0.000 0.988 542 L CA -1.176 53.717 54.840 0.089 0.000 0.824 542 L CB 1.750 43.878 42.059 0.114 0.000 1.263 542 L HN 0.154 nan 8.230 nan 0.000 0.410 543 L N 5.459 126.884 121.223 0.336 0.000 2.287 543 L HA 0.496 4.840 4.340 0.008 0.000 0.287 543 L C -1.175 175.940 176.870 0.409 0.000 1.022 543 L CA -0.281 54.820 54.840 0.435 0.000 0.814 543 L CB 1.546 43.819 42.059 0.357 0.000 1.217 543 L HN 0.637 nan 8.230 nan 0.000 0.420 544 L N 5.279 126.791 121.223 0.482 0.000 2.268 544 L HA 0.383 4.728 4.340 0.008 0.000 0.289 544 L C -0.503 176.615 176.870 0.413 0.000 1.064 544 L CA 0.176 55.289 54.840 0.455 0.000 0.824 544 L CB 0.445 42.821 42.059 0.527 0.000 1.202 544 L HN 0.623 nan 8.230 nan 0.000 0.433 545 D N 4.413 125.035 120.400 0.369 0.000 2.339 545 D HA 0.198 4.843 4.640 0.008 0.000 0.241 545 D C -0.973 175.415 176.300 0.146 0.000 1.183 545 D CA 0.106 54.247 54.000 0.235 0.000 0.859 545 D CB 1.297 42.303 40.800 0.344 0.000 1.067 545 D HN 0.323 nan 8.370 nan 0.000 0.484 546 V N 5.571 125.490 119.914 0.008 0.000 2.680 546 V HA 0.403 4.527 4.120 0.008 0.000 0.309 546 V C -0.804 175.385 176.094 0.158 0.000 1.052 546 V CA -0.431 61.942 62.300 0.121 0.000 0.908 546 V CB 1.792 33.684 31.823 0.115 0.000 1.001 546 V HN 0.677 nan 8.190 nan 0.000 0.431 547 Y N 5.008 125.383 120.300 0.126 0.000 3.105 547 Y HA 0.525 5.080 4.550 0.008 0.000 0.216 547 Y C 1.599 177.658 175.900 0.265 0.000 0.943 547 Y CA 1.111 59.318 58.100 0.179 0.000 1.535 547 Y CB 0.323 38.872 38.460 0.148 0.000 1.475 547 Y HN 0.924 nan 8.280 nan 0.000 0.435 548 A N 0.935 123.922 122.820 0.278 0.000 2.861 548 A HA -0.185 4.140 4.320 0.008 0.000 0.261 548 A C 0.953 178.458 177.584 -0.131 0.000 1.351 548 A CA 0.877 53.012 52.037 0.164 0.000 0.904 548 A CB -2.510 16.627 19.000 0.229 0.000 1.076 548 A HN 0.899 nan 8.150 nan 0.000 0.729 549 G N -0.405 108.094 108.800 -0.502 0.000 2.667 549 G HA2 0.451 4.415 3.960 0.008 0.000 0.250 549 G HA3 0.451 4.415 3.960 0.008 0.000 0.250 549 G C -1.837 172.766 174.900 -0.495 0.000 1.212 549 G CA -0.384 44.007 45.100 -1.181 0.000 0.874 549 G HN 0.441 nan 8.290 nan 0.000 0.561 550 P HA 0.085 nan 4.420 nan 0.000 0.271 550 P C 0.577 177.735 177.300 -0.237 0.000 1.226 550 P CA 0.075 62.897 63.100 -0.463 0.000 0.765 550 P CB 0.883 31.901 31.700 -1.136 0.000 0.835 551 C N 2.151 121.382 119.300 -0.116 0.000 4.497 551 C HA -0.156 4.309 4.460 0.008 0.000 0.268 551 C C 1.151 176.157 174.990 0.027 0.000 1.343 551 C CA 1.227 60.129 59.018 -0.193 0.000 1.742 551 C CB -2.591 24.844 27.740 -0.509 0.000 1.450 551 C HN 0.817 nan 8.230 nan 0.000 0.733 552 S N 0.200 115.999 115.700 0.164 0.000 2.593 552 S HA 0.470 4.944 4.470 0.008 0.000 0.269 552 S C -0.562 174.222 174.600 0.308 0.000 1.334 552 S CA 0.366 58.753 58.200 0.313 0.000 1.015 552 S CB 1.451 64.907 63.200 0.426 0.000 0.912 552 S HN 0.821 nan 8.310 nan 0.000 0.541 553 Q N 0.089 120.089 119.800 0.332 0.000 2.275 553 Q HA 0.364 4.709 4.340 0.008 0.000 0.258 553 Q C -0.723 175.405 176.000 0.212 0.000 0.960 553 Q CA -0.635 55.346 55.803 0.296 0.000 0.801 553 Q CB 1.052 30.008 28.738 0.362 0.000 1.302 553 Q HN 0.700 nan 8.270 nan 0.000 0.433 554 K N 1.139 121.665 120.400 0.209 0.000 2.402 554 K HA 0.343 4.668 4.320 0.008 0.000 0.203 554 K C -0.518 176.193 176.600 0.184 0.000 1.077 554 K CA 0.256 56.657 56.287 0.189 0.000 1.051 554 K CB 1.638 34.279 32.500 0.234 0.000 0.907 554 K HN 0.505 nan 8.250 nan 0.000 0.554 555 A N 2.751 125.688 122.820 0.195 0.000 2.316 555 A HA 0.435 4.760 4.320 0.008 0.000 0.324 555 A C -0.817 176.836 177.584 0.116 0.000 1.375 555 A CA -0.512 51.639 52.037 0.189 0.000 0.882 555 A CB 0.107 19.281 19.000 0.291 0.000 1.152 555 A HN 0.227 nan 8.150 nan 0.000 0.512 556 D N -0.104 120.339 120.400 0.071 0.000 2.652 556 D HA 0.445 5.090 4.640 0.008 0.000 0.285 556 D C 0.496 176.806 176.300 0.016 0.000 1.173 556 D CA 0.227 54.256 54.000 0.049 0.000 0.981 556 D CB 0.373 41.206 40.800 0.056 0.000 1.440 556 D HN 0.151 nan 8.370 nan 0.000 0.485 557 T N -2.439 112.144 114.554 0.049 0.000 3.188 557 T HA 0.267 4.622 4.350 0.008 0.000 0.250 557 T C 0.475 175.131 174.700 -0.073 0.000 1.077 557 T CA -0.377 61.741 62.100 0.030 0.000 0.967 557 T CB -0.654 68.276 68.868 0.104 0.000 1.006 557 T HN 0.260 nan 8.240 nan 0.000 0.552 558 V N 2.748 122.508 119.914 -0.256 0.000 2.572 558 V HA 0.294 4.419 4.120 0.008 0.000 0.291 558 V C 0.155 176.185 176.094 -0.107 0.000 1.039 558 V CA -0.984 61.120 62.300 -0.326 0.000 1.055 558 V CB -0.157 31.344 31.823 -0.537 0.000 0.969 558 V HN 0.542 nan 8.190 nan 0.000 0.482 559 F N 6.691 126.539 119.950 -0.170 0.000 2.467 559 F HA 0.523 5.055 4.527 0.008 0.000 0.362 559 F C 0.534 176.276 175.800 -0.097 0.000 1.090 559 F CA -0.117 57.812 58.000 -0.118 0.000 1.202 559 F CB 0.256 39.198 39.000 -0.097 0.000 1.113 559 F HN 0.442 nan 8.300 nan 0.000 0.541 560 R N 5.954 125.961 120.500 -0.822 0.000 2.795 560 R HA 0.603 4.948 4.340 0.008 0.000 0.275 560 R C -1.589 174.225 176.300 -0.811 0.000 0.981 560 R CA -1.102 54.631 56.100 -0.610 0.000 0.917 560 R CB 2.077 32.202 30.300 -0.291 0.000 1.202 560 R HN 0.657 nan 8.270 nan 0.000 0.469 561 L N 3.752 124.719 121.223 -0.426 0.000 2.324 561 L HA 0.417 4.762 4.340 0.008 0.000 0.274 561 L C -0.680 176.168 176.870 -0.036 0.000 1.012 561 L CA -0.614 54.056 54.840 -0.282 0.000 0.859 561 L CB 0.646 42.689 42.059 -0.026 0.000 1.224 561 L HN 0.773 nan 8.230 nan 0.000 0.429 562 N N 0.321 118.923 118.700 -0.164 0.000 3.479 562 N HA 0.177 4.921 4.740 0.008 0.000 0.336 562 N C 0.201 175.371 175.510 -0.567 0.000 1.623 562 N CA -0.851 52.020 53.050 -0.298 0.000 0.759 562 N CB 0.163 38.580 38.487 -0.116 0.000 2.016 562 N HN 0.288 nan 8.380 nan 0.000 0.637 563 W N 0.653 121.389 121.300 -0.939 0.000 2.355 563 W HA 0.194 4.858 4.660 0.007 0.000 0.309 563 W C 2.158 178.624 176.519 -0.088 0.000 1.206 563 W CA 2.936 59.953 57.345 -0.547 0.000 1.284 563 W CB -1.050 28.258 29.460 -0.252 0.000 1.145 563 W HN 0.698 nan 8.180 nan 0.000 0.502 564 A N -0.228 122.559 122.820 -0.055 0.000 1.917 564 A HA -0.272 4.053 4.320 0.008 0.000 0.219 564 A C 1.948 179.403 177.584 -0.213 0.000 1.182 564 A CA 2.888 54.829 52.037 -0.160 0.000 0.633 564 A CB -1.403 17.588 19.000 -0.014 0.000 0.819 564 A HN 0.330 nan 8.150 nan 0.000 0.448 565 T N -1.306 113.123 114.554 -0.208 0.000 2.684 565 T HA -0.245 4.110 4.350 0.008 0.000 0.267 565 T C 1.779 176.414 174.700 -0.109 0.000 1.036 565 T CA 1.801 63.727 62.100 -0.290 0.000 1.148 565 T CB -0.559 67.951 68.868 -0.596 0.000 0.863 565 T HN 0.717 nan 8.240 nan 0.000 0.436 566 Y N 1.876 122.195 120.300 0.032 0.000 2.145 566 Y HA -0.065 4.489 4.550 0.007 0.000 0.286 566 Y C 2.054 177.935 175.900 -0.032 0.000 1.145 566 Y CA 1.036 59.242 58.100 0.177 0.000 1.148 566 Y CB -0.578 38.012 38.460 0.217 0.000 0.981 566 Y HN 0.086 nan 8.280 nan 0.000 0.507 567 L N 0.559 121.278 121.223 -0.841 0.000 2.012 567 L HA -0.271 4.074 4.340 0.008 0.000 0.210 567 L C 2.919 179.514 176.870 -0.459 0.000 1.073 567 L CA 1.443 55.757 54.840 -0.877 0.000 0.748 567 L CB -1.054 40.558 42.059 -0.746 0.000 0.891 567 L HN 0.456 nan 8.230 nan 0.000 0.431 568 A N -1.136 121.501 122.820 -0.306 0.000 1.855 568 A HA -0.219 4.105 4.320 0.008 0.000 0.215 568 A C 2.532 180.037 177.584 -0.131 0.000 1.191 568 A CA 1.984 53.905 52.037 -0.192 0.000 0.613 568 A CB -0.796 18.089 19.000 -0.192 0.000 0.829 568 A HN 0.356 nan 8.150 nan 0.000 0.442 569 S N -1.433 114.204 115.700 -0.105 0.000 2.368 569 S HA -0.123 4.352 4.470 0.008 0.000 0.225 569 S C 1.941 176.557 174.600 0.025 0.000 1.030 569 S CA 2.315 60.508 58.200 -0.011 0.000 0.999 569 S CB -0.335 62.914 63.200 0.081 0.000 0.844 569 S HN 0.608 nan 8.310 nan 0.000 0.459 570 T N 0.794 115.338 114.554 -0.017 0.000 3.046 570 T HA 0.205 4.560 4.350 0.008 0.000 0.242 570 T C 1.316 175.998 174.700 -0.029 0.000 1.018 570 T CA 0.322 62.443 62.100 0.035 0.000 1.131 570 T CB -0.026 68.957 68.868 0.192 0.000 0.904 570 T HN 0.274 nan 8.240 nan 0.000 0.459 571 E N 1.405 121.498 120.200 -0.177 0.000 2.479 571 E HA 0.174 4.529 4.350 0.008 0.000 0.193 571 E C -0.044 176.546 176.600 -0.017 0.000 1.049 571 E CA -0.070 56.270 56.400 -0.101 0.000 0.870 571 E CB -0.310 29.276 29.700 -0.190 0.000 0.944 571 E HN 0.532 nan 8.360 nan 0.000 0.492 572 N N 0.599 119.297 118.700 -0.004 0.000 2.735 572 N HA -0.198 4.546 4.740 0.008 0.000 0.248 572 N C -0.785 174.802 175.510 0.128 0.000 1.083 572 N CA 0.195 53.308 53.050 0.104 0.000 0.703 572 N CB -1.248 37.350 38.487 0.186 0.000 1.005 572 N HN 0.198 nan 8.380 nan 0.000 0.550 573 I N 0.974 121.547 120.570 0.005 0.000 2.353 573 I HA 0.303 4.478 4.170 0.008 0.000 0.293 573 I C 0.670 176.759 176.117 -0.046 0.000 0.992 573 I CA -0.735 60.573 61.300 0.014 0.000 1.268 573 I CB 1.106 39.133 38.000 0.045 0.000 1.387 573 I HN 0.046 nan 8.210 nan 0.000 0.478 574 I N 6.732 127.282 120.570 -0.034 0.000 2.471 574 I HA 0.127 4.302 4.170 0.008 0.000 0.286 574 I C -0.019 176.084 176.117 -0.023 0.000 1.079 574 I CA -0.211 61.029 61.300 -0.100 0.000 1.398 574 I CB 1.103 39.045 38.000 -0.097 0.000 1.403 574 I HN 0.292 nan 8.210 nan 0.000 0.530 575 V N 6.867 126.755 119.914 -0.043 0.000 2.350 575 V HA 0.815 4.940 4.120 0.008 0.000 0.285 575 V C 0.009 176.141 176.094 0.062 0.000 1.014 575 V CA -0.180 62.151 62.300 0.052 0.000 0.831 575 V CB 1.091 32.951 31.823 0.063 0.000 1.000 575 V HN 0.791 nan 8.190 nan 0.000 0.433 576 A N 4.986 127.875 122.820 0.116 0.000 2.306 576 A HA 0.940 5.264 4.320 0.008 0.000 0.330 576 A C 0.095 177.848 177.584 0.282 0.000 1.146 576 A CA -0.492 51.613 52.037 0.114 0.000 0.827 576 A CB 1.685 20.639 19.000 -0.078 0.000 1.178 576 A HN 1.027 nan 8.150 nan 0.000 0.490 577 S N -0.445 115.460 115.700 0.341 0.000 2.599 577 S HA 0.821 5.296 4.470 0.008 0.000 0.287 577 S C -1.471 173.501 174.600 0.619 0.000 1.105 577 S CA -0.294 58.160 58.200 0.422 0.000 0.899 577 S CB 1.415 64.802 63.200 0.311 0.000 1.100 577 S HN 0.819 nan 8.310 nan 0.000 0.482 578 F N 1.452 121.642 119.950 0.399 0.000 2.604 578 F HA 0.407 4.939 4.527 0.008 0.000 0.316 578 F C -1.869 174.144 175.800 0.354 0.000 1.136 578 F CA -0.664 57.599 58.000 0.439 0.000 0.989 578 F CB 1.489 40.734 39.000 0.410 0.000 1.258 578 F HN 0.399 nan 8.300 nan 0.000 0.451 579 D N 4.636 124.860 120.400 -0.294 0.000 2.443 579 D HA 0.406 5.051 4.640 0.008 0.000 0.221 579 D C 0.330 176.358 176.300 -0.453 0.000 1.097 579 D CA 0.134 54.035 54.000 -0.166 0.000 0.865 579 D CB 1.562 42.418 40.800 0.093 0.000 1.034 579 D HN 0.768 nan 8.370 nan 0.000 0.511 580 G N 1.338 109.963 108.800 -0.291 0.000 2.736 580 G HA2 0.316 4.281 3.960 0.008 0.000 0.229 580 G HA3 0.316 4.281 3.960 0.008 0.000 0.229 580 G C 0.152 175.058 174.900 0.009 0.000 1.380 580 G CA -0.727 44.221 45.100 -0.253 0.000 1.040 580 G HN 0.286 nan 8.290 nan 0.000 0.568 581 R N -0.842 119.635 120.500 -0.038 0.000 2.640 581 R HA 0.353 4.698 4.340 0.008 0.000 0.270 581 R C 1.311 177.697 176.300 0.143 0.000 1.024 581 R CA 1.504 57.680 56.100 0.127 0.000 1.085 581 R CB 0.380 30.732 30.300 0.087 0.000 0.963 581 R HN 1.085 nan 8.270 nan 0.000 0.426 582 G N 0.928 109.811 108.800 0.139 0.000 2.241 582 G HA2 -0.336 3.629 3.960 0.008 0.000 0.244 582 G HA3 -0.336 3.629 3.960 0.008 0.000 0.244 582 G C 0.145 175.079 174.900 0.058 0.000 0.998 582 G CA 0.220 45.384 45.100 0.108 0.000 0.621 582 G HN 0.738 nan 8.290 nan 0.000 0.519 583 S N 0.405 116.152 115.700 0.079 0.000 2.593 583 S HA 0.653 5.128 4.470 0.008 0.000 0.269 583 S C 0.873 175.472 174.600 -0.000 0.000 1.334 583 S CA 0.465 58.709 58.200 0.073 0.000 1.015 583 S CB 1.784 65.062 63.200 0.130 0.000 0.912 583 S HN 1.656 nan 8.310 nan 0.000 0.541 584 G N -0.722 108.041 108.800 -0.062 0.000 2.531 584 G HA2 0.495 4.460 3.960 0.008 0.000 0.313 584 G HA3 0.495 4.460 3.960 0.008 0.000 0.313 584 G C -0.786 173.980 174.900 -0.224 0.000 1.238 584 G CA -1.068 43.803 45.100 -0.381 0.000 0.994 584 G HN 1.041 nan 8.290 nan 0.000 0.493 585 Y N -2.468 117.828 120.300 -0.008 0.000 4.668 585 Y HA -0.240 4.315 4.550 0.008 0.000 0.234 585 Y C 1.433 177.345 175.900 0.019 0.000 1.056 585 Y CA 1.083 59.187 58.100 0.006 0.000 2.025 585 Y CB -1.863 36.615 38.460 0.030 0.000 1.613 585 Y HN 0.513 nan 8.280 nan 0.000 0.653 586 Q N 0.156 119.987 119.800 0.051 0.000 2.118 586 Q HA 0.488 4.832 4.340 0.008 0.000 0.219 586 Q C 0.923 176.839 176.000 -0.139 0.000 0.794 586 Q CA 0.214 56.062 55.803 0.075 0.000 1.035 586 Q CB 1.802 30.580 28.738 0.067 0.000 1.177 586 Q HN 0.556 nan 8.270 nan 0.000 0.478 587 G N 0.803 109.400 108.800 -0.338 0.000 2.662 587 G HA2 -0.185 3.780 3.960 0.008 0.000 0.686 587 G HA3 -0.185 3.780 3.960 0.008 0.000 0.686 587 G C -0.520 174.020 174.900 -0.601 0.000 1.271 587 G CA -0.501 44.138 45.100 -0.768 0.000 0.816 587 G HN 0.114 nan 8.290 nan 0.000 0.608 588 D N -0.087 119.913 120.400 -0.666 0.000 2.269 588 D HA -0.024 4.621 4.640 0.008 0.000 0.208 588 D C 2.206 178.231 176.300 -0.458 0.000 0.963 588 D CA 1.290 54.849 54.000 -0.734 0.000 0.864 588 D CB 0.059 40.390 40.800 -0.782 0.000 0.936 588 D HN 0.498 nan 8.370 nan 0.000 0.505 589 K N 0.890 121.077 120.400 -0.355 0.000 2.063 589 K HA -0.079 4.246 4.320 0.008 0.000 0.208 589 K C 1.918 178.444 176.600 -0.123 0.000 1.048 589 K CA 0.954 57.124 56.287 -0.195 0.000 0.928 589 K CB -0.277 32.117 32.500 -0.176 0.000 0.713 589 K HN 0.101 nan 8.250 nan 0.000 0.442 590 I N -0.149 120.338 120.570 -0.139 0.000 2.235 590 I HA -0.187 3.988 4.170 0.008 0.000 0.241 590 I C 2.586 178.692 176.117 -0.018 0.000 1.085 590 I CA 1.233 62.524 61.300 -0.015 0.000 1.378 590 I CB -0.186 37.828 38.000 0.023 0.000 1.076 590 I HN 0.273 nan 8.210 nan 0.000 0.415 591 M N 0.018 119.529 119.600 -0.147 0.000 2.117 591 M HA -0.230 4.255 4.480 0.008 0.000 0.262 591 M C 2.078 178.403 176.300 0.041 0.000 1.065 591 M CA 1.842 57.072 55.300 -0.115 0.000 1.114 591 M CB -0.232 32.178 32.600 -0.317 0.000 1.361 591 M HN 0.263 nan 8.290 nan 0.000 0.408 592 H N -0.246 118.733 119.070 -0.151 0.000 2.547 592 H HA 0.226 4.786 4.556 0.008 0.000 0.266 592 H C 1.934 177.290 175.328 0.048 0.000 0.988 592 H CA 0.763 56.739 56.048 -0.120 0.000 1.147 592 H CB -0.549 29.062 29.762 -0.251 0.000 1.365 592 H HN 0.485 nan 8.280 nan 0.000 0.589 593 A N 1.304 124.227 122.820 0.172 0.000 1.986 593 A HA -0.180 4.144 4.320 0.008 0.000 0.220 593 A C 1.964 179.756 177.584 0.346 0.000 1.171 593 A CA 1.881 54.028 52.037 0.183 0.000 0.640 593 A CB -0.689 18.369 19.000 0.098 0.000 0.811 593 A HN 0.418 nan 8.150 nan 0.000 0.451 594 I N -2.499 118.254 120.570 0.305 0.000 3.875 594 I HA 0.156 4.331 4.170 0.008 0.000 0.329 594 I C 0.452 176.671 176.117 0.171 0.000 1.295 594 I CA -0.616 60.828 61.300 0.241 0.000 1.129 594 I CB -0.924 37.180 38.000 0.173 0.000 1.008 594 I HN 0.227 nan 8.210 nan 0.000 0.413 595 N N 3.242 122.093 118.700 0.252 0.000 2.301 595 N HA -0.128 4.617 4.740 0.008 0.000 0.267 595 N C 0.205 175.756 175.510 0.068 0.000 1.304 595 N CA 0.399 53.584 53.050 0.224 0.000 0.851 595 N CB 0.231 38.803 38.487 0.143 0.000 1.070 595 N HN 0.393 nan 8.380 nan 0.000 0.483 596 R N 0.893 121.407 120.500 0.023 0.000 3.989 596 R HA -0.159 4.186 4.340 0.008 0.000 0.377 596 R C -0.259 175.923 176.300 -0.197 0.000 1.158 596 R CA 0.840 56.907 56.100 -0.057 0.000 1.035 596 R CB -0.823 29.461 30.300 -0.025 0.000 1.557 596 R HN 0.660 nan 8.270 nan 0.000 0.551 597 R N 0.380 120.750 120.500 -0.217 0.000 2.688 597 R HA 0.188 4.533 4.340 0.008 0.000 0.396 597 R C -0.609 175.639 176.300 -0.086 0.000 1.081 597 R CA -0.645 55.173 56.100 -0.471 0.000 1.093 597 R CB 0.451 30.497 30.300 -0.423 0.000 1.338 597 R HN -0.104 nan 8.270 nan 0.000 0.613 598 L N 0.516 121.772 121.223 0.055 0.000 2.514 598 L HA 0.136 4.480 4.340 0.008 0.000 0.280 598 L C 1.534 178.650 176.870 0.411 0.000 1.223 598 L CA 1.584 56.505 54.840 0.134 0.000 0.864 598 L CB 0.122 42.015 42.059 -0.276 0.000 1.118 598 L HN 0.748 nan 8.230 nan 0.000 0.494 599 G N 1.039 110.106 108.800 0.445 0.000 2.160 599 G HA2 -0.286 3.679 3.960 0.008 0.000 0.244 599 G HA3 -0.286 3.679 3.960 0.008 0.000 0.244 599 G C 0.533 175.515 174.900 0.138 0.000 1.022 599 G CA 0.969 46.266 45.100 0.329 0.000 0.741 599 G HN 0.953 nan 8.290 nan 0.000 0.508 600 T N -3.913 110.674 114.554 0.056 0.000 3.216 600 T HA 0.469 4.823 4.350 0.008 0.000 0.167 600 T C 1.617 176.274 174.700 -0.071 0.000 0.905 600 T CA 0.890 62.911 62.100 -0.132 0.000 1.042 600 T CB 0.024 68.617 68.868 -0.459 0.000 1.787 600 T HN 0.163 nan 8.240 nan 0.000 0.355 601 F N 3.489 123.477 119.950 0.065 0.000 2.126 601 F HA 0.059 4.591 4.527 0.008 0.000 0.299 601 F C 2.851 178.683 175.800 0.053 0.000 1.096 601 F CA 1.404 59.431 58.000 0.045 0.000 1.255 601 F CB -0.696 38.327 39.000 0.038 0.000 0.997 601 F HN 0.521 nan 8.300 nan 0.000 0.479 602 E N 0.925 121.279 120.200 0.257 0.000 2.153 602 E HA -0.136 4.218 4.350 0.008 0.000 0.194 602 E C 2.091 178.798 176.600 0.178 0.000 0.988 602 E CA 1.564 58.090 56.400 0.210 0.000 0.811 602 E CB -1.055 28.777 29.700 0.219 0.000 0.746 602 E HN 0.303 nan 8.360 nan 0.000 0.466 603 V N 1.630 121.623 119.914 0.132 0.000 2.283 603 V HA -0.207 3.918 4.120 0.008 0.000 0.243 603 V C 2.395 178.522 176.094 0.055 0.000 1.039 603 V CA 2.097 64.429 62.300 0.053 0.000 1.016 603 V CB -0.659 31.150 31.823 -0.023 0.000 0.650 603 V HN 0.196 nan 8.190 nan 0.000 0.449 604 E N 0.348 120.593 120.200 0.074 0.000 2.097 604 E HA -0.265 4.090 4.350 0.008 0.000 0.196 604 E C 1.935 178.564 176.600 0.049 0.000 1.000 604 E CA 1.704 58.145 56.400 0.069 0.000 0.804 604 E CB -0.240 29.530 29.700 0.117 0.000 0.740 604 E HN 0.590 nan 8.360 nan 0.000 0.454 605 D N 0.274 120.721 120.400 0.078 0.000 2.178 605 D HA -0.144 4.501 4.640 0.008 0.000 0.201 605 D C 1.973 178.280 176.300 0.012 0.000 0.980 605 D CA 0.768 54.798 54.000 0.050 0.000 0.842 605 D CB -0.159 40.705 40.800 0.107 0.000 0.948 605 D HN 0.114 nan 8.370 nan 0.000 0.472 606 Q N 0.101 119.963 119.800 0.104 0.000 2.084 606 Q HA -0.057 4.288 4.340 0.008 0.000 0.202 606 Q C 2.560 178.586 176.000 0.043 0.000 0.978 606 Q CA 0.615 56.478 55.803 0.100 0.000 0.844 606 Q CB -0.168 28.658 28.738 0.147 0.000 0.898 606 Q HN 0.431 nan 8.270 nan 0.000 0.426 607 I N 0.653 121.266 120.570 0.072 0.000 2.179 607 I HA -0.254 3.921 4.170 0.008 0.000 0.242 607 I C 2.388 178.444 176.117 -0.101 0.000 1.088 607 I CA 1.148 62.518 61.300 0.117 0.000 1.357 607 I CB -0.238 37.827 38.000 0.108 0.000 1.051 607 I HN 0.130 nan 8.210 nan 0.000 0.409 608 E N 1.501 121.597 120.200 -0.172 0.000 2.110 608 E HA -0.200 4.155 4.350 0.008 0.000 0.193 608 E C 2.106 178.391 176.600 -0.525 0.000 0.988 608 E CA 1.649 57.884 56.400 -0.275 0.000 0.804 608 E CB -0.180 29.393 29.700 -0.211 0.000 0.745 608 E HN 0.426 nan 8.360 nan 0.000 0.458 609 A N 0.681 123.022 122.820 -0.798 0.000 1.902 609 A HA -0.035 4.290 4.320 0.008 0.000 0.217 609 A C 2.442 179.165 177.584 -1.435 0.000 1.181 609 A CA 2.053 53.236 52.037 -1.422 0.000 0.623 609 A CB -0.992 16.884 19.000 -1.874 0.000 0.818 609 A HN 0.374 nan 8.150 nan 0.000 0.443 610 A N -0.359 122.041 122.820 -0.699 0.000 1.933 610 A HA -0.154 4.170 4.320 0.008 0.000 0.218 610 A C 2.257 179.603 177.584 -0.397 0.000 1.175 610 A CA 1.468 53.266 52.037 -0.397 0.000 0.628 610 A CB -0.456 18.379 19.000 -0.276 0.000 0.814 610 A HN 0.536 nan 8.150 nan 0.000 0.444 611 R N -0.695 119.570 120.500 -0.392 0.000 2.073 611 R HA -0.123 4.221 4.340 0.008 0.000 0.234 611 R C 2.400 178.521 176.300 -0.298 0.000 1.134 611 R CA 1.459 57.382 56.100 -0.296 0.000 0.952 611 R CB -0.317 29.842 30.300 -0.235 0.000 0.850 611 R HN 0.599 nan 8.270 nan 0.000 0.433 612 Q N -0.204 119.345 119.800 -0.418 0.000 2.124 612 Q HA -0.145 4.199 4.340 0.008 0.000 0.202 612 Q C 1.985 177.832 176.000 -0.254 0.000 0.977 612 Q CA 1.309 56.894 55.803 -0.364 0.000 0.850 612 Q CB -0.165 28.295 28.738 -0.463 0.000 0.901 612 Q HN 0.301 nan 8.270 nan 0.000 0.429 613 F N 1.166 120.944 119.950 -0.287 0.000 2.234 613 F HA -0.077 4.454 4.527 0.008 0.000 0.299 613 F C 2.536 178.156 175.800 -0.300 0.000 1.087 613 F CA 0.697 58.523 58.000 -0.291 0.000 1.340 613 F CB -0.988 37.883 39.000 -0.215 0.000 1.031 613 F HN -0.047 nan 8.300 nan 0.000 0.500 614 S N 0.022 115.668 115.700 -0.089 0.000 2.382 614 S HA -0.182 4.293 4.470 0.008 0.000 0.228 614 S C 1.700 176.198 174.600 -0.170 0.000 1.027 614 S CA 1.069 59.188 58.200 -0.137 0.000 0.991 614 S CB -0.403 62.714 63.200 -0.139 0.000 0.823 614 S HN 0.393 nan 8.310 nan 0.000 0.469 615 K N 0.591 120.893 120.400 -0.164 0.000 2.551 615 K HA 0.210 4.535 4.320 0.008 0.000 0.192 615 K C 1.159 177.650 176.600 -0.182 0.000 1.027 615 K CA 0.318 56.515 56.287 -0.151 0.000 1.059 615 K CB -0.196 32.229 32.500 -0.124 0.000 0.831 615 K HN 0.411 nan 8.250 nan 0.000 0.508 616 M N -0.857 118.564 119.600 -0.298 0.000 2.495 616 M HA 0.063 4.548 4.480 0.008 0.000 0.237 616 M C 1.175 177.150 176.300 -0.542 0.000 1.131 616 M CA 0.495 55.532 55.300 -0.439 0.000 1.032 616 M CB 0.619 32.827 32.600 -0.653 0.000 1.513 616 M HN 0.419 nan 8.290 nan 0.000 0.488 617 G N 1.224 109.791 108.800 -0.388 0.000 2.253 617 G HA2 -0.318 3.647 3.960 0.008 0.000 0.251 617 G HA3 -0.318 3.647 3.960 0.008 0.000 0.251 617 G C 0.514 175.361 174.900 -0.088 0.000 0.998 617 G CA 0.530 45.519 45.100 -0.186 0.000 0.621 617 G HN 0.642 nan 8.290 nan 0.000 0.524 618 F N 0.284 120.288 119.950 0.090 0.000 2.647 618 F HA 0.769 5.300 4.527 0.008 0.000 0.300 618 F C 0.122 176.040 175.800 0.197 0.000 1.106 618 F CA -0.912 57.178 58.000 0.151 0.000 1.313 618 F CB 0.401 39.543 39.000 0.236 0.000 1.007 618 F HN 0.069 nan 8.300 nan 0.000 0.536 619 V N 1.340 121.290 119.914 0.059 0.000 2.448 619 V HA 0.198 4.322 4.120 0.008 0.000 0.295 619 V C -0.808 175.288 176.094 0.004 0.000 1.025 619 V CA -0.785 61.562 62.300 0.078 0.000 0.859 619 V CB 1.612 33.420 31.823 -0.024 0.000 0.988 619 V HN 0.102 nan 8.190 nan 0.000 0.431 620 D N 3.618 124.016 120.400 -0.004 0.000 2.352 620 D HA 0.077 4.722 4.640 0.008 0.000 0.245 620 D C 1.050 177.310 176.300 -0.067 0.000 1.224 620 D CA -0.256 53.711 54.000 -0.055 0.000 0.879 620 D CB 0.829 41.575 40.800 -0.089 0.000 1.057 620 D HN 0.655 nan 8.370 nan 0.000 0.491 621 N N 3.103 121.763 118.700 -0.066 0.000 2.521 621 N HA -0.096 4.649 4.740 0.008 0.000 0.188 621 N C 0.788 176.263 175.510 -0.059 0.000 1.146 621 N CA 0.516 53.521 53.050 -0.076 0.000 0.893 621 N CB 0.021 38.453 38.487 -0.091 0.000 0.975 621 N HN 0.324 nan 8.380 nan 0.000 0.451 622 K N -0.070 120.304 120.400 -0.043 0.000 2.426 622 K HA 0.174 4.499 4.320 0.008 0.000 0.193 622 K C 0.143 176.754 176.600 0.018 0.000 1.028 622 K CA 0.238 56.517 56.287 -0.014 0.000 1.047 622 K CB 0.369 32.861 32.500 -0.014 0.000 0.821 622 K HN 0.204 nan 8.250 nan 0.000 0.513 623 R N 1.097 121.588 120.500 -0.016 0.000 2.674 623 R HA 0.340 4.685 4.340 0.008 0.000 0.270 623 R C -0.887 175.416 176.300 0.005 0.000 1.492 623 R CA -0.141 55.959 56.100 0.001 0.000 1.624 623 R CB 0.591 30.743 30.300 -0.247 0.000 1.307 623 R HN -0.017 nan 8.270 nan 0.000 0.683 624 I N 1.063 121.717 120.570 0.141 0.000 2.377 624 I HA 0.559 4.734 4.170 0.008 0.000 0.293 624 I C 0.127 176.522 176.117 0.464 0.000 0.987 624 I CA -0.630 60.788 61.300 0.197 0.000 1.185 624 I CB 1.841 39.799 38.000 -0.069 0.000 1.341 624 I HN 0.262 nan 8.210 nan 0.000 0.455 625 A N 6.997 130.194 122.820 0.627 0.000 2.485 625 A HA 0.910 5.235 4.320 0.008 0.000 0.292 625 A C -1.233 176.724 177.584 0.621 0.000 1.147 625 A CA -0.613 51.795 52.037 0.618 0.000 0.750 625 A CB 2.039 21.297 19.000 0.430 0.000 1.331 625 A HN 0.711 nan 8.150 nan 0.000 0.419 626 I N 0.706 121.538 120.570 0.436 0.000 2.722 626 I HA 0.722 4.897 4.170 0.008 0.000 0.295 626 I C -1.838 174.522 176.117 0.406 0.000 1.161 626 I CA -0.503 60.974 61.300 0.294 0.000 1.032 626 I CB 1.616 39.480 38.000 -0.226 0.000 1.244 626 I HN 0.934 nan 8.210 nan 0.000 0.421 627 W N 7.054 128.481 121.300 0.213 0.000 3.137 627 W HA 0.846 5.510 4.660 0.007 0.000 0.324 627 W C -1.504 175.164 176.519 0.248 0.000 1.253 627 W CA -0.888 56.595 57.345 0.229 0.000 1.183 627 W CB 1.129 30.780 29.460 0.319 0.000 1.424 627 W HN 0.841 nan 8.180 nan 0.000 0.566 628 G N 0.703 109.393 108.800 -0.183 0.000 2.547 628 G HA2 0.439 4.404 3.960 0.008 0.000 0.291 628 G HA3 0.439 4.404 3.960 0.008 0.000 0.291 628 G C -2.835 172.001 174.900 -0.108 0.000 1.471 628 G CA -0.753 44.099 45.100 -0.413 0.000 0.798 628 G HN 0.617 nan 8.290 nan 0.000 0.504 629 W N 1.193 122.379 121.300 -0.190 0.000 2.736 629 W HA 0.558 5.224 4.660 0.010 0.000 0.335 629 W C 0.839 177.416 176.519 0.097 0.000 1.059 629 W CA 0.501 57.830 57.345 -0.027 0.000 1.226 629 W CB 1.634 31.087 29.460 -0.012 0.000 1.416 629 W HN 1.251 nan 8.180 nan 0.000 0.505 630 S N 2.130 118.077 115.700 0.410 0.000 4.116 630 S HA -0.435 4.040 4.470 0.008 0.000 0.623 630 S C 0.856 175.548 174.600 0.153 0.000 1.933 630 S CA 1.527 59.973 58.200 0.410 0.000 4.224 630 S CB -1.545 62.066 63.200 0.686 0.000 0.208 630 S HN 0.752 nan 8.310 nan 0.000 0.527 631 Y N 3.137 123.405 120.300 -0.054 0.000 2.207 631 Y HA -0.044 4.512 4.550 0.009 0.000 0.287 631 Y C 2.530 178.340 175.900 -0.150 0.000 1.156 631 Y CA 2.181 60.160 58.100 -0.201 0.000 1.182 631 Y CB -0.944 37.177 38.460 -0.564 0.000 0.979 631 Y HN 0.591 nan 8.280 nan 0.000 0.521 632 G N -0.974 107.829 108.800 0.005 0.000 2.432 632 G HA2 -0.233 3.732 3.960 0.008 0.000 0.219 632 G HA3 -0.233 3.732 3.960 0.008 0.000 0.219 632 G C 1.872 176.794 174.900 0.036 0.000 1.135 632 G CA 0.738 45.879 45.100 0.068 0.000 0.767 632 G HN 0.566 nan 8.290 nan 0.000 0.550 633 G N -0.109 108.721 108.800 0.050 0.000 2.418 633 G HA2 -0.251 3.714 3.960 0.008 0.000 0.217 633 G HA3 -0.251 3.714 3.960 0.008 0.000 0.217 633 G C 1.581 176.491 174.900 0.017 0.000 1.158 633 G CA 1.029 46.144 45.100 0.024 0.000 0.771 633 G HN 0.472 nan 8.290 nan 0.000 0.545 634 Y N 0.923 121.114 120.300 -0.182 0.000 2.128 634 Y HA -0.168 4.386 4.550 0.008 0.000 0.284 634 Y C 2.825 178.614 175.900 -0.185 0.000 1.154 634 Y CA 1.827 59.765 58.100 -0.271 0.000 1.149 634 Y CB -0.118 38.022 38.460 -0.533 0.000 0.976 634 Y HN 0.044 nan 8.280 nan 0.000 0.505 635 V N -0.414 119.349 119.914 -0.252 0.000 2.358 635 V HA -0.282 3.843 4.120 0.008 0.000 0.246 635 V C 2.261 178.227 176.094 -0.214 0.000 1.047 635 V CA 2.280 64.427 62.300 -0.255 0.000 1.035 635 V CB -1.003 30.821 31.823 0.002 0.000 0.658 635 V HN 0.485 nan 8.190 nan 0.000 0.452 636 T N -0.021 114.462 114.554 -0.118 0.000 2.665 636 T HA -0.211 4.144 4.350 0.008 0.000 0.268 636 T C 2.147 176.773 174.700 -0.124 0.000 1.035 636 T CA 2.101 64.144 62.100 -0.095 0.000 1.151 636 T CB -0.251 68.644 68.868 0.045 0.000 0.862 636 T HN 0.507 nan 8.240 nan 0.000 0.438 637 S N 0.912 116.565 115.700 -0.080 0.000 2.355 637 S HA 0.009 4.484 4.470 0.008 0.000 0.222 637 S C 2.159 176.650 174.600 -0.181 0.000 1.031 637 S CA 0.870 59.047 58.200 -0.039 0.000 0.993 637 S CB -0.272 62.954 63.200 0.043 0.000 0.859 637 S HN 0.309 nan 8.310 nan 0.000 0.453 638 M N 1.067 120.469 119.600 -0.330 0.000 2.149 638 M HA -0.056 4.428 4.480 0.008 0.000 0.261 638 M C 2.184 178.305 176.300 -0.299 0.000 1.064 638 M CA 1.131 56.217 55.300 -0.357 0.000 1.102 638 M CB -1.426 30.846 32.600 -0.546 0.000 1.369 638 M HN 0.178 nan 8.290 nan 0.000 0.408 639 V N 0.468 120.199 119.914 -0.305 0.000 2.307 639 V HA -0.229 3.896 4.120 0.008 0.000 0.245 639 V C 2.503 178.385 176.094 -0.352 0.000 1.045 639 V CA 1.328 63.448 62.300 -0.299 0.000 1.024 639 V CB -0.618 30.966 31.823 -0.398 0.000 0.651 639 V HN 0.400 nan 8.190 nan 0.000 0.449 640 L N 0.498 121.444 121.223 -0.462 0.000 2.191 640 L HA -0.079 4.266 4.340 0.008 0.000 0.212 640 L C 2.212 178.504 176.870 -0.963 0.000 1.103 640 L CA 1.507 55.980 54.840 -0.611 0.000 0.769 640 L CB -0.728 40.953 42.059 -0.629 0.000 0.908 640 L HN 0.494 nan 8.230 nan 0.000 0.438 641 G N -1.420 106.811 108.800 -0.949 0.000 3.189 641 G HA2 -0.051 3.914 3.960 0.008 0.000 0.225 641 G HA3 -0.051 3.914 3.960 0.008 0.000 0.225 641 G C 1.511 176.221 174.900 -0.317 0.000 1.159 641 G CA 0.572 45.228 45.100 -0.740 0.000 0.763 641 G HN 0.430 nan 8.290 nan 0.000 0.549 642 S N -0.498 115.046 115.700 -0.259 0.000 2.496 642 S HA 0.284 4.759 4.470 0.008 0.000 0.224 642 S C 1.940 176.482 174.600 -0.096 0.000 0.996 642 S CA 1.025 59.143 58.200 -0.137 0.000 0.927 642 S CB -0.176 62.966 63.200 -0.097 0.000 0.774 642 S HN 1.358 nan 8.310 nan 0.000 0.524 643 G N 1.466 110.198 108.800 -0.113 0.000 2.198 643 G HA2 -0.330 3.635 3.960 0.008 0.000 0.260 643 G HA3 -0.330 3.635 3.960 0.008 0.000 0.260 643 G C 0.879 175.759 174.900 -0.033 0.000 1.025 643 G CA 0.903 45.963 45.100 -0.067 0.000 0.769 643 G HN 1.294 nan 8.290 nan 0.000 0.507 644 S N -0.867 114.824 115.700 -0.015 0.000 2.453 644 S HA 0.323 4.797 4.470 0.008 0.000 0.231 644 S C 2.491 177.090 174.600 -0.002 0.000 1.005 644 S CA 1.550 59.752 58.200 0.003 0.000 0.949 644 S CB -0.148 63.077 63.200 0.041 0.000 0.774 644 S HN 2.387 nan 8.310 nan 0.000 0.510 645 G N 0.183 108.990 108.800 0.011 0.000 2.189 645 G HA2 -0.303 3.662 3.960 0.008 0.000 0.267 645 G HA3 -0.303 3.662 3.960 0.008 0.000 0.267 645 G C 0.796 175.681 174.900 -0.024 0.000 0.975 645 G CA 0.462 45.563 45.100 0.001 0.000 0.644 645 G HN 0.677 nan 8.290 nan 0.000 0.537 646 V N -0.564 119.319 119.914 -0.051 0.000 2.453 646 V HA 0.210 4.334 4.120 0.008 0.000 0.247 646 V C 1.254 177.125 176.094 -0.372 0.000 1.048 646 V CA 1.625 63.765 62.300 -0.267 0.000 1.049 646 V CB -0.358 31.205 31.823 -0.433 0.000 0.672 646 V HN 0.317 nan 8.190 nan 0.000 0.457 647 F N -0.248 119.713 119.950 0.018 0.000 2.436 647 F HA 0.396 4.927 4.527 0.007 0.000 0.340 647 F C 1.075 176.920 175.800 0.074 0.000 1.113 647 F CA -0.521 57.517 58.000 0.064 0.000 1.022 647 F CB 1.430 40.469 39.000 0.065 0.000 1.128 647 F HN -0.260 nan 8.300 nan 0.000 0.466 648 K N 1.593 122.160 120.400 0.278 0.000 2.116 648 K HA 0.083 4.407 4.320 0.008 0.000 0.203 648 K C -0.126 176.609 176.600 0.224 0.000 1.052 648 K CA 0.930 57.343 56.287 0.209 0.000 0.952 648 K CB 0.238 32.857 32.500 0.199 0.000 0.729 648 K HN 0.800 nan 8.250 nan 0.000 0.446 649 c N -3.054 115.719 118.600 0.288 0.000 3.321 649 c HA 0.884 5.459 4.570 0.008 0.000 0.329 649 c C -0.216 174.108 174.090 0.390 0.000 1.394 649 c CA -0.641 55.880 56.329 0.321 0.000 1.291 649 c CB 1.127 43.745 42.510 0.180 0.000 1.606 649 c HN 0.344 nan 8.230 nan 0.000 0.463 650 G N -0.088 109.016 108.800 0.507 0.000 2.623 650 G HA2 0.750 4.715 3.960 0.008 0.000 0.290 650 G HA3 0.750 4.715 3.960 0.008 0.000 0.290 650 G C -2.078 173.067 174.900 0.408 0.000 1.437 650 G CA -0.730 44.638 45.100 0.447 0.000 0.798 650 G HN 1.037 nan 8.290 nan 0.000 0.488 651 I N 0.499 121.272 120.570 0.339 0.000 2.499 651 I HA 0.608 4.783 4.170 0.008 0.000 0.288 651 I C 0.065 176.313 176.117 0.218 0.000 1.048 651 I CA -0.950 60.431 61.300 0.135 0.000 1.062 651 I CB 2.320 40.389 38.000 0.114 0.000 1.238 651 I HN 0.673 nan 8.210 nan 0.000 0.426 652 A N 6.379 129.226 122.820 0.046 0.000 2.287 652 A HA 0.792 5.117 4.320 0.008 0.000 0.317 652 A C -0.755 176.745 177.584 -0.140 0.000 1.220 652 A CA -0.522 51.542 52.037 0.045 0.000 0.835 652 A CB 1.108 20.204 19.000 0.161 0.000 1.180 652 A HN 0.439 nan 8.150 nan 0.000 0.500 653 V N 2.215 121.992 119.914 -0.228 0.000 2.370 653 V HA 0.560 4.684 4.120 0.008 0.000 0.283 653 V C 0.942 176.615 176.094 -0.703 0.000 1.023 653 V CA 0.360 62.292 62.300 -0.613 0.000 0.857 653 V CB 0.783 31.933 31.823 -1.122 0.000 0.985 653 V HN 2.083 nan 8.190 nan 0.000 0.443 654 A N 5.762 128.157 122.820 -0.708 0.000 2.560 654 A HA -0.102 4.223 4.320 0.008 0.000 0.299 654 A C -1.802 175.614 177.584 -0.280 0.000 1.484 654 A CA 0.322 51.855 52.037 -0.840 0.000 0.749 654 A CB -1.586 17.018 19.000 -0.661 0.000 1.072 654 A HN 0.612 nan 8.150 nan 0.000 0.426 655 P HA 0.385 nan 4.420 nan 0.000 0.278 655 P C 0.256 177.515 177.300 -0.068 0.000 1.238 655 P CA -0.110 62.959 63.100 -0.052 0.000 0.794 655 P CB 1.191 32.887 31.700 -0.007 0.000 0.955 656 V N 2.636 122.414 119.914 -0.227 0.000 2.637 656 V HA 0.027 4.152 4.120 0.008 0.000 0.296 656 V C 1.806 177.702 176.094 -0.331 0.000 1.046 656 V CA 1.095 63.116 62.300 -0.465 0.000 1.066 656 V CB 0.613 31.759 31.823 -1.128 0.000 0.968 656 V HN 0.825 nan 8.190 nan 0.000 0.483 657 S N 4.268 119.819 115.700 -0.248 0.000 2.564 657 S HA 0.232 4.707 4.470 0.008 0.000 0.231 657 S C 0.521 174.965 174.600 -0.260 0.000 1.067 657 S CA -0.341 57.785 58.200 -0.123 0.000 0.908 657 S CB 0.312 63.506 63.200 -0.011 0.000 0.809 657 S HN 0.837 nan 8.310 nan 0.000 0.491 658 R N -1.275 118.962 120.500 -0.438 0.000 2.604 658 R HA 0.407 4.752 4.340 0.008 0.000 0.270 658 R C -0.958 175.013 176.300 -0.548 0.000 1.052 658 R CA -0.917 54.836 56.100 -0.579 0.000 0.902 658 R CB 0.015 30.015 30.300 -0.500 0.000 1.233 658 R HN 0.186 nan 8.270 nan 0.000 0.455 659 W N 1.278 122.492 121.300 -0.144 0.000 2.465 659 W HA 0.010 4.675 4.660 0.009 0.000 0.268 659 W C 1.166 177.836 176.519 0.251 0.000 1.242 659 W CA 0.592 57.947 57.345 0.017 0.000 1.248 659 W CB 0.254 29.623 29.460 -0.152 0.000 1.118 659 W HN 0.740 nan 8.180 nan 0.000 0.587 660 E N -0.930 119.469 120.200 0.330 0.000 2.338 660 E HA -0.190 4.165 4.350 0.008 0.000 0.197 660 E C 1.342 178.099 176.600 0.262 0.000 1.007 660 E CA 0.979 57.505 56.400 0.211 0.000 0.849 660 E CB -0.377 29.330 29.700 0.011 0.000 0.774 660 E HN 0.340 nan 8.360 nan 0.000 0.506 661 Y N -1.299 119.103 120.300 0.170 0.000 2.519 661 Y HA 0.058 4.613 4.550 0.007 0.000 0.287 661 Y C 0.686 176.702 175.900 0.194 0.000 1.128 661 Y CA -0.283 57.888 58.100 0.119 0.000 1.282 661 Y CB -0.446 38.026 38.460 0.020 0.000 1.027 661 Y HN 0.033 nan 8.280 nan 0.000 0.551 662 Y N 1.768 122.240 120.300 0.286 0.000 2.392 662 Y HA 0.289 4.843 4.550 0.008 0.000 0.323 662 Y C 0.367 176.498 175.900 0.385 0.000 1.291 662 Y CA -2.150 56.124 58.100 0.291 0.000 1.345 662 Y CB 0.360 39.013 38.460 0.321 0.000 1.320 662 Y HN 0.184 nan 8.280 nan 0.000 0.518 663 D N -0.501 119.617 120.400 -0.471 0.000 2.361 663 D HA 0.075 4.719 4.640 0.008 0.000 0.239 663 D C 0.898 177.190 176.300 -0.014 0.000 1.200 663 D CA 0.421 54.226 54.000 -0.324 0.000 0.915 663 D CB 0.775 41.160 40.800 -0.692 0.000 1.170 663 D HN 0.475 nan 8.370 nan 0.000 0.444 664 S N 0.621 116.323 115.700 0.004 0.000 2.345 664 S HA -0.182 4.293 4.470 0.008 0.000 0.220 664 S C 1.975 176.616 174.600 0.068 0.000 1.031 664 S CA 0.981 59.238 58.200 0.094 0.000 0.996 664 S CB -0.970 62.296 63.200 0.109 0.000 0.882 664 S HN 0.422 nan 8.310 nan 0.000 0.445 665 V N 0.878 120.772 119.914 -0.034 0.000 2.332 665 V HA -0.187 3.938 4.120 0.008 0.000 0.248 665 V C 2.296 178.311 176.094 -0.132 0.000 1.055 665 V CA 2.255 64.437 62.300 -0.196 0.000 1.038 665 V CB -1.048 30.504 31.823 -0.452 0.000 0.651 665 V HN 0.608 nan 8.190 nan 0.000 0.450 666 Y N 1.098 121.343 120.300 -0.092 0.000 2.176 666 Y HA -0.190 4.365 4.550 0.008 0.000 0.291 666 Y C 2.722 178.644 175.900 0.037 0.000 1.122 666 Y CA 2.204 60.324 58.100 0.034 0.000 1.128 666 Y CB -0.399 38.260 38.460 0.331 0.000 1.005 666 Y HN 0.195 nan 8.280 nan 0.000 0.509 667 T N 0.429 115.203 114.554 0.366 0.000 2.674 667 T HA -0.189 4.166 4.350 0.008 0.000 0.265 667 T C 1.514 176.213 174.700 -0.002 0.000 1.039 667 T CA 1.935 64.198 62.100 0.273 0.000 1.150 667 T CB -0.300 68.873 68.868 0.508 0.000 0.864 667 T HN 0.434 nan 8.240 nan 0.000 0.427 668 E N 0.579 120.800 120.200 0.035 0.000 2.268 668 E HA -0.078 4.276 4.350 0.008 0.000 0.195 668 E C 2.323 178.825 176.600 -0.165 0.000 0.995 668 E CA 0.354 56.764 56.400 0.016 0.000 0.836 668 E CB -0.106 29.645 29.700 0.086 0.000 0.763 668 E HN 0.329 nan 8.360 nan 0.000 0.491 669 R N 0.102 120.343 120.500 -0.430 0.000 2.105 669 R HA -0.181 4.164 4.340 0.008 0.000 0.239 669 R C 1.080 176.867 176.300 -0.854 0.000 1.135 669 R CA 1.526 57.173 56.100 -0.755 0.000 0.967 669 R CB 0.075 29.582 30.300 -1.320 0.000 0.861 669 R HN 0.248 nan 8.270 nan 0.000 0.442 670 Y N -2.506 117.514 120.300 -0.466 0.000 2.535 670 Y HA 0.225 4.780 4.550 0.008 0.000 0.264 670 Y C 1.700 177.427 175.900 -0.288 0.000 1.087 670 Y CA -0.105 57.719 58.100 -0.461 0.000 1.285 670 Y CB 0.379 38.424 38.460 -0.691 0.000 1.200 670 Y HN -0.077 nan 8.280 nan 0.000 0.514 671 M N -0.151 119.352 119.600 -0.162 0.000 2.382 671 M HA 0.354 4.839 4.480 0.008 0.000 0.247 671 M C 1.110 177.430 176.300 0.035 0.000 1.104 671 M CA 0.775 55.963 55.300 -0.186 0.000 1.030 671 M CB -0.604 31.692 32.600 -0.506 0.000 1.424 671 M HN 0.365 nan 8.290 nan 0.000 0.486 672 G N 1.701 110.539 108.800 0.063 0.000 2.601 672 G HA2 -0.218 3.747 3.960 0.008 0.000 0.252 672 G HA3 -0.218 3.747 3.960 0.008 0.000 0.252 672 G C -0.710 174.333 174.900 0.238 0.000 1.294 672 G CA -0.763 44.413 45.100 0.127 0.000 0.912 672 G HN 0.258 nan 8.290 nan 0.000 0.574 673 L N 2.472 123.802 121.223 0.178 0.000 2.334 673 L HA 0.516 4.861 4.340 0.008 0.000 0.277 673 L C -1.269 175.608 176.870 0.012 0.000 1.075 673 L CA -1.969 52.931 54.840 0.099 0.000 0.804 673 L CB 1.196 43.276 42.059 0.035 0.000 1.174 673 L HN 0.427 nan 8.230 nan 0.000 0.438 674 P HA 0.080 nan 4.420 nan 0.000 0.228 674 P C -0.617 176.533 177.300 -0.249 0.000 1.748 674 P CA -0.128 62.555 63.100 -0.696 0.000 0.909 674 P CB -0.559 30.439 31.700 -1.170 0.000 1.882 675 T N -3.464 111.035 114.554 -0.093 0.000 2.912 675 T HA 0.466 4.820 4.350 0.008 0.000 0.288 675 T C -2.216 172.483 174.700 -0.002 0.000 1.030 675 T CA -2.524 59.551 62.100 -0.042 0.000 1.020 675 T CB 1.765 70.620 68.868 -0.022 0.000 1.056 675 T HN -0.295 nan 8.240 nan 0.000 0.480 676 P HA -0.127 nan 4.420 nan 0.000 0.218 676 P C 1.315 178.628 177.300 0.022 0.000 1.146 676 P CA 0.939 64.049 63.100 0.016 0.000 0.813 676 P CB 0.103 31.809 31.700 0.010 0.000 0.778 677 E N -1.665 118.545 120.200 0.017 0.000 2.489 677 E HA -0.020 4.334 4.350 0.008 0.000 0.193 677 E C 0.752 177.369 176.600 0.028 0.000 1.057 677 E CA 0.586 56.997 56.400 0.019 0.000 0.866 677 E CB -0.163 29.543 29.700 0.010 0.000 0.916 677 E HN 0.236 nan 8.360 nan 0.000 0.500 678 D N 0.874 121.297 120.400 0.039 0.000 3.112 678 D HA 0.048 4.692 4.640 0.008 0.000 0.212 678 D C 0.289 176.646 176.300 0.095 0.000 1.376 678 D CA -0.108 53.928 54.000 0.060 0.000 1.411 678 D CB -0.059 40.779 40.800 0.064 0.000 0.965 678 D HN -0.008 nan 8.370 nan 0.000 0.192 679 N N 0.051 118.842 118.700 0.151 0.000 2.241 679 N HA 0.110 4.855 4.740 0.008 0.000 0.238 679 N C 1.085 176.800 175.510 0.342 0.000 1.244 679 N CA -0.098 53.098 53.050 0.243 0.000 0.880 679 N CB 0.299 38.966 38.487 0.300 0.000 1.179 679 N HN 0.112 nan 8.380 nan 0.000 0.513 680 L N 0.671 122.005 121.223 0.185 0.000 2.013 680 L HA -0.164 4.181 4.340 0.008 0.000 0.212 680 L C 1.207 178.187 176.870 0.182 0.000 1.073 680 L CA 1.995 56.916 54.840 0.134 0.000 0.753 680 L CB -0.460 41.617 42.059 0.030 0.000 0.890 680 L HN 0.109 nan 8.230 nan 0.000 0.432 681 D N -1.589 118.900 120.400 0.148 0.000 2.116 681 D HA -0.265 4.380 4.640 0.008 0.000 0.193 681 D C 2.129 178.524 176.300 0.158 0.000 0.998 681 D CA 1.851 55.928 54.000 0.127 0.000 0.836 681 D CB -0.190 40.673 40.800 0.106 0.000 0.951 681 D HN 0.597 nan 8.370 nan 0.000 0.449 682 H N -1.236 117.900 119.070 0.110 0.000 2.436 682 H HA -0.017 4.544 4.556 0.008 0.000 0.294 682 H C 1.665 177.055 175.328 0.103 0.000 1.048 682 H CA 1.120 57.211 56.048 0.071 0.000 1.353 682 H CB -0.256 29.511 29.762 0.009 0.000 1.414 682 H HN 0.178 nan 8.280 nan 0.000 0.536 683 Y N 0.295 120.585 120.300 -0.016 0.000 2.165 683 Y HA -0.207 4.347 4.550 0.007 0.000 0.286 683 Y C 2.450 178.309 175.900 -0.067 0.000 1.155 683 Y CA 1.446 59.537 58.100 -0.015 0.000 1.164 683 Y CB 0.085 38.569 38.460 0.041 0.000 0.978 683 Y HN 0.119 nan 8.280 nan 0.000 0.513 684 R N 0.017 120.589 120.500 0.120 0.000 2.115 684 R HA -0.110 4.235 4.340 0.008 0.000 0.230 684 R C 1.644 177.936 176.300 -0.013 0.000 1.111 684 R CA 0.945 57.069 56.100 0.040 0.000 0.976 684 R CB -0.936 29.390 30.300 0.042 0.000 0.870 684 R HN 0.525 nan 8.270 nan 0.000 0.445 685 N N 0.597 119.267 118.700 -0.049 0.000 2.409 685 N HA -0.071 4.674 4.740 0.008 0.000 0.179 685 N C 0.555 175.996 175.510 -0.115 0.000 1.032 685 N CA 1.077 54.088 53.050 -0.065 0.000 0.898 685 N CB 0.194 38.675 38.487 -0.009 0.000 0.971 685 N HN 0.155 nan 8.380 nan 0.000 0.441 686 S N 0.009 115.584 115.700 -0.208 0.000 2.583 686 S HA 0.045 4.519 4.470 0.008 0.000 0.239 686 S C 0.569 175.206 174.600 0.061 0.000 0.966 686 S CA -0.722 57.417 58.200 -0.102 0.000 0.973 686 S CB -0.191 62.875 63.200 -0.224 0.000 0.794 686 S HN 0.143 nan 8.310 nan 0.000 0.463 687 T N -1.288 113.260 114.554 -0.009 0.000 2.909 687 T HA 0.438 4.793 4.350 0.008 0.000 0.289 687 T C 1.340 176.036 174.700 -0.007 0.000 1.005 687 T CA -0.184 61.902 62.100 -0.024 0.000 1.084 687 T CB 1.524 70.351 68.868 -0.069 0.000 0.975 687 T HN 0.332 nan 8.240 nan 0.000 0.509 688 V N 2.848 122.757 119.914 -0.008 0.000 2.427 688 V HA -0.098 4.027 4.120 0.008 0.000 0.248 688 V C 2.276 178.348 176.094 -0.037 0.000 1.051 688 V CA 1.720 64.004 62.300 -0.028 0.000 1.048 688 V CB -1.130 30.670 31.823 -0.039 0.000 0.666 688 V HN 0.886 nan 8.190 nan 0.000 0.456 689 M N 2.337 121.898 119.600 -0.064 0.000 2.108 689 M HA -0.189 4.296 4.480 0.008 0.000 0.257 689 M C 2.428 178.705 176.300 -0.039 0.000 1.071 689 M CA 2.620 57.877 55.300 -0.071 0.000 1.093 689 M CB -1.157 31.412 32.600 -0.052 0.000 1.345 689 M HN 0.755 nan 8.290 nan 0.000 0.403 690 S N -0.452 115.234 115.700 -0.024 0.000 2.507 690 S HA -0.078 4.397 4.470 0.008 0.000 0.235 690 S C 1.736 176.339 174.600 0.006 0.000 0.988 690 S CA 0.731 58.925 58.200 -0.010 0.000 0.944 690 S CB -0.455 62.738 63.200 -0.012 0.000 0.762 690 S HN 0.560 nan 8.310 nan 0.000 0.526 691 R N 0.215 120.732 120.500 0.028 0.000 2.362 691 R HA 0.439 4.783 4.340 0.008 0.000 0.227 691 R C 2.239 178.643 176.300 0.173 0.000 0.905 691 R CA 0.439 56.578 56.100 0.066 0.000 1.067 691 R CB -0.217 30.108 30.300 0.042 0.000 1.078 691 R HN 0.469 nan 8.270 nan 0.000 0.516 692 A N 1.750 124.635 122.820 0.107 0.000 1.903 692 A HA -0.305 4.020 4.320 0.008 0.000 0.219 692 A C 2.025 179.703 177.584 0.157 0.000 1.191 692 A CA 2.008 54.088 52.037 0.072 0.000 0.638 692 A CB -0.318 18.642 19.000 -0.065 0.000 0.823 692 A HN 0.239 nan 8.150 nan 0.000 0.451 693 E N 0.498 120.753 120.200 0.092 0.000 2.097 693 E HA -0.192 4.163 4.350 0.008 0.000 0.196 693 E C 1.612 178.264 176.600 0.087 0.000 1.000 693 E CA 1.704 58.149 56.400 0.074 0.000 0.804 693 E CB -0.292 29.434 29.700 0.042 0.000 0.740 693 E HN 0.597 nan 8.360 nan 0.000 0.454 694 N N -0.554 118.187 118.700 0.069 0.000 2.520 694 N HA -0.099 4.646 4.740 0.008 0.000 0.185 694 N C 0.767 176.244 175.510 -0.055 0.000 1.068 694 N CA 0.439 53.480 53.050 -0.016 0.000 0.911 694 N CB -0.229 38.200 38.487 -0.096 0.000 0.961 694 N HN 0.212 nan 8.380 nan 0.000 0.446 695 F N 1.224 121.127 119.950 -0.078 0.000 2.699 695 F HA 0.068 4.600 4.527 0.008 0.000 0.298 695 F C 1.894 177.695 175.800 0.001 0.000 1.154 695 F CA 0.506 58.456 58.000 -0.084 0.000 1.457 695 F CB 0.089 38.988 39.000 -0.167 0.000 1.106 695 F HN -0.052 nan 8.300 nan 0.000 0.585 696 K N -0.053 120.441 120.400 0.157 0.000 2.209 696 K HA -0.181 4.144 4.320 0.008 0.000 0.204 696 K C 1.599 178.256 176.600 0.095 0.000 1.048 696 K CA 1.112 57.473 56.287 0.124 0.000 0.940 696 K CB -0.175 32.378 32.500 0.089 0.000 0.729 696 K HN 0.407 nan 8.250 nan 0.000 0.451 697 Q N 0.340 120.174 119.800 0.057 0.000 2.444 697 Q HA 0.009 4.354 4.340 0.008 0.000 0.206 697 Q C 0.270 176.308 176.000 0.062 0.000 0.948 697 Q CA 0.170 55.998 55.803 0.042 0.000 0.946 697 Q CB 0.525 29.267 28.738 0.007 0.000 1.027 697 Q HN 0.138 nan 8.270 nan 0.000 0.513 698 V N -3.254 116.715 119.914 0.092 0.000 3.159 698 V HA 0.481 4.606 4.120 0.008 0.000 0.308 698 V C -1.393 174.845 176.094 0.241 0.000 1.190 698 V CA -1.337 61.045 62.300 0.137 0.000 1.037 698 V CB 2.379 34.248 31.823 0.076 0.000 1.060 698 V HN -0.079 nan 8.190 nan 0.000 0.437 699 E N 1.802 122.175 120.200 0.289 0.000 2.200 699 E HA 0.528 4.883 4.350 0.008 0.000 0.283 699 E C -1.698 175.279 176.600 0.628 0.000 1.015 699 E CA -0.272 56.375 56.400 0.410 0.000 0.819 699 E CB 1.548 31.425 29.700 0.295 0.000 1.081 699 E HN 0.675 nan 8.360 nan 0.000 0.397 700 Y N 3.102 123.668 120.300 0.443 0.000 2.446 700 Y HA 0.553 5.107 4.550 0.006 0.000 0.345 700 Y C -1.714 174.236 175.900 0.083 0.000 0.984 700 Y CA -1.596 56.692 58.100 0.313 0.000 1.058 700 Y CB 1.160 39.818 38.460 0.330 0.000 1.220 700 Y HN 0.437 nan 8.280 nan 0.000 0.455 701 L N 6.859 127.756 121.223 -0.542 0.000 2.381 701 L HA 0.637 4.982 4.340 0.008 0.000 0.274 701 L C -2.219 174.146 176.870 -0.842 0.000 0.988 701 L CA -0.768 53.610 54.840 -0.770 0.000 0.824 701 L CB 1.539 42.856 42.059 -1.237 0.000 1.263 701 L HN 0.620 nan 8.230 nan 0.000 0.410 702 L N 6.552 127.403 121.223 -0.620 0.000 2.325 702 L HA 0.708 5.053 4.340 0.008 0.000 0.281 702 L C -1.278 175.464 176.870 -0.213 0.000 1.004 702 L CA -0.065 54.474 54.840 -0.502 0.000 0.823 702 L CB 1.272 43.066 42.059 -0.442 0.000 1.236 702 L HN 0.558 nan 8.230 nan 0.000 0.415 703 I N 4.384 124.844 120.570 -0.184 0.000 2.582 703 I HA 0.476 4.651 4.170 0.008 0.000 0.292 703 I C -1.223 174.872 176.117 -0.036 0.000 1.066 703 I CA -0.750 60.502 61.300 -0.081 0.000 1.053 703 I CB 2.142 40.061 38.000 -0.135 0.000 1.241 703 I HN 0.693 nan 8.210 nan 0.000 0.421 704 H N 2.203 121.313 119.070 0.068 0.000 3.123 704 H HA 0.431 4.992 4.556 0.008 0.000 0.346 704 H C -0.409 175.139 175.328 0.366 0.000 1.138 704 H CA -0.586 55.543 56.048 0.135 0.000 1.273 704 H CB 1.924 31.709 29.762 0.039 0.000 1.926 704 H HN 0.766 nan 8.280 nan 0.000 0.524 705 G N 1.088 110.235 108.800 0.579 0.000 2.390 705 G HA2 0.215 4.180 3.960 0.008 0.000 0.270 705 G HA3 0.215 4.180 3.960 0.008 0.000 0.270 705 G C 1.150 176.344 174.900 0.490 0.000 1.211 705 G CA 0.151 45.556 45.100 0.508 0.000 0.842 705 G HN 0.739 nan 8.290 nan 0.000 0.519 706 T N -0.764 113.949 114.554 0.264 0.000 3.035 706 T HA 0.126 4.481 4.350 0.008 0.000 0.268 706 T C 1.632 176.337 174.700 0.009 0.000 1.109 706 T CA 1.180 63.262 62.100 -0.029 0.000 1.119 706 T CB 0.198 68.939 68.868 -0.212 0.000 0.900 706 T HN 0.681 nan 8.240 nan 0.000 0.503 707 A N 1.094 123.989 122.820 0.125 0.000 2.708 707 A HA 0.320 4.644 4.320 0.008 0.000 0.293 707 A C 0.338 177.923 177.584 0.001 0.000 1.303 707 A CA -0.529 51.575 52.037 0.112 0.000 0.949 707 A CB -0.296 19.017 19.000 0.522 0.000 1.121 707 A HN 0.383 nan 8.150 nan 0.000 0.542 708 D N 1.478 121.879 120.400 0.002 0.000 2.346 708 D HA -0.002 4.642 4.640 0.008 0.000 0.260 708 D C 0.387 176.656 176.300 -0.051 0.000 1.252 708 D CA 0.113 54.212 54.000 0.165 0.000 0.895 708 D CB 0.730 41.790 40.800 0.433 0.000 1.097 708 D HN 0.574 nan 8.370 nan 0.000 0.489 709 D N 2.155 122.591 120.400 0.061 0.000 2.347 709 D HA -0.103 4.542 4.640 0.008 0.000 0.213 709 D C 0.981 177.262 176.300 -0.032 0.000 0.985 709 D CA 0.152 54.127 54.000 -0.042 0.000 0.879 709 D CB 0.309 41.019 40.800 -0.151 0.000 0.919 709 D HN 0.442 nan 8.370 nan 0.000 0.526 710 N N -0.003 118.780 118.700 0.137 0.000 2.418 710 N HA -0.013 4.731 4.740 0.008 0.000 0.199 710 N C -0.241 175.242 175.510 -0.043 0.000 1.044 710 N CA 0.114 53.285 53.050 0.201 0.000 0.943 710 N CB 0.841 39.474 38.487 0.243 0.000 1.154 710 N HN -0.177 nan 8.380 nan 0.000 0.467 711 V N 2.410 122.319 119.914 -0.007 0.000 2.318 711 V HA 0.221 4.345 4.120 0.008 0.000 0.271 711 V C -0.917 175.273 176.094 0.160 0.000 1.030 711 V CA -0.385 61.946 62.300 0.051 0.000 0.844 711 V CB 0.177 32.071 31.823 0.118 0.000 1.015 711 V HN 0.329 nan 8.190 nan 0.000 0.460 712 H N 3.399 122.476 119.070 0.011 0.000 2.815 712 H HA 0.040 4.600 4.556 0.007 0.000 0.350 712 H C 0.798 175.976 175.328 -0.250 0.000 1.080 712 H CA -0.157 55.799 56.048 -0.154 0.000 1.433 712 H CB 0.847 30.427 29.762 -0.304 0.000 1.432 712 H HN 0.636 nan 8.280 nan 0.000 0.592 713 F N 2.057 121.774 119.950 -0.387 0.000 2.147 713 F HA -0.352 4.179 4.527 0.007 0.000 0.301 713 F C 2.630 178.143 175.800 -0.478 0.000 1.084 713 F CA 1.984 59.550 58.000 -0.723 0.000 1.268 713 F CB -0.195 38.575 39.000 -0.384 0.000 1.009 713 F HN 0.683 nan 8.300 nan 0.000 0.486 714 Q N 0.099 119.777 119.800 -0.203 0.000 2.207 714 Q HA -0.359 3.986 4.340 0.008 0.000 0.215 714 Q C 2.111 177.865 176.000 -0.410 0.000 1.006 714 Q CA 2.570 58.191 55.803 -0.303 0.000 0.903 714 Q CB -0.387 28.139 28.738 -0.354 0.000 0.947 714 Q HN 0.627 nan 8.270 nan 0.000 0.414 715 Q N -0.548 119.051 119.800 -0.336 0.000 2.050 715 Q HA -0.111 4.233 4.340 0.008 0.000 0.202 715 Q C 2.288 178.186 176.000 -0.169 0.000 0.980 715 Q CA 1.699 57.416 55.803 -0.143 0.000 0.840 715 Q CB -0.089 28.656 28.738 0.012 0.000 0.898 715 Q HN 0.338 nan 8.270 nan 0.000 0.424 716 S N 0.821 116.324 115.700 -0.327 0.000 2.406 716 S HA -0.036 4.439 4.470 0.008 0.000 0.228 716 S C 2.068 176.410 174.600 -0.431 0.000 1.020 716 S CA 0.762 58.758 58.200 -0.339 0.000 0.965 716 S CB -0.135 62.850 63.200 -0.358 0.000 0.798 716 S HN 0.467 nan 8.310 nan 0.000 0.488 717 A N 1.511 123.966 122.820 -0.608 0.000 1.940 717 A HA -0.156 4.169 4.320 0.008 0.000 0.219 717 A C 2.128 179.605 177.584 -0.179 0.000 1.176 717 A CA 1.216 53.033 52.037 -0.367 0.000 0.631 717 A CB -0.439 18.424 19.000 -0.229 0.000 0.814 717 A HN 0.378 nan 8.150 nan 0.000 0.446 718 Q N -0.501 119.202 119.800 -0.161 0.000 2.172 718 Q HA -0.011 4.333 4.340 0.008 0.000 0.200 718 Q C 2.121 178.070 176.000 -0.085 0.000 0.964 718 Q CA 1.035 56.799 55.803 -0.065 0.000 0.855 718 Q CB -0.342 28.428 28.738 0.054 0.000 0.918 718 Q HN 0.785 nan 8.270 nan 0.000 0.444 719 I N 1.188 121.680 120.570 -0.131 0.000 2.179 719 I HA -0.284 3.891 4.170 0.008 0.000 0.242 719 I C 2.597 178.548 176.117 -0.276 0.000 1.088 719 I CA 1.462 62.640 61.300 -0.203 0.000 1.357 719 I CB -0.438 37.446 38.000 -0.194 0.000 1.051 719 I HN 0.189 nan 8.210 nan 0.000 0.409 720 S N 0.974 116.548 115.700 -0.210 0.000 2.359 720 S HA -0.297 4.178 4.470 0.008 0.000 0.224 720 S C 2.055 176.644 174.600 -0.018 0.000 1.035 720 S CA 1.581 59.714 58.200 -0.112 0.000 1.018 720 S CB -0.502 62.778 63.200 0.133 0.000 0.876 720 S HN 0.367 nan 8.310 nan 0.000 0.448 721 K N 1.710 122.095 120.400 -0.026 0.000 2.063 721 K HA -0.023 4.302 4.320 0.008 0.000 0.208 721 K C 2.287 178.872 176.600 -0.024 0.000 1.048 721 K CA 1.285 57.571 56.287 -0.002 0.000 0.928 721 K CB -0.709 31.786 32.500 -0.009 0.000 0.713 721 K HN 0.473 nan 8.250 nan 0.000 0.442 722 A N 0.885 123.659 122.820 -0.077 0.000 1.930 722 A HA -0.079 4.246 4.320 0.008 0.000 0.217 722 A C 2.074 179.595 177.584 -0.104 0.000 1.175 722 A CA 1.143 53.129 52.037 -0.084 0.000 0.627 722 A CB -0.496 18.439 19.000 -0.108 0.000 0.815 722 A HN 0.316 nan 8.150 nan 0.000 0.443 723 L N -0.702 120.408 121.223 -0.189 0.000 2.056 723 L HA -0.138 4.207 4.340 0.008 0.000 0.207 723 L C 2.524 179.414 176.870 0.034 0.000 1.078 723 L CA 0.963 55.690 54.840 -0.189 0.000 0.749 723 L CB -0.594 41.132 42.059 -0.555 0.000 0.901 723 L HN 0.236 nan 8.230 nan 0.000 0.433 724 V N -0.093 119.887 119.914 0.111 0.000 2.295 724 V HA -0.302 3.823 4.120 0.008 0.000 0.246 724 V C 2.041 178.178 176.094 0.072 0.000 1.049 724 V CA 1.947 64.331 62.300 0.140 0.000 1.024 724 V CB -0.518 31.386 31.823 0.134 0.000 0.648 724 V HN 0.426 nan 8.190 nan 0.000 0.447 725 D N 0.183 120.606 120.400 0.039 0.000 2.218 725 D HA -0.111 4.534 4.640 0.008 0.000 0.204 725 D C 1.730 178.046 176.300 0.027 0.000 0.976 725 D CA 1.667 55.682 54.000 0.026 0.000 0.853 725 D CB -0.097 40.710 40.800 0.011 0.000 0.939 725 D HN 0.563 nan 8.370 nan 0.000 0.481 726 V N -3.909 116.022 119.914 0.028 0.000 3.483 726 V HA 0.507 4.632 4.120 0.008 0.000 0.301 726 V C 1.161 177.287 176.094 0.053 0.000 1.389 726 V CA 0.268 62.588 62.300 0.034 0.000 1.101 726 V CB -0.054 31.785 31.823 0.027 0.000 0.971 726 V HN 0.133 nan 8.190 nan 0.000 0.434 727 G N 0.595 109.436 108.800 0.067 0.000 2.272 727 G HA2 -0.182 3.783 3.960 0.008 0.000 0.280 727 G HA3 -0.182 3.783 3.960 0.008 0.000 0.280 727 G C -0.107 174.859 174.900 0.110 0.000 1.067 727 G CA 0.242 45.391 45.100 0.082 0.000 0.902 727 G HN 0.859 nan 8.290 nan 0.000 0.500 728 V N 0.539 120.541 119.914 0.146 0.000 2.407 728 V HA 0.433 4.558 4.120 0.008 0.000 0.278 728 V C 0.467 176.752 176.094 0.318 0.000 1.037 728 V CA -0.511 61.909 62.300 0.199 0.000 0.900 728 V CB 1.702 33.622 31.823 0.162 0.000 0.983 728 V HN 0.455 nan 8.190 nan 0.000 0.459 729 D N 4.169 124.727 120.400 0.263 0.000 2.302 729 D HA 0.604 5.249 4.640 0.008 0.000 0.248 729 D C -0.519 176.021 176.300 0.400 0.000 1.094 729 D CA 0.191 54.336 54.000 0.242 0.000 0.897 729 D CB 0.809 41.681 40.800 0.121 0.000 1.200 729 D HN 0.369 nan 8.370 nan 0.000 0.429 730 F N -0.719 119.302 119.950 0.120 0.000 2.877 730 F HA 0.458 4.988 4.527 0.006 0.000 0.319 730 F C -1.558 174.290 175.800 0.080 0.000 1.174 730 F CA -1.104 56.986 58.000 0.150 0.000 0.903 730 F CB 0.842 39.962 39.000 0.200 0.000 1.357 730 F HN 0.179 nan 8.300 nan 0.000 0.472 731 Q N 1.276 121.136 119.800 0.100 0.000 2.345 731 Q HA 0.843 5.188 4.340 0.008 0.000 0.268 731 Q C -1.167 174.807 176.000 -0.045 0.000 1.054 731 Q CA -1.313 54.446 55.803 -0.072 0.000 0.835 731 Q CB 2.594 31.338 28.738 0.010 0.000 1.339 731 Q HN 0.995 nan 8.270 nan 0.000 0.447 732 A N 1.637 124.406 122.820 -0.085 0.000 2.479 732 A HA 0.881 5.206 4.320 0.008 0.000 0.296 732 A C -1.413 176.117 177.584 -0.091 0.000 1.121 732 A CA -0.614 51.408 52.037 -0.026 0.000 0.743 732 A CB 2.097 21.146 19.000 0.083 0.000 1.323 732 A HN 0.640 nan 8.150 nan 0.000 0.415 733 M N 0.973 120.508 119.600 -0.109 0.000 2.284 733 M HA 0.564 5.049 4.480 0.008 0.000 0.281 733 M C -2.004 174.197 176.300 -0.165 0.000 1.083 733 M CA -0.637 54.462 55.300 -0.336 0.000 0.965 733 M CB 1.240 33.563 32.600 -0.461 0.000 1.717 733 M HN 0.925 nan 8.290 nan 0.000 0.479 734 W N 4.392 125.543 121.300 -0.248 0.000 2.578 734 W HA 0.789 5.452 4.660 0.006 0.000 0.346 734 W C -2.056 174.221 176.519 -0.405 0.000 1.075 734 W CA -0.874 56.415 57.345 -0.094 0.000 1.233 734 W CB 0.439 29.906 29.460 0.011 0.000 1.358 734 W HN 0.608 nan 8.180 nan 0.000 0.574 735 Y N 2.271 122.730 120.300 0.264 0.000 2.376 735 Y HA 0.305 4.861 4.550 0.009 0.000 0.326 735 Y C 0.486 176.515 175.900 0.216 0.000 0.970 735 Y CA -1.110 57.061 58.100 0.118 0.000 1.248 735 Y CB 1.382 39.876 38.460 0.057 0.000 1.117 735 Y HN 0.421 nan 8.280 nan 0.000 0.476 736 T N 4.640 119.376 114.554 0.303 0.000 2.822 736 T HA -0.030 4.324 4.350 0.008 0.000 0.288 736 T C 0.232 174.998 174.700 0.109 0.000 0.991 736 T CA 0.713 62.911 62.100 0.164 0.000 1.176 736 T CB -0.083 68.814 68.868 0.049 0.000 0.951 736 T HN 0.734 nan 8.240 nan 0.000 0.526 737 D N 0.329 120.765 120.400 0.060 0.000 2.978 737 D HA -0.129 4.516 4.640 0.008 0.000 0.205 737 D C 0.330 176.751 176.300 0.202 0.000 1.093 737 D CA 1.223 55.186 54.000 -0.060 0.000 1.006 737 D CB -0.445 40.100 40.800 -0.424 0.000 1.116 737 D HN 0.567 nan 8.370 nan 0.000 0.419 738 E N 1.253 121.596 120.200 0.239 0.000 2.366 738 E HA 0.280 4.635 4.350 0.008 0.000 0.266 738 E C 0.808 177.599 176.600 0.318 0.000 1.051 738 E CA 0.009 56.574 56.400 0.275 0.000 0.884 738 E CB 0.927 30.780 29.700 0.255 0.000 1.006 738 E HN 0.417 nan 8.360 nan 0.000 0.417 739 D N -0.179 120.424 120.400 0.338 0.000 2.541 739 D HA -0.006 4.638 4.640 0.008 0.000 0.276 739 D C 1.062 177.601 176.300 0.398 0.000 1.190 739 D CA -0.162 54.063 54.000 0.374 0.000 1.095 739 D CB -0.227 40.823 40.800 0.418 0.000 1.173 739 D HN 0.443 nan 8.370 nan 0.000 0.604 740 H N -1.668 117.601 119.070 0.332 0.000 2.491 740 H HA 0.139 4.699 4.556 0.008 0.000 0.290 740 H C 1.889 177.502 175.328 0.475 0.000 1.050 740 H CA 2.014 58.284 56.048 0.369 0.000 1.309 740 H CB -0.326 29.639 29.762 0.338 0.000 1.392 740 H HN 0.467 nan 8.280 nan 0.000 0.554 741 G N -0.176 108.822 108.800 0.329 0.000 2.623 741 G HA2 -0.001 3.964 3.960 0.008 0.000 0.214 741 G HA3 -0.001 3.964 3.960 0.008 0.000 0.214 741 G C 0.593 175.679 174.900 0.311 0.000 1.138 741 G CA 0.279 45.489 45.100 0.184 0.000 0.794 741 G HN 0.513 nan 8.290 nan 0.000 0.535 742 I N 0.133 120.912 120.570 0.349 0.000 6.347 742 I HA -0.317 3.857 4.170 0.008 0.000 0.126 742 I C 1.442 177.690 176.117 0.219 0.000 1.576 742 I CA 0.155 61.609 61.300 0.257 0.000 2.463 742 I CB -1.092 37.030 38.000 0.204 0.000 2.990 742 I HN 0.263 nan 8.210 nan 0.000 0.281 743 A N 1.116 124.040 122.820 0.173 0.000 2.431 743 A HA 0.297 4.622 4.320 0.008 0.000 0.239 743 A C 1.063 178.705 177.584 0.097 0.000 1.230 743 A CA 0.088 52.192 52.037 0.112 0.000 0.928 743 A CB 0.312 19.355 19.000 0.071 0.000 1.006 743 A HN 0.427 nan 8.150 nan 0.000 0.520 744 S N 0.642 116.415 115.700 0.122 0.000 2.558 744 S HA 0.062 4.537 4.470 0.008 0.000 0.293 744 S C 1.621 176.288 174.600 0.112 0.000 1.292 744 S CA 0.543 58.809 58.200 0.110 0.000 1.063 744 S CB 1.027 64.295 63.200 0.113 0.000 0.831 744 S HN 0.646 nan 8.310 nan 0.000 0.499 745 S N 3.192 118.943 115.700 0.085 0.000 2.368 745 S HA -0.222 4.253 4.470 0.008 0.000 0.226 745 S C 2.199 176.868 174.600 0.115 0.000 1.044 745 S CA 2.376 60.628 58.200 0.087 0.000 1.062 745 S CB -0.893 62.339 63.200 0.052 0.000 0.931 745 S HN 0.954 nan 8.310 nan 0.000 0.440 746 T N -0.319 114.292 114.554 0.094 0.000 2.812 746 T HA 0.207 4.562 4.350 0.008 0.000 0.264 746 T C 2.031 176.797 174.700 0.111 0.000 1.042 746 T CA 1.331 63.487 62.100 0.094 0.000 1.140 746 T CB -1.012 67.902 68.868 0.076 0.000 0.870 746 T HN 0.523 nan 8.240 nan 0.000 0.445 747 A N 1.625 124.497 122.820 0.086 0.000 1.898 747 A HA -0.090 4.235 4.320 0.008 0.000 0.216 747 A C 2.205 179.764 177.584 -0.041 0.000 1.181 747 A CA 2.047 54.078 52.037 -0.010 0.000 0.620 747 A CB -1.309 17.648 19.000 -0.072 0.000 0.819 747 A HN 0.774 nan 8.150 nan 0.000 0.442 748 H N -0.088 118.979 119.070 -0.004 0.000 2.319 748 H HA -0.180 4.381 4.556 0.008 0.000 0.297 748 H C 2.069 177.476 175.328 0.132 0.000 1.097 748 H CA 2.442 58.542 56.048 0.087 0.000 1.285 748 H CB -0.256 29.556 29.762 0.084 0.000 1.368 748 H HN 0.582 nan 8.280 nan 0.000 0.495 749 Q N -1.091 118.692 119.800 -0.028 0.000 2.119 749 Q HA -0.178 4.167 4.340 0.008 0.000 0.201 749 Q C 2.227 178.216 176.000 -0.018 0.000 0.972 749 Q CA 1.274 57.027 55.803 -0.083 0.000 0.847 749 Q CB -0.172 28.564 28.738 -0.004 0.000 0.903 749 Q HN 0.652 nan 8.270 nan 0.000 0.433 750 H N 0.658 119.709 119.070 -0.031 0.000 2.357 750 H HA -0.059 4.501 4.556 0.007 0.000 0.301 750 H C 2.025 177.368 175.328 0.026 0.000 1.082 750 H CA 1.215 57.283 56.048 0.034 0.000 1.342 750 H CB 0.039 29.879 29.762 0.129 0.000 1.389 750 H HN 0.273 nan 8.280 nan 0.000 0.511 751 I N 0.067 120.624 120.570 -0.022 0.000 2.202 751 I HA -0.323 3.852 4.170 0.008 0.000 0.242 751 I C 1.885 177.812 176.117 -0.316 0.000 1.091 751 I CA 1.216 62.424 61.300 -0.153 0.000 1.368 751 I CB -0.304 37.422 38.000 -0.456 0.000 1.058 751 I HN 0.155 nan 8.210 nan 0.000 0.410 752 Y N 1.039 121.142 120.300 -0.328 0.000 2.224 752 Y HA -0.268 4.288 4.550 0.009 0.000 0.289 752 Y C 2.724 178.440 175.900 -0.306 0.000 1.146 752 Y CA 2.138 59.941 58.100 -0.494 0.000 1.182 752 Y CB -0.775 37.406 38.460 -0.465 0.000 0.983 752 Y HN 0.191 nan 8.280 nan 0.000 0.524 753 T N -1.649 112.848 114.554 -0.096 0.000 2.708 753 T HA -0.272 4.083 4.350 0.008 0.000 0.266 753 T C 1.520 176.111 174.700 -0.181 0.000 1.037 753 T CA 1.959 63.960 62.100 -0.165 0.000 1.146 753 T CB -0.536 68.237 68.868 -0.158 0.000 0.865 753 T HN 0.437 nan 8.240 nan 0.000 0.435 754 H N 0.935 119.890 119.070 -0.192 0.000 2.321 754 H HA 0.118 4.678 4.556 0.007 0.000 0.300 754 H C 2.209 177.526 175.328 -0.018 0.000 1.087 754 H CA 1.483 57.490 56.048 -0.068 0.000 1.319 754 H CB -0.285 29.426 29.762 -0.085 0.000 1.379 754 H HN 0.230 nan 8.280 nan 0.000 0.501 755 M N -0.651 118.894 119.600 -0.092 0.000 2.159 755 M HA -0.170 4.315 4.480 0.008 0.000 0.263 755 M C 2.341 178.753 176.300 0.187 0.000 1.063 755 M CA 1.495 56.729 55.300 -0.108 0.000 1.110 755 M CB -0.073 32.183 32.600 -0.573 0.000 1.374 755 M HN 0.236 nan 8.290 nan 0.000 0.411 756 S N -0.575 115.253 115.700 0.213 0.000 2.368 756 S HA -0.155 4.320 4.470 0.008 0.000 0.224 756 S C 1.561 176.240 174.600 0.132 0.000 1.029 756 S CA 1.248 59.650 58.200 0.338 0.000 0.988 756 S CB -0.613 62.764 63.200 0.294 0.000 0.838 756 S HN 0.567 nan 8.310 nan 0.000 0.462 757 H N -0.424 118.709 119.070 0.104 0.000 2.353 757 H HA -0.061 4.500 4.556 0.008 0.000 0.300 757 H C 1.918 177.250 175.328 0.006 0.000 1.090 757 H CA 1.654 57.718 56.048 0.026 0.000 1.327 757 H CB -0.207 29.526 29.762 -0.047 0.000 1.383 757 H HN 0.376 nan 8.280 nan 0.000 0.508 758 F N 1.009 120.943 119.950 -0.027 0.000 2.102 758 F HA -0.203 4.328 4.527 0.007 0.000 0.298 758 F C 2.035 177.784 175.800 -0.084 0.000 1.105 758 F CA 1.026 58.981 58.000 -0.075 0.000 1.239 758 F CB -0.168 38.763 39.000 -0.115 0.000 0.991 758 F HN 0.035 nan 8.300 nan 0.000 0.474 759 I N 0.719 121.277 120.570 -0.021 0.000 2.179 759 I HA -0.274 3.901 4.170 0.008 0.000 0.242 759 I C 2.264 178.148 176.117 -0.389 0.000 1.088 759 I CA 1.510 62.616 61.300 -0.324 0.000 1.357 759 I CB -1.333 36.562 38.000 -0.175 0.000 1.051 759 I HN 0.212 nan 8.210 nan 0.000 0.409 760 K N 0.204 120.544 120.400 -0.100 0.000 2.063 760 K HA -0.244 4.081 4.320 0.008 0.000 0.208 760 K C 2.109 178.695 176.600 -0.022 0.000 1.048 760 K CA 1.397 57.689 56.287 0.008 0.000 0.928 760 K CB -0.184 32.376 32.500 0.100 0.000 0.713 760 K HN 0.365 nan 8.250 nan 0.000 0.442 761 Q N 0.544 120.290 119.800 -0.090 0.000 2.050 761 Q HA -0.214 4.131 4.340 0.008 0.000 0.202 761 Q C 2.351 178.249 176.000 -0.169 0.000 0.980 761 Q CA 1.730 57.465 55.803 -0.113 0.000 0.840 761 Q CB -0.236 28.422 28.738 -0.133 0.000 0.898 761 Q HN 0.450 nan 8.270 nan 0.000 0.424 762 c N 0.114 118.494 118.600 -0.367 0.000 2.411 762 c HA -0.126 4.448 4.570 0.008 0.000 0.279 762 c C 1.892 175.986 174.090 0.006 0.000 1.288 762 c CA 0.520 56.655 56.329 -0.324 0.000 1.764 762 c CB -1.204 40.946 42.510 -0.601 0.000 1.974 762 c HN 0.597 nan 8.230 nan 0.000 0.498 763 F N 1.475 121.386 119.950 -0.065 0.000 2.732 763 F HA 0.250 4.782 4.527 0.008 0.000 0.303 763 F C 1.698 177.486 175.800 -0.020 0.000 1.110 763 F CA 0.378 58.363 58.000 -0.025 0.000 1.355 763 F CB -1.217 37.777 39.000 -0.009 0.000 1.081 763 F HN 0.214 nan 8.300 nan 0.000 0.565 764 S N 0.585 116.369 115.700 0.140 0.000 3.521 764 S HA -0.215 4.260 4.470 0.008 0.000 0.328 764 S C 0.179 174.826 174.600 0.078 0.000 1.165 764 S CA 0.160 58.406 58.200 0.077 0.000 0.941 764 S CB -2.045 61.189 63.200 0.057 0.000 0.951 764 S HN 0.253 nan 8.310 nan 0.000 0.539 765 L N 2.305 123.591 121.223 0.105 0.000 2.260 765 L HA 0.371 4.716 4.340 0.008 0.000 0.289 765 L C -1.051 175.865 176.870 0.078 0.000 1.057 765 L CA -1.811 53.086 54.840 0.095 0.000 0.811 765 L CB 0.303 42.439 42.059 0.127 0.000 1.184 765 L HN 0.055 nan 8.230 nan 0.000 0.429 766 P HA 0.000 nan 4.420 nan 0.000 0.216 766 P CA 0.000 63.135 63.100 0.058 0.000 0.800 766 P CB 0.000 31.727 31.700 0.045 0.000 0.726