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 3ccc_1_D 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 0.000 176.675 176.600 0.125 0.000 0.988 41 K CA 0.000 56.353 56.287 0.110 0.000 0.838 41 K CB 0.000 32.573 32.500 0.122 0.000 1.064 42 T N -2.225 112.415 114.554 0.144 0.000 2.910 42 T HA 0.348 4.698 4.350 -0.000 0.000 0.287 42 T C -0.975 173.863 174.700 0.230 0.000 1.050 42 T CA -0.754 61.447 62.100 0.169 0.000 1.011 42 T CB 0.971 69.933 68.868 0.158 0.000 1.195 42 T HN 0.528 nan 8.240 nan 0.000 0.540 43 Y N 2.989 123.364 120.300 0.124 0.000 2.640 43 Y HA 0.349 4.899 4.550 -0.000 0.000 0.355 43 Y C 1.052 177.125 175.900 0.289 0.000 1.088 43 Y CA -0.275 57.938 58.100 0.187 0.000 1.443 43 Y CB -0.498 38.028 38.460 0.109 0.000 1.224 43 Y HN 0.965 nan 8.280 nan 0.000 0.516 44 T N 1.976 116.574 114.554 0.074 0.000 2.816 44 T HA 0.077 4.427 4.350 -0.000 0.000 0.282 44 T C 1.088 175.698 174.700 -0.149 0.000 0.993 44 T CA -0.712 61.457 62.100 0.115 0.000 0.994 44 T CB 1.155 70.046 68.868 0.038 0.000 1.025 44 T HN 0.671 nan 8.240 nan 0.000 0.529 45 L N 1.155 122.073 121.223 -0.508 0.000 2.083 45 L HA -0.015 4.325 4.340 -0.000 0.000 0.209 45 L C 2.656 179.354 176.870 -0.287 0.000 1.083 45 L CA 2.130 56.528 54.840 -0.737 0.000 0.752 45 L CB -1.414 40.094 42.059 -0.919 0.000 0.899 45 L HN 0.974 nan 8.230 nan 0.000 0.433 46 T N -1.020 113.406 114.554 -0.214 0.000 2.788 46 T HA -0.169 4.181 4.350 -0.000 0.000 0.268 46 T C 1.511 176.113 174.700 -0.163 0.000 1.044 46 T CA 1.388 63.398 62.100 -0.151 0.000 1.139 46 T CB -0.439 68.365 68.868 -0.106 0.000 0.867 46 T HN 0.376 nan 8.240 nan 0.000 0.454 47 D N 0.205 120.475 120.400 -0.216 0.000 2.144 47 D HA -0.085 4.554 4.640 -0.000 0.000 0.199 47 D C 1.723 177.895 176.300 -0.213 0.000 0.984 47 D CA 1.008 54.839 54.000 -0.282 0.000 0.834 47 D CB -0.309 40.212 40.800 -0.464 0.000 0.955 47 D HN 0.456 nan 8.370 nan 0.000 0.465 48 Y N 1.250 121.359 120.300 -0.318 0.000 2.263 48 Y HA -0.015 4.535 4.550 -0.000 0.000 0.292 48 Y C 2.080 177.969 175.900 -0.018 0.000 1.130 48 Y CA 0.976 59.047 58.100 -0.048 0.000 1.179 48 Y CB -0.362 38.143 38.460 0.075 0.000 0.998 48 Y HN -0.111 nan 8.280 nan 0.000 0.532 49 L N -0.361 120.704 121.223 -0.263 0.000 2.131 49 L HA -0.092 4.248 4.340 -0.000 0.000 0.206 49 L C 1.936 178.698 176.870 -0.180 0.000 1.087 49 L CA 1.219 55.883 54.840 -0.293 0.000 0.767 49 L CB -0.354 41.597 42.059 -0.181 0.000 0.917 49 L HN -0.050 nan 8.230 nan 0.000 0.441 50 K N 0.107 120.421 120.400 -0.142 0.000 2.393 50 K HA 0.073 4.393 4.320 -0.000 0.000 0.193 50 K C -0.018 176.524 176.600 -0.096 0.000 1.026 50 K CA 0.015 56.237 56.287 -0.108 0.000 1.064 50 K CB -0.108 32.329 32.500 -0.105 0.000 0.833 50 K HN 0.104 nan 8.250 nan 0.000 0.521 51 N N -0.350 118.301 118.700 -0.081 0.000 2.727 51 N HA -0.178 4.562 4.740 -0.000 0.000 0.251 51 N C -0.177 175.300 175.510 -0.054 0.000 1.040 51 N CA 0.818 53.855 53.050 -0.022 0.000 0.712 51 N CB -1.030 37.444 38.487 -0.021 0.000 0.912 51 N HN 0.130 nan 8.380 nan 0.000 0.545 52 T N -1.191 113.279 114.554 -0.140 0.000 2.904 52 T HA -0.114 4.236 4.350 -0.000 0.000 0.267 52 T C 0.218 174.672 174.700 -0.410 0.000 1.059 52 T CA 1.238 63.132 62.100 -0.343 0.000 1.137 52 T CB -0.046 68.485 68.868 -0.562 0.000 0.879 52 T HN 0.344 nan 8.240 nan 0.000 0.467 53 Y N 1.729 122.109 120.300 0.133 0.000 2.712 53 Y HA 0.486 5.036 4.550 -0.000 0.000 0.328 53 Y C 0.348 176.360 175.900 0.186 0.000 0.995 53 Y CA -1.266 56.946 58.100 0.187 0.000 1.283 53 Y CB 0.398 39.035 38.460 0.296 0.000 1.092 53 Y HN -0.169 nan 8.280 nan 0.000 0.519 54 R N 2.680 123.325 120.500 0.241 0.000 2.349 54 R HA 0.542 4.882 4.340 -0.000 0.000 0.299 54 R C -0.797 175.618 176.300 0.192 0.000 1.027 54 R CA -0.751 55.457 56.100 0.180 0.000 0.958 54 R CB 1.174 31.535 30.300 0.103 0.000 1.047 54 R HN 0.564 nan 8.270 nan 0.000 0.468 55 L N 3.684 125.019 121.223 0.187 0.000 2.326 55 L HA 0.293 4.633 4.340 -0.000 0.000 0.278 55 L C 0.184 177.143 176.870 0.147 0.000 1.092 55 L CA -0.130 54.825 54.840 0.192 0.000 0.810 55 L CB 0.738 42.926 42.059 0.215 0.000 1.153 55 L HN 0.367 nan 8.230 nan 0.000 0.439 56 K N 4.195 124.681 120.400 0.144 0.000 2.185 56 K HA 0.576 4.896 4.320 -0.000 0.000 0.269 56 K C -0.946 175.677 176.600 0.038 0.000 0.987 56 K CA -0.800 55.541 56.287 0.090 0.000 0.865 56 K CB 1.880 34.431 32.500 0.085 0.000 1.090 56 K HN 0.240 nan 8.250 nan 0.000 0.450 57 L N 1.428 122.610 121.223 -0.069 0.000 2.397 57 L HA 0.384 4.724 4.340 -0.000 0.000 0.266 57 L C -0.434 176.132 176.870 -0.506 0.000 1.040 57 L CA -0.579 54.059 54.840 -0.338 0.000 0.800 57 L CB 0.185 42.196 42.059 -0.079 0.000 1.324 57 L HN 0.501 nan 8.230 nan 0.000 0.469 58 Y N -0.325 119.418 120.300 -0.929 0.000 2.529 58 Y HA 0.272 4.822 4.550 -0.000 0.000 0.319 58 Y C 0.121 175.844 175.900 -0.296 0.000 1.063 58 Y CA -0.401 57.339 58.100 -0.599 0.000 1.178 58 Y CB 1.085 39.027 38.460 -0.864 0.000 1.123 58 Y HN 0.492 nan 8.280 nan 0.000 0.625 59 S N 4.182 119.863 115.700 -0.032 0.000 3.829 59 S HA 0.231 4.701 4.470 -0.000 0.000 0.250 59 S C -0.291 174.299 174.600 -0.016 0.000 1.263 59 S CA -0.575 57.635 58.200 0.016 0.000 0.955 59 S CB -1.487 61.731 63.200 0.030 0.000 1.611 59 S HN 0.492 nan 8.310 nan 0.000 0.483 60 L N 3.024 124.171 121.223 -0.127 0.000 2.380 60 L HA 0.592 4.932 4.340 -0.000 0.000 0.273 60 L C 0.218 176.908 176.870 -0.299 0.000 1.138 60 L CA -0.051 54.595 54.840 -0.324 0.000 0.832 60 L CB 0.250 41.731 42.059 -0.964 0.000 1.124 60 L HN 0.263 nan 8.230 nan 0.000 0.454 61 R N 2.824 123.224 120.500 -0.167 0.000 2.371 61 R HA 0.300 4.640 4.340 -0.000 0.000 0.312 61 R C -1.589 174.731 176.300 0.033 0.000 0.980 61 R CA -0.404 55.675 56.100 -0.034 0.000 0.867 61 R CB 0.702 31.032 30.300 0.051 0.000 1.163 61 R HN 0.676 nan 8.270 nan 0.000 0.492 62 W N 4.183 125.596 121.300 0.188 0.000 2.565 62 W HA 0.057 4.716 4.660 -0.000 0.000 0.325 62 W C 1.177 177.796 176.519 0.166 0.000 1.408 62 W CA -0.607 56.862 57.345 0.208 0.000 1.350 62 W CB 0.247 29.823 29.460 0.192 0.000 1.426 62 W HN 0.515 nan 8.180 nan 0.000 0.538 63 I N 1.797 122.586 120.570 0.365 0.000 2.429 63 I HA -0.059 4.111 4.170 -0.000 0.000 0.247 63 I C 1.479 177.737 176.117 0.235 0.000 1.099 63 I CA 0.862 62.296 61.300 0.225 0.000 1.422 63 I CB -1.511 36.557 38.000 0.113 0.000 1.112 63 I HN 0.353 nan 8.210 nan 0.000 0.430 64 S N -0.051 115.829 115.700 0.301 0.000 2.806 64 S HA 0.302 4.772 4.470 -0.000 0.000 0.315 64 S C 0.213 174.989 174.600 0.293 0.000 1.127 64 S CA -0.479 57.886 58.200 0.274 0.000 0.918 64 S CB 2.130 65.494 63.200 0.273 0.000 1.240 64 S HN 0.115 nan 8.310 nan 0.000 0.552 65 D N -1.250 119.251 120.400 0.168 0.000 2.319 65 D HA 0.178 4.818 4.640 -0.000 0.000 0.230 65 D C 0.819 177.020 176.300 -0.165 0.000 1.094 65 D CA 0.561 54.519 54.000 -0.070 0.000 0.856 65 D CB -0.017 40.675 40.800 -0.181 0.000 0.915 65 D HN 0.603 nan 8.370 nan 0.000 0.517 66 H N -1.741 117.542 119.070 0.355 0.000 3.329 66 H HA 0.275 4.831 4.556 -0.000 0.000 0.234 66 H C 0.069 175.533 175.328 0.227 0.000 0.957 66 H CA 0.015 56.252 56.048 0.316 0.000 1.066 66 H CB 0.788 30.709 29.762 0.265 0.000 1.435 66 H HN 0.055 nan 8.280 nan 0.000 0.513 67 E N 0.550 121.006 120.200 0.426 0.000 2.339 67 E HA 0.432 4.782 4.350 -0.000 0.000 0.262 67 E C -1.042 175.778 176.600 0.368 0.000 0.934 67 E CA -0.822 55.736 56.400 0.263 0.000 0.802 67 E CB 2.299 32.059 29.700 0.100 0.000 1.275 67 E HN 0.164 nan 8.360 nan 0.000 0.427 68 Y N -1.579 118.770 120.300 0.080 0.000 2.900 68 Y HA 0.747 5.297 4.550 -0.000 0.000 0.318 68 Y C -1.715 174.191 175.900 0.009 0.000 1.457 68 Y CA -1.314 56.733 58.100 -0.089 0.000 1.082 68 Y CB 0.851 38.922 38.460 -0.648 0.000 1.419 68 Y HN 0.381 nan 8.280 nan 0.000 0.459 69 L N 0.993 122.430 121.223 0.357 0.000 2.333 69 L HA 0.639 4.979 4.340 -0.000 0.000 0.263 69 L C -1.689 175.445 176.870 0.439 0.000 1.014 69 L CA -1.055 53.977 54.840 0.320 0.000 0.820 69 L CB 2.656 44.849 42.059 0.224 0.000 1.352 69 L HN 0.792 nan 8.230 nan 0.000 0.421 70 Y N 1.063 121.478 120.300 0.192 0.000 2.592 70 Y HA 0.358 4.908 4.550 -0.000 0.000 0.334 70 Y C -0.959 174.947 175.900 0.009 0.000 1.136 70 Y CA -1.438 56.650 58.100 -0.020 0.000 1.042 70 Y CB 1.604 39.882 38.460 -0.303 0.000 1.325 70 Y HN 0.453 nan 8.280 nan 0.000 0.457 71 K N 4.056 123.838 120.400 -1.029 0.000 2.349 71 K HA 0.357 4.677 4.320 -0.000 0.000 0.288 71 K C -0.880 175.306 176.600 -0.691 0.000 1.058 71 K CA 0.104 55.960 56.287 -0.719 0.000 0.953 71 K CB 0.507 32.657 32.500 -0.583 0.000 0.997 71 K HN 0.624 nan 8.250 nan 0.000 0.477 76 I N 1.718 122.238 120.570 -0.083 0.000 2.307 76 I HA 0.378 4.548 4.170 -0.000 0.000 0.289 76 I C -0.644 175.491 176.117 0.030 0.000 1.021 76 I CA -0.512 60.758 61.300 -0.050 0.000 1.224 76 I CB 0.651 38.568 38.000 -0.140 0.000 1.376 76 I HN 0.193 nan 8.210 nan 0.000 0.470 77 L N 7.104 128.373 121.223 0.076 0.000 2.346 77 L HA 0.508 4.848 4.340 -0.000 0.000 0.276 77 L C -0.127 176.779 176.870 0.060 0.000 1.006 77 L CA -0.624 54.246 54.840 0.050 0.000 0.817 77 L CB 2.003 44.069 42.059 0.012 0.000 1.272 77 L HN 0.230 nan 8.230 nan 0.000 0.421 78 V N 3.058 122.923 119.914 -0.081 0.000 2.546 78 V HA 0.373 4.493 4.120 -0.000 0.000 0.284 78 V C -0.447 175.436 176.094 -0.351 0.000 1.050 78 V CA -0.187 62.027 62.300 -0.144 0.000 0.981 78 V CB 0.961 32.689 31.823 -0.158 0.000 0.990 78 V HN 0.396 nan 8.190 nan 0.000 0.474 79 F N 2.430 122.122 119.950 -0.431 0.000 2.551 79 F HA 0.432 4.959 4.527 -0.000 0.000 0.316 79 F C 0.256 175.779 175.800 -0.462 0.000 1.089 79 F CA -0.645 57.047 58.000 -0.514 0.000 0.915 79 F CB 1.784 40.256 39.000 -0.880 0.000 1.186 79 F HN 0.428 nan 8.300 nan 0.000 0.456 80 N N 0.928 119.587 118.700 -0.069 0.000 2.479 80 N HA 0.522 5.262 4.740 -0.000 0.000 0.285 80 N C 0.415 175.939 175.510 0.022 0.000 1.075 80 N CA 0.028 53.072 53.050 -0.010 0.000 0.967 80 N CB 1.542 40.053 38.487 0.041 0.000 1.137 80 N HN 0.743 nan 8.380 nan 0.000 0.472 81 A N 2.531 125.321 122.820 -0.049 0.000 1.855 81 A HA -0.088 4.232 4.320 -0.000 0.000 0.213 81 A C 1.903 179.374 177.584 -0.188 0.000 1.195 81 A CA 1.131 53.051 52.037 -0.195 0.000 0.610 81 A CB -0.778 17.786 19.000 -0.727 0.000 0.837 81 A HN 0.829 nan 8.150 nan 0.000 0.444 82 E N -0.848 119.258 120.200 -0.156 0.000 2.033 82 E HA -0.230 4.120 4.350 -0.000 0.000 0.199 82 E C 1.687 178.343 176.600 0.093 0.000 1.011 82 E CA 2.139 58.623 56.400 0.140 0.000 0.815 82 E CB -0.503 29.373 29.700 0.293 0.000 0.755 82 E HN 0.655 nan 8.360 nan 0.000 0.451 83 Y N -1.583 118.738 120.300 0.035 0.000 2.163 83 Y HA 0.192 4.742 4.550 -0.000 0.000 0.288 83 Y C 1.891 177.812 175.900 0.034 0.000 1.112 83 Y CA 1.667 59.786 58.100 0.032 0.000 1.104 83 Y CB 0.206 38.677 38.460 0.019 0.000 1.016 83 Y HN 0.300 nan 8.280 nan 0.000 0.497 84 G N -0.046 108.885 108.800 0.219 0.000 2.168 84 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.197 84 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.197 84 G C -0.382 174.643 174.900 0.209 0.000 0.997 84 G CA -0.082 45.137 45.100 0.198 0.000 0.658 84 G HN 0.502 nan 8.290 nan 0.000 0.513 85 N N 0.621 119.393 118.700 0.121 0.000 2.530 85 N HA 0.379 5.119 4.740 -0.000 0.000 0.273 85 N C 0.049 175.435 175.510 -0.208 0.000 1.173 85 N CA 0.139 53.189 53.050 -0.000 0.000 0.967 85 N CB 1.148 39.619 38.487 -0.027 0.000 1.109 85 N HN 0.038 nan 8.380 nan 0.000 0.453 86 S N 0.673 116.181 115.700 -0.320 0.000 2.564 86 S HA 0.114 4.584 4.470 -0.000 0.000 0.278 86 S C 0.121 174.492 174.600 -0.382 0.000 1.333 86 S CA -0.436 57.388 58.200 -0.626 0.000 1.048 86 S CB 0.693 63.616 63.200 -0.462 0.000 0.900 86 S HN 0.682 nan 8.310 nan 0.000 0.505 87 S N 2.768 118.231 115.700 -0.395 0.000 2.356 87 S HA 0.236 4.706 4.470 -0.000 0.000 0.171 87 S C -0.565 173.962 174.600 -0.122 0.000 1.399 87 S CA -0.641 57.439 58.200 -0.201 0.000 1.225 87 S CB -0.053 63.055 63.200 -0.152 0.000 1.271 87 S HN 0.474 nan 8.310 nan 0.000 0.427 88 V N 5.244 125.093 119.914 -0.109 0.000 2.583 88 V HA 0.021 4.141 4.120 -0.000 0.000 0.302 88 V C 0.826 176.930 176.094 0.017 0.000 1.033 88 V CA 1.100 63.367 62.300 -0.056 0.000 1.194 88 V CB -0.277 31.500 31.823 -0.077 0.000 0.879 88 V HN 0.890 nan 8.190 nan 0.000 0.482 89 F N 4.888 124.768 119.950 -0.117 0.000 2.557 89 F HA 0.548 5.075 4.527 -0.000 0.000 0.278 89 F C 0.301 176.031 175.800 -0.116 0.000 1.051 89 F CA 0.114 58.053 58.000 -0.102 0.000 1.357 89 F CB 0.756 39.708 39.000 -0.079 0.000 1.104 89 F HN 0.394 nan 8.300 nan 0.000 0.654 90 L N 0.353 121.552 121.223 -0.040 0.000 2.518 90 L HA 0.401 4.741 4.340 -0.000 0.000 0.257 90 L C -1.352 175.431 176.870 -0.146 0.000 0.980 90 L CA -0.326 54.412 54.840 -0.170 0.000 0.837 90 L CB 2.215 44.208 42.059 -0.111 0.000 1.410 90 L HN -0.005 nan 8.230 nan 0.000 0.410 91 E N -0.076 120.006 120.200 -0.196 0.000 2.339 91 E HA 0.313 4.663 4.350 -0.000 0.000 0.262 91 E C -0.322 176.189 176.600 -0.147 0.000 0.934 91 E CA -0.393 55.914 56.400 -0.155 0.000 0.802 91 E CB 1.361 30.974 29.700 -0.146 0.000 1.275 91 E HN 0.673 nan 8.360 nan 0.000 0.427 92 N N -0.796 117.845 118.700 -0.099 0.000 2.521 92 N HA -0.112 4.628 4.740 -0.000 0.000 0.188 92 N C 0.941 176.415 175.510 -0.060 0.000 1.146 92 N CA 0.645 53.663 53.050 -0.054 0.000 0.893 92 N CB 0.197 38.662 38.487 -0.037 0.000 0.975 92 N HN 0.247 nan 8.380 nan 0.000 0.451 93 S N -1.807 113.826 115.700 -0.112 0.000 2.524 93 S HA 0.028 4.498 4.470 -0.000 0.000 0.216 93 S C 1.526 176.006 174.600 -0.199 0.000 0.987 93 S CA 0.144 58.273 58.200 -0.118 0.000 0.909 93 S CB -0.299 62.838 63.200 -0.106 0.000 0.781 93 S HN 0.223 nan 8.310 nan 0.000 0.521 94 T N 1.437 115.785 114.554 -0.343 0.000 2.915 94 T HA 0.147 4.497 4.350 -0.000 0.000 0.269 94 T C 0.073 174.282 174.700 -0.818 0.000 1.071 94 T CA 0.905 62.626 62.100 -0.631 0.000 1.132 94 T CB -0.379 67.938 68.868 -0.919 0.000 0.878 94 T HN 0.514 nan 8.240 nan 0.000 0.479 95 F N 0.774 120.598 119.950 -0.209 0.000 2.908 95 F HA 0.387 4.914 4.527 -0.000 0.000 0.328 95 F C 0.933 176.714 175.800 -0.031 0.000 1.211 95 F CA -1.396 56.512 58.000 -0.153 0.000 1.291 95 F CB 0.107 38.911 39.000 -0.327 0.000 0.962 95 F HN -0.039 nan 8.300 nan 0.000 0.505 96 D N 0.477 120.907 120.400 0.050 0.000 2.363 96 D HA -0.044 4.596 4.640 -0.000 0.000 0.220 96 D C 1.574 177.909 176.300 0.057 0.000 0.994 96 D CA 1.076 55.100 54.000 0.040 0.000 0.890 96 D CB 0.303 41.093 40.800 -0.017 0.000 0.906 96 D HN 0.401 nan 8.370 nan 0.000 0.530 97 E N -1.408 118.847 120.200 0.091 0.000 2.460 97 E HA 0.043 4.393 4.350 -0.000 0.000 0.200 97 E C 1.206 177.880 176.600 0.123 0.000 1.011 97 E CA -0.318 56.130 56.400 0.079 0.000 0.912 97 E CB 0.086 29.823 29.700 0.061 0.000 0.953 97 E HN 0.265 nan 8.360 nan 0.000 0.494 98 F N 1.117 121.093 119.950 0.042 0.000 2.192 98 F HA -0.238 4.289 4.527 -0.000 0.000 0.301 98 F C 1.797 177.559 175.800 -0.064 0.000 1.079 98 F CA 1.795 59.805 58.000 0.016 0.000 1.303 98 F CB 0.081 39.096 39.000 0.025 0.000 1.024 98 F HN 0.185 nan 8.300 nan 0.000 0.494 99 G N -1.301 107.483 108.800 -0.026 0.000 3.757 99 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.215 99 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.215 99 G C 0.366 175.149 174.900 -0.195 0.000 1.411 99 G CA 0.169 45.151 45.100 -0.197 0.000 0.896 99 G HN 0.434 nan 8.290 nan 0.000 0.581 100 H N 1.492 120.481 119.070 -0.135 0.000 2.690 100 H HA 0.483 5.039 4.556 -0.000 0.000 0.365 100 H C 0.398 175.800 175.328 0.124 0.000 1.142 100 H CA 0.654 56.691 56.048 -0.017 0.000 1.417 100 H CB 0.852 30.533 29.762 -0.136 0.000 1.446 100 H HN 0.312 nan 8.280 nan 0.000 0.599 101 S N 2.997 118.847 115.700 0.251 0.000 2.510 101 S HA 0.046 4.516 4.470 -0.000 0.000 0.279 101 S C 1.003 175.713 174.600 0.182 0.000 1.284 101 S CA -0.728 57.574 58.200 0.171 0.000 1.059 101 S CB -0.103 63.169 63.200 0.120 0.000 0.901 101 S HN 0.381 nan 8.310 nan 0.000 0.491 102 I N 2.428 123.062 120.570 0.105 0.000 2.347 102 I HA 0.275 4.445 4.170 -0.000 0.000 0.294 102 I C 0.661 176.799 176.117 0.035 0.000 1.090 102 I CA 0.014 61.340 61.300 0.044 0.000 1.314 102 I CB -0.340 37.636 38.000 -0.040 0.000 1.423 102 I HN 0.537 nan 8.210 nan 0.000 0.503 103 N N 4.632 123.356 118.700 0.040 0.000 2.336 103 N HA -0.008 4.732 4.740 -0.000 0.000 0.177 103 N C -0.144 175.350 175.510 -0.027 0.000 1.018 103 N CA 0.803 53.836 53.050 -0.028 0.000 0.878 103 N CB 0.432 38.884 38.487 -0.058 0.000 0.997 103 N HN 0.853 nan 8.380 nan 0.000 0.433 104 D N -2.587 117.841 120.400 0.046 0.000 2.755 104 D HA 0.182 4.822 4.640 -0.000 0.000 0.277 104 D C -1.878 174.540 176.300 0.197 0.000 1.261 104 D CA -0.549 53.506 54.000 0.093 0.000 0.759 104 D CB 0.516 41.322 40.800 0.011 0.000 1.279 104 D HN 0.066 nan 8.370 nan 0.000 0.420 105 Y N -1.020 119.317 120.300 0.061 0.000 2.504 105 Y HA 0.774 5.324 4.550 -0.000 0.000 0.344 105 Y C -1.136 174.862 175.900 0.164 0.000 1.023 105 Y CA -1.003 57.154 58.100 0.095 0.000 1.020 105 Y CB 1.714 40.211 38.460 0.062 0.000 1.282 105 Y HN 0.149 nan 8.280 nan 0.000 0.454 106 S N 3.795 119.670 115.700 0.292 0.000 2.500 106 S HA 0.707 5.177 4.470 -0.000 0.000 0.301 106 S C -1.283 173.634 174.600 0.529 0.000 1.092 106 S CA -0.701 57.700 58.200 0.336 0.000 1.030 106 S CB 0.540 63.936 63.200 0.326 0.000 1.031 106 S HN 0.598 nan 8.310 nan 0.000 0.483 107 I N 4.501 125.255 120.570 0.306 0.000 2.331 107 I HA 0.249 4.419 4.170 -0.000 0.000 0.292 107 I C 0.711 176.578 176.117 -0.418 0.000 0.998 107 I CA -0.394 60.940 61.300 0.057 0.000 1.267 107 I CB 1.289 39.331 38.000 0.071 0.000 1.386 107 I HN 0.795 nan 8.210 nan 0.000 0.476 108 S N 7.199 122.261 115.700 -1.062 0.000 2.443 108 S HA 0.223 4.693 4.470 -0.000 0.000 0.284 108 S C -1.906 172.412 174.600 -0.469 0.000 1.206 108 S CA -0.964 56.437 58.200 -1.332 0.000 1.074 108 S CB 0.562 62.827 63.200 -1.558 0.000 0.963 108 S HN 0.406 nan 8.310 nan 0.000 0.501 109 P HA -0.086 nan 4.420 nan 0.000 0.234 109 P C 0.922 178.180 177.300 -0.070 0.000 1.162 109 P CA 0.816 63.858 63.100 -0.098 0.000 0.759 109 P CB -0.044 31.637 31.700 -0.032 0.000 0.813 110 D N -0.704 119.639 120.400 -0.094 0.000 2.249 110 D HA -0.016 4.624 4.640 -0.000 0.000 0.205 110 D C 1.253 177.539 176.300 -0.023 0.000 0.962 110 D CA 1.103 55.090 54.000 -0.022 0.000 0.860 110 D CB -0.767 40.064 40.800 0.052 0.000 0.955 110 D HN 0.132 nan 8.370 nan 0.000 0.505 111 G N 1.356 110.113 108.800 -0.072 0.000 2.303 111 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.260 111 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.260 111 G C 0.322 175.185 174.900 -0.062 0.000 1.106 111 G CA 0.520 45.582 45.100 -0.064 0.000 0.900 111 G HN 0.529 nan 8.290 nan 0.000 0.495 112 Q N -1.641 118.078 119.800 -0.135 0.000 2.279 112 Q HA 0.448 4.788 4.340 -0.000 0.000 0.261 112 Q C -0.222 175.411 176.000 -0.611 0.000 0.796 112 Q CA 0.045 55.629 55.803 -0.365 0.000 0.971 112 Q CB 0.756 29.209 28.738 -0.476 0.000 1.179 112 Q HN 0.433 nan 8.270 nan 0.000 0.505 113 F N 0.970 120.836 119.950 -0.141 0.000 2.477 113 F HA 0.461 4.988 4.527 -0.000 0.000 0.335 113 F C -0.405 175.429 175.800 0.057 0.000 1.130 113 F CA -0.830 57.154 58.000 -0.027 0.000 0.948 113 F CB 1.596 40.591 39.000 -0.009 0.000 1.154 113 F HN -0.020 nan 8.300 nan 0.000 0.439 114 I N 4.366 125.182 120.570 0.409 0.000 2.385 114 I HA 0.424 4.593 4.170 -0.000 0.000 0.294 114 I C -1.237 175.199 176.117 0.533 0.000 0.988 114 I CA -0.996 60.569 61.300 0.441 0.000 1.265 114 I CB 1.197 39.427 38.000 0.383 0.000 1.388 114 I HN 0.477 nan 8.210 nan 0.000 0.480 115 L N 8.166 129.740 121.223 0.585 0.000 2.307 115 L HA 0.506 4.846 4.340 -0.000 0.000 0.282 115 L C -1.197 175.828 176.870 0.258 0.000 1.051 115 L CA -0.080 55.003 54.840 0.404 0.000 0.804 115 L CB 1.232 43.464 42.059 0.289 0.000 1.197 115 L HN 0.484 nan 8.230 nan 0.000 0.431 116 L N 4.445 125.770 121.223 0.170 0.000 2.322 116 L HA 0.520 4.860 4.340 -0.000 0.000 0.281 116 L C -0.347 176.635 176.870 0.186 0.000 1.014 116 L CA -0.386 54.479 54.840 0.041 0.000 0.815 116 L CB 1.744 43.613 42.059 -0.318 0.000 1.247 116 L HN 0.605 nan 8.230 nan 0.000 0.421 117 E N 3.267 123.534 120.200 0.111 0.000 2.129 117 E HA 0.418 4.768 4.350 -0.000 0.000 0.268 117 E C -1.679 174.951 176.600 0.050 0.000 0.900 117 E CA -0.558 55.806 56.400 -0.060 0.000 0.755 117 E CB 1.037 30.754 29.700 0.029 0.000 1.117 117 E HN 0.420 nan 8.360 nan 0.000 0.410 118 Y N 1.890 122.077 120.300 -0.188 0.000 2.638 118 Y HA 0.498 5.048 4.550 -0.000 0.000 0.339 118 Y C -0.017 175.808 175.900 -0.124 0.000 1.084 118 Y CA -1.654 56.402 58.100 -0.073 0.000 1.068 118 Y CB 0.655 39.138 38.460 0.040 0.000 1.294 118 Y HN 0.469 nan 8.280 nan 0.000 0.480 119 N N -0.670 117.996 118.700 -0.058 0.000 2.741 119 N HA -0.299 4.441 4.740 -0.000 0.000 0.250 119 N C -0.948 174.515 175.510 -0.078 0.000 1.115 119 N CA 0.971 53.945 53.050 -0.127 0.000 0.724 119 N CB -1.907 36.371 38.487 -0.349 0.000 1.090 119 N HN 0.887 nan 8.380 nan 0.000 0.558 120 Y N 0.437 120.666 120.300 -0.118 0.000 2.721 120 Y HA 0.223 4.773 4.550 -0.000 0.000 0.329 120 Y C 0.032 175.913 175.900 -0.031 0.000 1.211 120 Y CA 0.159 58.218 58.100 -0.069 0.000 1.512 120 Y CB 0.597 38.984 38.460 -0.122 0.000 1.249 120 Y HN -0.018 nan 8.280 nan 0.000 0.549 121 V N 8.123 127.739 119.914 -0.496 0.000 2.447 121 V HA 0.194 4.314 4.120 -0.000 0.000 0.292 121 V C -0.241 175.501 176.094 -0.586 0.000 1.021 121 V CA -1.450 60.599 62.300 -0.418 0.000 0.850 121 V CB 1.322 33.020 31.823 -0.207 0.000 1.005 121 V HN 0.745 nan 8.190 nan 0.000 0.426 122 K N 3.532 123.587 120.400 -0.576 0.000 2.436 122 K HA 0.193 4.513 4.320 -0.000 0.000 0.275 122 K C 0.391 176.825 176.600 -0.278 0.000 0.999 122 K CA 0.250 56.324 56.287 -0.356 0.000 0.980 122 K CB 1.136 33.589 32.500 -0.077 0.000 0.919 122 K HN 0.835 nan 8.250 nan 0.000 0.484 123 Q N 2.851 122.463 119.800 -0.313 0.000 2.471 123 Q HA 0.164 4.504 4.340 -0.000 0.000 0.207 123 Q C -0.091 175.675 176.000 -0.390 0.000 0.889 123 Q CA -0.367 55.066 55.803 -0.617 0.000 0.726 123 Q CB 0.157 28.348 28.738 -0.911 0.000 2.132 123 Q HN 0.711 nan 8.270 nan 0.000 0.531 124 W N 0.243 121.529 121.300 -0.024 0.000 2.240 124 W HA 0.388 5.048 4.660 -0.000 0.000 0.576 124 W C 1.727 178.218 176.519 -0.047 0.000 1.811 124 W CA -0.798 56.554 57.345 0.011 0.000 1.962 124 W CB -0.017 29.401 29.460 -0.069 0.000 2.620 124 W HN 0.319 nan 8.180 nan 0.000 0.753 125 R N -0.468 120.125 120.500 0.154 0.000 2.096 125 R HA -0.193 4.147 4.340 -0.000 0.000 0.240 125 R C 1.706 177.853 176.300 -0.255 0.000 1.139 125 R CA 2.089 58.107 56.100 -0.137 0.000 0.952 125 R CB -0.481 29.604 30.300 -0.358 0.000 0.854 125 R HN 0.519 nan 8.270 nan 0.000 0.436 126 H N -1.297 117.833 119.070 0.100 0.000 2.855 126 H HA 0.157 4.713 4.556 -0.000 0.000 0.259 126 H C 0.472 175.903 175.328 0.171 0.000 0.972 126 H CA 0.481 56.614 56.048 0.142 0.000 1.213 126 H CB 0.420 30.244 29.762 0.103 0.000 1.451 126 H HN 0.177 nan 8.280 nan 0.000 0.484 127 S N 1.275 117.011 115.700 0.060 0.000 2.565 127 S HA 0.412 4.881 4.470 -0.000 0.000 0.274 127 S C -0.363 174.117 174.600 -0.199 0.000 1.309 127 S CA -0.589 57.380 58.200 -0.385 0.000 1.043 127 S CB 0.770 63.224 63.200 -1.243 0.000 0.939 127 S HN 0.432 nan 8.310 nan 0.000 0.504 128 Y N -1.788 118.339 120.300 -0.289 0.000 2.689 128 Y HA 0.749 5.299 4.550 -0.000 0.000 0.333 128 Y C -0.842 174.997 175.900 -0.102 0.000 1.208 128 Y CA -1.114 56.824 58.100 -0.270 0.000 1.055 128 Y CB 1.102 39.374 38.460 -0.314 0.000 1.304 128 Y HN 0.589 nan 8.280 nan 0.000 0.455 129 T N 1.540 116.071 114.554 -0.039 0.000 2.824 129 T HA 0.867 5.217 4.350 -0.000 0.000 0.282 129 T C -1.051 173.659 174.700 0.016 0.000 0.993 129 T CA -0.032 62.056 62.100 -0.020 0.000 0.967 129 T CB 0.888 69.724 68.868 -0.053 0.000 0.960 129 T HN 1.145 nan 8.240 nan 0.000 0.441 130 A N 2.673 125.499 122.820 0.010 0.000 2.569 130 A HA 0.856 5.176 4.320 -0.000 0.000 0.290 130 A C -0.607 176.729 177.584 -0.413 0.000 1.136 130 A CA -0.681 51.230 52.037 -0.210 0.000 0.710 130 A CB 1.805 20.642 19.000 -0.271 0.000 1.303 130 A HN 0.666 nan 8.150 nan 0.000 0.413 131 S N -0.376 114.872 115.700 -0.755 0.000 2.509 131 S HA 0.738 5.208 4.470 -0.000 0.000 0.297 131 S C -1.400 172.540 174.600 -1.101 0.000 1.118 131 S CA -0.039 57.637 58.200 -0.873 0.000 1.074 131 S CB 0.447 62.986 63.200 -1.102 0.000 1.038 131 S HN 0.435 nan 8.310 nan 0.000 0.498 132 Y N 0.558 120.651 120.300 -0.345 0.000 2.602 132 Y HA 0.622 5.172 4.550 -0.000 0.000 0.342 132 Y C -0.104 175.883 175.900 0.146 0.000 1.029 132 Y CA -0.959 57.098 58.100 -0.072 0.000 1.080 132 Y CB 1.587 39.927 38.460 -0.199 0.000 1.284 132 Y HN 0.450 nan 8.280 nan 0.000 0.485 133 D N 0.960 121.582 120.400 0.370 0.000 2.927 133 D HA 0.434 5.074 4.640 -0.000 0.000 0.219 133 D C -1.516 174.915 176.300 0.219 0.000 1.248 133 D CA -0.423 53.752 54.000 0.292 0.000 0.861 133 D CB 2.378 43.442 40.800 0.440 0.000 1.677 133 D HN 0.331 nan 8.370 nan 0.000 0.511 134 I N 1.865 122.559 120.570 0.206 0.000 2.336 134 I HA 0.328 4.498 4.170 -0.000 0.000 0.292 134 I C -0.596 175.733 176.117 0.355 0.000 0.991 134 I CA -0.850 60.620 61.300 0.284 0.000 1.227 134 I CB 0.949 39.101 38.000 0.253 0.000 1.366 134 I HN 0.197 nan 8.210 nan 0.000 0.466 135 Y N 4.653 125.112 120.300 0.264 0.000 2.328 135 Y HA 0.455 5.005 4.550 -0.000 0.000 0.337 135 Y C -0.425 175.627 175.900 0.254 0.000 0.966 135 Y CA -0.770 57.489 58.100 0.266 0.000 1.136 135 Y CB 1.098 39.751 38.460 0.322 0.000 1.170 135 Y HN 0.619 nan 8.280 nan 0.000 0.470 136 D N 5.474 125.757 120.400 -0.196 0.000 2.295 136 D HA 0.153 4.793 4.640 -0.000 0.000 0.248 136 D C 0.263 176.304 176.300 -0.431 0.000 1.154 136 D CA 0.085 53.901 54.000 -0.305 0.000 0.857 136 D CB 0.986 41.641 40.800 -0.242 0.000 1.117 136 D HN 0.781 nan 8.370 nan 0.000 0.468 137 L N 3.417 124.492 121.223 -0.247 0.000 2.675 137 L HA 0.106 4.446 4.340 -0.000 0.000 0.239 137 L C 1.560 178.329 176.870 -0.170 0.000 1.151 137 L CA 0.093 54.875 54.840 -0.096 0.000 0.905 137 L CB -0.410 41.669 42.059 0.033 0.000 1.057 137 L HN 0.409 nan 8.230 nan 0.000 0.435 138 N N 0.616 119.165 118.700 -0.253 0.000 2.604 138 N HA -0.022 4.717 4.740 -0.000 0.000 0.234 138 N C 1.330 176.743 175.510 -0.162 0.000 1.064 138 N CA 0.152 53.085 53.050 -0.196 0.000 1.202 138 N CB 0.115 38.473 38.487 -0.215 0.000 1.575 138 N HN 0.245 nan 8.380 nan 0.000 0.619 139 K N 1.521 121.825 120.400 -0.161 0.000 2.574 139 K HA 0.050 4.370 4.320 -0.000 0.000 0.193 139 K C -0.298 176.215 176.600 -0.144 0.000 1.035 139 K CA 0.474 56.688 56.287 -0.122 0.000 0.982 139 K CB 0.179 32.626 32.500 -0.088 0.000 0.795 139 K HN 0.084 nan 8.250 nan 0.000 0.491 140 R N 1.617 121.984 120.500 -0.223 0.000 3.084 140 R HA -0.136 4.204 4.340 -0.000 0.000 0.258 140 R C -0.554 175.617 176.300 -0.214 0.000 0.914 140 R CA 1.348 57.304 56.100 -0.240 0.000 0.646 140 R CB -1.634 28.618 30.300 -0.080 0.000 1.330 140 R HN 0.890 nan 8.270 nan 0.000 0.465 141 Q N -0.573 118.958 119.800 -0.448 0.000 2.804 141 Q HA 0.246 4.586 4.340 -0.000 0.000 0.302 141 Q C -1.258 174.632 176.000 -0.184 0.000 0.885 141 Q CA -0.939 54.776 55.803 -0.146 0.000 0.759 141 Q CB 0.574 29.306 28.738 -0.008 0.000 1.465 141 Q HN 0.026 nan 8.270 nan 0.000 0.432 142 L N 1.390 122.736 121.223 0.205 0.000 2.490 142 L HA 0.238 4.578 4.340 -0.000 0.000 0.274 142 L C 0.753 177.697 176.870 0.122 0.000 1.201 142 L CA 0.494 55.499 54.840 0.276 0.000 0.869 142 L CB -0.211 42.044 42.059 0.328 0.000 1.123 142 L HN 0.530 nan 8.230 nan 0.000 0.484 143 I N 3.092 123.741 120.570 0.131 0.000 2.382 143 I HA -0.062 4.108 4.170 -0.000 0.000 0.297 143 I C 1.416 177.576 176.117 0.072 0.000 1.172 143 I CA 0.035 61.390 61.300 0.091 0.000 1.825 143 I CB -0.538 37.530 38.000 0.113 0.000 1.509 143 I HN 0.874 nan 8.210 nan 0.000 0.842 144 T N 0.411 115.000 114.554 0.059 0.000 2.897 144 T HA -0.156 4.194 4.350 -0.000 0.000 0.271 144 T C 0.850 175.560 174.700 0.017 0.000 1.084 144 T CA 0.699 62.823 62.100 0.040 0.000 1.123 144 T CB -0.230 68.657 68.868 0.031 0.000 0.865 144 T HN 0.582 nan 8.240 nan 0.000 0.496 145 E N 1.716 121.923 120.200 0.013 0.000 2.242 145 E HA 0.166 4.516 4.350 -0.000 0.000 0.275 145 E C -0.446 176.144 176.600 -0.016 0.000 1.002 145 E CA -0.593 55.805 56.400 -0.003 0.000 0.841 145 E CB 0.686 30.385 29.700 -0.000 0.000 1.109 145 E HN 0.344 nan 8.360 nan 0.000 0.394 146 E N 1.254 121.433 120.200 -0.035 0.000 2.222 146 E HA -0.239 4.111 4.350 -0.000 0.000 0.189 146 E C -0.590 175.966 176.600 -0.074 0.000 1.415 146 E CA 0.637 57.002 56.400 -0.058 0.000 0.689 146 E CB -1.394 28.274 29.700 -0.054 0.000 1.107 146 E HN 0.527 nan 8.360 nan 0.000 0.350 147 R N 0.023 120.473 120.500 -0.083 0.000 2.577 147 R HA 0.463 4.803 4.340 -0.000 0.000 0.269 147 R C 0.842 177.022 176.300 -0.200 0.000 1.084 147 R CA -0.739 55.303 56.100 -0.096 0.000 1.163 147 R CB 0.439 30.705 30.300 -0.056 0.000 1.100 147 R HN 0.080 nan 8.270 nan 0.000 0.547 148 I N 2.871 123.286 120.570 -0.259 0.000 2.529 148 I HA 0.154 4.324 4.170 -0.000 0.000 0.284 148 I C -1.765 174.079 176.117 -0.455 0.000 1.082 148 I CA -1.925 59.075 61.300 -0.501 0.000 1.406 148 I CB 0.175 37.792 38.000 -0.638 0.000 1.405 148 I HN 0.405 nan 8.210 nan 0.000 0.548 149 P HA 0.069 nan 4.420 nan 0.000 0.269 149 P C -0.697 176.370 177.300 -0.389 0.000 1.209 149 P CA -0.334 62.396 63.100 -0.616 0.000 0.776 149 P CB 0.384 31.345 31.700 -1.232 0.000 0.876 150 N N 1.852 120.403 118.700 -0.249 0.000 2.345 150 N HA -0.085 4.655 4.740 -0.000 0.000 0.243 150 N C 0.254 175.763 175.510 -0.002 0.000 1.246 150 N CA 0.697 53.662 53.050 -0.143 0.000 0.863 150 N CB -0.889 37.546 38.487 -0.086 0.000 1.096 150 N HN 0.444 nan 8.380 nan 0.000 0.446 151 N N -1.892 116.808 118.700 0.000 0.000 2.780 151 N HA -0.170 4.570 4.740 -0.000 0.000 0.247 151 N C -1.187 174.470 175.510 0.244 0.000 1.076 151 N CA 0.383 53.495 53.050 0.103 0.000 0.688 151 N CB -1.554 37.020 38.487 0.145 0.000 0.957 151 N HN 0.407 nan 8.380 nan 0.000 0.551 152 T N 0.430 115.095 114.554 0.186 0.000 2.817 152 T HA 0.156 4.506 4.350 -0.000 0.000 0.293 152 T C 1.364 176.195 174.700 0.219 0.000 0.964 152 T CA -0.228 62.021 62.100 0.248 0.000 1.085 152 T CB 1.557 70.492 68.868 0.112 0.000 0.921 152 T HN 0.184 nan 8.240 nan 0.000 0.502 153 Q N 1.698 121.633 119.800 0.224 0.000 2.331 153 Q HA 0.162 4.502 4.340 -0.000 0.000 0.203 153 Q C -0.036 176.147 176.000 0.305 0.000 0.944 153 Q CA 0.458 56.422 55.803 0.268 0.000 0.892 153 Q CB 0.677 29.558 28.738 0.240 0.000 0.983 153 Q HN 0.690 nan 8.270 nan 0.000 0.482 154 W N 0.018 121.290 121.300 -0.046 0.000 3.901 154 W HA 0.388 5.048 4.660 -0.000 0.000 0.274 154 W C -2.018 174.406 176.519 -0.157 0.000 1.278 154 W CA -0.892 56.379 57.345 -0.125 0.000 1.235 154 W CB 0.773 30.131 29.460 -0.169 0.000 1.261 154 W HN -0.260 nan 8.180 nan 0.000 0.546 155 V N 1.486 120.709 119.914 -1.152 0.000 3.001 155 V HA 0.974 5.094 4.120 -0.000 0.000 0.314 155 V C -0.950 174.427 176.094 -1.195 0.000 1.099 155 V CA -0.669 61.024 62.300 -1.012 0.000 0.989 155 V CB 1.550 32.662 31.823 -1.185 0.000 1.040 155 V HN 0.619 nan 8.190 nan 0.000 0.434 156 T N 1.947 116.169 114.554 -0.554 0.000 3.579 156 T HA 0.393 4.742 4.350 -0.000 0.000 0.360 156 T C -1.352 173.427 174.700 0.132 0.000 1.285 156 T CA -0.358 61.646 62.100 -0.160 0.000 1.127 156 T CB 0.568 69.577 68.868 0.236 0.000 1.244 156 T HN 0.809 nan 8.240 nan 0.000 0.476 157 W N 3.297 124.653 121.300 0.093 0.000 2.079 157 W HA 0.430 5.090 4.660 -0.000 0.000 0.354 157 W C 1.268 177.558 176.519 -0.382 0.000 1.302 157 W CA -0.532 56.788 57.345 -0.042 0.000 1.281 157 W CB 0.578 30.009 29.460 -0.049 0.000 1.165 157 W HN 0.778 nan 8.180 nan 0.000 0.603 158 S N 1.234 116.592 115.700 -0.571 0.000 2.585 158 S HA 0.158 4.628 4.470 -0.000 0.000 0.273 158 S C -1.858 172.434 174.600 -0.514 0.000 1.339 158 S CA -1.092 56.279 58.200 -1.382 0.000 1.028 158 S CB 1.103 63.542 63.200 -1.268 0.000 0.906 158 S HN 0.245 nan 8.310 nan 0.000 0.528 159 P HA -0.060 nan 4.420 nan 0.000 0.216 159 P C 0.432 177.676 177.300 -0.094 0.000 1.150 159 P CA 1.252 64.287 63.100 -0.107 0.000 0.843 159 P CB -0.204 31.468 31.700 -0.046 0.000 0.787 160 V N -7.130 112.696 119.914 -0.147 0.000 3.102 160 V HA 0.899 5.019 4.120 -0.000 0.000 0.312 160 V C 0.354 176.347 176.094 -0.167 0.000 1.135 160 V CA -0.423 61.808 62.300 -0.115 0.000 1.022 160 V CB 0.988 32.772 31.823 -0.064 0.000 1.056 160 V HN 0.450 nan 8.190 nan 0.000 0.436 161 G N 1.390 110.106 108.800 -0.140 0.000 2.542 161 G HA2 -0.105 3.855 3.960 -0.000 0.000 0.235 161 G HA3 -0.105 3.855 3.960 -0.000 0.000 0.235 161 G C -0.030 174.769 174.900 -0.168 0.000 1.286 161 G CA 0.371 45.351 45.100 -0.200 0.000 0.904 161 G HN 2.471 nan 8.290 nan 0.000 0.577 162 H N -0.532 118.508 119.070 -0.049 0.000 2.779 162 H HA 0.474 5.030 4.556 -0.000 0.000 0.230 162 H C 0.135 175.580 175.328 0.195 0.000 1.365 162 H CA -0.380 55.662 56.048 -0.011 0.000 1.086 162 H CB -0.060 29.709 29.762 0.010 0.000 2.038 162 H HN 0.457 nan 8.280 nan 0.000 0.558 163 K N 1.488 121.940 120.400 0.088 0.000 2.185 163 K HA 0.316 4.636 4.320 -0.000 0.000 0.271 163 K C -0.852 175.875 176.600 0.213 0.000 1.013 163 K CA -0.861 55.470 56.287 0.074 0.000 0.943 163 K CB 1.612 34.007 32.500 -0.175 0.000 0.998 163 K HN 0.082 nan 8.250 nan 0.000 0.468 164 L N 2.443 123.814 121.223 0.247 0.000 2.457 164 L HA 0.382 4.722 4.340 -0.000 0.000 0.266 164 L C -1.252 175.791 176.870 0.288 0.000 0.979 164 L CA -0.226 54.697 54.840 0.139 0.000 0.857 164 L CB 1.245 43.182 42.059 -0.203 0.000 1.213 164 L HN 0.709 nan 8.230 nan 0.000 0.418 165 A N 4.797 127.884 122.820 0.445 0.000 2.305 165 A HA 0.782 5.101 4.320 -0.000 0.000 0.322 165 A C -1.347 176.267 177.584 0.050 0.000 1.187 165 A CA -0.297 51.823 52.037 0.138 0.000 0.825 165 A CB 0.535 19.428 19.000 -0.178 0.000 1.164 165 A HN 0.775 nan 8.150 nan 0.000 0.498 166 Y N -0.622 119.619 120.300 -0.098 0.000 2.625 166 Y HA 0.719 5.269 4.550 -0.000 0.000 0.338 166 Y C -1.179 174.707 175.900 -0.024 0.000 1.123 166 Y CA -1.577 56.437 58.100 -0.142 0.000 1.046 166 Y CB 1.041 39.341 38.460 -0.267 0.000 1.299 166 Y HN 0.381 nan 8.280 nan 0.000 0.464 167 V N 1.875 121.902 119.914 0.188 0.000 2.448 167 V HA 0.369 4.489 4.120 -0.000 0.000 0.295 167 V C -1.368 174.908 176.094 0.302 0.000 1.025 167 V CA -0.605 61.783 62.300 0.147 0.000 0.859 167 V CB 1.125 32.972 31.823 0.039 0.000 0.988 167 V HN 0.872 nan 8.190 nan 0.000 0.431 168 W N 4.587 125.924 121.300 0.062 0.000 2.998 168 W HA 0.466 5.126 4.660 -0.000 0.000 0.335 168 W C 0.376 176.905 176.519 0.016 0.000 1.110 168 W CA -0.769 56.580 57.345 0.006 0.000 1.230 168 W CB 1.318 30.711 29.460 -0.112 0.000 1.405 168 W HN 0.776 nan 8.180 nan 0.000 0.493 169 N N 5.324 123.578 118.700 -0.744 0.000 2.710 169 N HA -0.380 4.360 4.740 -0.000 0.000 0.249 169 N C 0.298 175.609 175.510 -0.332 0.000 1.059 169 N CA 1.132 53.775 53.050 -0.679 0.000 0.720 169 N CB -1.004 36.866 38.487 -1.029 0.000 0.983 169 N HN 0.826 nan 8.380 nan 0.000 0.544 170 N N -2.377 116.205 118.700 -0.195 0.000 2.965 170 N HA -0.164 4.576 4.740 -0.000 0.000 0.232 170 N C -1.186 174.255 175.510 -0.114 0.000 0.913 170 N CA 1.168 54.134 53.050 -0.139 0.000 0.981 170 N CB -0.386 37.971 38.487 -0.216 0.000 1.077 170 N HN 0.396 nan 8.380 nan 0.000 0.589 171 D N 0.733 121.069 120.400 -0.106 0.000 2.228 171 D HA 0.479 5.119 4.640 -0.000 0.000 0.247 171 D C 0.206 176.435 176.300 -0.119 0.000 0.995 171 D CA -0.334 53.569 54.000 -0.162 0.000 0.903 171 D CB 1.531 42.187 40.800 -0.240 0.000 1.205 171 D HN 0.057 nan 8.370 nan 0.000 0.459 172 I N 1.643 122.007 120.570 -0.344 0.000 2.472 172 I HA 0.186 4.356 4.170 -0.000 0.000 0.290 172 I C -0.461 175.358 176.117 -0.497 0.000 1.016 172 I CA -0.200 60.870 61.300 -0.383 0.000 1.348 172 I CB 0.502 38.139 38.000 -0.605 0.000 1.417 172 I HN 0.187 nan 8.210 nan 0.000 0.521 173 Y N 3.736 123.664 120.300 -0.620 0.000 2.545 173 Y HA 0.658 5.208 4.550 -0.000 0.000 0.348 173 Y C -0.530 175.027 175.900 -0.572 0.000 1.002 173 Y CA -0.936 56.727 58.100 -0.727 0.000 1.039 173 Y CB 2.252 39.877 38.460 -1.391 0.000 1.271 173 Y HN 0.092 nan 8.280 nan 0.000 0.467 174 V N 2.709 122.538 119.914 -0.142 0.000 2.577 174 V HA 0.384 4.504 4.120 -0.000 0.000 0.303 174 V C -0.896 175.273 176.094 0.125 0.000 1.042 174 V CA -1.321 61.007 62.300 0.047 0.000 0.872 174 V CB 1.960 33.864 31.823 0.136 0.000 0.998 174 V HN 0.611 nan 8.190 nan 0.000 0.423 175 K N 4.699 125.196 120.400 0.160 0.000 2.404 175 K HA 0.445 4.765 4.320 -0.000 0.000 0.257 175 K C 0.554 177.237 176.600 0.139 0.000 1.026 175 K CA -0.629 55.725 56.287 0.111 0.000 0.951 175 K CB 1.371 33.920 32.500 0.082 0.000 1.203 175 K HN 0.474 nan 8.250 nan 0.000 0.446 176 I N 0.965 121.629 120.570 0.158 0.000 2.179 176 I HA -0.167 4.003 4.170 -0.000 0.000 0.242 176 I C 0.588 176.778 176.117 0.121 0.000 1.088 176 I CA 1.635 63.028 61.300 0.155 0.000 1.357 176 I CB -0.266 37.849 38.000 0.192 0.000 1.051 176 I HN 0.505 nan 8.210 nan 0.000 0.409 177 E N 0.327 120.573 120.200 0.076 0.000 2.199 177 E HA 0.263 4.612 4.350 -0.000 0.000 0.265 177 E C -1.919 174.623 176.600 -0.096 0.000 0.882 177 E CA -2.052 54.356 56.400 0.013 0.000 0.759 177 E CB 1.795 31.520 29.700 0.041 0.000 1.148 177 E HN -0.063 nan 8.360 nan 0.000 0.412 178 P HA -0.147 nan 4.420 nan 0.000 0.231 178 P C 0.434 177.661 177.300 -0.121 0.000 1.154 178 P CA 1.206 64.168 63.100 -0.230 0.000 0.762 178 P CB 0.148 31.584 31.700 -0.440 0.000 0.790 179 N N -2.622 116.022 118.700 -0.093 0.000 2.273 179 N HA 0.070 4.810 4.740 -0.000 0.000 0.192 179 N C 0.323 175.816 175.510 -0.028 0.000 1.132 179 N CA -0.051 52.982 53.050 -0.028 0.000 0.887 179 N CB -0.221 38.274 38.487 0.014 0.000 1.048 179 N HN 0.027 nan 8.380 nan 0.000 0.490 180 L N 0.570 121.770 121.223 -0.038 0.000 2.375 180 L HA 0.537 4.877 4.340 -0.000 0.000 0.268 180 L C -2.172 174.638 176.870 -0.100 0.000 1.058 180 L CA -2.397 52.414 54.840 -0.049 0.000 0.803 180 L CB 1.015 43.059 42.059 -0.025 0.000 1.212 180 L HN -0.130 nan 8.230 nan 0.000 0.451 181 P HA 0.035 nan 4.420 nan 0.000 0.267 181 P C -0.797 176.285 177.300 -0.363 0.000 1.200 181 P CA 0.050 63.033 63.100 -0.195 0.000 0.772 181 P CB 0.557 32.148 31.700 -0.181 0.000 0.855 182 S N 1.131 116.687 115.700 -0.240 0.000 2.624 182 S HA 0.358 4.827 4.470 -0.000 0.000 0.263 182 S C -0.597 173.761 174.600 -0.403 0.000 1.287 182 S CA 0.013 58.081 58.200 -0.221 0.000 0.990 182 S CB 0.007 63.272 63.200 0.109 0.000 0.950 182 S HN 0.272 nan 8.310 nan 0.000 0.561 183 Y N 0.320 120.611 120.300 -0.015 0.000 2.326 183 Y HA 0.413 4.963 4.550 -0.000 0.000 0.329 183 Y C 0.263 176.003 175.900 -0.267 0.000 0.973 183 Y CA -0.770 57.285 58.100 -0.075 0.000 1.162 183 Y CB 0.843 39.282 38.460 -0.035 0.000 1.147 183 Y HN 0.495 nan 8.280 nan 0.000 0.456 184 R N 3.169 123.512 120.500 -0.262 0.000 2.345 184 R HA 0.212 4.552 4.340 -0.000 0.000 0.331 184 R C 0.104 176.122 176.300 -0.471 0.000 1.067 184 R CA 0.180 55.822 56.100 -0.764 0.000 0.962 184 R CB 0.113 29.742 30.300 -1.117 0.000 0.987 184 R HN 0.854 nan 8.270 nan 0.000 0.451 185 I N 2.362 122.633 120.570 -0.499 0.000 2.500 185 I HA -0.117 4.053 4.170 -0.000 0.000 0.252 185 I C 0.747 176.685 176.117 -0.298 0.000 1.142 185 I CA 1.119 62.238 61.300 -0.302 0.000 1.451 185 I CB 0.016 37.816 38.000 -0.333 0.000 1.093 185 I HN 0.633 nan 8.210 nan 0.000 0.430 186 T N -4.316 109.920 114.554 -0.530 0.000 2.906 186 T HA 0.365 4.715 4.350 -0.000 0.000 0.295 186 T C -0.626 173.721 174.700 -0.589 0.000 1.075 186 T CA -0.625 61.246 62.100 -0.382 0.000 1.005 186 T CB 1.445 70.096 68.868 -0.361 0.000 1.136 186 T HN 0.155 nan 8.240 nan 0.000 0.498 187 W N -0.417 120.794 121.300 -0.149 0.000 2.079 187 W HA 0.206 4.865 4.660 -0.000 0.000 0.285 187 W C 1.972 178.445 176.519 -0.077 0.000 0.891 187 W CA -0.056 57.228 57.345 -0.102 0.000 1.308 187 W CB 0.189 29.602 29.460 -0.080 0.000 1.047 187 W HN 0.902 nan 8.180 nan 0.000 0.522 188 T N -2.614 111.987 114.554 0.079 0.000 3.057 188 T HA 0.214 4.564 4.350 -0.000 0.000 0.254 188 T C 1.368 176.070 174.700 0.003 0.000 1.094 188 T CA 0.476 62.607 62.100 0.052 0.000 1.088 188 T CB -0.321 68.579 68.868 0.054 0.000 0.934 188 T HN 0.010 nan 8.240 nan 0.000 0.497 189 G N 1.993 110.764 108.800 -0.048 0.000 2.248 189 G HA2 0.347 4.307 3.960 -0.000 0.000 0.260 189 G HA3 0.347 4.307 3.960 -0.000 0.000 0.260 189 G C -0.370 174.461 174.900 -0.115 0.000 1.214 189 G CA -0.292 44.754 45.100 -0.091 0.000 0.979 189 G HN 0.186 nan 8.290 nan 0.000 0.454 190 K N 2.053 122.375 120.400 -0.129 0.000 2.345 190 K HA 0.179 4.499 4.320 -0.000 0.000 0.255 190 K C 0.003 176.471 176.600 -0.220 0.000 0.934 190 K CA -0.689 55.514 56.287 -0.141 0.000 0.801 190 K CB 1.982 34.435 32.500 -0.079 0.000 1.137 190 K HN 0.691 nan 8.250 nan 0.000 0.424 191 E N 2.669 122.741 120.200 -0.213 0.000 2.558 191 E HA -0.132 4.218 4.350 -0.000 0.000 0.255 191 E C -0.551 175.939 176.600 -0.184 0.000 0.968 191 E CA 1.054 57.317 56.400 -0.229 0.000 0.939 191 E CB 0.317 29.917 29.700 -0.168 0.000 0.921 191 E HN 0.554 nan 8.360 nan 0.000 0.477 192 D N 2.609 122.872 120.400 -0.229 0.000 2.911 192 D HA -0.232 4.408 4.640 -0.000 0.000 0.199 192 D C 0.754 177.062 176.300 0.015 0.000 1.041 192 D CA 1.518 55.500 54.000 -0.030 0.000 1.013 192 D CB -0.965 39.856 40.800 0.035 0.000 1.093 192 D HN 0.567 nan 8.370 nan 0.000 0.431 193 I N -0.926 119.574 120.570 -0.117 0.000 3.878 193 I HA 0.086 4.255 4.170 -0.000 0.000 0.273 193 I C 0.268 176.432 176.117 0.077 0.000 1.165 193 I CA 0.024 61.345 61.300 0.036 0.000 1.360 193 I CB 0.887 38.902 38.000 0.025 0.000 1.539 193 I HN -0.167 nan 8.210 nan 0.000 0.447 194 I N 1.486 122.010 120.570 -0.077 0.000 2.389 194 I HA 0.280 4.450 4.170 -0.000 0.000 0.288 194 I C -1.450 174.637 176.117 -0.050 0.000 0.999 194 I CA -0.480 60.853 61.300 0.055 0.000 1.129 194 I CB 0.921 38.949 38.000 0.046 0.000 1.288 194 I HN 0.021 nan 8.210 nan 0.000 0.444 195 Y N 4.542 124.948 120.300 0.175 0.000 2.328 195 Y HA 0.408 4.958 4.550 -0.000 0.000 0.333 195 Y C 0.294 176.307 175.900 0.188 0.000 0.958 195 Y CA -0.967 57.237 58.100 0.173 0.000 1.167 195 Y CB 1.015 39.616 38.460 0.234 0.000 1.151 195 Y HN 0.408 nan 8.280 nan 0.000 0.470 196 N N 2.154 120.955 118.700 0.169 0.000 2.424 196 N HA 0.362 5.102 4.740 -0.000 0.000 0.271 196 N C 0.937 176.430 175.510 -0.027 0.000 0.985 196 N CA 0.445 53.532 53.050 0.061 0.000 0.921 196 N CB 1.849 40.258 38.487 -0.129 0.000 1.149 196 N HN 0.981 nan 8.380 nan 0.000 0.492 197 G N 1.484 110.313 108.800 0.048 0.000 2.184 197 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.264 197 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.264 197 G C 0.114 174.938 174.900 -0.126 0.000 0.975 197 G CA 0.729 45.786 45.100 -0.071 0.000 0.642 197 G HN 0.667 nan 8.290 nan 0.000 0.536 198 I N -1.466 119.075 120.570 -0.048 0.000 2.828 198 I HA 0.792 4.961 4.170 -0.000 0.000 0.302 198 I C 0.471 176.521 176.117 -0.111 0.000 1.101 198 I CA -0.662 60.458 61.300 -0.301 0.000 1.031 198 I CB 1.937 39.514 38.000 -0.705 0.000 1.231 198 I HN 0.171 nan 8.210 nan 0.000 0.427 199 T N -0.377 114.001 114.554 -0.293 0.000 2.816 199 T HA 0.272 4.622 4.350 -0.000 0.000 0.282 199 T C -0.098 174.212 174.700 -0.650 0.000 0.993 199 T CA -0.592 61.133 62.100 -0.626 0.000 0.994 199 T CB 1.248 69.936 68.868 -0.300 0.000 1.025 199 T HN 0.821 nan 8.240 nan 0.000 0.529 200 D N -0.322 119.478 120.400 -0.999 0.000 2.506 200 D HA 0.015 4.654 4.640 -0.000 0.000 0.272 200 D C 0.805 177.007 176.300 -0.164 0.000 1.214 200 D CA -0.939 52.577 54.000 -0.807 0.000 1.067 200 D CB 0.662 40.998 40.800 -0.773 0.000 1.117 200 D HN 0.679 nan 8.370 nan 0.000 0.578 201 W N 0.405 121.646 121.300 -0.098 0.000 2.317 201 W HA -0.237 4.423 4.660 -0.000 0.000 0.318 201 W C 2.240 178.647 176.519 -0.186 0.000 1.227 201 W CA 2.097 59.391 57.345 -0.085 0.000 1.269 201 W CB -0.541 28.811 29.460 -0.180 0.000 1.155 201 W HN 0.214 nan 8.180 nan 0.000 0.484 202 V N -0.080 119.919 119.914 0.142 0.000 2.427 202 V HA -0.304 3.815 4.120 -0.000 0.000 0.248 202 V C 1.921 177.818 176.094 -0.330 0.000 1.051 202 V CA 2.085 64.355 62.300 -0.051 0.000 1.048 202 V CB -0.766 31.009 31.823 -0.081 0.000 0.666 202 V HN 0.306 nan 8.190 nan 0.000 0.456 203 Y N 0.481 120.539 120.300 -0.403 0.000 2.242 203 Y HA -0.162 4.388 4.550 -0.000 0.000 0.291 203 Y C 2.615 178.263 175.900 -0.421 0.000 1.137 203 Y CA 2.075 59.858 58.100 -0.529 0.000 1.181 203 Y CB -0.153 37.848 38.460 -0.765 0.000 0.989 203 Y HN 0.338 nan 8.280 nan 0.000 0.527 204 E N 0.207 120.293 120.200 -0.190 0.000 2.051 204 E HA -0.284 4.066 4.350 -0.000 0.000 0.192 204 E C 1.991 178.508 176.600 -0.138 0.000 0.991 204 E CA 1.527 57.869 56.400 -0.097 0.000 0.799 204 E CB 0.053 29.732 29.700 -0.036 0.000 0.748 204 E HN 0.387 nan 8.360 nan 0.000 0.449 205 E N 0.266 120.208 120.200 -0.429 0.000 2.028 205 E HA -0.155 4.195 4.350 -0.000 0.000 0.190 205 E C 1.768 178.232 176.600 -0.227 0.000 0.984 205 E CA 1.605 57.737 56.400 -0.446 0.000 0.800 205 E CB 0.155 29.232 29.700 -1.038 0.000 0.758 205 E HN 0.209 nan 8.360 nan 0.000 0.448 206 E N -0.750 119.291 120.200 -0.264 0.000 2.290 206 E HA 0.067 4.417 4.350 -0.000 0.000 0.197 206 E C 2.136 178.633 176.600 -0.172 0.000 0.948 206 E CA 0.556 56.860 56.400 -0.159 0.000 0.895 206 E CB 0.329 29.936 29.700 -0.154 0.000 0.865 206 E HN 0.182 nan 8.360 nan 0.000 0.486 207 V N 0.493 120.218 119.914 -0.315 0.000 2.326 207 V HA -0.050 4.070 4.120 -0.000 0.000 0.238 207 V C 1.752 177.847 176.094 0.001 0.000 1.038 207 V CA 1.238 63.337 62.300 -0.335 0.000 1.032 207 V CB -0.354 30.985 31.823 -0.807 0.000 0.675 207 V HN 0.050 nan 8.190 nan 0.000 0.467 208 F N 1.036 121.002 119.950 0.026 0.000 2.746 208 F HA 0.222 4.748 4.527 -0.000 0.000 0.297 208 F C 1.702 177.453 175.800 -0.081 0.000 1.113 208 F CA -0.032 57.995 58.000 0.045 0.000 1.367 208 F CB -1.007 38.067 39.000 0.123 0.000 1.111 208 F HN 0.332 nan 8.300 nan 0.000 0.590 209 S N 0.080 115.777 115.700 -0.006 0.000 3.410 209 S HA 0.011 4.481 4.470 -0.000 0.000 0.369 209 S C -0.009 174.092 174.600 -0.832 0.000 0.961 209 S CA 0.211 58.169 58.200 -0.403 0.000 1.248 209 S CB -2.291 60.802 63.200 -0.178 0.000 0.914 209 S HN 0.951 nan 8.310 nan 0.000 0.497 210 A N 0.038 122.621 122.820 -0.395 0.000 2.608 210 A HA 0.678 4.998 4.320 -0.000 0.000 0.292 210 A C -0.284 177.286 177.584 -0.024 0.000 1.066 210 A CA -0.339 51.548 52.037 -0.251 0.000 0.676 210 A CB 0.022 18.889 19.000 -0.222 0.000 1.277 210 A HN 0.802 nan 8.150 nan 0.000 0.413 211 Y N 0.899 121.056 120.300 -0.237 0.000 2.448 211 Y HA 0.163 4.713 4.550 -0.000 0.000 0.289 211 Y C 1.498 177.157 175.900 -0.401 0.000 1.114 211 Y CA 1.002 58.969 58.100 -0.221 0.000 1.235 211 Y CB 0.359 38.726 38.460 -0.154 0.000 1.045 211 Y HN 0.654 nan 8.280 nan 0.000 0.554 212 S N 0.895 116.137 115.700 -0.762 0.000 2.498 212 S HA 0.336 4.806 4.470 -0.000 0.000 0.281 212 S C 0.194 174.373 174.600 -0.701 0.000 1.265 212 S CA 0.128 57.657 58.200 -1.120 0.000 1.071 212 S CB 0.661 62.861 63.200 -1.667 0.000 0.894 212 S HN 0.404 nan 8.310 nan 0.000 0.491 213 A N 6.206 128.655 122.820 -0.619 0.000 2.985 213 A HA 0.536 4.856 4.320 -0.000 0.000 0.303 213 A C -0.385 176.648 177.584 -0.918 0.000 1.048 213 A CA -0.463 51.198 52.037 -0.626 0.000 1.016 213 A CB -0.063 19.056 19.000 0.197 0.000 1.118 213 A HN 0.726 nan 8.150 nan 0.000 0.529 214 L N -0.289 120.215 121.223 -1.197 0.000 2.370 214 L HA 0.655 4.995 4.340 -0.000 0.000 0.266 214 L C -1.069 175.251 176.870 -0.917 0.000 1.002 214 L CA -0.683 53.725 54.840 -0.720 0.000 0.818 214 L CB 2.091 43.927 42.059 -0.371 0.000 1.325 214 L HN 0.437 nan 8.230 nan 0.000 0.418 215 W N 1.654 123.002 121.300 0.080 0.000 2.740 215 W HA 0.203 4.863 4.660 -0.000 0.000 0.316 215 W C -1.128 175.595 176.519 0.340 0.000 1.020 215 W CA -1.134 56.365 57.345 0.256 0.000 1.278 215 W CB 1.023 30.696 29.460 0.355 0.000 1.224 215 W HN 0.498 nan 8.180 nan 0.000 0.393 216 W N 2.241 123.718 121.300 0.295 0.000 2.148 216 W HA 0.167 4.827 4.660 -0.000 0.000 0.347 216 W C 1.398 177.568 176.519 -0.581 0.000 1.288 216 W CA 0.529 57.883 57.345 0.015 0.000 1.252 216 W CB 0.611 30.071 29.460 0.000 0.000 1.156 216 W HN 0.190 nan 8.180 nan 0.000 0.580 217 S N 1.835 117.188 115.700 -0.580 0.000 2.585 217 S HA 0.166 4.636 4.470 -0.000 0.000 0.273 217 S C -1.792 172.485 174.600 -0.538 0.000 1.339 217 S CA -1.094 56.255 58.200 -1.417 0.000 1.028 217 S CB 1.210 63.908 63.200 -0.836 0.000 0.906 217 S HN 0.260 nan 8.310 nan 0.000 0.528 218 P HA -0.177 nan 4.420 nan 0.000 0.217 218 P C 1.230 178.492 177.300 -0.063 0.000 1.148 218 P CA 1.504 64.542 63.100 -0.102 0.000 0.828 218 P CB -0.103 31.601 31.700 0.007 0.000 0.783 219 N N -1.595 117.064 118.700 -0.068 0.000 2.387 219 N HA 0.045 4.785 4.740 -0.000 0.000 0.176 219 N C 1.236 176.687 175.510 -0.097 0.000 1.022 219 N CA 1.639 54.659 53.050 -0.049 0.000 0.883 219 N CB -0.588 37.894 38.487 -0.008 0.000 1.019 219 N HN 0.189 nan 8.380 nan 0.000 0.435 220 G N -1.345 107.398 108.800 -0.095 0.000 2.161 220 G HA2 -0.132 3.828 3.960 -0.000 0.000 0.140 220 G HA3 -0.132 3.828 3.960 -0.000 0.000 0.140 220 G C 0.347 175.239 174.900 -0.012 0.000 1.040 220 G CA 0.314 45.335 45.100 -0.131 0.000 0.735 220 G HN 0.365 nan 8.290 nan 0.000 0.496 221 T N -0.032 114.525 114.554 0.005 0.000 3.040 221 T HA 0.418 4.768 4.350 -0.000 0.000 0.252 221 T C 0.452 175.004 174.700 -0.246 0.000 1.064 221 T CA 0.660 62.685 62.100 -0.125 0.000 1.110 221 T CB 0.282 69.039 68.868 -0.185 0.000 0.921 221 T HN 0.236 nan 8.240 nan 0.000 0.480 222 F N 0.502 120.536 119.950 0.140 0.000 2.561 222 F HA 0.681 5.208 4.527 -0.000 0.000 0.321 222 F C -0.640 175.296 175.800 0.226 0.000 1.065 222 F CA -1.594 56.535 58.000 0.216 0.000 0.934 222 F CB 1.729 40.963 39.000 0.391 0.000 1.215 222 F HN -0.162 nan 8.300 nan 0.000 0.471 223 L N 2.683 124.135 121.223 0.382 0.000 2.377 223 L HA 0.770 5.109 4.340 -0.000 0.000 0.270 223 L C -0.520 176.512 176.870 0.270 0.000 0.991 223 L CA -0.391 54.514 54.840 0.109 0.000 0.851 223 L CB 0.764 42.661 42.059 -0.269 0.000 1.218 223 L HN 0.670 nan 8.230 nan 0.000 0.420 224 A N 4.623 127.675 122.820 0.388 0.000 2.316 224 A HA 0.715 5.034 4.320 -0.000 0.000 0.284 224 A C -1.239 176.484 177.584 0.231 0.000 1.115 224 A CA -0.084 52.059 52.037 0.176 0.000 0.812 224 A CB 0.354 19.580 19.000 0.378 0.000 1.064 224 A HN 0.871 nan 8.150 nan 0.000 0.489 225 Y N -1.942 118.204 120.300 -0.258 0.000 2.641 225 Y HA 0.697 5.246 4.550 -0.000 0.000 0.333 225 Y C -0.452 175.384 175.900 -0.106 0.000 1.174 225 Y CA -0.858 57.219 58.100 -0.038 0.000 1.057 225 Y CB 0.675 39.071 38.460 -0.108 0.000 1.322 225 Y HN 0.966 nan 8.280 nan 0.000 0.457 226 A N 2.541 125.579 122.820 0.363 0.000 2.320 226 A HA 0.693 5.013 4.320 -0.000 0.000 0.334 226 A C -1.173 176.430 177.584 0.032 0.000 1.147 226 A CA -0.789 51.317 52.037 0.115 0.000 0.820 226 A CB 1.731 20.763 19.000 0.053 0.000 1.218 226 A HN 0.773 nan 8.150 nan 0.000 0.482 227 Q N 1.624 121.330 119.800 -0.157 0.000 2.321 227 Q HA 0.546 4.886 4.340 -0.000 0.000 0.270 227 Q C -2.165 173.680 176.000 -0.259 0.000 1.032 227 Q CA -0.260 55.540 55.803 -0.005 0.000 0.784 227 Q CB 1.122 30.051 28.738 0.319 0.000 1.264 227 Q HN 0.565 nan 8.270 nan 0.000 0.448 228 F N 2.561 122.625 119.950 0.191 0.000 2.469 228 F HA 0.419 4.946 4.527 -0.000 0.000 0.332 228 F C 0.568 176.517 175.800 0.248 0.000 1.103 228 F CA -0.879 57.203 58.000 0.136 0.000 0.979 228 F CB 1.456 40.440 39.000 -0.027 0.000 1.137 228 F HN 0.426 nan 8.300 nan 0.000 0.463 229 N N 2.033 120.944 118.700 0.350 0.000 2.518 229 N HA 0.222 4.962 4.740 -0.000 0.000 0.254 229 N C -0.775 174.894 175.510 0.265 0.000 0.979 229 N CA -0.346 52.870 53.050 0.277 0.000 0.930 229 N CB 0.950 39.547 38.487 0.184 0.000 1.152 229 N HN 0.515 nan 8.380 nan 0.000 0.505 230 D N 1.499 122.075 120.400 0.293 0.000 2.368 230 D HA 0.097 4.737 4.640 -0.000 0.000 0.218 230 D C 1.207 177.612 176.300 0.175 0.000 1.112 230 D CA 0.209 54.361 54.000 0.253 0.000 0.834 230 D CB 0.439 41.443 40.800 0.340 0.000 0.953 230 D HN 0.480 nan 8.370 nan 0.000 0.505 231 T N 0.381 115.021 114.554 0.143 0.000 2.624 231 T HA -0.215 4.135 4.350 -0.000 0.000 0.268 231 T C 1.564 176.315 174.700 0.085 0.000 1.041 231 T CA 1.280 63.440 62.100 0.100 0.000 1.159 231 T CB -0.019 68.898 68.868 0.082 0.000 0.863 231 T HN 0.284 nan 8.240 nan 0.000 0.434 232 E N 0.400 120.651 120.200 0.085 0.000 2.479 232 E HA 0.112 4.462 4.350 -0.000 0.000 0.193 232 E C -0.092 176.553 176.600 0.076 0.000 1.049 232 E CA -0.207 56.235 56.400 0.070 0.000 0.870 232 E CB 0.335 30.071 29.700 0.060 0.000 0.944 232 E HN 0.253 nan 8.360 nan 0.000 0.492 233 V N 3.830 123.802 119.914 0.097 0.000 2.585 233 V HA 0.052 4.172 4.120 -0.000 0.000 0.296 233 V C -2.091 174.056 176.094 0.089 0.000 1.035 233 V CA -1.176 61.185 62.300 0.101 0.000 1.084 233 V CB 0.215 32.115 31.823 0.130 0.000 0.953 233 V HN 0.058 nan 8.190 nan 0.000 0.483 234 P HA 0.391 nan 4.420 nan 0.000 0.284 234 P C -0.713 176.623 177.300 0.060 0.000 1.253 234 P CA -0.504 62.632 63.100 0.059 0.000 0.800 234 P CB 0.596 32.327 31.700 0.052 0.000 0.961 235 L N 2.641 123.881 121.223 0.028 0.000 2.371 235 L HA 0.358 4.697 4.340 -0.000 0.000 0.272 235 L C 0.753 177.582 176.870 -0.068 0.000 1.124 235 L CA -0.868 53.972 54.840 0.002 0.000 0.816 235 L CB 0.211 42.264 42.059 -0.011 0.000 1.129 235 L HN 0.297 nan 8.230 nan 0.000 0.448 236 I N 2.292 122.777 120.570 -0.142 0.000 2.474 236 I HA 0.172 4.342 4.170 -0.000 0.000 0.287 236 I C -0.195 175.779 176.117 -0.239 0.000 1.048 236 I CA 0.167 61.283 61.300 -0.306 0.000 1.383 236 I CB 0.700 38.269 38.000 -0.718 0.000 1.412 236 I HN 0.574 nan 8.210 nan 0.000 0.531 237 E N 7.560 127.633 120.200 -0.210 0.000 2.199 237 E HA 0.449 4.798 4.350 -0.000 0.000 0.265 237 E C -1.751 174.786 176.600 -0.104 0.000 0.882 237 E CA -0.546 55.740 56.400 -0.191 0.000 0.759 237 E CB 1.756 31.372 29.700 -0.141 0.000 1.148 237 E HN 0.557 nan 8.360 nan 0.000 0.412 238 Y N -1.435 118.783 120.300 -0.136 0.000 2.562 238 Y HA 0.539 5.089 4.550 -0.000 0.000 0.345 238 Y C -0.475 175.352 175.900 -0.122 0.000 1.045 238 Y CA -1.370 56.654 58.100 -0.127 0.000 1.028 238 Y CB 0.880 39.276 38.460 -0.107 0.000 1.297 238 Y HN 0.156 nan 8.280 nan 0.000 0.463 239 S N 2.305 117.990 115.700 -0.025 0.000 2.549 239 S HA 0.338 4.808 4.470 -0.000 0.000 0.279 239 S C -1.245 173.180 174.600 -0.292 0.000 1.321 239 S CA -0.257 57.764 58.200 -0.299 0.000 1.054 239 S CB 0.005 62.860 63.200 -0.575 0.000 0.899 239 S HN 0.527 nan 8.310 nan 0.000 0.497 240 F N 2.743 122.434 119.950 -0.431 0.000 2.477 240 F HA 0.432 4.959 4.527 -0.000 0.000 0.335 240 F C -0.136 175.443 175.800 -0.368 0.000 1.130 240 F CA -0.860 56.981 58.000 -0.264 0.000 0.948 240 F CB 0.823 39.789 39.000 -0.058 0.000 1.154 240 F HN 0.657 nan 8.300 nan 0.000 0.439 241 Y N 2.521 122.689 120.300 -0.220 0.000 2.436 241 Y HA 0.148 4.698 4.550 -0.000 0.000 0.288 241 Y C 1.660 177.570 175.900 0.016 0.000 1.112 241 Y CA 1.009 59.057 58.100 -0.086 0.000 1.220 241 Y CB -0.402 37.968 38.460 -0.150 0.000 1.073 241 Y HN 0.728 nan 8.280 nan 0.000 0.552 242 S N -0.203 115.561 115.700 0.107 0.000 3.633 242 S HA -0.303 4.167 4.470 -0.000 0.000 0.637 242 S C -0.266 174.429 174.600 0.158 0.000 2.289 242 S CA 0.090 58.457 58.200 0.279 0.000 2.476 242 S CB -1.366 62.050 63.200 0.360 0.000 0.330 242 S HN 0.613 nan 8.310 nan 0.000 1.787 243 D N 1.019 121.513 120.400 0.155 0.000 2.449 243 D HA 0.183 4.822 4.640 -0.000 0.000 0.236 243 D C 1.513 177.862 176.300 0.080 0.000 1.149 243 D CA 0.988 55.048 54.000 0.100 0.000 0.878 243 D CB 0.390 41.244 40.800 0.090 0.000 1.198 243 D HN 0.484 nan 8.370 nan 0.000 0.446 244 E N 0.839 121.071 120.200 0.052 0.000 2.187 244 E HA -0.259 4.091 4.350 -0.000 0.000 0.199 244 E C 1.868 178.492 176.600 0.040 0.000 1.004 244 E CA 1.355 57.776 56.400 0.035 0.000 0.813 244 E CB -0.212 29.499 29.700 0.018 0.000 0.736 244 E HN 0.581 nan 8.360 nan 0.000 0.468 245 S N 0.793 116.521 115.700 0.047 0.000 2.447 245 S HA -0.099 4.371 4.470 -0.000 0.000 0.233 245 S C 1.113 175.748 174.600 0.059 0.000 1.006 245 S CA 0.202 58.429 58.200 0.046 0.000 0.957 245 S CB -0.204 63.023 63.200 0.045 0.000 0.773 245 S HN 0.178 nan 8.310 nan 0.000 0.507 246 L N 2.484 123.754 121.223 0.078 0.000 2.485 246 L HA 0.124 4.464 4.340 -0.000 0.000 0.279 246 L C 1.655 178.577 176.870 0.087 0.000 1.124 246 L CA 0.036 54.935 54.840 0.099 0.000 0.888 246 L CB 0.707 42.843 42.059 0.128 0.000 1.217 246 L HN 0.491 nan 8.230 nan 0.000 0.464 247 Q N 4.026 123.882 119.800 0.092 0.000 2.079 247 Q HA -0.113 4.227 4.340 -0.000 0.000 0.200 247 Q C -0.477 175.494 176.000 -0.048 0.000 0.974 247 Q CA 1.342 57.164 55.803 0.031 0.000 0.840 247 Q CB 0.203 28.987 28.738 0.078 0.000 0.898 247 Q HN 0.583 nan 8.270 nan 0.000 0.430 248 Y N 1.269 121.588 120.300 0.032 0.000 2.331 248 Y HA 0.350 4.900 4.550 -0.000 0.000 0.338 248 Y C -1.991 173.928 175.900 0.032 0.000 0.992 248 Y CA -2.942 55.175 58.100 0.027 0.000 1.121 248 Y CB 1.224 39.690 38.460 0.010 0.000 1.184 248 Y HN 0.198 nan 8.280 nan 0.000 0.469 249 P HA -0.004 nan 4.420 nan 0.000 0.268 249 P C -0.856 176.465 177.300 0.035 0.000 1.205 249 P CA -0.359 62.779 63.100 0.064 0.000 0.771 249 P CB 0.819 32.504 31.700 -0.024 0.000 0.858 250 K N 1.488 121.904 120.400 0.027 0.000 2.174 250 K HA 0.335 4.655 4.320 -0.000 0.000 0.275 250 K C -0.716 175.852 176.600 -0.054 0.000 1.015 250 K CA -0.429 55.861 56.287 0.004 0.000 0.933 250 K CB 0.425 32.935 32.500 0.018 0.000 1.025 250 K HN 0.272 nan 8.250 nan 0.000 0.463 251 T N 3.258 117.760 114.554 -0.087 0.000 2.743 251 T HA 0.204 4.554 4.350 -0.000 0.000 0.293 251 T C -0.345 174.237 174.700 -0.198 0.000 0.945 251 T CA -0.715 61.300 62.100 -0.143 0.000 1.030 251 T CB 1.039 69.834 68.868 -0.121 0.000 0.912 251 T HN 0.378 nan 8.240 nan 0.000 0.483 252 V N 5.109 124.815 119.914 -0.346 0.000 2.546 252 V HA 0.414 4.534 4.120 -0.000 0.000 0.284 252 V C 0.477 176.299 176.094 -0.453 0.000 1.050 252 V CA -0.544 61.485 62.300 -0.452 0.000 0.981 252 V CB 0.942 32.328 31.823 -0.729 0.000 0.990 252 V HN 0.722 nan 8.190 nan 0.000 0.474 253 R N 3.169 123.528 120.500 -0.234 0.000 2.435 253 R HA 0.670 5.010 4.340 -0.000 0.000 0.308 253 R C -1.567 174.723 176.300 -0.017 0.000 0.975 253 R CA -0.453 55.562 56.100 -0.142 0.000 0.867 253 R CB 2.047 32.294 30.300 -0.088 0.000 1.171 253 R HN 0.579 nan 8.270 nan 0.000 0.470 254 V N 3.443 123.355 119.914 -0.003 0.000 2.487 254 V HA 0.383 4.502 4.120 -0.000 0.000 0.298 254 V C -2.328 173.831 176.094 0.107 0.000 1.028 254 V CA -2.749 59.629 62.300 0.130 0.000 0.860 254 V CB 1.830 33.719 31.823 0.111 0.000 0.991 254 V HN 0.599 nan 8.190 nan 0.000 0.427 255 P HA 0.132 nan 4.420 nan 0.000 0.260 255 P C -1.229 176.173 177.300 0.171 0.000 1.207 255 P CA 0.600 63.812 63.100 0.186 0.000 0.780 255 P CB -0.331 31.528 31.700 0.266 0.000 0.789 256 Y N 6.308 126.582 120.300 -0.043 0.000 2.332 256 Y HA 0.397 4.947 4.550 -0.000 0.000 0.325 256 Y C -2.657 173.205 175.900 -0.063 0.000 1.054 256 Y CA -2.748 55.268 58.100 -0.141 0.000 1.119 256 Y CB 2.180 40.444 38.460 -0.328 0.000 1.168 256 Y HN 0.284 nan 8.280 nan 0.000 0.439 257 P HA 0.265 nan 4.420 nan 0.000 0.291 257 P C -1.247 176.094 177.300 0.067 0.000 1.340 257 P CA -0.321 62.799 63.100 0.034 0.000 0.799 257 P CB 1.187 32.894 31.700 0.011 0.000 0.917 258 K N 2.037 122.566 120.400 0.216 0.000 2.118 258 K HA 0.517 4.837 4.320 -0.000 0.000 0.264 258 K C 0.427 177.139 176.600 0.187 0.000 1.000 258 K CA -0.743 55.700 56.287 0.259 0.000 0.929 258 K CB 0.829 33.496 32.500 0.278 0.000 1.021 258 K HN 0.453 nan 8.250 nan 0.000 0.463 259 A N 1.578 124.537 122.820 0.232 0.000 2.581 259 A HA 0.158 4.478 4.320 -0.000 0.000 0.257 259 A C 1.250 178.898 177.584 0.105 0.000 1.022 259 A CA 1.286 53.453 52.037 0.216 0.000 0.812 259 A CB -1.313 17.910 19.000 0.372 0.000 0.918 259 A HN 0.979 nan 8.150 nan 0.000 0.516 260 G N 1.075 109.922 108.800 0.079 0.000 2.234 260 G HA2 0.131 4.091 3.960 -0.000 0.000 0.235 260 G HA3 0.131 4.091 3.960 -0.000 0.000 0.235 260 G C 0.746 175.672 174.900 0.043 0.000 0.997 260 G CA 0.693 45.812 45.100 0.030 0.000 0.623 260 G HN 2.231 nan 8.290 nan 0.000 0.514 261 A N -0.086 122.774 122.820 0.067 0.000 2.292 261 A HA 0.671 4.991 4.320 -0.000 0.000 0.265 261 A C 0.898 178.520 177.584 0.062 0.000 1.133 261 A CA 0.480 52.556 52.037 0.066 0.000 0.807 261 A CB 0.451 19.503 19.000 0.086 0.000 1.102 261 A HN 1.165 nan 8.150 nan 0.000 0.502 262 V N 2.791 122.741 119.914 0.061 0.000 2.403 262 V HA 0.004 4.124 4.120 -0.000 0.000 0.265 262 V C 0.440 176.580 176.094 0.078 0.000 1.034 262 V CA -0.238 62.098 62.300 0.060 0.000 1.036 262 V CB -0.888 30.969 31.823 0.056 0.000 1.032 262 V HN 0.762 nan 8.190 nan 0.000 0.478 263 N N 6.552 125.301 118.700 0.081 0.000 2.371 263 N HA 0.240 4.980 4.740 -0.000 0.000 0.243 263 N C -2.288 173.305 175.510 0.139 0.000 1.287 263 N CA -1.327 51.794 53.050 0.118 0.000 0.911 263 N CB 0.340 38.910 38.487 0.139 0.000 1.142 263 N HN 0.347 nan 8.380 nan 0.000 0.451 264 P HA 0.048 nan 4.420 nan 0.000 0.270 264 P C -0.265 177.169 177.300 0.225 0.000 1.223 264 P CA -0.034 63.217 63.100 0.252 0.000 0.785 264 P CB 0.333 32.255 31.700 0.368 0.000 0.923 265 T N -1.446 113.221 114.554 0.187 0.000 2.952 265 T HA 0.667 5.017 4.350 -0.000 0.000 0.286 265 T C -0.632 174.152 174.700 0.140 0.000 1.024 265 T CA -0.790 61.373 62.100 0.105 0.000 1.029 265 T CB 1.276 70.179 68.868 0.059 0.000 1.094 265 T HN 0.239 nan 8.240 nan 0.000 0.515 266 V N 0.878 120.843 119.914 0.084 0.000 2.888 266 V HA 0.692 4.811 4.120 -0.000 0.000 0.309 266 V C -1.494 174.653 176.094 0.087 0.000 1.114 266 V CA -0.849 61.460 62.300 0.015 0.000 0.940 266 V CB 2.157 33.950 31.823 -0.050 0.000 1.021 266 V HN 1.083 nan 8.190 nan 0.000 0.426 267 K N 4.760 125.162 120.400 0.004 0.000 2.318 267 K HA 0.587 4.907 4.320 -0.000 0.000 0.249 267 K C -1.696 174.827 176.600 -0.128 0.000 0.942 267 K CA -0.488 55.771 56.287 -0.048 0.000 0.808 267 K CB 2.702 35.146 32.500 -0.093 0.000 1.189 267 K HN 0.552 nan 8.250 nan 0.000 0.428 268 F N 2.276 121.983 119.950 -0.406 0.000 2.508 268 F HA 0.581 5.108 4.527 -0.000 0.000 0.325 268 F C -1.322 173.981 175.800 -0.828 0.000 1.090 268 F CA -0.662 57.079 58.000 -0.431 0.000 0.945 268 F CB 0.843 39.734 39.000 -0.182 0.000 1.156 268 F HN 0.395 nan 8.300 nan 0.000 0.463 269 F N 3.495 122.653 119.950 -1.320 0.000 2.613 269 F HA 0.760 5.287 4.527 -0.000 0.000 0.314 269 F C -1.000 174.080 175.800 -1.201 0.000 1.075 269 F CA -1.091 56.256 58.000 -1.089 0.000 0.945 269 F CB 2.086 40.333 39.000 -1.254 0.000 1.310 269 F HN 0.175 nan 8.300 nan 0.000 0.467 270 V N 1.881 121.564 119.914 -0.385 0.000 2.876 270 V HA 0.777 4.897 4.120 -0.000 0.000 0.312 270 V C -1.332 174.877 176.094 0.193 0.000 1.085 270 V CA -0.909 61.276 62.300 -0.192 0.000 0.945 270 V CB 2.267 33.772 31.823 -0.531 0.000 1.017 270 V HN 0.604 nan 8.190 nan 0.000 0.428 271 V N 2.718 122.852 119.914 0.367 0.000 2.851 271 V HA 0.558 4.677 4.120 -0.000 0.000 0.307 271 V C -0.881 175.457 176.094 0.408 0.000 1.129 271 V CA -0.589 61.942 62.300 0.385 0.000 0.932 271 V CB 2.267 34.241 31.823 0.251 0.000 1.024 271 V HN 0.974 nan 8.190 nan 0.000 0.426 272 N N 3.294 122.153 118.700 0.265 0.000 2.475 272 N HA 0.196 4.936 4.740 -0.000 0.000 0.267 272 N C 1.119 176.544 175.510 -0.141 0.000 1.169 272 N CA 0.823 53.750 53.050 -0.205 0.000 0.947 272 N CB 1.853 40.235 38.487 -0.176 0.000 1.061 272 N HN 0.900 nan 8.380 nan 0.000 0.466 273 T N 0.046 114.488 114.554 -0.188 0.000 2.852 273 T HA -0.002 4.348 4.350 -0.000 0.000 0.256 273 T C 0.964 175.616 174.700 -0.080 0.000 1.038 273 T CA 0.650 62.724 62.100 -0.043 0.000 1.141 273 T CB -0.081 68.862 68.868 0.125 0.000 0.869 273 T HN 0.337 nan 8.240 nan 0.000 0.439 274 D N 2.007 122.336 120.400 -0.117 0.000 2.075 274 D HA -0.023 4.617 4.640 -0.000 0.000 0.196 274 D C 1.351 177.584 176.300 -0.111 0.000 0.985 274 D CA 1.231 55.176 54.000 -0.093 0.000 0.834 274 D CB -0.746 40.002 40.800 -0.087 0.000 0.987 274 D HN 0.480 nan 8.370 nan 0.000 0.452 275 S N 0.452 116.086 115.700 -0.110 0.000 2.503 275 S HA 0.248 4.718 4.470 -0.000 0.000 0.317 275 S C -0.481 174.055 174.600 -0.106 0.000 1.162 275 S CA -0.369 57.781 58.200 -0.083 0.000 1.124 275 S CB -0.519 62.660 63.200 -0.036 0.000 1.207 275 S HN 0.145 nan 8.310 nan 0.000 0.538 276 L N 5.067 126.189 121.223 -0.169 0.000 2.680 276 L HA 0.374 4.714 4.340 -0.000 0.000 0.260 276 L C -0.120 176.566 176.870 -0.308 0.000 0.975 276 L CA 0.153 54.848 54.840 -0.242 0.000 0.920 276 L CB 1.400 43.244 42.059 -0.358 0.000 1.234 276 L HN 0.623 nan 8.230 nan 0.000 0.429 277 S N 1.604 117.214 115.700 -0.151 0.000 2.558 277 S HA 0.111 4.581 4.470 -0.000 0.000 0.291 277 S C 1.089 175.650 174.600 -0.066 0.000 1.306 277 S CA 0.970 59.118 58.200 -0.086 0.000 1.056 277 S CB 0.786 63.972 63.200 -0.023 0.000 0.836 277 S HN 0.773 nan 8.310 nan 0.000 0.504 278 S N 2.939 118.653 115.700 0.023 0.000 2.506 278 S HA 0.080 4.550 4.470 -0.000 0.000 0.219 278 S C 1.381 176.061 174.600 0.134 0.000 1.031 278 S CA 0.393 58.698 58.200 0.176 0.000 0.911 278 S CB 0.049 63.415 63.200 0.277 0.000 0.812 278 S HN 0.656 nan 8.310 nan 0.000 0.497 279 V N 2.255 122.215 119.914 0.077 0.000 3.052 279 V HA 0.248 4.368 4.120 -0.000 0.000 0.254 279 V C 0.604 176.723 176.094 0.042 0.000 1.100 279 V CA 1.710 64.044 62.300 0.057 0.000 1.112 279 V CB 0.120 31.966 31.823 0.039 0.000 0.738 279 V HN 0.738 nan 8.190 nan 0.000 0.469 280 T N -1.945 112.632 114.554 0.039 0.000 2.901 280 T HA 0.443 4.793 4.350 -0.000 0.000 0.293 280 T C -0.304 174.422 174.700 0.043 0.000 1.084 280 T CA -0.830 61.282 62.100 0.019 0.000 1.008 280 T CB 1.284 70.151 68.868 -0.000 0.000 1.170 280 T HN 0.168 nan 8.240 nan 0.000 0.509 281 N N 0.281 118.993 118.700 0.019 0.000 2.231 281 N HA 0.373 5.112 4.740 -0.000 0.000 0.223 281 N C 0.845 176.407 175.510 0.086 0.000 1.329 281 N CA 0.072 53.171 53.050 0.083 0.000 0.889 281 N CB 0.063 38.528 38.487 -0.036 0.000 1.125 281 N HN 0.982 nan 8.380 nan 0.000 0.447 282 A N -0.222 122.681 122.820 0.138 0.000 2.251 282 A HA 0.268 4.588 4.320 -0.000 0.000 0.277 282 A C 0.566 178.189 177.584 0.066 0.000 1.313 282 A CA 0.403 52.487 52.037 0.077 0.000 0.813 282 A CB -0.079 18.964 19.000 0.071 0.000 1.210 282 A HN 0.564 nan 8.150 nan 0.000 0.509 283 T N 0.088 114.686 114.554 0.072 0.000 3.365 283 T HA 0.398 4.747 4.350 -0.000 0.000 0.290 283 T C -0.962 173.821 174.700 0.138 0.000 0.941 283 T CA -0.225 61.931 62.100 0.092 0.000 1.522 283 T CB -0.822 68.097 68.868 0.085 0.000 0.865 283 T HN 0.617 nan 8.240 nan 0.000 0.572 284 S N 4.841 120.617 115.700 0.127 0.000 2.448 284 S HA 0.432 4.902 4.470 -0.000 0.000 0.279 284 S C 0.418 175.172 174.600 0.257 0.000 1.195 284 S CA -0.778 57.522 58.200 0.166 0.000 1.051 284 S CB 0.208 63.439 63.200 0.052 0.000 0.948 284 S HN 0.579 nan 8.310 nan 0.000 0.493 285 I N 3.441 124.197 120.570 0.311 0.000 2.337 285 I HA 0.208 4.378 4.170 -0.000 0.000 0.291 285 I C 0.691 176.977 176.117 0.283 0.000 1.046 285 I CA -0.169 61.334 61.300 0.338 0.000 1.324 285 I CB 0.223 38.503 38.000 0.466 0.000 1.409 285 I HN 0.700 nan 8.210 nan 0.000 0.494 286 Q N 6.068 126.007 119.800 0.232 0.000 2.327 286 Q HA 0.415 4.755 4.340 -0.000 0.000 0.254 286 Q C -0.944 175.030 176.000 -0.043 0.000 0.952 286 Q CA -0.241 55.511 55.803 -0.085 0.000 0.884 286 Q CB 1.066 29.700 28.738 -0.174 0.000 1.224 286 Q HN 0.553 nan 8.270 nan 0.000 0.422 287 I N 3.775 124.288 120.570 -0.096 0.000 2.362 287 I HA 0.227 4.397 4.170 -0.000 0.000 0.289 287 I C 0.320 176.420 176.117 -0.028 0.000 0.994 287 I CA -0.702 60.612 61.300 0.023 0.000 1.158 287 I CB 1.650 39.725 38.000 0.125 0.000 1.315 287 I HN 0.710 nan 8.210 nan 0.000 0.451 288 T N 2.873 117.370 114.554 -0.096 0.000 2.849 288 T HA 0.673 5.023 4.350 -0.000 0.000 0.284 288 T C 0.262 174.724 174.700 -0.397 0.000 1.004 288 T CA -0.835 61.141 62.100 -0.207 0.000 1.021 288 T CB 1.550 70.303 68.868 -0.191 0.000 1.013 288 T HN 0.595 nan 8.240 nan 0.000 0.527 289 A N 2.013 124.377 122.820 -0.761 0.000 2.304 289 A HA 0.653 4.973 4.320 -0.000 0.000 0.271 289 A C -2.164 174.912 177.584 -0.846 0.000 1.091 289 A CA -1.636 49.532 52.037 -1.449 0.000 0.812 289 A CB -0.768 17.082 19.000 -1.915 0.000 1.056 289 A HN 0.726 nan 8.150 nan 0.000 0.489 290 P HA 0.215 nan 4.420 nan 0.000 0.272 290 P C 0.996 178.079 177.300 -0.363 0.000 1.254 290 P CA 0.546 63.388 63.100 -0.430 0.000 0.795 290 P CB 0.427 31.937 31.700 -0.315 0.000 1.022 291 A N 0.914 123.590 122.820 -0.238 0.000 1.842 291 A HA -0.217 4.103 4.320 -0.000 0.000 0.217 291 A C 2.161 179.618 177.584 -0.211 0.000 1.206 291 A CA 2.869 54.789 52.037 -0.195 0.000 0.630 291 A CB -2.036 16.883 19.000 -0.135 0.000 0.839 291 A HN 0.630 nan 8.150 nan 0.000 0.447 292 S N -1.449 114.137 115.700 -0.190 0.000 2.547 292 S HA -0.033 4.437 4.470 -0.000 0.000 0.235 292 S C 1.744 176.194 174.600 -0.251 0.000 0.980 292 S CA 1.327 59.402 58.200 -0.209 0.000 0.941 292 S CB -0.301 62.775 63.200 -0.207 0.000 0.763 292 S HN 0.359 nan 8.310 nan 0.000 0.532 293 M N 1.382 120.794 119.600 -0.313 0.000 2.160 293 M HA 0.245 4.725 4.480 -0.000 0.000 0.264 293 M C 2.064 178.064 176.300 -0.500 0.000 1.073 293 M CA 1.119 56.160 55.300 -0.431 0.000 1.142 293 M CB -1.316 30.893 32.600 -0.652 0.000 1.358 293 M HN 0.366 nan 8.290 nan 0.000 0.422 294 L N 0.589 121.524 121.223 -0.479 0.000 2.362 294 L HA -0.163 4.177 4.340 -0.000 0.000 0.219 294 L C 2.386 179.190 176.870 -0.110 0.000 1.134 294 L CA 0.335 55.011 54.840 -0.272 0.000 0.807 294 L CB -1.095 40.819 42.059 -0.242 0.000 0.927 294 L HN 0.285 nan 8.230 nan 0.000 0.447 295 I N -1.139 119.350 120.570 -0.136 0.000 2.208 295 I HA -0.029 4.141 4.170 -0.000 0.000 0.245 295 I C 1.265 177.349 176.117 -0.056 0.000 1.097 295 I CA 1.579 62.821 61.300 -0.095 0.000 1.363 295 I CB -0.804 37.124 38.000 -0.120 0.000 1.051 295 I HN 0.009 nan 8.210 nan 0.000 0.413 296 G N -0.752 108.025 108.800 -0.039 0.000 3.251 296 G HA2 0.401 4.361 3.960 -0.000 0.000 0.248 296 G HA3 0.401 4.361 3.960 -0.000 0.000 0.248 296 G C -1.609 173.324 174.900 0.056 0.000 1.320 296 G CA -0.480 44.613 45.100 -0.011 0.000 0.982 296 G HN 0.104 nan 8.290 nan 0.000 0.575 297 D N 0.753 121.146 120.400 -0.011 0.000 2.345 297 D HA 0.442 5.081 4.640 -0.000 0.000 0.247 297 D C 0.072 176.292 176.300 -0.133 0.000 1.108 297 D CA 0.345 54.289 54.000 -0.094 0.000 0.894 297 D CB 0.699 41.413 40.800 -0.143 0.000 1.203 297 D HN 0.506 nan 8.370 nan 0.000 0.430 298 H N -0.436 118.456 119.070 -0.297 0.000 2.990 298 H HA 0.435 4.991 4.556 -0.000 0.000 0.336 298 H C -1.373 173.760 175.328 -0.326 0.000 1.306 298 H CA -0.789 55.067 56.048 -0.320 0.000 1.118 298 H CB 0.374 30.110 29.762 -0.043 0.000 1.856 298 H HN 0.317 nan 8.280 nan 0.000 0.538 299 Y N 0.106 120.611 120.300 0.341 0.000 2.576 299 Y HA 0.413 4.963 4.550 -0.000 0.000 0.346 299 Y C -0.354 175.783 175.900 0.395 0.000 1.018 299 Y CA -1.305 56.998 58.100 0.338 0.000 1.050 299 Y CB 1.744 40.250 38.460 0.076 0.000 1.280 299 Y HN 0.479 nan 8.280 nan 0.000 0.474 300 L N 2.834 124.354 121.223 0.495 0.000 2.278 300 L HA 0.412 4.752 4.340 -0.000 0.000 0.287 300 L C 0.340 177.353 176.870 0.238 0.000 1.072 300 L CA -0.239 54.598 54.840 -0.005 0.000 0.819 300 L CB 0.338 42.231 42.059 -0.276 0.000 1.176 300 L HN 0.996 nan 8.230 nan 0.000 0.435 301 C N 1.334 120.688 119.300 0.089 0.000 3.243 301 C HA 0.559 5.019 4.460 -0.000 0.000 0.286 301 C C 0.035 175.134 174.990 0.181 0.000 1.373 301 C CA -0.538 58.614 59.018 0.223 0.000 1.749 301 C CB -1.013 26.809 27.740 0.138 0.000 2.313 301 C HN 0.855 nan 8.230 nan 0.000 0.644 302 D N 0.037 120.386 120.400 -0.085 0.000 2.747 302 D HA 0.343 4.983 4.640 -0.000 0.000 0.218 302 D C -1.862 174.052 176.300 -0.643 0.000 1.230 302 D CA 0.120 53.953 54.000 -0.279 0.000 0.774 302 D CB 2.639 43.329 40.800 -0.183 0.000 1.667 302 D HN 0.035 nan 8.370 nan 0.000 0.499 303 V N 2.702 122.094 119.914 -0.869 0.000 2.447 303 V HA 0.533 4.652 4.120 -0.000 0.000 0.292 303 V C -0.345 175.276 176.094 -0.789 0.000 1.021 303 V CA -0.482 61.115 62.300 -1.171 0.000 0.850 303 V CB 1.601 32.116 31.823 -2.180 0.000 1.005 303 V HN 0.663 nan 8.190 nan 0.000 0.426 304 T N 0.250 114.487 114.554 -0.528 0.000 2.937 304 T HA 0.543 4.893 4.350 -0.000 0.000 0.297 304 T C -0.912 173.637 174.700 -0.252 0.000 0.991 304 T CA -0.599 61.364 62.100 -0.229 0.000 0.990 304 T CB 0.931 69.736 68.868 -0.106 0.000 0.991 304 T HN 0.390 nan 8.240 nan 0.000 0.440 305 W N 1.647 122.841 121.300 -0.178 0.000 2.150 305 W HA 0.558 5.217 4.660 -0.000 0.000 0.341 305 W C 1.172 177.472 176.519 -0.366 0.000 1.276 305 W CA -0.030 57.191 57.345 -0.207 0.000 1.238 305 W CB 0.710 30.148 29.460 -0.037 0.000 1.128 305 W HN 0.925 nan 8.180 nan 0.000 0.581 306 A N 0.797 123.451 122.820 -0.277 0.000 1.988 306 A HA 0.310 4.630 4.320 -0.000 0.000 0.201 306 A C 0.657 178.211 177.584 -0.050 0.000 1.410 306 A CA 1.366 53.047 52.037 -0.594 0.000 0.832 306 A CB -0.338 17.948 19.000 -1.191 0.000 0.981 306 A HN 0.514 nan 8.150 nan 0.000 0.492 307 T N -4.647 109.970 114.554 0.105 0.000 2.598 307 T HA 0.337 4.687 4.350 -0.000 0.000 0.289 307 T C 0.109 175.008 174.700 0.331 0.000 1.056 307 T CA -0.354 61.862 62.100 0.194 0.000 1.088 307 T CB 0.457 69.419 68.868 0.158 0.000 1.519 307 T HN -0.043 nan 8.240 nan 0.000 0.488 308 Q N 0.425 120.388 119.800 0.273 0.000 2.245 308 Q HA 0.096 4.436 4.340 -0.000 0.000 0.201 308 Q C 1.351 177.617 176.000 0.444 0.000 0.955 308 Q CA 1.153 57.151 55.803 0.326 0.000 0.870 308 Q CB -0.029 28.854 28.738 0.240 0.000 0.945 308 Q HN 0.679 nan 8.270 nan 0.000 0.461 309 E N 0.324 120.725 120.200 0.334 0.000 2.481 309 E HA 0.141 4.491 4.350 -0.000 0.000 0.198 309 E C 0.237 177.024 176.600 0.311 0.000 1.027 309 E CA -0.073 56.479 56.400 0.254 0.000 0.900 309 E CB 0.957 30.759 29.700 0.171 0.000 0.993 309 E HN 0.102 nan 8.360 nan 0.000 0.482 310 R N 0.659 121.360 120.500 0.334 0.000 2.744 310 R HA 0.641 4.981 4.340 -0.000 0.000 0.279 310 R C -1.424 174.849 176.300 -0.046 0.000 0.977 310 R CA -0.485 55.718 56.100 0.172 0.000 0.906 310 R CB 1.668 31.990 30.300 0.036 0.000 1.197 310 R HN -0.017 nan 8.270 nan 0.000 0.463 311 I N 1.968 122.363 120.570 -0.291 0.000 2.775 311 I HA 0.294 4.464 4.170 -0.000 0.000 0.295 311 I C -1.343 174.447 176.117 -0.546 0.000 1.287 311 I CA -0.370 60.525 61.300 -0.675 0.000 1.029 311 I CB 2.358 39.559 38.000 -1.332 0.000 1.282 311 I HN 0.840 nan 8.210 nan 0.000 0.426 312 S N 7.126 122.488 115.700 -0.564 0.000 2.501 312 S HA 0.855 5.325 4.470 -0.000 0.000 0.301 312 S C -1.254 173.032 174.600 -0.523 0.000 1.096 312 S CA -0.606 57.345 58.200 -0.415 0.000 1.063 312 S CB 1.910 64.968 63.200 -0.238 0.000 1.042 312 S HN 0.410 nan 8.310 nan 0.000 0.494 313 L N 1.980 122.922 121.223 -0.468 0.000 2.408 313 L HA 0.553 4.892 4.340 -0.000 0.000 0.268 313 L C -0.407 176.187 176.870 -0.460 0.000 0.986 313 L CA -0.174 54.284 54.840 -0.636 0.000 0.820 313 L CB 2.176 43.801 42.059 -0.723 0.000 1.303 313 L HN 0.833 nan 8.230 nan 0.000 0.411 314 Q N 1.653 121.128 119.800 -0.542 0.000 2.333 314 Q HA 0.474 4.814 4.340 -0.000 0.000 0.268 314 Q C -1.671 174.103 176.000 -0.377 0.000 1.007 314 Q CA -0.410 55.212 55.803 -0.302 0.000 0.810 314 Q CB 1.715 30.355 28.738 -0.164 0.000 1.264 314 Q HN 0.493 nan 8.270 nan 0.000 0.452 315 W N 2.918 124.202 121.300 -0.027 0.000 2.578 315 W HA 0.658 5.318 4.660 -0.000 0.000 0.346 315 W C -0.658 175.922 176.519 0.101 0.000 1.075 315 W CA -0.548 56.822 57.345 0.042 0.000 1.233 315 W CB 1.071 30.514 29.460 -0.029 0.000 1.358 315 W HN 0.323 nan 8.180 nan 0.000 0.574 316 L N 2.774 124.238 121.223 0.402 0.000 2.438 316 L HA 0.469 4.809 4.340 -0.000 0.000 0.270 316 L C 0.044 177.079 176.870 0.275 0.000 0.972 316 L CA -1.062 53.976 54.840 0.330 0.000 0.831 316 L CB 1.471 43.747 42.059 0.361 0.000 1.273 316 L HN 0.431 nan 8.230 nan 0.000 0.405 317 R N 2.297 122.922 120.500 0.208 0.000 2.643 317 R HA 0.079 4.419 4.340 -0.000 0.000 0.270 317 R C 1.013 177.338 176.300 0.042 0.000 1.061 317 R CA -0.013 56.143 56.100 0.092 0.000 1.107 317 R CB 0.915 31.262 30.300 0.078 0.000 0.999 317 R HN 0.641 nan 8.270 nan 0.000 0.460 318 R N 2.290 122.714 120.500 -0.126 0.000 2.091 318 R HA -0.098 4.242 4.340 -0.000 0.000 0.238 318 R C 0.374 176.726 176.300 0.086 0.000 1.136 318 R CA 1.304 57.333 56.100 -0.119 0.000 0.959 318 R CB -0.055 30.142 30.300 -0.172 0.000 0.856 318 R HN 0.501 nan 8.270 nan 0.000 0.437 319 I N 2.453 123.056 120.570 0.056 0.000 2.406 319 I HA -0.015 4.155 4.170 -0.000 0.000 0.293 319 I C 0.056 176.241 176.117 0.114 0.000 1.101 319 I CA 0.411 61.756 61.300 0.075 0.000 1.334 319 I CB 1.210 39.243 38.000 0.055 0.000 1.421 319 I HN 0.179 nan 8.210 nan 0.000 0.513 320 Q N 5.870 125.740 119.800 0.116 0.000 3.181 320 Q HA 0.068 4.408 4.340 -0.000 0.000 0.293 320 Q C 0.331 176.427 176.000 0.161 0.000 1.406 320 Q CA -0.159 55.732 55.803 0.147 0.000 1.026 320 Q CB -0.114 28.683 28.738 0.097 0.000 1.630 320 Q HN 0.688 nan 8.270 nan 0.000 0.553 321 N N -1.045 117.749 118.700 0.158 0.000 2.145 321 N HA -0.042 4.698 4.740 -0.000 0.000 0.219 321 N C -0.898 174.691 175.510 0.131 0.000 1.266 321 N CA -0.146 52.977 53.050 0.121 0.000 0.902 321 N CB 0.390 38.928 38.487 0.085 0.000 1.078 321 N HN 0.218 nan 8.380 nan 0.000 0.513 322 Y N 0.947 121.282 120.300 0.059 0.000 2.328 322 Y HA 0.574 5.124 4.550 -0.000 0.000 0.333 322 Y C -0.544 175.401 175.900 0.075 0.000 0.958 322 Y CA -0.837 57.294 58.100 0.053 0.000 1.167 322 Y CB 1.482 39.964 38.460 0.036 0.000 1.151 322 Y HN 0.023 nan 8.280 nan 0.000 0.470 323 S N 4.202 119.939 115.700 0.062 0.000 2.532 323 S HA 0.886 5.356 4.470 -0.000 0.000 0.301 323 S C -1.732 172.922 174.600 0.090 0.000 1.083 323 S CA -0.456 57.815 58.200 0.118 0.000 1.025 323 S CB 1.161 64.406 63.200 0.074 0.000 1.056 323 S HN 0.415 nan 8.310 nan 0.000 0.494 324 V N 4.968 124.974 119.914 0.155 0.000 2.760 324 V HA 0.526 4.646 4.120 -0.000 0.000 0.309 324 V C -0.522 175.647 176.094 0.124 0.000 1.077 324 V CA -0.667 61.712 62.300 0.132 0.000 0.910 324 V CB 1.948 33.869 31.823 0.163 0.000 1.008 324 V HN 0.968 nan 8.190 nan 0.000 0.424 325 M N 3.311 122.949 119.600 0.064 0.000 2.227 325 M HA 0.540 5.020 4.480 -0.000 0.000 0.335 325 M C -1.549 174.765 176.300 0.023 0.000 1.053 325 M CA -0.403 54.906 55.300 0.016 0.000 0.973 325 M CB 1.391 33.950 32.600 -0.068 0.000 1.623 325 M HN 0.610 nan 8.290 nan 0.000 0.434 326 D N 5.501 125.912 120.400 0.018 0.000 2.441 326 D HA 0.378 5.018 4.640 -0.000 0.000 0.231 326 D C -0.745 175.515 176.300 -0.067 0.000 1.073 326 D CA -0.221 53.775 54.000 -0.007 0.000 0.850 326 D CB 0.874 41.697 40.800 0.038 0.000 1.062 326 D HN 0.470 nan 8.370 nan 0.000 0.524 327 I N 2.079 122.621 120.570 -0.046 0.000 2.529 327 I HA 0.139 4.308 4.170 -0.000 0.000 0.284 327 I C 0.083 176.181 176.117 -0.032 0.000 1.082 327 I CA 0.047 61.318 61.300 -0.049 0.000 1.406 327 I CB 0.630 38.652 38.000 0.037 0.000 1.405 327 I HN 0.293 nan 8.210 nan 0.000 0.548 328 c N 4.798 123.374 118.600 -0.040 0.000 2.446 328 c HA 0.391 4.961 4.570 -0.000 0.000 0.329 328 c C -0.492 173.730 174.090 0.220 0.000 1.166 328 c CA -1.048 55.323 56.329 0.071 0.000 1.341 328 c CB 0.788 43.328 42.510 0.050 0.000 1.970 328 c HN 0.641 nan 8.230 nan 0.000 0.452 329 D N 0.721 121.234 120.400 0.189 0.000 2.253 329 D HA 0.232 4.872 4.640 -0.000 0.000 0.249 329 D C -0.707 175.561 176.300 -0.053 0.000 1.049 329 D CA -0.065 54.011 54.000 0.127 0.000 0.929 329 D CB 1.403 42.219 40.800 0.027 0.000 1.176 329 D HN 0.598 nan 8.370 nan 0.000 0.437 330 Y N 1.086 121.030 120.300 -0.594 0.000 2.304 330 Y HA 0.199 4.749 4.550 -0.000 0.000 0.328 330 Y C -0.424 175.143 175.900 -0.555 0.000 1.123 330 Y CA -0.427 56.955 58.100 -1.197 0.000 1.218 330 Y CB 0.939 38.547 38.460 -1.419 0.000 1.207 330 Y HN 0.152 nan 8.280 nan 0.000 0.495 331 D N 4.261 123.995 120.400 -1.111 0.000 2.453 331 D HA 0.217 4.857 4.640 -0.000 0.000 0.238 331 D C 0.097 175.853 176.300 -0.906 0.000 1.088 331 D CA -0.244 53.314 54.000 -0.737 0.000 0.854 331 D CB 0.953 41.498 40.800 -0.424 0.000 1.076 331 D HN 0.728 nan 8.370 nan 0.000 0.533 332 E N 0.899 120.717 120.200 -0.637 0.000 2.418 332 E HA -0.070 4.280 4.350 -0.000 0.000 0.197 332 E C 1.435 177.903 176.600 -0.220 0.000 1.026 332 E CA 0.319 56.488 56.400 -0.385 0.000 0.862 332 E CB 0.283 29.903 29.700 -0.134 0.000 0.799 332 E HN 0.348 nan 8.360 nan 0.000 0.518 333 S N 0.311 115.883 115.700 -0.212 0.000 2.400 333 S HA -0.150 4.320 4.470 -0.000 0.000 0.232 333 S C 1.929 176.462 174.600 -0.112 0.000 1.025 333 S CA 1.537 59.658 58.200 -0.131 0.000 0.993 333 S CB -0.020 63.109 63.200 -0.119 0.000 0.808 333 S HN 0.380 nan 8.310 nan 0.000 0.478 334 S N -1.574 114.035 115.700 -0.151 0.000 2.684 334 S HA 0.476 4.946 4.470 -0.000 0.000 0.268 334 S C 0.952 175.499 174.600 -0.089 0.000 1.075 334 S CA 0.356 58.499 58.200 -0.096 0.000 1.184 334 S CB 0.473 63.626 63.200 -0.078 0.000 1.129 334 S HN 0.846 nan 8.310 nan 0.000 0.630 335 G N 1.734 110.407 108.800 -0.212 0.000 2.291 335 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.271 335 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.271 335 G C -0.221 174.639 174.900 -0.068 0.000 1.099 335 G CA 0.189 45.205 45.100 -0.141 0.000 0.919 335 G HN 0.663 nan 8.290 nan 0.000 0.496 336 R N -1.718 118.580 120.500 -0.336 0.000 2.960 336 R HA 0.741 5.081 4.340 -0.000 0.000 0.249 336 R C -1.069 175.028 176.300 -0.338 0.000 1.192 336 R CA -1.152 54.867 56.100 -0.134 0.000 1.035 336 R CB 1.114 31.372 30.300 -0.071 0.000 1.234 336 R HN 0.166 nan 8.270 nan 0.000 0.493 337 W N 0.815 122.135 121.300 0.033 0.000 2.424 337 W HA 0.401 5.060 4.660 -0.000 0.000 0.318 337 W C -0.942 175.562 176.519 -0.026 0.000 1.016 337 W CA -0.505 56.851 57.345 0.018 0.000 1.268 337 W CB 1.411 30.888 29.460 0.028 0.000 1.297 337 W HN 0.362 nan 8.180 nan 0.000 0.428 338 N N 2.404 121.171 118.700 0.112 0.000 2.372 338 N HA 0.537 5.276 4.740 -0.000 0.000 0.291 338 N C -1.336 174.207 175.510 0.056 0.000 1.024 338 N CA -0.455 52.624 53.050 0.048 0.000 0.873 338 N CB 1.135 39.610 38.487 -0.020 0.000 1.206 338 N HN 0.156 nan 8.380 nan 0.000 0.486 339 c N 2.331 120.948 118.600 0.027 0.000 2.281 339 c HA 0.446 5.016 4.570 -0.000 0.000 0.323 339 c C 0.073 174.151 174.090 -0.020 0.000 1.270 339 c CA -0.930 55.402 56.329 0.006 0.000 1.559 339 c CB -0.472 42.033 42.510 -0.009 0.000 2.239 339 c HN 0.573 nan 8.230 nan 0.000 0.488 340 L N 3.904 125.115 121.223 -0.019 0.000 2.349 340 L HA 0.268 4.608 4.340 -0.000 0.000 0.275 340 L C 1.095 177.936 176.870 -0.049 0.000 1.115 340 L CA 0.391 55.212 54.840 -0.030 0.000 0.820 340 L CB 1.201 43.248 42.059 -0.020 0.000 1.135 340 L HN 0.676 nan 8.230 nan 0.000 0.445 341 V N 4.546 124.427 119.914 -0.054 0.000 2.626 341 V HA -0.189 3.931 4.120 -0.000 0.000 0.252 341 V C 2.165 178.212 176.094 -0.078 0.000 1.067 341 V CA 1.573 63.833 62.300 -0.066 0.000 1.081 341 V CB -1.398 30.390 31.823 -0.058 0.000 0.686 341 V HN 0.958 nan 8.190 nan 0.000 0.468 342 A N 0.447 123.227 122.820 -0.066 0.000 1.968 342 A HA -0.086 4.233 4.320 -0.000 0.000 0.217 342 A C 1.969 179.484 177.584 -0.115 0.000 1.169 342 A CA 0.810 52.803 52.037 -0.072 0.000 0.638 342 A CB -0.342 18.633 19.000 -0.041 0.000 0.812 342 A HN 0.527 nan 8.150 nan 0.000 0.446 343 R N 0.206 120.647 120.500 -0.098 0.000 4.609 343 R HA 0.197 4.537 4.340 -0.000 0.000 0.235 343 R C -0.168 176.007 176.300 -0.209 0.000 1.836 343 R CA 0.037 56.072 56.100 -0.109 0.000 1.564 343 R CB -0.294 30.000 30.300 -0.009 0.000 1.382 343 R HN 0.572 nan 8.270 nan 0.000 0.776 344 Q N 0.495 120.068 119.800 -0.378 0.000 2.305 344 Q HA 0.246 4.586 4.340 -0.000 0.000 0.271 344 Q C -1.500 174.193 176.000 -0.511 0.000 1.046 344 Q CA -0.881 54.725 55.803 -0.327 0.000 0.798 344 Q CB 1.471 30.117 28.738 -0.153 0.000 1.286 344 Q HN 0.424 nan 8.270 nan 0.000 0.435 345 H N 2.609 121.640 119.070 -0.065 0.000 2.538 345 H HA 0.490 5.046 4.556 -0.000 0.000 0.353 345 H C -0.802 174.487 175.328 -0.065 0.000 1.109 345 H CA -0.521 55.480 56.048 -0.077 0.000 1.192 345 H CB 1.582 31.224 29.762 -0.199 0.000 1.555 345 H HN 0.476 nan 8.280 nan 0.000 0.518 346 I N 1.876 122.470 120.570 0.041 0.000 2.359 346 I HA 0.166 4.336 4.170 -0.000 0.000 0.294 346 I C 0.033 176.095 176.117 -0.092 0.000 0.987 346 I CA -0.255 61.000 61.300 -0.076 0.000 1.225 346 I CB 1.346 39.249 38.000 -0.161 0.000 1.366 346 I HN 0.577 nan 8.210 nan 0.000 0.466 347 E N 8.007 128.128 120.200 -0.131 0.000 2.073 347 E HA 0.347 4.697 4.350 -0.000 0.000 0.269 347 E C -0.480 176.012 176.600 -0.179 0.000 0.917 347 E CA -0.668 55.679 56.400 -0.087 0.000 0.757 347 E CB 0.973 30.668 29.700 -0.009 0.000 1.111 347 E HN 0.538 nan 8.360 nan 0.000 0.410 348 M N 1.518 121.019 119.600 -0.166 0.000 2.219 348 M HA 0.542 5.022 4.480 -0.000 0.000 0.280 348 M C -0.223 176.024 176.300 -0.088 0.000 1.189 348 M CA -0.554 54.642 55.300 -0.172 0.000 1.010 348 M CB 1.474 33.996 32.600 -0.129 0.000 1.422 348 M HN 0.254 nan 8.290 nan 0.000 0.504 349 S N -0.390 115.265 115.700 -0.075 0.000 2.333 349 S HA 0.188 4.658 4.470 -0.000 0.000 0.250 349 S C 0.227 174.770 174.600 -0.096 0.000 0.959 349 S CA -0.058 58.084 58.200 -0.097 0.000 1.037 349 S CB 0.629 63.741 63.200 -0.146 0.000 1.215 349 S HN 1.019 nan 8.310 nan 0.000 0.410 350 T N 1.003 115.509 114.554 -0.081 0.000 2.812 350 T HA -0.091 4.259 4.350 -0.000 0.000 0.264 350 T C 2.001 176.641 174.700 -0.100 0.000 1.042 350 T CA 2.006 64.068 62.100 -0.062 0.000 1.140 350 T CB -0.987 67.858 68.868 -0.038 0.000 0.870 350 T HN 0.744 nan 8.240 nan 0.000 0.445 351 T N -1.028 113.438 114.554 -0.147 0.000 2.857 351 T HA 0.417 4.767 4.350 -0.000 0.000 0.266 351 T C 1.467 175.953 174.700 -0.357 0.000 1.048 351 T CA 0.730 62.725 62.100 -0.175 0.000 1.139 351 T CB -0.563 68.245 68.868 -0.100 0.000 0.874 351 T HN 0.665 nan 8.240 nan 0.000 0.455 352 G N 0.068 108.423 108.800 -0.742 0.000 3.310 352 G HA2 0.541 4.501 3.960 -0.000 0.000 0.174 352 G HA3 0.541 4.501 3.960 -0.000 0.000 0.174 352 G C -1.159 173.450 174.900 -0.484 0.000 1.097 352 G CA -0.604 43.866 45.100 -1.051 0.000 0.795 352 G HN 0.573 nan 8.290 nan 0.000 0.670 353 W N -0.991 120.053 121.300 -0.426 0.000 2.901 353 W HA 0.769 5.429 4.660 -0.000 0.000 0.436 353 W C -0.557 175.925 176.519 -0.062 0.000 1.613 353 W CA -1.362 55.892 57.345 -0.152 0.000 1.538 353 W CB 0.750 30.145 29.460 -0.108 0.000 1.983 353 W HN 0.406 nan 8.180 nan 0.000 0.692 354 V N 2.725 122.791 119.914 0.254 0.000 2.328 354 V HA 0.750 4.870 4.120 -0.000 0.000 0.278 354 V C 0.238 176.468 176.094 0.226 0.000 1.021 354 V CA 0.497 62.881 62.300 0.140 0.000 0.838 354 V CB 0.076 31.963 31.823 0.107 0.000 0.999 354 V HN 1.652 nan 8.190 nan 0.000 0.447 355 G N 6.478 115.352 108.800 0.123 0.000 2.710 355 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.668 355 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.668 355 G C 0.211 175.217 174.900 0.175 0.000 1.320 355 G CA 0.135 45.320 45.100 0.142 0.000 0.860 355 G HN 0.806 nan 8.290 nan 0.000 0.538 356 R N -0.985 119.582 120.500 0.113 0.000 2.055 356 R HA 0.172 4.512 4.340 -0.000 0.000 0.228 356 R C 2.107 178.333 176.300 -0.123 0.000 1.143 356 R CA 2.210 58.287 56.100 -0.039 0.000 0.945 356 R CB -0.140 30.101 30.300 -0.098 0.000 0.841 356 R HN 0.463 nan 8.270 nan 0.000 0.429 357 F N -0.867 119.252 119.950 0.281 0.000 2.699 357 F HA 0.240 4.767 4.527 -0.000 0.000 0.295 357 F C 0.372 176.260 175.800 0.146 0.000 1.052 357 F CA -0.412 57.722 58.000 0.224 0.000 1.239 357 F CB 0.611 39.740 39.000 0.216 0.000 1.018 357 F HN -0.111 nan 8.300 nan 0.000 0.627 358 R N -0.371 120.326 120.500 0.329 0.000 2.643 358 R HA 0.517 4.857 4.340 -0.000 0.000 0.269 358 R C -3.248 173.169 176.300 0.196 0.000 1.037 358 R CA -1.989 54.243 56.100 0.219 0.000 0.894 358 R CB 0.530 30.941 30.300 0.185 0.000 1.238 358 R HN -0.320 nan 8.270 nan 0.000 0.459 359 P HA -0.129 nan 4.420 nan 0.000 0.264 359 P C -0.191 177.179 177.300 0.116 0.000 1.173 359 P CA 0.332 63.505 63.100 0.121 0.000 0.761 359 P CB 0.599 32.354 31.700 0.090 0.000 0.794 360 S N 2.247 118.017 115.700 0.117 0.000 2.563 360 S HA 0.020 4.490 4.470 -0.000 0.000 0.284 360 S C 0.249 174.903 174.600 0.090 0.000 1.331 360 S CA -0.526 57.751 58.200 0.129 0.000 1.047 360 S CB -0.020 63.269 63.200 0.148 0.000 0.859 360 S HN 0.451 nan 8.310 nan 0.000 0.514 361 E N 4.488 124.747 120.200 0.099 0.000 2.283 361 E HA 0.474 4.824 4.350 -0.000 0.000 0.278 361 E C -2.916 173.710 176.600 0.042 0.000 1.027 361 E CA -2.338 54.080 56.400 0.031 0.000 0.843 361 E CB 0.572 30.282 29.700 0.017 0.000 1.062 361 E HN 0.354 nan 8.360 nan 0.000 0.401 362 P HA 0.302 nan 4.420 nan 0.000 0.282 362 P C -0.797 176.476 177.300 -0.045 0.000 1.259 362 P CA -0.377 62.713 63.100 -0.016 0.000 0.826 362 P CB 0.657 32.155 31.700 -0.336 0.000 1.064 363 H N 1.332 120.492 119.070 0.151 0.000 2.860 363 H HA 0.301 4.857 4.556 -0.000 0.000 0.312 363 H C -0.568 174.903 175.328 0.238 0.000 0.995 363 H CA -0.265 55.926 56.048 0.240 0.000 1.311 363 H CB 0.269 30.157 29.762 0.210 0.000 1.478 363 H HN 0.296 nan 8.280 nan 0.000 0.508 364 F N 1.584 121.711 119.950 0.294 0.000 2.375 364 F HA 0.120 4.646 4.527 -0.000 0.000 0.333 364 F C 1.443 177.402 175.800 0.265 0.000 1.104 364 F CA -0.275 57.893 58.000 0.280 0.000 1.149 364 F CB 0.934 40.050 39.000 0.193 0.000 1.190 364 F HN 0.276 nan 8.300 nan 0.000 0.533 365 T N 2.844 117.641 114.554 0.405 0.000 2.766 365 T HA 0.064 4.414 4.350 -0.000 0.000 0.295 365 T C 1.295 176.159 174.700 0.274 0.000 1.024 365 T CA -0.751 61.537 62.100 0.313 0.000 1.018 365 T CB 0.687 69.718 68.868 0.272 0.000 1.002 365 T HN 0.547 nan 8.240 nan 0.000 0.532 366 L N 1.636 122.985 121.223 0.211 0.000 2.034 366 L HA -0.233 4.107 4.340 -0.000 0.000 0.217 366 L C 2.258 179.230 176.870 0.170 0.000 1.077 366 L CA 2.352 57.295 54.840 0.171 0.000 0.769 366 L CB -1.002 41.137 42.059 0.133 0.000 0.890 366 L HN 0.891 nan 8.230 nan 0.000 0.435 367 D N -1.391 119.111 120.400 0.171 0.000 2.117 367 D HA -0.041 4.599 4.640 -0.000 0.000 0.198 367 D C 1.719 178.132 176.300 0.188 0.000 0.982 367 D CA 1.182 55.277 54.000 0.159 0.000 0.828 367 D CB -0.761 40.124 40.800 0.142 0.000 0.967 367 D HN 0.497 nan 8.370 nan 0.000 0.464 368 G N 0.440 109.394 108.800 0.256 0.000 2.132 368 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.228 368 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.228 368 G C 0.369 175.478 174.900 0.349 0.000 1.000 368 G CA 0.292 45.591 45.100 0.332 0.000 0.693 368 G HN 0.389 nan 8.290 nan 0.000 0.515 369 N N 0.060 118.923 118.700 0.273 0.000 2.214 369 N HA 0.423 5.163 4.740 -0.000 0.000 0.214 369 N C 0.084 175.703 175.510 0.181 0.000 1.132 369 N CA 0.804 53.988 53.050 0.223 0.000 0.856 369 N CB 1.166 39.744 38.487 0.153 0.000 1.020 369 N HN 0.439 nan 8.380 nan 0.000 0.509 370 S N 0.194 116.006 115.700 0.187 0.000 2.543 370 S HA 0.643 5.113 4.470 -0.000 0.000 0.273 370 S C -1.848 172.679 174.600 -0.122 0.000 1.152 370 S CA -0.855 57.291 58.200 -0.089 0.000 0.910 370 S CB 0.267 63.410 63.200 -0.094 0.000 1.105 370 S HN 0.161 nan 8.310 nan 0.000 0.465 371 F N 2.082 121.689 119.950 -0.571 0.000 2.626 371 F HA 0.822 5.349 4.527 -0.000 0.000 0.311 371 F C -2.081 173.392 175.800 -0.545 0.000 1.088 371 F CA -1.201 56.401 58.000 -0.663 0.000 0.949 371 F CB 0.710 38.830 39.000 -1.467 0.000 1.322 371 F HN 0.488 nan 8.300 nan 0.000 0.461 372 Y N 1.298 121.565 120.300 -0.056 0.000 2.446 372 Y HA 0.679 5.229 4.550 -0.000 0.000 0.338 372 Y C -0.516 175.515 175.900 0.218 0.000 1.055 372 Y CA -0.727 57.374 58.100 0.000 0.000 1.101 372 Y CB 2.253 40.736 38.460 0.039 0.000 1.221 372 Y HN 0.731 nan 8.280 nan 0.000 0.460 373 K N 0.905 121.516 120.400 0.350 0.000 2.568 373 K HA 0.645 4.964 4.320 -0.000 0.000 0.273 373 K C -2.001 174.743 176.600 0.240 0.000 0.951 373 K CA -0.734 55.741 56.287 0.313 0.000 0.854 373 K CB 1.596 34.284 32.500 0.314 0.000 1.424 373 K HN 0.546 nan 8.250 nan 0.000 0.427 374 I N 2.856 123.545 120.570 0.199 0.000 2.325 374 I HA 0.355 4.525 4.170 -0.000 0.000 0.291 374 I C -0.700 175.503 176.117 0.144 0.000 1.019 374 I CA -0.715 60.675 61.300 0.152 0.000 1.302 374 I CB 0.526 38.602 38.000 0.127 0.000 1.401 374 I HN 0.496 nan 8.210 nan 0.000 0.485 375 I N 3.824 124.484 120.570 0.152 0.000 3.074 375 I HA 0.342 4.512 4.170 -0.000 0.000 0.310 375 I C -0.004 176.164 176.117 0.085 0.000 1.153 375 I CA -0.652 60.729 61.300 0.136 0.000 0.993 375 I CB 1.993 40.113 38.000 0.200 0.000 1.237 375 I HN 0.467 nan 8.210 nan 0.000 0.443 376 S N 1.777 117.493 115.700 0.026 0.000 2.528 376 S HA 0.403 4.873 4.470 -0.000 0.000 0.277 376 S C -0.127 174.449 174.600 -0.040 0.000 1.297 376 S CA -0.796 57.371 58.200 -0.055 0.000 1.052 376 S CB 0.088 63.225 63.200 -0.105 0.000 0.917 376 S HN 0.684 nan 8.310 nan 0.000 0.492 377 N N 1.630 120.194 118.700 -0.228 0.000 2.322 377 N HA 0.032 4.772 4.740 -0.000 0.000 0.270 377 N C 1.219 176.637 175.510 -0.153 0.000 1.286 377 N CA -0.283 52.484 53.050 -0.473 0.000 0.948 377 N CB 0.097 37.913 38.487 -1.117 0.000 1.164 377 N HN 0.741 nan 8.380 nan 0.000 0.551 378 E N -0.381 119.765 120.200 -0.090 0.000 2.160 378 E HA -0.297 4.053 4.350 -0.000 0.000 0.195 378 E C -0.110 176.460 176.600 -0.050 0.000 0.991 378 E CA 1.644 58.035 56.400 -0.015 0.000 0.810 378 E CB -0.560 29.154 29.700 0.024 0.000 0.742 378 E HN 0.927 nan 8.360 nan 0.000 0.466 379 E N -0.308 119.846 120.200 -0.077 0.000 2.542 379 E HA 0.418 4.768 4.350 -0.000 0.000 0.224 379 E C 0.842 177.428 176.600 -0.024 0.000 1.110 379 E CA 0.049 56.428 56.400 -0.035 0.000 1.350 379 E CB 0.405 30.097 29.700 -0.013 0.000 1.302 379 E HN 0.276 nan 8.360 nan 0.000 0.435 380 G N 0.831 109.565 108.800 -0.110 0.000 2.498 380 G HA2 -0.365 3.595 3.960 -0.000 0.000 0.229 380 G HA3 -0.365 3.595 3.960 -0.000 0.000 0.229 380 G C -0.062 174.644 174.900 -0.322 0.000 1.156 380 G CA 0.238 45.192 45.100 -0.243 0.000 0.680 380 G HN 0.404 nan 8.290 nan 0.000 0.512 381 Y N 1.877 122.069 120.300 -0.181 0.000 2.397 381 Y HA 0.542 5.092 4.550 -0.000 0.000 0.335 381 Y C 1.506 177.257 175.900 -0.248 0.000 1.213 381 Y CA -0.121 57.856 58.100 -0.205 0.000 1.391 381 Y CB 0.544 38.914 38.460 -0.151 0.000 1.293 381 Y HN 0.144 nan 8.280 nan 0.000 0.557 382 R N 3.704 124.069 120.500 -0.225 0.000 2.202 382 R HA 0.303 4.643 4.340 -0.000 0.000 0.334 382 R C -0.836 175.158 176.300 -0.511 0.000 1.036 382 R CA -0.346 55.603 56.100 -0.250 0.000 0.878 382 R CB 0.319 30.529 30.300 -0.150 0.000 1.067 382 R HN 0.687 nan 8.270 nan 0.000 0.457 383 H N 1.829 120.808 119.070 -0.151 0.000 2.949 383 H HA 0.378 4.934 4.556 -0.000 0.000 0.356 383 H C 0.061 175.375 175.328 -0.024 0.000 1.212 383 H CA -0.916 55.023 56.048 -0.182 0.000 1.136 383 H CB 1.779 31.328 29.762 -0.355 0.000 1.869 383 H HN 0.305 nan 8.280 nan 0.000 0.556 384 I N 0.947 121.557 120.570 0.067 0.000 2.519 384 I HA 0.102 4.272 4.170 -0.000 0.000 0.287 384 I C 0.265 176.435 176.117 0.089 0.000 1.047 384 I CA -0.023 61.309 61.300 0.053 0.000 1.381 384 I CB 0.645 38.598 38.000 -0.078 0.000 1.417 384 I HN 0.143 nan 8.210 nan 0.000 0.540 385 c N 6.355 124.970 118.600 0.025 0.000 2.396 385 c HA 0.367 4.937 4.570 -0.000 0.000 0.321 385 c C -0.324 173.531 174.090 -0.392 0.000 1.233 385 c CA -0.609 55.570 56.329 -0.249 0.000 1.440 385 c CB 0.828 43.065 42.510 -0.455 0.000 2.110 385 c HN 0.691 nan 8.230 nan 0.000 0.473 386 Y N 4.461 124.395 120.300 -0.609 0.000 2.359 386 Y HA 0.573 5.123 4.550 -0.000 0.000 0.334 386 Y C -0.889 174.494 175.900 -0.863 0.000 1.058 386 Y CA 0.139 57.783 58.100 -0.759 0.000 1.244 386 Y CB 0.280 38.407 38.460 -0.555 0.000 1.187 386 Y HN 0.629 nan 8.280 nan 0.000 0.510 387 F N 5.022 124.160 119.950 -1.354 0.000 2.493 387 F HA 0.339 4.866 4.527 -0.000 0.000 0.329 387 F C -0.072 175.054 175.800 -1.122 0.000 1.126 387 F CA -0.794 56.488 58.000 -1.197 0.000 0.937 387 F CB 1.674 39.578 39.000 -1.825 0.000 1.146 387 F HN 0.440 nan 8.300 nan 0.000 0.442 388 Q N 3.398 123.002 119.800 -0.325 0.000 2.227 388 Q HA 0.401 4.741 4.340 -0.000 0.000 0.245 388 Q C 0.768 176.804 176.000 0.060 0.000 0.926 388 Q CA -0.371 55.355 55.803 -0.128 0.000 0.895 388 Q CB 1.326 30.071 28.738 0.012 0.000 1.230 388 Q HN 0.782 nan 8.270 nan 0.000 0.450 389 I N 1.949 122.607 120.570 0.148 0.000 3.550 389 I HA -0.132 4.038 4.170 -0.000 0.000 0.295 389 I C -0.007 176.234 176.117 0.207 0.000 1.291 389 I CA 0.642 62.112 61.300 0.285 0.000 1.298 389 I CB -0.117 38.055 38.000 0.287 0.000 1.026 389 I HN 0.566 nan 8.210 nan 0.000 0.491 390 D N 0.328 120.820 120.400 0.154 0.000 2.469 390 D HA 0.018 4.658 4.640 -0.000 0.000 0.240 390 D C 0.328 176.671 176.300 0.072 0.000 1.087 390 D CA 0.112 54.161 54.000 0.082 0.000 0.876 390 D CB 0.344 41.181 40.800 0.060 0.000 1.160 390 D HN 0.220 nan 8.370 nan 0.000 0.497 391 K N 0.567 121.046 120.400 0.131 0.000 2.213 391 K HA 0.392 4.712 4.320 -0.000 0.000 0.270 391 K C 0.641 177.365 176.600 0.205 0.000 1.002 391 K CA -0.820 55.535 56.287 0.114 0.000 0.868 391 K CB 2.412 34.955 32.500 0.073 0.000 1.093 391 K HN -0.282 nan 8.250 nan 0.000 0.454 392 K N 2.066 122.542 120.400 0.126 0.000 2.074 392 K HA -0.131 4.189 4.320 -0.000 0.000 0.209 392 K C -0.244 176.498 176.600 0.236 0.000 1.048 392 K CA 1.669 58.056 56.287 0.168 0.000 0.926 392 K CB -0.027 32.508 32.500 0.060 0.000 0.713 392 K HN 0.817 nan 8.250 nan 0.000 0.444 393 D N -0.472 119.992 120.400 0.107 0.000 2.383 393 D HA 0.194 4.834 4.640 -0.000 0.000 0.248 393 D C -0.289 175.926 176.300 -0.140 0.000 1.170 393 D CA 0.284 54.281 54.000 -0.005 0.000 0.977 393 D CB 1.291 42.056 40.800 -0.058 0.000 1.120 393 D HN 0.490 nan 8.370 nan 0.000 0.481 394 c N -1.372 116.991 118.600 -0.395 0.000 3.170 394 c HA 0.724 5.293 4.570 -0.000 0.000 0.319 394 c C -0.283 173.389 174.090 -0.696 0.000 1.260 394 c CA -0.873 55.029 56.329 -0.712 0.000 1.374 394 c CB 1.022 42.588 42.510 -1.572 0.000 1.739 394 c HN 0.645 nan 8.230 nan 0.000 0.479 395 T N -0.185 114.020 114.554 -0.581 0.000 2.829 395 T HA 0.678 5.028 4.350 -0.000 0.000 0.282 395 T C -0.626 173.753 174.700 -0.535 0.000 0.990 395 T CA -0.274 61.520 62.100 -0.509 0.000 1.028 395 T CB 0.599 69.317 68.868 -0.251 0.000 0.951 395 T HN 0.551 nan 8.240 nan 0.000 0.460 396 F N 2.643 122.465 119.950 -0.213 0.000 2.495 396 F HA 0.298 4.825 4.527 -0.000 0.000 0.365 396 F C 1.493 177.146 175.800 -0.243 0.000 1.090 396 F CA -1.410 56.456 58.000 -0.223 0.000 1.235 396 F CB 0.244 39.111 39.000 -0.221 0.000 1.119 396 F HN 0.621 nan 8.300 nan 0.000 0.562 397 I N -1.243 119.257 120.570 -0.118 0.000 3.883 397 I HA 0.221 4.391 4.170 -0.000 0.000 0.326 397 I C 0.344 176.344 176.117 -0.195 0.000 1.283 397 I CA 0.097 61.222 61.300 -0.292 0.000 1.161 397 I CB -0.655 36.961 38.000 -0.641 0.000 1.012 397 I HN 0.423 nan 8.210 nan 0.000 0.421 398 T N -1.072 113.393 114.554 -0.149 0.000 2.906 398 T HA 0.687 5.037 4.350 -0.000 0.000 0.295 398 T C -0.696 173.669 174.700 -0.559 0.000 1.061 398 T CA -0.769 61.221 62.100 -0.183 0.000 1.000 398 T CB 2.738 71.558 68.868 -0.079 0.000 1.103 398 T HN 0.210 nan 8.240 nan 0.000 0.486 399 K N 0.352 120.306 120.400 -0.743 0.000 2.556 399 K HA 0.697 5.017 4.320 -0.000 0.000 0.274 399 K C -0.604 175.441 176.600 -0.925 0.000 0.966 399 K CA 0.002 55.679 56.287 -1.017 0.000 0.865 399 K CB 1.810 34.040 32.500 -0.450 0.000 1.444 399 K HN 1.542 nan 8.250 nan 0.000 0.433 400 G N 0.314 108.598 108.800 -0.859 0.000 2.362 400 G HA2 -0.094 3.866 3.960 -0.000 0.000 0.656 400 G HA3 -0.094 3.866 3.960 -0.000 0.000 0.656 400 G C -0.407 174.025 174.900 -0.779 0.000 1.376 400 G CA -0.159 44.599 45.100 -0.569 0.000 0.971 400 G HN 0.712 nan 8.290 nan 0.000 0.636 401 T N -0.317 113.879 114.554 -0.598 0.000 4.320 401 T HA 0.486 4.836 4.350 -0.000 0.000 0.221 401 T C 0.283 174.658 174.700 -0.542 0.000 0.896 401 T CA 0.833 62.261 62.100 -1.121 0.000 0.928 401 T CB -1.013 67.529 68.868 -0.543 0.000 1.369 401 T HN 1.651 nan 8.240 nan 0.000 0.836 402 W N -0.508 120.530 121.300 -0.438 0.000 3.153 402 W HA 0.596 5.256 4.660 -0.000 0.000 0.316 402 W C -1.368 175.169 176.519 0.029 0.000 1.255 402 W CA -0.968 56.364 57.345 -0.021 0.000 1.192 402 W CB 0.674 30.144 29.460 0.016 0.000 1.400 402 W HN 0.122 nan 8.180 nan 0.000 0.568 403 E N 1.137 121.516 120.200 0.298 0.000 2.202 403 E HA 0.446 4.795 4.350 -0.000 0.000 0.272 403 E C -0.773 175.949 176.600 0.203 0.000 0.951 403 E CA -1.174 55.227 56.400 0.000 0.000 0.813 403 E CB 3.233 32.988 29.700 0.092 0.000 1.151 403 E HN 0.186 nan 8.360 nan 0.000 0.398 404 V N 4.454 124.370 119.914 0.003 0.000 2.455 404 V HA -0.012 4.108 4.120 -0.000 0.000 0.273 404 V C 1.306 177.523 176.094 0.205 0.000 1.045 404 V CA -0.095 62.343 62.300 0.231 0.000 0.976 404 V CB 0.591 32.468 31.823 0.091 0.000 0.993 404 V HN 0.681 nan 8.190 nan 0.000 0.475 405 I N 3.380 124.085 120.570 0.225 0.000 2.277 405 I HA 0.187 4.357 4.170 -0.000 0.000 0.243 405 I C 1.155 177.395 176.117 0.204 0.000 1.094 405 I CA 1.289 62.701 61.300 0.188 0.000 1.393 405 I CB -0.945 37.080 38.000 0.042 0.000 1.078 405 I HN 0.751 nan 8.210 nan 0.000 0.417 406 G N 0.499 109.416 108.800 0.195 0.000 2.702 406 G HA2 0.529 4.489 3.960 -0.000 0.000 0.296 406 G HA3 0.529 4.489 3.960 -0.000 0.000 0.296 406 G C -1.150 173.864 174.900 0.191 0.000 1.463 406 G CA -0.609 44.609 45.100 0.197 0.000 0.890 406 G HN -0.012 nan 8.290 nan 0.000 0.534 407 I N 1.795 122.463 120.570 0.163 0.000 2.396 407 I HA 0.210 4.380 4.170 -0.000 0.000 0.289 407 I C 0.816 176.905 176.117 -0.046 0.000 1.056 407 I CA -0.400 60.922 61.300 0.037 0.000 1.365 407 I CB 1.449 39.403 38.000 -0.078 0.000 1.407 407 I HN 0.500 nan 8.210 nan 0.000 0.509 408 E N 4.840 125.021 120.200 -0.032 0.000 2.206 408 E HA 0.310 4.660 4.350 -0.000 0.000 0.195 408 E C 0.239 176.748 176.600 -0.152 0.000 0.935 408 E CA 0.334 56.744 56.400 0.017 0.000 0.875 408 E CB 0.627 30.422 29.700 0.160 0.000 0.841 408 E HN 0.691 nan 8.360 nan 0.000 0.477 409 A N 0.603 123.242 122.820 -0.301 0.000 2.572 409 A HA 0.722 5.042 4.320 -0.000 0.000 0.295 409 A C -1.658 175.801 177.584 -0.207 0.000 1.072 409 A CA -0.587 51.176 52.037 -0.458 0.000 0.691 409 A CB 1.458 19.641 19.000 -1.361 0.000 1.291 409 A HN 0.105 nan 8.150 nan 0.000 0.404 410 L N 1.788 122.937 121.223 -0.123 0.000 2.476 410 L HA 0.701 5.041 4.340 -0.000 0.000 0.269 410 L C -0.019 176.878 176.870 0.046 0.000 0.965 410 L CA -0.104 54.725 54.840 -0.017 0.000 0.845 410 L CB 2.117 44.196 42.059 0.032 0.000 1.259 410 L HN 1.089 nan 8.230 nan 0.000 0.403 411 T N -0.694 113.907 114.554 0.079 0.000 2.841 411 T HA 0.350 4.700 4.350 -0.000 0.000 0.276 411 T C 0.869 175.613 174.700 0.072 0.000 1.003 411 T CA -0.286 61.864 62.100 0.083 0.000 0.995 411 T CB 1.582 70.515 68.868 0.108 0.000 1.260 411 T HN 0.429 nan 8.240 nan 0.000 0.581 412 S N 0.164 115.894 115.700 0.051 0.000 2.474 412 S HA -0.019 4.451 4.470 -0.000 0.000 0.235 412 S C 0.626 175.204 174.600 -0.037 0.000 0.997 412 S CA 1.316 59.536 58.200 0.033 0.000 0.949 412 S CB -0.462 62.754 63.200 0.027 0.000 0.766 412 S HN 0.785 nan 8.310 nan 0.000 0.517 413 D N -1.571 118.761 120.400 -0.114 0.000 2.514 413 D HA 0.235 4.875 4.640 -0.000 0.000 0.249 413 D C -0.191 175.799 176.300 -0.516 0.000 1.036 413 D CA 0.389 54.169 54.000 -0.366 0.000 0.911 413 D CB 0.362 40.844 40.800 -0.530 0.000 1.145 413 D HN 0.344 nan 8.370 nan 0.000 0.495 414 Y N 0.028 120.310 120.300 -0.030 0.000 2.545 414 Y HA 0.478 5.028 4.550 -0.000 0.000 0.348 414 Y C -0.935 174.828 175.900 -0.229 0.000 1.002 414 Y CA -1.387 56.604 58.100 -0.181 0.000 1.039 414 Y CB 2.487 40.732 38.460 -0.359 0.000 1.271 414 Y HN -0.210 nan 8.280 nan 0.000 0.467 415 L N 3.508 124.636 121.223 -0.159 0.000 2.349 415 L HA 0.509 4.848 4.340 -0.000 0.000 0.278 415 L C -1.940 174.781 176.870 -0.249 0.000 0.996 415 L CA -0.713 53.993 54.840 -0.224 0.000 0.825 415 L CB 0.746 42.584 42.059 -0.369 0.000 1.243 415 L HN 0.702 nan 8.230 nan 0.000 0.412 416 Y N 5.432 125.676 120.300 -0.093 0.000 2.387 416 Y HA 0.574 5.124 4.550 -0.000 0.000 0.336 416 Y C -0.327 175.608 175.900 0.059 0.000 1.067 416 Y CA -0.460 57.612 58.100 -0.047 0.000 1.114 416 Y CB 1.690 40.066 38.460 -0.140 0.000 1.208 416 Y HN 0.554 nan 8.280 nan 0.000 0.458 417 Y N -0.040 120.304 120.300 0.072 0.000 2.519 417 Y HA 0.721 5.270 4.550 -0.000 0.000 0.336 417 Y C -1.738 174.154 175.900 -0.014 0.000 1.089 417 Y CA -1.747 56.377 58.100 0.041 0.000 1.025 417 Y CB 0.850 39.350 38.460 0.066 0.000 1.318 417 Y HN 0.447 nan 8.280 nan 0.000 0.452 418 I N 3.589 124.158 120.570 -0.002 0.000 2.396 418 I HA 0.575 4.744 4.170 -0.000 0.000 0.292 418 I C 0.083 176.168 176.117 -0.054 0.000 0.999 418 I CA -0.355 60.833 61.300 -0.187 0.000 1.310 418 I CB 1.709 39.624 38.000 -0.141 0.000 1.404 418 I HN 0.780 nan 8.210 nan 0.000 0.496 419 S N 3.686 119.235 115.700 -0.251 0.000 2.607 419 S HA 0.376 4.845 4.470 -0.000 0.000 0.273 419 S C -0.601 173.928 174.600 -0.119 0.000 1.148 419 S CA -0.879 57.331 58.200 0.017 0.000 0.833 419 S CB 1.534 64.992 63.200 0.430 0.000 1.130 419 S HN 0.690 nan 8.310 nan 0.000 0.470 420 N N 1.189 119.919 118.700 0.050 0.000 2.380 420 N HA 0.171 4.911 4.740 -0.000 0.000 0.255 420 N C 0.451 175.959 175.510 -0.004 0.000 1.158 420 N CA -0.342 52.693 53.050 -0.025 0.000 0.878 420 N CB 0.432 38.899 38.487 -0.033 0.000 1.138 420 N HN 0.787 nan 8.380 nan 0.000 0.509 421 E N -0.067 120.051 120.200 -0.136 0.000 2.086 421 E HA -0.114 4.236 4.350 -0.000 0.000 0.190 421 E C -0.397 176.065 176.600 -0.230 0.000 0.975 421 E CA -0.122 55.990 56.400 -0.480 0.000 0.813 421 E CB -0.070 28.687 29.700 -1.571 0.000 0.768 421 E HN 0.474 nan 8.360 nan 0.000 0.457 422 Y N 2.535 122.717 120.300 -0.197 0.000 2.852 422 Y HA -0.188 4.362 4.550 -0.000 0.000 0.343 422 Y C 0.207 176.039 175.900 -0.114 0.000 1.280 422 Y CA 0.993 59.017 58.100 -0.127 0.000 1.604 422 Y CB 0.057 38.469 38.460 -0.080 0.000 1.216 422 Y HN 0.103 nan 8.280 nan 0.000 0.541 423 K N 3.330 123.438 120.400 -0.486 0.000 3.274 423 K HA -0.257 4.063 4.320 -0.000 0.000 0.300 423 K C 0.854 177.368 176.600 -0.144 0.000 1.230 423 K CA 0.686 56.758 56.287 -0.357 0.000 0.884 423 K CB -2.014 30.239 32.500 -0.412 0.000 1.242 423 K HN 1.251 nan 8.250 nan 0.000 0.467 424 G N 0.568 109.294 108.800 -0.123 0.000 2.153 424 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.252 424 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.252 424 G C 0.058 174.922 174.900 -0.060 0.000 0.994 424 G CA 0.771 45.850 45.100 -0.034 0.000 0.698 424 G HN 0.312 nan 8.290 nan 0.000 0.521 425 M N 0.335 119.808 119.600 -0.211 0.000 2.080 425 M HA 0.283 4.763 4.480 -0.000 0.000 0.350 425 M C -1.401 174.647 176.300 -0.420 0.000 1.173 425 M CA -1.963 53.016 55.300 -0.536 0.000 1.052 425 M CB 1.712 34.042 32.600 -0.450 0.000 1.577 425 M HN -0.130 nan 8.290 nan 0.000 0.455 426 P HA 0.006 nan 4.420 nan 0.000 0.225 426 P C 1.172 178.332 177.300 -0.232 0.000 1.156 426 P CA 0.753 63.708 63.100 -0.242 0.000 0.787 426 P CB 0.217 31.822 31.700 -0.159 0.000 0.802 427 G N -0.728 107.869 108.800 -0.337 0.000 2.985 427 G HA2 0.209 4.169 3.960 -0.000 0.000 0.209 427 G HA3 0.209 4.169 3.960 -0.000 0.000 0.209 427 G C 0.694 175.586 174.900 -0.013 0.000 1.165 427 G CA 0.079 45.099 45.100 -0.133 0.000 0.776 427 G HN 0.374 nan 8.290 nan 0.000 0.541 428 G N -0.229 108.492 108.800 -0.132 0.000 2.434 428 G HA2 0.620 4.580 3.960 -0.000 0.000 0.330 428 G HA3 0.620 4.580 3.960 -0.000 0.000 0.330 428 G C -0.724 174.004 174.900 -0.286 0.000 1.155 428 G CA -0.769 44.270 45.100 -0.102 0.000 0.917 428 G HN 0.084 nan 8.290 nan 0.000 0.493 429 R N 0.756 121.022 120.500 -0.389 0.000 2.532 429 R HA 0.355 4.695 4.340 -0.000 0.000 0.297 429 R C -1.232 174.879 176.300 -0.316 0.000 0.984 429 R CA -0.690 55.118 56.100 -0.486 0.000 0.884 429 R CB 2.040 31.824 30.300 -0.859 0.000 1.182 429 R HN 0.700 nan 8.270 nan 0.000 0.442 430 N N 0.873 119.306 118.700 -0.444 0.000 2.242 430 N HA 0.347 5.087 4.740 -0.000 0.000 0.292 430 N C -1.509 173.474 175.510 -0.878 0.000 1.125 430 N CA -0.795 51.889 53.050 -0.610 0.000 0.783 430 N CB 2.129 40.221 38.487 -0.658 0.000 1.558 430 N HN 0.188 nan 8.380 nan 0.000 0.472 431 L N 2.959 123.715 121.223 -0.779 0.000 2.265 431 L HA 0.460 4.800 4.340 -0.000 0.000 0.288 431 L C -1.589 174.890 176.870 -0.652 0.000 1.058 431 L CA -0.186 54.253 54.840 -0.667 0.000 0.809 431 L CB -0.362 41.399 42.059 -0.497 0.000 1.179 431 L HN 0.439 nan 8.230 nan 0.000 0.429 432 Y N 4.132 124.092 120.300 -0.567 0.000 2.377 432 Y HA 0.463 5.013 4.550 -0.000 0.000 0.339 432 Y C 0.150 175.787 175.900 -0.438 0.000 1.011 432 Y CA -1.039 56.709 58.100 -0.587 0.000 1.093 432 Y CB 1.255 39.183 38.460 -0.887 0.000 1.201 432 Y HN 0.484 nan 8.280 nan 0.000 0.455 433 K N 4.323 124.627 120.400 -0.161 0.000 2.234 433 K HA 0.506 4.826 4.320 -0.000 0.000 0.277 433 K C -1.294 175.190 176.600 -0.195 0.000 1.038 433 K CA -0.450 55.618 56.287 -0.364 0.000 0.888 433 K CB 0.730 32.941 32.500 -0.480 0.000 1.091 433 K HN 0.825 nan 8.250 nan 0.000 0.467 434 I N 4.471 124.977 120.570 -0.106 0.000 2.355 434 I HA 0.120 4.290 4.170 -0.000 0.000 0.288 434 I C -0.208 176.010 176.117 0.168 0.000 0.999 434 I CA -0.593 60.758 61.300 0.085 0.000 1.163 434 I CB 1.346 39.465 38.000 0.199 0.000 1.316 434 I HN 0.622 nan 8.210 nan 0.000 0.454 435 Q N 5.774 125.718 119.800 0.240 0.000 2.255 435 Q HA 0.003 4.342 4.340 -0.000 0.000 0.280 435 Q C 0.762 176.869 176.000 0.178 0.000 1.068 435 Q CA -0.178 55.797 55.803 0.286 0.000 0.911 435 Q CB 1.276 30.131 28.738 0.195 0.000 1.157 435 Q HN 0.667 nan 8.270 nan 0.000 0.380 436 L N 2.735 124.010 121.223 0.087 0.000 2.079 436 L HA -0.264 4.076 4.340 -0.000 0.000 0.210 436 L C 2.418 179.170 176.870 -0.197 0.000 1.081 436 L CA 2.134 57.017 54.840 0.073 0.000 0.752 436 L CB -0.830 41.256 42.059 0.044 0.000 0.896 436 L HN 0.719 nan 8.230 nan 0.000 0.433 437 S N -1.985 113.602 115.700 -0.187 0.000 2.338 437 S HA -0.106 4.364 4.470 -0.000 0.000 0.218 437 S C 0.994 175.412 174.600 -0.304 0.000 1.032 437 S CA 0.807 58.867 58.200 -0.233 0.000 0.999 437 S CB -0.246 62.863 63.200 -0.152 0.000 0.905 437 S HN 0.372 nan 8.310 nan 0.000 0.439 438 D N -0.119 120.172 120.400 -0.182 0.000 2.453 438 D HA 0.331 4.971 4.640 -0.000 0.000 0.238 438 D C -0.388 175.907 176.300 -0.009 0.000 1.088 438 D CA -0.700 53.219 54.000 -0.135 0.000 0.854 438 D CB 0.697 41.465 40.800 -0.053 0.000 1.076 438 D HN 0.122 nan 8.370 nan 0.000 0.533 439 Y N 1.159 121.447 120.300 -0.020 0.000 2.497 439 Y HA -0.132 4.417 4.550 -0.000 0.000 0.292 439 Y C 2.548 178.449 175.900 0.002 0.000 1.137 439 Y CA 1.212 59.307 58.100 -0.007 0.000 1.285 439 Y CB -0.692 37.752 38.460 -0.026 0.000 0.991 439 Y HN 0.421 nan 8.280 nan 0.000 0.556 440 T N -3.261 111.373 114.554 0.134 0.000 3.088 440 T HA 0.004 4.354 4.350 -0.000 0.000 0.259 440 T C 0.930 175.659 174.700 0.048 0.000 1.122 440 T CA 0.128 62.271 62.100 0.072 0.000 1.095 440 T CB -0.129 68.761 68.868 0.036 0.000 0.930 440 T HN -0.177 nan 8.240 nan 0.000 0.508 441 K N 3.290 123.724 120.400 0.058 0.000 2.155 441 K HA 0.312 4.632 4.320 -0.000 0.000 0.240 441 K C -0.425 176.193 176.600 0.030 0.000 1.193 441 K CA -0.345 55.964 56.287 0.037 0.000 1.104 441 K CB -0.092 32.435 32.500 0.045 0.000 1.558 441 K HN 0.427 nan 8.250 nan 0.000 0.313 442 V N 0.375 120.287 119.914 -0.004 0.000 2.320 442 V HA 0.337 4.457 4.120 -0.000 0.000 0.265 442 V C -0.074 175.955 176.094 -0.108 0.000 1.048 442 V CA -0.777 61.495 62.300 -0.047 0.000 0.865 442 V CB 0.714 32.492 31.823 -0.076 0.000 1.043 442 V HN 0.360 nan 8.190 nan 0.000 0.474 443 T N 4.771 119.260 114.554 -0.108 0.000 2.733 443 T HA 0.234 4.584 4.350 -0.000 0.000 0.294 443 T C 0.133 174.775 174.700 -0.096 0.000 0.956 443 T CA -0.171 61.861 62.100 -0.113 0.000 0.987 443 T CB 0.841 69.632 68.868 -0.129 0.000 0.920 443 T HN 0.928 nan 8.240 nan 0.000 0.470 444 C N 5.870 125.126 119.300 -0.075 0.000 2.555 444 C HA 0.314 4.774 4.460 -0.000 0.000 0.385 444 C C 1.803 176.708 174.990 -0.142 0.000 1.296 444 C CA -0.577 58.441 59.018 0.000 0.000 1.757 444 C CB -2.009 25.738 27.740 0.012 0.000 2.445 444 C HN 1.016 nan 8.230 nan 0.000 0.571 445 L N 4.572 125.673 121.223 -0.203 0.000 2.179 445 L HA 0.005 4.345 4.340 -0.000 0.000 0.208 445 L C 2.459 179.101 176.870 -0.379 0.000 1.096 445 L CA 1.559 56.251 54.840 -0.248 0.000 0.779 445 L CB -0.210 41.707 42.059 -0.236 0.000 0.922 445 L HN 0.913 nan 8.230 nan 0.000 0.443 446 S N -2.425 112.948 115.700 -0.545 0.000 2.566 446 S HA -0.079 4.390 4.470 -0.000 0.000 0.234 446 S C 2.072 176.277 174.600 -0.658 0.000 1.075 446 S CA 0.306 58.010 58.200 -0.828 0.000 0.926 446 S CB -0.547 61.762 63.200 -1.485 0.000 0.811 446 S HN 0.346 nan 8.310 nan 0.000 0.518 447 C N 2.721 121.635 119.300 -0.643 0.000 2.365 447 C HA -0.188 4.272 4.460 -0.000 0.000 0.269 447 C C 2.104 176.792 174.990 -0.503 0.000 1.131 447 C CA 1.707 60.213 59.018 -0.853 0.000 1.827 447 C CB -1.372 25.602 27.740 -1.277 0.000 2.131 447 C HN 0.695 nan 8.230 nan 0.000 0.450 448 E N -0.503 119.515 120.200 -0.303 0.000 2.558 448 E HA 0.218 4.568 4.350 -0.000 0.000 0.205 448 E C 1.466 178.028 176.600 -0.064 0.000 1.006 448 E CA -0.229 56.103 56.400 -0.113 0.000 0.961 448 E CB 0.098 29.760 29.700 -0.062 0.000 1.044 448 E HN 0.626 nan 8.360 nan 0.000 0.465 449 L N 0.662 121.836 121.223 -0.081 0.000 2.056 449 L HA -0.030 4.310 4.340 -0.000 0.000 0.207 449 L C 1.086 177.980 176.870 0.042 0.000 1.078 449 L CA 0.881 55.715 54.840 -0.009 0.000 0.749 449 L CB 0.128 42.190 42.059 0.005 0.000 0.901 449 L HN 0.105 nan 8.230 nan 0.000 0.433 450 N N -1.132 117.611 118.700 0.071 0.000 2.827 450 N HA 0.112 4.852 4.740 -0.000 0.000 0.240 450 N C -2.214 173.337 175.510 0.069 0.000 1.352 450 N CA -0.936 52.149 53.050 0.058 0.000 0.760 450 N CB 1.242 39.757 38.487 0.046 0.000 1.426 450 N HN -0.189 nan 8.380 nan 0.000 0.561 451 P HA -0.112 nan 4.420 nan 0.000 0.223 451 P C 0.843 178.195 177.300 0.086 0.000 1.144 451 P CA 1.067 64.231 63.100 0.106 0.000 0.783 451 P CB 0.873 32.644 31.700 0.119 0.000 0.771 452 E N 0.352 120.580 120.200 0.047 0.000 2.057 452 E HA -0.090 4.260 4.350 -0.000 0.000 0.190 452 E C 2.105 178.707 176.600 0.003 0.000 0.969 452 E CA 0.379 56.794 56.400 0.025 0.000 0.812 452 E CB 0.106 29.813 29.700 0.011 0.000 0.777 452 E HN 0.136 nan 8.360 nan 0.000 0.455 453 R N -0.987 119.502 120.500 -0.019 0.000 2.317 453 R HA 0.198 4.538 4.340 -0.000 0.000 0.208 453 R C -0.150 176.101 176.300 -0.082 0.000 0.914 453 R CA 0.194 56.258 56.100 -0.060 0.000 1.060 453 R CB -0.002 30.244 30.300 -0.091 0.000 1.015 453 R HN -0.055 nan 8.270 nan 0.000 0.498 454 c N 1.526 120.099 118.600 -0.045 0.000 3.002 454 c HA 0.363 4.933 4.570 -0.000 0.000 0.248 454 c C -0.023 174.077 174.090 0.016 0.000 1.153 454 c CA -0.598 55.661 56.329 -0.117 0.000 1.502 454 c CB 0.762 43.193 42.510 -0.132 0.000 1.805 454 c HN 0.589 nan 8.230 nan 0.000 0.450 455 Q N -0.040 119.762 119.800 0.004 0.000 2.189 455 Q HA 0.201 4.541 4.340 -0.000 0.000 0.223 455 Q C -0.516 175.538 176.000 0.089 0.000 0.828 455 Q CA 0.267 56.127 55.803 0.094 0.000 0.967 455 Q CB 1.229 30.023 28.738 0.092 0.000 1.139 455 Q HN 0.743 nan 8.270 nan 0.000 0.497 456 Y N 0.566 120.782 120.300 -0.140 0.000 2.526 456 Y HA 0.357 4.907 4.550 -0.000 0.000 0.328 456 Y C -1.550 174.216 175.900 -0.224 0.000 0.995 456 Y CA -1.210 56.811 58.100 -0.132 0.000 1.304 456 Y CB 0.584 38.974 38.460 -0.118 0.000 1.096 456 Y HN -0.082 nan 8.280 nan 0.000 0.499 457 Y N 2.374 122.555 120.300 -0.197 0.000 2.409 457 Y HA 0.562 5.112 4.550 -0.000 0.000 0.339 457 Y C 0.170 175.965 175.900 -0.175 0.000 1.033 457 Y CA -0.398 57.601 58.100 -0.168 0.000 1.094 457 Y CB 2.189 40.512 38.460 -0.229 0.000 1.210 457 Y HN 0.453 nan 8.280 nan 0.000 0.456 458 S N 2.281 118.023 115.700 0.070 0.000 2.542 458 S HA 0.802 5.272 4.470 -0.000 0.000 0.293 458 S C -1.857 172.770 174.600 0.044 0.000 1.089 458 S CA -0.582 57.647 58.200 0.047 0.000 0.961 458 S CB 1.466 64.715 63.200 0.080 0.000 1.062 458 S HN 0.536 nan 8.310 nan 0.000 0.483 459 V N 2.704 122.631 119.914 0.022 0.000 2.876 459 V HA 0.861 4.981 4.120 -0.000 0.000 0.312 459 V C -0.789 175.332 176.094 0.046 0.000 1.085 459 V CA -0.295 61.978 62.300 -0.044 0.000 0.945 459 V CB 2.278 33.960 31.823 -0.235 0.000 1.017 459 V HN 0.968 nan 8.190 nan 0.000 0.428 460 S N 5.388 121.115 115.700 0.045 0.000 2.647 460 S HA 0.714 5.184 4.470 -0.000 0.000 0.300 460 S C -1.213 173.493 174.600 0.176 0.000 1.129 460 S CA -0.394 57.941 58.200 0.225 0.000 1.029 460 S CB 0.703 64.110 63.200 0.345 0.000 1.007 460 S HN 0.488 nan 8.310 nan 0.000 0.484 461 F N 2.760 122.769 119.950 0.098 0.000 2.403 461 F HA 0.478 5.005 4.527 -0.000 0.000 0.326 461 F C 1.321 176.704 175.800 -0.694 0.000 1.081 461 F CA -0.416 57.486 58.000 -0.162 0.000 1.041 461 F CB 1.449 40.336 39.000 -0.188 0.000 1.234 461 F HN 0.643 nan 8.300 nan 0.000 0.503 462 S N 0.888 116.016 115.700 -0.954 0.000 2.584 462 S HA 0.071 4.541 4.470 -0.000 0.000 0.270 462 S C 1.191 175.562 174.600 -0.380 0.000 1.346 462 S CA -0.706 56.717 58.200 -1.295 0.000 1.018 462 S CB 0.799 63.427 63.200 -0.954 0.000 0.899 462 S HN 0.808 nan 8.310 nan 0.000 0.542 463 K N 0.491 120.811 120.400 -0.133 0.000 2.173 463 K HA -0.187 4.133 4.320 -0.000 0.000 0.207 463 K C 0.985 177.597 176.600 0.021 0.000 1.046 463 K CA 1.897 58.209 56.287 0.042 0.000 0.929 463 K CB -0.103 32.475 32.500 0.131 0.000 0.720 463 K HN 0.708 nan 8.250 nan 0.000 0.453 464 E N -1.092 119.093 120.200 -0.026 0.000 2.498 464 E HA 0.289 4.639 4.350 -0.000 0.000 0.203 464 E C -1.015 175.557 176.600 -0.046 0.000 1.013 464 E CA 0.552 56.945 56.400 -0.013 0.000 0.927 464 E CB 1.349 31.050 29.700 0.002 0.000 1.012 464 E HN 0.376 nan 8.360 nan 0.000 0.482 465 A N 0.984 123.756 122.820 -0.081 0.000 1.614 465 A HA -0.229 4.091 4.320 -0.000 0.000 0.247 465 A C 0.697 178.252 177.584 -0.048 0.000 1.191 465 A CA 1.328 53.333 52.037 -0.052 0.000 0.602 465 A CB -1.297 17.595 19.000 -0.181 0.000 1.425 465 A HN 0.235 nan 8.150 nan 0.000 0.217 466 K N 0.454 120.797 120.400 -0.095 0.000 2.929 466 K HA 0.250 4.570 4.320 -0.000 0.000 0.188 466 K C -0.195 176.192 176.600 -0.356 0.000 1.654 466 K CA 0.383 56.515 56.287 -0.259 0.000 1.349 466 K CB 0.547 32.755 32.500 -0.485 0.000 1.879 466 K HN 0.753 nan 8.250 nan 0.000 0.626 467 Y N 0.303 120.525 120.300 -0.130 0.000 2.528 467 Y HA 0.460 5.010 4.550 -0.000 0.000 0.335 467 Y C -0.278 175.505 175.900 -0.196 0.000 1.093 467 Y CA -1.017 56.989 58.100 -0.157 0.000 1.134 467 Y CB 1.207 39.616 38.460 -0.085 0.000 1.253 467 Y HN 0.070 nan 8.280 nan 0.000 0.478 468 Y N -1.631 118.663 120.300 -0.011 0.000 2.655 468 Y HA 0.590 5.140 4.550 -0.000 0.000 0.336 468 Y C -1.463 174.477 175.900 0.066 0.000 1.154 468 Y CA -1.463 56.514 58.100 -0.205 0.000 1.055 468 Y CB 1.682 39.553 38.460 -0.983 0.000 1.295 468 Y HN 0.586 nan 8.280 nan 0.000 0.465 469 Q N 2.003 121.990 119.800 0.310 0.000 2.342 469 Q HA 0.603 4.943 4.340 -0.000 0.000 0.267 469 Q C -2.034 174.104 176.000 0.229 0.000 1.038 469 Q CA -0.930 55.018 55.803 0.242 0.000 0.832 469 Q CB 2.133 30.967 28.738 0.159 0.000 1.323 469 Q HN 0.929 nan 8.270 nan 0.000 0.448 470 L N 3.426 124.798 121.223 0.248 0.000 2.307 470 L HA 0.573 4.912 4.340 -0.000 0.000 0.284 470 L C -0.268 176.647 176.870 0.075 0.000 1.023 470 L CA -0.598 54.361 54.840 0.199 0.000 0.810 470 L CB 1.773 44.021 42.059 0.314 0.000 1.231 470 L HN 0.545 nan 8.230 nan 0.000 0.423 471 R N 2.961 123.455 120.500 -0.009 0.000 2.265 471 R HA 0.343 4.683 4.340 -0.000 0.000 0.328 471 R C -1.078 175.022 176.300 -0.334 0.000 0.969 471 R CA -0.441 55.474 56.100 -0.308 0.000 0.832 471 R CB 1.251 31.442 30.300 -0.181 0.000 1.139 471 R HN 0.686 nan 8.270 nan 0.000 0.457 472 c N 4.108 122.383 118.600 -0.543 0.000 2.246 472 c HA 0.325 4.894 4.570 -0.000 0.000 0.329 472 c C 1.104 174.956 174.090 -0.396 0.000 1.221 472 c CA -0.383 55.551 56.329 -0.658 0.000 1.697 472 c CB 0.322 42.388 42.510 -0.741 0.000 2.312 472 c HN 1.015 nan 8.230 nan 0.000 0.509 473 S N 3.344 118.915 115.700 -0.214 0.000 2.496 473 S HA 0.395 4.865 4.470 -0.000 0.000 0.224 473 S C 0.890 175.447 174.600 -0.071 0.000 0.996 473 S CA 0.681 58.821 58.200 -0.099 0.000 0.927 473 S CB 0.074 63.246 63.200 -0.047 0.000 0.774 473 S HN 1.277 nan 8.310 nan 0.000 0.524 474 G N 1.109 109.849 108.800 -0.101 0.000 2.333 474 G HA2 0.221 4.181 3.960 -0.000 0.000 0.288 474 G HA3 0.221 4.181 3.960 -0.000 0.000 0.288 474 G C -2.895 171.968 174.900 -0.061 0.000 1.286 474 G CA -0.496 44.574 45.100 -0.050 0.000 0.865 474 G HN -0.150 nan 8.290 nan 0.000 0.506 475 P HA 0.135 nan 4.420 nan 0.000 0.233 475 P C 1.297 178.590 177.300 -0.012 0.000 1.167 475 P CA 1.387 64.498 63.100 0.019 0.000 0.770 475 P CB 0.177 31.887 31.700 0.017 0.000 0.837 476 G N 0.503 109.230 108.800 -0.122 0.000 2.553 476 G HA2 0.352 4.312 3.960 -0.000 0.000 0.278 476 G HA3 0.352 4.312 3.960 -0.000 0.000 0.278 476 G C -0.503 174.099 174.900 -0.496 0.000 1.349 476 G CA -0.557 44.382 45.100 -0.268 0.000 1.037 476 G HN 0.002 nan 8.290 nan 0.000 0.508 477 L N 1.341 122.176 121.223 -0.645 0.000 2.490 477 L HA 0.197 4.537 4.340 -0.000 0.000 0.274 477 L C -1.738 174.955 176.870 -0.294 0.000 1.201 477 L CA -0.553 53.888 54.840 -0.664 0.000 0.869 477 L CB 0.307 42.086 42.059 -0.466 0.000 1.123 477 L HN 0.234 nan 8.230 nan 0.000 0.484 478 P HA 0.082 nan 4.420 nan 0.000 0.265 478 P C -1.012 176.215 177.300 -0.123 0.000 1.187 478 P CA -0.064 62.967 63.100 -0.117 0.000 0.766 478 P CB 0.580 32.303 31.700 0.040 0.000 0.820 479 L N 4.442 125.487 121.223 -0.296 0.000 2.408 479 L HA 0.536 4.875 4.340 -0.000 0.000 0.268 479 L C -1.723 174.920 176.870 -0.380 0.000 0.986 479 L CA -0.595 54.123 54.840 -0.203 0.000 0.820 479 L CB 1.353 43.315 42.059 -0.161 0.000 1.303 479 L HN 0.257 nan 8.230 nan 0.000 0.411 480 Y N 2.553 122.798 120.300 -0.092 0.000 2.332 480 Y HA 0.631 5.181 4.550 -0.000 0.000 0.326 480 Y C -0.138 175.634 175.900 -0.213 0.000 0.978 480 Y CA -0.642 57.380 58.100 -0.131 0.000 1.205 480 Y CB 2.102 40.465 38.460 -0.162 0.000 1.131 480 Y HN 0.625 nan 8.280 nan 0.000 0.462 481 T N 1.460 115.987 114.554 -0.044 0.000 2.886 481 T HA 0.644 4.994 4.350 -0.000 0.000 0.292 481 T C -1.108 173.456 174.700 -0.227 0.000 1.012 481 T CA -0.808 61.189 62.100 -0.172 0.000 0.982 481 T CB 1.736 70.508 68.868 -0.160 0.000 1.018 481 T HN 0.544 nan 8.240 nan 0.000 0.451 482 L N 3.381 124.389 121.223 -0.359 0.000 2.325 482 L HA 0.587 4.926 4.340 -0.000 0.000 0.279 482 L C -0.233 176.331 176.870 -0.510 0.000 1.054 482 L CA -0.593 54.083 54.840 -0.274 0.000 0.804 482 L CB 0.771 42.729 42.059 -0.168 0.000 1.200 482 L HN 0.787 nan 8.230 nan 0.000 0.436 483 H N 1.734 120.609 119.070 -0.324 0.000 2.869 483 H HA 0.359 4.915 4.556 -0.000 0.000 0.342 483 H C -1.179 173.934 175.328 -0.358 0.000 1.250 483 H CA -0.936 54.844 56.048 -0.448 0.000 1.217 483 H CB 2.154 31.402 29.762 -0.857 0.000 1.917 483 H HN 0.405 nan 8.280 nan 0.000 0.586 484 S N 0.589 116.210 115.700 -0.132 0.000 2.640 484 S HA 0.106 4.575 4.470 -0.000 0.000 0.320 484 S C 0.785 175.338 174.600 -0.079 0.000 1.097 484 S CA -0.532 57.628 58.200 -0.067 0.000 1.092 484 S CB 0.503 63.723 63.200 0.034 0.000 0.988 484 S HN 0.667 nan 8.310 nan 0.000 0.470 485 S N 3.521 119.201 115.700 -0.033 0.000 2.603 485 S HA -0.069 4.401 4.470 -0.000 0.000 0.229 485 S C 1.772 176.465 174.600 0.155 0.000 0.972 485 S CA 0.720 59.041 58.200 0.201 0.000 0.935 485 S CB -0.611 62.831 63.200 0.403 0.000 0.769 485 S HN 1.012 nan 8.310 nan 0.000 0.536 486 V N 0.542 120.487 119.914 0.052 0.000 2.809 486 V HA 0.047 4.167 4.120 -0.000 0.000 0.256 486 V C 1.232 177.373 176.094 0.077 0.000 1.080 486 V CA 1.519 63.856 62.300 0.062 0.000 1.102 486 V CB -0.956 30.865 31.823 -0.003 0.000 0.705 486 V HN 0.706 nan 8.190 nan 0.000 0.475 487 N N -2.066 116.670 118.700 0.060 0.000 1.986 487 N HA 0.062 4.802 4.740 -0.000 0.000 0.227 487 N C -0.068 175.467 175.510 0.042 0.000 1.387 487 N CA 0.443 53.523 53.050 0.050 0.000 0.810 487 N CB -0.288 38.221 38.487 0.036 0.000 1.140 487 N HN 0.415 nan 8.380 nan 0.000 0.504 488 D N -0.000 120.430 120.400 0.051 0.000 2.800 488 D HA -0.202 4.438 4.640 -0.000 0.000 0.232 488 D C -0.506 175.824 176.300 0.051 0.000 1.137 488 D CA 0.990 55.023 54.000 0.054 0.000 0.718 488 D CB -1.136 39.689 40.800 0.040 0.000 1.084 488 D HN 0.570 nan 8.370 nan 0.000 0.432 489 K N 0.563 120.988 120.400 0.042 0.000 2.274 489 K HA 0.515 4.835 4.320 -0.000 0.000 0.262 489 K C 0.431 177.044 176.600 0.022 0.000 0.961 489 K CA -0.413 55.895 56.287 0.035 0.000 0.833 489 K CB 1.394 33.902 32.500 0.013 0.000 1.102 489 K HN 0.037 nan 8.250 nan 0.000 0.436 490 G N 4.551 113.357 108.800 0.010 0.000 2.335 490 G HA2 0.088 4.048 3.960 -0.000 0.000 0.268 490 G HA3 0.088 4.048 3.960 -0.000 0.000 0.268 490 G C 0.666 175.467 174.900 -0.165 0.000 1.228 490 G CA -0.287 44.709 45.100 -0.174 0.000 0.968 490 G HN 0.711 nan 8.290 nan 0.000 0.459 491 L N 2.011 123.122 121.223 -0.187 0.000 1.950 491 L HA 0.154 4.494 4.340 -0.000 0.000 0.210 491 L C 1.891 178.686 176.870 -0.125 0.000 1.079 491 L CA 1.348 56.121 54.840 -0.112 0.000 0.754 491 L CB -0.180 41.843 42.059 -0.061 0.000 0.889 491 L HN 0.722 nan 8.230 nan 0.000 0.433 492 R N -1.414 118.987 120.500 -0.165 0.000 2.817 492 R HA 0.501 4.841 4.340 -0.000 0.000 0.268 492 R C -1.496 174.683 176.300 -0.202 0.000 1.027 492 R CA -0.814 55.198 56.100 -0.147 0.000 0.928 492 R CB 1.650 31.892 30.300 -0.096 0.000 1.228 492 R HN -0.184 nan 8.270 nan 0.000 0.469 493 V N 3.258 123.075 119.914 -0.162 0.000 2.406 493 V HA 0.157 4.277 4.120 -0.000 0.000 0.272 493 V C 1.340 177.299 176.094 -0.225 0.000 1.043 493 V CA -0.383 61.815 62.300 -0.171 0.000 0.915 493 V CB 1.110 32.870 31.823 -0.105 0.000 0.988 493 V HN 0.667 nan 8.190 nan 0.000 0.466 494 L N 2.725 123.735 121.223 -0.355 0.000 2.084 494 L HA 0.271 4.610 4.340 -0.000 0.000 0.202 494 L C 0.773 177.421 176.870 -0.370 0.000 1.074 494 L CA 0.825 55.271 54.840 -0.657 0.000 0.757 494 L CB 0.078 41.304 42.059 -1.388 0.000 0.918 494 L HN 0.614 nan 8.230 nan 0.000 0.444 495 E N -0.006 120.089 120.200 -0.175 0.000 2.287 495 E HA 0.097 4.447 4.350 -0.000 0.000 0.274 495 E C -1.044 175.609 176.600 0.089 0.000 0.896 495 E CA -0.352 56.056 56.400 0.012 0.000 0.788 495 E CB 1.189 30.918 29.700 0.048 0.000 1.244 495 E HN 0.202 nan 8.360 nan 0.000 0.408 496 D N 3.289 123.716 120.400 0.046 0.000 2.398 496 D HA 0.100 4.740 4.640 -0.000 0.000 0.210 496 D C -0.128 176.187 176.300 0.024 0.000 1.094 496 D CA -0.153 53.861 54.000 0.023 0.000 0.839 496 D CB 0.009 40.803 40.800 -0.010 0.000 0.963 496 D HN 0.476 nan 8.370 nan 0.000 0.506 497 N N 0.019 118.754 118.700 0.058 0.000 2.753 497 N HA -0.241 4.499 4.740 -0.000 0.000 0.251 497 N C 0.891 176.417 175.510 0.028 0.000 1.097 497 N CA 0.915 53.998 53.050 0.054 0.000 0.786 497 N CB -1.556 36.961 38.487 0.049 0.000 1.137 497 N HN 0.266 nan 8.380 nan 0.000 0.566 498 S N -0.356 115.356 115.700 0.020 0.000 2.420 498 S HA -0.082 4.388 4.470 -0.000 0.000 0.237 498 S C 1.994 176.611 174.600 0.029 0.000 1.023 498 S CA 1.635 59.843 58.200 0.012 0.000 0.991 498 S CB 0.010 63.217 63.200 0.010 0.000 0.792 498 S HN 0.575 nan 8.310 nan 0.000 0.488 499 A N 1.084 123.932 122.820 0.046 0.000 1.877 499 A HA -0.040 4.280 4.320 -0.000 0.000 0.216 499 A C 2.112 179.744 177.584 0.080 0.000 1.186 499 A CA 1.689 53.763 52.037 0.061 0.000 0.620 499 A CB -0.872 18.168 19.000 0.067 0.000 0.822 499 A HN 0.570 nan 8.150 nan 0.000 0.443 500 L N 0.022 121.298 121.223 0.088 0.000 2.141 500 L HA -0.137 4.203 4.340 -0.000 0.000 0.209 500 L C 1.921 178.838 176.870 0.079 0.000 1.094 500 L CA 2.434 57.346 54.840 0.121 0.000 0.763 500 L CB -0.531 41.607 42.059 0.132 0.000 0.908 500 L HN 0.465 nan 8.230 nan 0.000 0.437 501 D N -0.568 119.850 120.400 0.029 0.000 2.144 501 D HA -0.214 4.426 4.640 -0.000 0.000 0.199 501 D C 1.998 178.307 176.300 0.014 0.000 0.984 501 D CA 0.701 54.697 54.000 -0.007 0.000 0.834 501 D CB 0.213 40.995 40.800 -0.030 0.000 0.955 501 D HN 0.161 nan 8.370 nan 0.000 0.465 502 K N 0.484 120.906 120.400 0.037 0.000 2.026 502 K HA -0.078 4.242 4.320 -0.000 0.000 0.208 502 K C 2.306 178.945 176.600 0.065 0.000 1.048 502 K CA 0.799 57.113 56.287 0.045 0.000 0.929 502 K CB -0.467 32.063 32.500 0.052 0.000 0.713 502 K HN 0.281 nan 8.250 nan 0.000 0.439 503 M N -0.062 119.601 119.600 0.104 0.000 2.099 503 M HA -0.165 4.315 4.480 -0.000 0.000 0.262 503 M C 1.769 178.116 176.300 0.078 0.000 1.067 503 M CA 1.025 56.424 55.300 0.165 0.000 1.124 503 M CB -0.259 32.538 32.600 0.327 0.000 1.353 503 M HN -0.049 nan 8.290 nan 0.000 0.410 504 L N 0.554 121.776 121.223 -0.002 0.000 2.642 504 L HA -0.154 4.186 4.340 -0.000 0.000 0.236 504 L C 1.937 178.775 176.870 -0.053 0.000 1.169 504 L CA 1.571 56.350 54.840 -0.102 0.000 0.851 504 L CB -0.971 41.041 42.059 -0.078 0.000 0.968 504 L HN 0.379 nan 8.230 nan 0.000 0.453 505 Q N -1.799 117.996 119.800 -0.008 0.000 2.396 505 Q HA 0.070 4.410 4.340 -0.000 0.000 0.209 505 Q C 1.571 177.585 176.000 0.023 0.000 0.906 505 Q CA 0.125 55.930 55.803 0.003 0.000 0.927 505 Q CB 0.230 28.974 28.738 0.010 0.000 1.069 505 Q HN 0.568 nan 8.270 nan 0.000 0.523 506 N N 0.266 118.988 118.700 0.038 0.000 2.416 506 N HA -0.027 4.713 4.740 -0.000 0.000 0.177 506 N C 0.353 175.899 175.510 0.061 0.000 1.036 506 N CA 0.376 53.462 53.050 0.060 0.000 0.901 506 N CB 0.862 39.403 38.487 0.090 0.000 0.976 506 N HN 0.047 nan 8.380 nan 0.000 0.444 507 V N 1.393 121.324 119.914 0.028 0.000 2.435 507 V HA 0.199 4.319 4.120 -0.000 0.000 0.290 507 V C -0.348 175.754 176.094 0.014 0.000 1.030 507 V CA -0.677 61.639 62.300 0.026 0.000 0.881 507 V CB 1.652 33.452 31.823 -0.038 0.000 0.983 507 V HN 0.053 nan 8.190 nan 0.000 0.445 508 Q N 6.679 126.511 119.800 0.053 0.000 2.780 508 Q HA 0.245 4.585 4.340 -0.000 0.000 0.234 508 Q C -0.065 175.930 176.000 -0.008 0.000 1.355 508 Q CA -0.100 55.722 55.803 0.033 0.000 0.919 508 Q CB 0.159 28.968 28.738 0.117 0.000 1.645 508 Q HN 0.673 nan 8.270 nan 0.000 0.568 509 M N 3.119 122.692 119.600 -0.045 0.000 2.250 509 M HA 0.156 4.636 4.480 -0.000 0.000 0.325 509 M C -1.888 174.354 176.300 -0.098 0.000 1.084 509 M CA -1.920 53.337 55.300 -0.071 0.000 1.161 509 M CB -0.460 32.100 32.600 -0.066 0.000 1.481 509 M HN 0.277 nan 8.290 nan 0.000 0.449 510 P HA 0.218 nan 4.420 nan 0.000 0.276 510 P C -0.744 176.475 177.300 -0.135 0.000 1.244 510 P CA -0.386 62.627 63.100 -0.144 0.000 0.801 510 P CB 0.580 32.176 31.700 -0.172 0.000 1.006 511 S N 0.367 115.972 115.700 -0.159 0.000 2.738 511 S HA 0.558 5.027 4.470 -0.000 0.000 0.284 511 S C -0.324 174.182 174.600 -0.156 0.000 1.146 511 S CA -0.692 57.425 58.200 -0.137 0.000 0.997 511 S CB 1.227 64.343 63.200 -0.139 0.000 1.081 511 S HN 0.538 nan 8.310 nan 0.000 0.553 512 K N 0.319 120.649 120.400 -0.117 0.000 2.541 512 K HA 0.362 4.681 4.320 -0.000 0.000 0.250 512 K C -1.576 174.972 176.600 -0.086 0.000 0.950 512 K CA -0.400 55.825 56.287 -0.104 0.000 0.805 512 K CB 1.439 33.905 32.500 -0.057 0.000 1.166 512 K HN 0.685 nan 8.250 nan 0.000 0.430 513 K N 4.782 125.123 120.400 -0.098 0.000 2.185 513 K HA 0.336 4.656 4.320 -0.000 0.000 0.269 513 K C -1.195 175.385 176.600 -0.033 0.000 0.987 513 K CA -0.754 55.499 56.287 -0.057 0.000 0.865 513 K CB 0.935 33.400 32.500 -0.058 0.000 1.090 513 K HN 0.413 nan 8.250 nan 0.000 0.450 514 L N 4.332 125.543 121.223 -0.020 0.000 2.325 514 L HA 0.522 4.862 4.340 -0.000 0.000 0.281 514 L C -1.310 175.574 176.870 0.023 0.000 1.004 514 L CA -0.019 54.820 54.840 -0.001 0.000 0.823 514 L CB 1.337 43.433 42.059 0.061 0.000 1.236 514 L HN 0.860 nan 8.230 nan 0.000 0.415 515 D N 3.267 123.535 120.400 -0.221 0.000 2.692 515 D HA 0.448 5.088 4.640 -0.000 0.000 0.303 515 D C -1.422 174.576 176.300 -0.503 0.000 1.278 515 D CA -0.035 53.800 54.000 -0.274 0.000 0.852 515 D CB 2.136 42.738 40.800 -0.331 0.000 1.375 515 D HN 0.269 nan 8.370 nan 0.000 0.453 516 F N -0.049 119.522 119.950 -0.632 0.000 2.579 516 F HA 0.804 5.330 4.527 -0.000 0.000 0.324 516 F C -0.568 175.242 175.800 0.017 0.000 1.058 516 F CA -1.140 56.541 58.000 -0.531 0.000 0.944 516 F CB 0.938 39.164 39.000 -1.290 0.000 1.245 516 F HN 0.175 nan 8.300 nan 0.000 0.477 517 I N 0.556 121.292 120.570 0.277 0.000 2.608 517 I HA 0.547 4.717 4.170 -0.000 0.000 0.295 517 I C -1.157 175.121 176.117 0.267 0.000 1.049 517 I CA -1.155 60.270 61.300 0.209 0.000 1.063 517 I CB 1.771 39.920 38.000 0.248 0.000 1.248 517 I HN 0.477 nan 8.210 nan 0.000 0.424 518 I N 5.852 126.531 120.570 0.180 0.000 2.471 518 I HA 0.339 4.509 4.170 -0.000 0.000 0.286 518 I C -0.494 175.735 176.117 0.187 0.000 1.079 518 I CA -0.039 61.365 61.300 0.173 0.000 1.398 518 I CB 0.820 38.891 38.000 0.119 0.000 1.403 518 I HN 0.542 nan 8.210 nan 0.000 0.530 519 L N 8.074 129.440 121.223 0.237 0.000 2.528 519 L HA 0.425 4.765 4.340 -0.000 0.000 0.267 519 L C -0.427 176.597 176.870 0.257 0.000 0.961 519 L CA -0.234 54.775 54.840 0.282 0.000 0.866 519 L CB 0.952 43.293 42.059 0.470 0.000 1.248 519 L HN 0.552 nan 8.230 nan 0.000 0.404 520 N N 4.710 123.505 118.700 0.159 0.000 2.669 520 N HA -0.223 4.517 4.740 -0.000 0.000 0.266 520 N C 0.367 175.927 175.510 0.084 0.000 1.024 520 N CA 1.260 54.380 53.050 0.116 0.000 0.766 520 N CB -0.418 38.148 38.487 0.131 0.000 0.898 520 N HN 0.810 nan 8.380 nan 0.000 0.548 521 E N -4.683 115.549 120.200 0.052 0.000 4.562 521 E HA -0.235 4.115 4.350 -0.000 0.000 0.293 521 E C 0.453 177.033 176.600 -0.033 0.000 0.724 521 E CA 2.128 58.535 56.400 0.012 0.000 1.636 521 E CB -1.706 27.997 29.700 0.004 0.000 1.797 521 E HN 0.778 nan 8.360 nan 0.000 0.420 522 T N -0.758 113.747 114.554 -0.082 0.000 2.952 522 T HA 0.650 5.000 4.350 -0.000 0.000 0.286 522 T C 0.082 174.556 174.700 -0.377 0.000 1.024 522 T CA -0.880 61.052 62.100 -0.280 0.000 1.029 522 T CB 2.288 70.867 68.868 -0.483 0.000 1.094 522 T HN -0.027 nan 8.240 nan 0.000 0.515 523 K N 1.026 121.159 120.400 -0.445 0.000 2.262 523 K HA 0.398 4.718 4.320 -0.000 0.000 0.282 523 K C -1.349 174.956 176.600 -0.492 0.000 1.066 523 K CA -0.332 55.727 56.287 -0.380 0.000 0.901 523 K CB 0.320 32.552 32.500 -0.446 0.000 1.089 523 K HN 0.436 nan 8.250 nan 0.000 0.476 524 F N 2.754 122.706 119.950 0.003 0.000 2.366 524 F HA 0.255 4.782 4.527 -0.000 0.000 0.366 524 F C -0.394 175.359 175.800 -0.080 0.000 1.096 524 F CA -1.035 56.935 58.000 -0.050 0.000 1.060 524 F CB 0.457 39.444 39.000 -0.021 0.000 1.282 524 F HN 0.437 nan 8.300 nan 0.000 0.450 525 W N 4.134 125.511 121.300 0.129 0.000 2.181 525 W HA 0.332 4.992 4.660 -0.000 0.000 0.335 525 W C -0.157 176.407 176.519 0.075 0.000 1.310 525 W CA -0.091 57.321 57.345 0.112 0.000 1.226 525 W CB 0.217 29.716 29.460 0.065 0.000 1.155 525 W HN 0.467 nan 8.180 nan 0.000 0.565 526 Y N 0.126 120.657 120.300 0.386 0.000 2.615 526 Y HA 0.622 5.171 4.550 -0.000 0.000 0.341 526 Y C -0.835 175.263 175.900 0.331 0.000 1.089 526 Y CA -2.002 56.321 58.100 0.372 0.000 1.049 526 Y CB 1.045 39.877 38.460 0.619 0.000 1.296 526 Y HN 0.555 nan 8.280 nan 0.000 0.470 527 Q N 2.601 122.650 119.800 0.415 0.000 2.433 527 Q HA 0.737 5.076 4.340 -0.000 0.000 0.279 527 Q C -1.786 174.359 176.000 0.241 0.000 1.105 527 Q CA -1.220 54.713 55.803 0.217 0.000 0.815 527 Q CB 3.242 32.061 28.738 0.135 0.000 1.403 527 Q HN 0.944 nan 8.270 nan 0.000 0.435 528 M N 2.933 122.591 119.600 0.097 0.000 2.183 528 M HA 0.393 4.873 4.480 -0.000 0.000 0.277 528 M C -1.777 174.453 176.300 -0.116 0.000 0.995 528 M CA -0.805 54.483 55.300 -0.021 0.000 0.969 528 M CB 1.717 34.302 32.600 -0.025 0.000 1.659 528 M HN 0.681 nan 8.290 nan 0.000 0.462 529 I N 6.263 126.757 120.570 -0.127 0.000 2.337 529 I HA 0.302 4.472 4.170 -0.000 0.000 0.291 529 I C -0.626 175.331 176.117 -0.268 0.000 1.046 529 I CA -0.193 61.001 61.300 -0.177 0.000 1.324 529 I CB 0.170 38.083 38.000 -0.146 0.000 1.409 529 I HN 0.688 nan 8.210 nan 0.000 0.494 530 L N 8.304 129.316 121.223 -0.352 0.000 2.322 530 L HA 0.480 4.820 4.340 -0.000 0.000 0.281 530 L C -2.222 174.427 176.870 -0.369 0.000 1.014 530 L CA -1.871 52.649 54.840 -0.533 0.000 0.815 530 L CB 1.630 43.157 42.059 -0.886 0.000 1.247 530 L HN 0.281 nan 8.230 nan 0.000 0.421 531 P HA -0.025 nan 4.420 nan 0.000 0.267 531 P C -2.424 174.817 177.300 -0.098 0.000 1.195 531 P CA -0.540 62.458 63.100 -0.171 0.000 0.773 531 P CB -0.307 31.298 31.700 -0.157 0.000 0.837 532 P HA -0.044 nan 4.420 nan 0.000 0.272 532 P C -0.074 177.212 177.300 -0.023 0.000 1.230 532 P CA 0.397 63.413 63.100 -0.140 0.000 0.788 532 P CB 0.084 31.688 31.700 -0.159 0.000 0.949 533 H N -2.125 116.985 119.070 0.066 0.000 2.690 533 H HA -0.214 4.342 4.556 -0.000 0.000 0.309 533 H C 0.125 175.524 175.328 0.118 0.000 1.138 533 H CA 0.172 56.265 56.048 0.076 0.000 1.142 533 H CB -2.354 27.444 29.762 0.061 0.000 1.410 533 H HN 0.391 nan 8.280 nan 0.000 0.409 534 F N 2.586 122.531 119.950 -0.008 0.000 2.612 534 F HA 0.095 4.622 4.527 -0.000 0.000 0.389 534 F C 0.559 176.385 175.800 0.045 0.000 1.055 534 F CA -0.009 57.955 58.000 -0.060 0.000 1.232 534 F CB 0.496 39.362 39.000 -0.223 0.000 1.044 534 F HN 0.144 nan 8.300 nan 0.000 0.560 535 D N 6.293 126.425 120.400 -0.446 0.000 2.471 535 D HA 0.157 4.797 4.640 -0.000 0.000 0.245 535 D C 0.583 176.510 176.300 -0.621 0.000 1.116 535 D CA -0.384 53.379 54.000 -0.394 0.000 0.853 535 D CB 1.314 42.048 40.800 -0.111 0.000 1.123 535 D HN 0.660 nan 8.370 nan 0.000 0.540 536 K N 0.971 120.973 120.400 -0.663 0.000 2.442 536 K HA -0.107 4.213 4.320 -0.000 0.000 0.199 536 K C 1.690 178.242 176.600 -0.081 0.000 1.044 536 K CA 0.931 56.984 56.287 -0.390 0.000 0.941 536 K CB 0.268 32.663 32.500 -0.175 0.000 0.759 536 K HN 0.396 nan 8.250 nan 0.000 0.472 537 S N 0.171 115.806 115.700 -0.110 0.000 2.414 537 S HA 0.002 4.472 4.470 -0.000 0.000 0.227 537 S C 0.842 175.398 174.600 -0.074 0.000 1.022 537 S CA 0.254 58.418 58.200 -0.060 0.000 0.958 537 S CB 0.129 63.289 63.200 -0.067 0.000 0.797 537 S HN 0.068 nan 8.310 nan 0.000 0.493 538 K N 1.395 121.712 120.400 -0.138 0.000 2.168 538 K HA 0.266 4.586 4.320 -0.000 0.000 0.258 538 K C -0.473 176.008 176.600 -0.199 0.000 1.010 538 K CA -0.292 55.844 56.287 -0.251 0.000 0.929 538 K CB 0.433 32.635 32.500 -0.497 0.000 0.998 538 K HN 0.077 nan 8.250 nan 0.000 0.479 539 K N 2.830 123.095 120.400 -0.225 0.000 2.253 539 K HA 0.217 4.537 4.320 -0.000 0.000 0.277 539 K C -0.852 175.635 176.600 -0.188 0.000 1.053 539 K CA -0.289 55.930 56.287 -0.114 0.000 0.892 539 K CB 0.570 33.014 32.500 -0.093 0.000 1.102 539 K HN 0.392 nan 8.250 nan 0.000 0.469 540 Y N 3.470 123.805 120.300 0.060 0.000 2.387 540 Y HA 0.257 4.807 4.550 -0.000 0.000 0.336 540 Y C -1.735 174.124 175.900 -0.068 0.000 1.067 540 Y CA -2.273 55.853 58.100 0.043 0.000 1.114 540 Y CB 1.154 39.724 38.460 0.183 0.000 1.208 540 Y HN 0.452 nan 8.280 nan 0.000 0.458 541 P HA 0.131 nan 4.420 nan 0.000 0.271 541 P C -1.141 176.062 177.300 -0.162 0.000 1.218 541 P CA -0.146 62.734 63.100 -0.366 0.000 0.780 541 P CB 1.468 32.722 31.700 -0.744 0.000 0.901 542 L N 3.235 124.358 121.223 -0.167 0.000 2.386 542 L HA 0.627 4.967 4.340 -0.000 0.000 0.271 542 L C -1.563 175.477 176.870 0.283 0.000 0.993 542 L CA -0.948 53.937 54.840 0.074 0.000 0.819 542 L CB 1.909 44.009 42.059 0.068 0.000 1.294 542 L HN 0.154 nan 8.230 nan 0.000 0.414 543 L N 5.197 126.599 121.223 0.298 0.000 2.372 543 L HA 0.540 4.880 4.340 -0.000 0.000 0.274 543 L C -1.478 175.618 176.870 0.376 0.000 0.988 543 L CA -0.433 54.645 54.840 0.397 0.000 0.833 543 L CB 1.551 43.800 42.059 0.317 0.000 1.236 543 L HN 0.672 nan 8.230 nan 0.000 0.410 544 L N 5.169 126.668 121.223 0.461 0.000 2.363 544 L HA 0.335 4.674 4.340 -0.000 0.000 0.286 544 L C -0.251 176.846 176.870 0.378 0.000 1.106 544 L CA 0.288 55.385 54.840 0.430 0.000 0.859 544 L CB 0.077 42.446 42.059 0.516 0.000 1.223 544 L HN 0.593 nan 8.230 nan 0.000 0.446 545 D N 4.080 124.685 120.400 0.342 0.000 2.336 545 D HA 0.143 4.783 4.640 -0.000 0.000 0.249 545 D C -0.951 175.430 176.300 0.136 0.000 1.213 545 D CA 0.188 54.320 54.000 0.219 0.000 0.870 545 D CB 1.115 42.104 40.800 0.315 0.000 1.076 545 D HN 0.286 nan 8.370 nan 0.000 0.483 546 V N 6.564 126.479 119.914 0.002 0.000 2.638 546 V HA 0.303 4.423 4.120 -0.000 0.000 0.306 546 V C -0.794 175.408 176.094 0.180 0.000 1.052 546 V CA -0.591 61.786 62.300 0.128 0.000 0.885 546 V CB 1.652 33.562 31.823 0.145 0.000 0.999 546 V HN 0.594 nan 8.190 nan 0.000 0.424 547 Y N 5.973 126.346 120.300 0.122 0.000 2.583 547 Y HA 0.483 5.033 4.550 -0.000 0.000 0.270 547 Y C 1.680 177.728 175.900 0.248 0.000 1.113 547 Y CA 1.393 59.593 58.100 0.167 0.000 1.307 547 Y CB -0.028 38.513 38.460 0.136 0.000 1.369 547 Y HN 1.264 nan 8.280 nan 0.000 0.506 548 A N 0.432 123.292 122.820 0.068 0.000 3.413 548 A HA -0.193 4.127 4.320 -0.000 0.000 0.268 548 A C 1.239 178.709 177.584 -0.189 0.000 1.128 548 A CA 1.230 53.288 52.037 0.034 0.000 1.062 548 A CB -2.566 16.582 19.000 0.247 0.000 1.121 548 A HN 0.963 nan 8.150 nan 0.000 0.895 549 G N -0.874 107.479 108.800 -0.745 0.000 2.572 549 G HA2 0.483 4.443 3.960 -0.000 0.000 0.261 549 G HA3 0.483 4.443 3.960 -0.000 0.000 0.261 549 G C -2.349 172.069 174.900 -0.803 0.000 1.197 549 G CA -0.883 43.417 45.100 -1.334 0.000 0.870 549 G HN 0.240 nan 8.290 nan 0.000 0.548 550 P HA 0.030 nan 4.420 nan 0.000 0.256 550 P C 0.609 177.670 177.300 -0.397 0.000 1.173 550 P CA 0.356 63.087 63.100 -0.615 0.000 0.768 550 P CB 0.432 31.246 31.700 -1.477 0.000 0.758 551 C N 2.758 121.894 119.300 -0.272 0.000 4.617 551 C HA -0.163 4.296 4.460 -0.000 0.000 0.260 551 C C 1.004 175.889 174.990 -0.174 0.000 1.288 551 C CA 1.041 59.870 59.018 -0.314 0.000 1.668 551 C CB -2.617 24.768 27.740 -0.592 0.000 1.518 551 C HN 0.756 nan 8.230 nan 0.000 0.708 552 S N 0.328 115.896 115.700 -0.220 0.000 2.584 552 S HA 0.419 4.889 4.470 -0.000 0.000 0.270 552 S C -0.467 174.181 174.600 0.080 0.000 1.346 552 S CA 0.455 58.542 58.200 -0.189 0.000 1.018 552 S CB 1.346 64.078 63.200 -0.780 0.000 0.899 552 S HN 0.815 nan 8.310 nan 0.000 0.542 553 Q N 0.290 120.244 119.800 0.257 0.000 2.589 553 Q HA 0.304 4.644 4.340 -0.000 0.000 0.245 553 Q C -0.305 175.848 176.000 0.255 0.000 0.931 553 Q CA -0.637 55.335 55.803 0.282 0.000 0.730 553 Q CB 0.801 29.774 28.738 0.391 0.000 1.315 553 Q HN 0.645 nan 8.270 nan 0.000 0.469 554 K N 0.825 121.360 120.400 0.226 0.000 2.356 554 K HA 0.265 4.585 4.320 -0.000 0.000 0.195 554 K C -0.116 176.597 176.600 0.187 0.000 1.037 554 K CA 0.458 56.881 56.287 0.227 0.000 1.014 554 K CB 0.957 33.609 32.500 0.255 0.000 0.815 554 K HN 0.506 nan 8.250 nan 0.000 0.507 555 A N 2.772 125.703 122.820 0.184 0.000 2.511 555 A HA 0.340 4.660 4.320 -0.000 0.000 0.340 555 A C -0.774 176.870 177.584 0.100 0.000 1.396 555 A CA -0.676 51.460 52.037 0.164 0.000 0.887 555 A CB -0.072 19.067 19.000 0.232 0.000 1.145 555 A HN 0.224 nan 8.150 nan 0.000 0.497 556 D N -0.189 120.245 120.400 0.056 0.000 2.758 556 D HA 0.526 5.166 4.640 -0.000 0.000 0.262 556 D C 0.596 176.892 176.300 -0.007 0.000 1.113 556 D CA 0.236 54.253 54.000 0.029 0.000 1.114 556 D CB 0.463 41.282 40.800 0.031 0.000 1.363 556 D HN 0.110 nan 8.370 nan 0.000 0.617 557 T N -2.441 112.121 114.554 0.013 0.000 3.214 557 T HA 0.342 4.692 4.350 -0.000 0.000 0.264 557 T C 0.138 174.794 174.700 -0.074 0.000 1.012 557 T CA -0.490 61.613 62.100 0.006 0.000 0.901 557 T CB -0.782 68.129 68.868 0.073 0.000 1.070 557 T HN 0.241 nan 8.240 nan 0.000 0.561 558 V N 2.328 122.098 119.914 -0.239 0.000 2.583 558 V HA 0.399 4.519 4.120 -0.000 0.000 0.287 558 V C 0.070 176.112 176.094 -0.087 0.000 1.051 558 V CA -1.145 60.981 62.300 -0.291 0.000 1.010 558 V CB 0.296 31.806 31.823 -0.521 0.000 0.988 558 V HN 0.533 nan 8.190 nan 0.000 0.478 559 F N 5.969 125.822 119.950 -0.163 0.000 2.438 559 F HA 0.531 5.058 4.527 -0.000 0.000 0.356 559 F C 0.535 176.279 175.800 -0.093 0.000 1.099 559 F CA -0.127 57.804 58.000 -0.116 0.000 1.185 559 F CB 0.223 39.164 39.000 -0.098 0.000 1.115 559 F HN 0.431 nan 8.300 nan 0.000 0.526 560 R N 7.014 127.062 120.500 -0.753 0.000 2.621 560 R HA 0.504 4.844 4.340 -0.000 0.000 0.284 560 R C -1.642 174.250 176.300 -0.681 0.000 0.998 560 R CA -1.009 54.775 56.100 -0.527 0.000 0.895 560 R CB 2.089 32.237 30.300 -0.254 0.000 1.195 560 R HN 0.631 nan 8.270 nan 0.000 0.450 561 L N 4.273 125.246 121.223 -0.416 0.000 2.294 561 L HA 0.453 4.793 4.340 -0.000 0.000 0.283 561 L C -0.440 176.422 176.870 -0.013 0.000 1.015 561 L CA -0.755 53.904 54.840 -0.301 0.000 0.831 561 L CB 0.669 42.663 42.059 -0.109 0.000 1.217 561 L HN 0.767 nan 8.230 nan 0.000 0.420 562 N N 0.717 119.329 118.700 -0.146 0.000 3.439 562 N HA 0.139 4.879 4.740 -0.000 0.000 0.313 562 N C 0.118 175.172 175.510 -0.760 0.000 1.598 562 N CA -0.878 51.971 53.050 -0.334 0.000 0.830 562 N CB 0.215 38.636 38.487 -0.109 0.000 1.849 562 N HN 0.371 nan 8.380 nan 0.000 0.598 563 W N 0.781 121.373 121.300 -1.179 0.000 2.338 563 W HA 0.158 4.818 4.660 -0.000 0.000 0.304 563 W C 2.107 178.534 176.519 -0.153 0.000 1.212 563 W CA 2.988 59.914 57.345 -0.698 0.000 1.264 563 W CB -1.062 28.179 29.460 -0.365 0.000 1.142 563 W HN 0.713 nan 8.180 nan 0.000 0.512 564 A N -0.217 122.518 122.820 -0.142 0.000 1.892 564 A HA -0.268 4.052 4.320 -0.000 0.000 0.218 564 A C 1.959 179.402 177.584 -0.236 0.000 1.188 564 A CA 2.954 54.857 52.037 -0.223 0.000 0.631 564 A CB -1.435 17.524 19.000 -0.068 0.000 0.822 564 A HN 0.321 nan 8.150 nan 0.000 0.447 565 T N -1.297 113.127 114.554 -0.217 0.000 2.699 565 T HA -0.263 4.087 4.350 -0.000 0.000 0.268 565 T C 1.754 176.426 174.700 -0.046 0.000 1.036 565 T CA 1.848 63.784 62.100 -0.274 0.000 1.147 565 T CB -0.537 67.960 68.868 -0.617 0.000 0.862 565 T HN 0.726 nan 8.240 nan 0.000 0.446 566 Y N 1.567 121.906 120.300 0.065 0.000 2.263 566 Y HA 0.057 4.607 4.550 -0.000 0.000 0.292 566 Y C 1.991 177.872 175.900 -0.032 0.000 1.130 566 Y CA 0.794 59.006 58.100 0.186 0.000 1.179 566 Y CB -0.443 38.136 38.460 0.198 0.000 0.998 566 Y HN 0.087 nan 8.280 nan 0.000 0.532 567 L N 0.475 121.287 121.223 -0.685 0.000 2.017 567 L HA -0.211 4.129 4.340 -0.000 0.000 0.208 567 L C 2.899 179.507 176.870 -0.437 0.000 1.073 567 L CA 1.358 55.726 54.840 -0.787 0.000 0.745 567 L CB -0.976 40.646 42.059 -0.728 0.000 0.894 567 L HN 0.417 nan 8.230 nan 0.000 0.432 568 A N -1.166 121.477 122.820 -0.294 0.000 1.873 568 A HA -0.204 4.116 4.320 -0.000 0.000 0.215 568 A C 2.525 180.029 177.584 -0.135 0.000 1.186 568 A CA 1.916 53.835 52.037 -0.196 0.000 0.616 568 A CB -0.713 18.167 19.000 -0.199 0.000 0.823 568 A HN 0.345 nan 8.150 nan 0.000 0.442 569 S N -1.153 114.484 115.700 -0.105 0.000 2.348 569 S HA -0.135 4.335 4.470 -0.000 0.000 0.221 569 S C 2.030 176.642 174.600 0.021 0.000 1.033 569 S CA 2.362 60.560 58.200 -0.003 0.000 1.010 569 S CB -0.406 62.858 63.200 0.106 0.000 0.891 569 S HN 0.627 nan 8.310 nan 0.000 0.442 570 T N 1.155 115.685 114.554 -0.039 0.000 2.953 570 T HA 0.166 4.516 4.350 -0.000 0.000 0.247 570 T C 1.313 175.981 174.700 -0.053 0.000 1.029 570 T CA 0.531 62.635 62.100 0.005 0.000 1.144 570 T CB -0.123 68.829 68.868 0.141 0.000 0.870 570 T HN 0.307 nan 8.240 nan 0.000 0.446 571 E N 1.342 121.420 120.200 -0.203 0.000 2.479 571 E HA 0.168 4.518 4.350 -0.000 0.000 0.193 571 E C -0.148 176.443 176.600 -0.014 0.000 1.049 571 E CA -0.130 56.202 56.400 -0.113 0.000 0.870 571 E CB -0.450 29.124 29.700 -0.210 0.000 0.944 571 E HN 0.515 nan 8.360 nan 0.000 0.492 572 N N 0.797 119.495 118.700 -0.003 0.000 2.714 572 N HA -0.203 4.537 4.740 -0.000 0.000 0.252 572 N C -0.846 174.743 175.510 0.132 0.000 1.014 572 N CA 0.345 53.453 53.050 0.097 0.000 0.735 572 N CB -1.154 37.461 38.487 0.213 0.000 0.924 572 N HN 0.245 nan 8.380 nan 0.000 0.540 573 I N 0.548 121.126 120.570 0.012 0.000 2.493 573 I HA 0.383 4.553 4.170 -0.000 0.000 0.298 573 I C 0.500 176.587 176.117 -0.050 0.000 0.998 573 I CA -0.880 60.443 61.300 0.039 0.000 1.137 573 I CB 1.535 39.576 38.000 0.069 0.000 1.310 573 I HN 0.025 nan 8.210 nan 0.000 0.445 574 I N 6.257 126.814 120.570 -0.022 0.000 2.371 574 I HA 0.205 4.375 4.170 -0.000 0.000 0.290 574 I C -0.202 175.897 176.117 -0.030 0.000 1.028 574 I CA -0.531 60.719 61.300 -0.084 0.000 1.345 574 I CB 1.394 39.363 38.000 -0.052 0.000 1.407 574 I HN 0.286 nan 8.210 nan 0.000 0.501 575 V N 5.048 124.926 119.914 -0.061 0.000 2.409 575 V HA 0.894 5.014 4.120 -0.000 0.000 0.291 575 V C -0.222 175.878 176.094 0.010 0.000 1.020 575 V CA -0.186 62.126 62.300 0.020 0.000 0.848 575 V CB 1.251 33.091 31.823 0.028 0.000 0.990 575 V HN 0.762 nan 8.190 nan 0.000 0.430 576 A N 4.494 127.341 122.820 0.046 0.000 2.356 576 A HA 0.976 5.296 4.320 -0.000 0.000 0.323 576 A C -0.017 177.698 177.584 0.217 0.000 1.119 576 A CA -0.576 51.466 52.037 0.008 0.000 0.790 576 A CB 2.008 20.768 19.000 -0.401 0.000 1.273 576 A HN 1.117 nan 8.150 nan 0.000 0.452 577 S N -0.443 115.439 115.700 0.304 0.000 2.671 577 S HA 0.841 5.310 4.470 -0.000 0.000 0.299 577 S C -1.424 173.537 174.600 0.602 0.000 1.116 577 S CA -0.343 58.096 58.200 0.398 0.000 0.912 577 S CB 1.445 64.823 63.200 0.297 0.000 1.130 577 S HN 0.851 nan 8.310 nan 0.000 0.501 578 F N 1.489 121.661 119.950 0.370 0.000 2.630 578 F HA 0.335 4.862 4.527 -0.000 0.000 0.325 578 F C -1.712 174.262 175.800 0.290 0.000 1.184 578 F CA -0.620 57.616 58.000 0.394 0.000 1.011 578 F CB 1.300 40.505 39.000 0.342 0.000 1.268 578 F HN 0.404 nan 8.300 nan 0.000 0.480 579 D N 5.118 125.418 120.400 -0.166 0.000 2.483 579 D HA 0.292 4.932 4.640 -0.000 0.000 0.220 579 D C 0.569 176.753 176.300 -0.193 0.000 1.173 579 D CA 0.276 54.247 54.000 -0.048 0.000 0.964 579 D CB 1.081 41.940 40.800 0.098 0.000 1.046 579 D HN 0.699 nan 8.370 nan 0.000 0.517 580 G N 0.893 109.688 108.800 -0.009 0.000 2.510 580 G HA2 0.216 4.176 3.960 -0.000 0.000 0.280 580 G HA3 0.216 4.176 3.960 -0.000 0.000 0.280 580 G C 0.129 175.054 174.900 0.042 0.000 1.386 580 G CA -0.828 44.266 45.100 -0.010 0.000 1.047 580 G HN 0.288 nan 8.290 nan 0.000 0.527 581 R N -0.376 120.115 120.500 -0.016 0.000 2.480 581 R HA 0.348 4.688 4.340 -0.000 0.000 0.303 581 R C 1.153 177.520 176.300 0.111 0.000 0.985 581 R CA 1.403 57.570 56.100 0.111 0.000 1.051 581 R CB 0.227 30.576 30.300 0.082 0.000 0.935 581 R HN 0.972 nan 8.270 nan 0.000 0.410 582 G N 1.429 110.277 108.800 0.079 0.000 2.428 582 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.199 582 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.199 582 G C 0.171 175.046 174.900 -0.041 0.000 1.005 582 G CA -0.077 45.045 45.100 0.037 0.000 0.671 582 G HN 0.683 nan 8.290 nan 0.000 0.485 583 S N 0.494 116.185 115.700 -0.015 0.000 2.587 583 S HA 0.581 5.051 4.470 -0.000 0.000 0.260 583 S C 0.828 175.374 174.600 -0.090 0.000 1.353 583 S CA 0.658 58.834 58.200 -0.040 0.000 0.995 583 S CB 1.511 64.740 63.200 0.049 0.000 0.912 583 S HN 1.721 nan 8.310 nan 0.000 0.568 584 G N -1.319 107.398 108.800 -0.138 0.000 2.667 584 G HA2 0.534 4.494 3.960 -0.000 0.000 0.310 584 G HA3 0.534 4.494 3.960 -0.000 0.000 0.310 584 G C -1.006 173.773 174.900 -0.202 0.000 1.259 584 G CA -1.159 43.721 45.100 -0.367 0.000 1.019 584 G HN 1.005 nan 8.290 nan 0.000 0.496 585 Y N -2.151 118.127 120.300 -0.038 0.000 4.272 585 Y HA -0.215 4.335 4.550 -0.000 0.000 0.232 585 Y C 1.084 176.994 175.900 0.017 0.000 1.149 585 Y CA 0.899 58.998 58.100 -0.001 0.000 1.961 585 Y CB -1.983 36.498 38.460 0.035 0.000 1.611 585 Y HN 0.506 nan 8.280 nan 0.000 0.682 586 Q N -0.091 119.724 119.800 0.025 0.000 2.038 586 Q HA 0.469 4.809 4.340 -0.000 0.000 0.240 586 Q C 0.686 176.503 176.000 -0.305 0.000 0.831 586 Q CA 0.128 55.949 55.803 0.030 0.000 1.068 586 Q CB 1.632 30.411 28.738 0.068 0.000 1.241 586 Q HN 0.608 nan 8.270 nan 0.000 0.435 587 G N 0.774 109.258 108.800 -0.527 0.000 2.712 587 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.686 587 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.686 587 G C -0.369 174.161 174.900 -0.615 0.000 1.321 587 G CA -0.508 44.053 45.100 -0.898 0.000 0.813 587 G HN 0.192 nan 8.290 nan 0.000 0.599 588 D N 0.050 120.089 120.400 -0.601 0.000 2.312 588 D HA -0.010 4.630 4.640 -0.000 0.000 0.211 588 D C 2.164 178.224 176.300 -0.401 0.000 0.964 588 D CA 1.166 54.782 54.000 -0.639 0.000 0.877 588 D CB 0.126 40.669 40.800 -0.428 0.000 0.924 588 D HN 0.438 nan 8.370 nan 0.000 0.515 589 K N 0.439 120.640 120.400 -0.330 0.000 2.217 589 K HA 0.069 4.389 4.320 -0.000 0.000 0.202 589 K C 1.645 178.154 176.600 -0.150 0.000 1.051 589 K CA 0.692 56.859 56.287 -0.200 0.000 0.952 589 K CB -0.046 32.347 32.500 -0.178 0.000 0.736 589 K HN 0.159 nan 8.250 nan 0.000 0.453 590 I N -0.737 119.723 120.570 -0.183 0.000 2.810 590 I HA -0.008 4.162 4.170 -0.000 0.000 0.262 590 I C 2.262 178.332 176.117 -0.078 0.000 1.131 590 I CA 0.403 61.668 61.300 -0.059 0.000 1.453 590 I CB -0.072 37.918 38.000 -0.017 0.000 1.161 590 I HN 0.153 nan 8.210 nan 0.000 0.444 591 M N 0.385 119.844 119.600 -0.236 0.000 2.123 591 M HA -0.170 4.309 4.480 -0.000 0.000 0.263 591 M C 2.034 178.229 176.300 -0.175 0.000 1.069 591 M CA 1.882 57.022 55.300 -0.266 0.000 1.133 591 M CB -0.179 32.122 32.600 -0.499 0.000 1.356 591 M HN 0.193 nan 8.290 nan 0.000 0.415 592 H N 0.221 119.145 119.070 -0.244 0.000 2.556 592 H HA 0.238 4.794 4.556 -0.000 0.000 0.268 592 H C 1.980 177.286 175.328 -0.036 0.000 0.996 592 H CA 0.797 56.710 56.048 -0.224 0.000 1.157 592 H CB -0.597 28.954 29.762 -0.351 0.000 1.355 592 H HN 0.547 nan 8.280 nan 0.000 0.597 593 A N 1.435 124.295 122.820 0.067 0.000 1.997 593 A HA -0.170 4.150 4.320 -0.000 0.000 0.221 593 A C 2.292 179.960 177.584 0.141 0.000 1.172 593 A CA 1.790 53.839 52.037 0.020 0.000 0.645 593 A CB -0.737 18.241 19.000 -0.036 0.000 0.813 593 A HN 0.553 nan 8.150 nan 0.000 0.454 594 I N -3.648 117.063 120.570 0.235 0.000 3.941 594 I HA 0.135 4.305 4.170 -0.000 0.000 0.321 594 I C 0.652 176.899 176.117 0.216 0.000 1.284 594 I CA -0.310 61.164 61.300 0.290 0.000 1.226 594 I CB -0.399 37.743 38.000 0.237 0.000 1.045 594 I HN 0.238 nan 8.210 nan 0.000 0.420 595 N N 3.087 121.962 118.700 0.292 0.000 2.219 595 N HA -0.153 4.587 4.740 -0.000 0.000 0.263 595 N C 0.315 175.890 175.510 0.108 0.000 1.269 595 N CA 0.659 53.890 53.050 0.301 0.000 0.831 595 N CB 0.291 38.986 38.487 0.346 0.000 1.059 595 N HN 0.396 nan 8.380 nan 0.000 0.475 596 R N 0.015 120.537 120.500 0.037 0.000 4.010 596 R HA -0.169 4.171 4.340 -0.000 0.000 0.409 596 R C -0.379 175.768 176.300 -0.255 0.000 1.120 596 R CA 1.370 57.430 56.100 -0.066 0.000 1.244 596 R CB -0.688 29.598 30.300 -0.023 0.000 1.799 596 R HN 0.677 nan 8.270 nan 0.000 0.559 597 R N 0.529 120.888 120.500 -0.234 0.000 2.738 597 R HA 0.257 4.597 4.340 -0.000 0.000 0.280 597 R C -0.783 175.479 176.300 -0.063 0.000 1.456 597 R CA -0.635 55.175 56.100 -0.483 0.000 1.612 597 R CB 0.162 30.294 30.300 -0.280 0.000 1.286 597 R HN -0.107 nan 8.270 nan 0.000 0.660 598 L N 0.717 121.966 121.223 0.044 0.000 2.426 598 L HA 0.356 4.696 4.340 -0.000 0.000 0.271 598 L C 1.334 178.424 176.870 0.366 0.000 1.169 598 L CA 1.285 56.199 54.840 0.124 0.000 0.836 598 L CB 0.673 42.580 42.059 -0.253 0.000 1.112 598 L HN 0.869 nan 8.230 nan 0.000 0.465 599 G N 1.294 110.327 108.800 0.388 0.000 2.248 599 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.263 599 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.263 599 G C 0.426 175.398 174.900 0.120 0.000 1.082 599 G CA 0.666 45.963 45.100 0.328 0.000 0.863 599 G HN 0.911 nan 8.290 nan 0.000 0.495 600 T N -3.859 110.716 114.554 0.036 0.000 3.413 600 T HA 0.396 4.746 4.350 -0.000 0.000 0.187 600 T C 1.644 176.213 174.700 -0.219 0.000 0.961 600 T CA 0.909 62.882 62.100 -0.212 0.000 1.085 600 T CB 0.059 68.621 68.868 -0.510 0.000 1.345 600 T HN 0.181 nan 8.240 nan 0.000 0.326 601 F N 3.328 123.323 119.950 0.074 0.000 2.259 601 F HA 0.165 4.692 4.527 -0.000 0.000 0.298 601 F C 2.817 178.642 175.800 0.041 0.000 1.088 601 F CA 1.075 59.101 58.000 0.045 0.000 1.358 601 F CB -0.387 38.639 39.000 0.043 0.000 1.040 601 F HN 0.432 nan 8.300 nan 0.000 0.505 602 E N 0.958 121.296 120.200 0.230 0.000 2.072 602 E HA -0.117 4.233 4.350 -0.000 0.000 0.190 602 E C 2.194 178.874 176.600 0.134 0.000 0.982 602 E CA 1.420 57.933 56.400 0.189 0.000 0.803 602 E CB -1.169 28.665 29.700 0.224 0.000 0.755 602 E HN 0.271 nan 8.360 nan 0.000 0.453 603 V N 1.822 121.792 119.914 0.094 0.000 2.255 603 V HA -0.272 3.848 4.120 -0.000 0.000 0.247 603 V C 2.417 178.504 176.094 -0.011 0.000 1.051 603 V CA 2.523 64.828 62.300 0.007 0.000 1.018 603 V CB -0.618 31.172 31.823 -0.055 0.000 0.641 603 V HN 0.263 nan 8.190 nan 0.000 0.445 604 E N -0.480 119.719 120.200 -0.001 0.000 2.152 604 E HA -0.185 4.165 4.350 -0.000 0.000 0.192 604 E C 1.878 178.457 176.600 -0.035 0.000 0.983 604 E CA 1.068 57.462 56.400 -0.010 0.000 0.818 604 E CB -0.143 29.562 29.700 0.008 0.000 0.758 604 E HN 0.570 nan 8.360 nan 0.000 0.467 605 D N 0.287 120.679 120.400 -0.013 0.000 2.219 605 D HA -0.128 4.512 4.640 -0.000 0.000 0.205 605 D C 1.796 177.939 176.300 -0.262 0.000 0.970 605 D CA 0.729 54.665 54.000 -0.107 0.000 0.851 605 D CB 0.032 40.844 40.800 0.021 0.000 0.943 605 D HN 0.073 nan 8.370 nan 0.000 0.488 606 Q N -0.259 119.489 119.800 -0.087 0.000 2.172 606 Q HA 0.012 4.352 4.340 -0.000 0.000 0.200 606 Q C 2.370 178.355 176.000 -0.025 0.000 0.964 606 Q CA 0.472 56.240 55.803 -0.058 0.000 0.855 606 Q CB 0.163 28.925 28.738 0.041 0.000 0.918 606 Q HN 0.425 nan 8.270 nan 0.000 0.444 607 I N 0.319 120.884 120.570 -0.008 0.000 2.235 607 I HA -0.202 3.968 4.170 -0.000 0.000 0.241 607 I C 2.300 178.340 176.117 -0.128 0.000 1.085 607 I CA 0.913 62.265 61.300 0.088 0.000 1.378 607 I CB -0.136 37.913 38.000 0.081 0.000 1.076 607 I HN 0.076 nan 8.210 nan 0.000 0.415 608 E N 1.518 121.589 120.200 -0.215 0.000 2.204 608 E HA -0.197 4.152 4.350 -0.000 0.000 0.195 608 E C 2.054 178.343 176.600 -0.519 0.000 0.990 608 E CA 1.391 57.614 56.400 -0.295 0.000 0.821 608 E CB -0.116 29.444 29.700 -0.232 0.000 0.750 608 E HN 0.429 nan 8.360 nan 0.000 0.477 609 A N 0.798 123.157 122.820 -0.767 0.000 1.883 609 A HA -0.110 4.210 4.320 -0.000 0.000 0.217 609 A C 2.472 179.326 177.584 -1.218 0.000 1.186 609 A CA 2.212 53.500 52.037 -1.249 0.000 0.624 609 A CB -1.151 17.048 19.000 -1.334 0.000 0.822 609 A HN 0.398 nan 8.150 nan 0.000 0.444 610 A N -0.317 122.158 122.820 -0.575 0.000 1.902 610 A HA -0.169 4.150 4.320 -0.000 0.000 0.217 610 A C 2.229 179.590 177.584 -0.372 0.000 1.181 610 A CA 1.525 53.364 52.037 -0.330 0.000 0.623 610 A CB -0.492 18.305 19.000 -0.337 0.000 0.818 610 A HN 0.559 nan 8.150 nan 0.000 0.443 611 R N -0.713 119.565 120.500 -0.370 0.000 2.120 611 R HA -0.124 4.216 4.340 -0.000 0.000 0.234 611 R C 2.303 178.432 176.300 -0.286 0.000 1.123 611 R CA 1.342 57.273 56.100 -0.283 0.000 0.975 611 R CB -0.245 29.920 30.300 -0.225 0.000 0.866 611 R HN 0.573 nan 8.270 nan 0.000 0.446 612 Q N -0.155 119.397 119.800 -0.413 0.000 2.079 612 Q HA -0.094 4.245 4.340 -0.000 0.000 0.200 612 Q C 2.029 177.874 176.000 -0.259 0.000 0.974 612 Q CA 1.322 56.911 55.803 -0.358 0.000 0.840 612 Q CB -0.193 28.272 28.738 -0.455 0.000 0.898 612 Q HN 0.289 nan 8.270 nan 0.000 0.430 613 F N 1.266 121.065 119.950 -0.252 0.000 2.171 613 F HA -0.097 4.430 4.527 -0.000 0.000 0.300 613 F C 2.578 178.161 175.800 -0.361 0.000 1.090 613 F CA 0.648 58.470 58.000 -0.298 0.000 1.293 613 F CB -1.125 37.745 39.000 -0.217 0.000 1.013 613 F HN -0.059 nan 8.300 nan 0.000 0.486 614 S N 0.157 115.782 115.700 -0.124 0.000 2.351 614 S HA -0.228 4.242 4.470 -0.000 0.000 0.220 614 S C 2.004 176.488 174.600 -0.194 0.000 1.035 614 S CA 1.407 59.502 58.200 -0.175 0.000 1.031 614 S CB -0.401 62.699 63.200 -0.167 0.000 0.928 614 S HN 0.329 nan 8.310 nan 0.000 0.433 615 K N 0.547 120.848 120.400 -0.165 0.000 2.218 615 K HA -0.009 4.311 4.320 -0.000 0.000 0.205 615 K C 1.850 178.371 176.600 -0.132 0.000 1.046 615 K CA 1.060 57.269 56.287 -0.130 0.000 0.933 615 K CB -0.263 32.173 32.500 -0.106 0.000 0.728 615 K HN 0.394 nan 8.250 nan 0.000 0.454 616 M N -0.760 118.718 119.600 -0.203 0.000 2.632 616 M HA -0.050 4.430 4.480 -0.000 0.000 0.256 616 M C 1.236 177.381 176.300 -0.258 0.000 1.080 616 M CA 1.117 56.288 55.300 -0.215 0.000 1.084 616 M CB 0.121 32.546 32.600 -0.292 0.000 1.439 616 M HN 0.467 nan 8.290 nan 0.000 0.509 617 G N 0.718 109.350 108.800 -0.281 0.000 2.205 617 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.261 617 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.261 617 G C 0.494 175.380 174.900 -0.024 0.000 0.980 617 G CA 0.550 45.583 45.100 -0.112 0.000 0.632 617 G HN 0.663 nan 8.290 nan 0.000 0.533 618 F N -0.299 119.707 119.950 0.094 0.000 2.653 618 F HA 0.735 5.261 4.527 -0.000 0.000 0.304 618 F C 0.393 176.300 175.800 0.178 0.000 1.092 618 F CA -0.901 57.182 58.000 0.139 0.000 1.279 618 F CB 0.255 39.401 39.000 0.243 0.000 1.044 618 F HN 0.064 nan 8.300 nan 0.000 0.564 619 V N 1.877 121.739 119.914 -0.088 0.000 2.394 619 V HA 0.145 4.265 4.120 -0.000 0.000 0.282 619 V C -0.495 175.566 176.094 -0.055 0.000 1.031 619 V CA -0.779 61.507 62.300 -0.023 0.000 0.881 619 V CB 1.288 33.033 31.823 -0.130 0.000 0.982 619 V HN 0.078 nan 8.190 nan 0.000 0.451 620 D N 4.320 124.691 120.400 -0.048 0.000 2.367 620 D HA -0.013 4.627 4.640 -0.000 0.000 0.255 620 D C 1.189 177.415 176.300 -0.123 0.000 1.300 620 D CA -0.117 53.824 54.000 -0.099 0.000 0.959 620 D CB 0.388 41.111 40.800 -0.130 0.000 1.064 620 D HN 0.658 nan 8.370 nan 0.000 0.509 621 N N 3.216 121.848 118.700 -0.114 0.000 2.521 621 N HA -0.131 4.609 4.740 -0.000 0.000 0.188 621 N C 0.988 176.430 175.510 -0.113 0.000 1.146 621 N CA 0.392 53.365 53.050 -0.128 0.000 0.893 621 N CB -0.005 38.401 38.487 -0.134 0.000 0.975 621 N HN 0.331 nan 8.380 nan 0.000 0.451 622 K N 0.171 120.512 120.400 -0.098 0.000 2.426 622 K HA 0.173 4.493 4.320 -0.000 0.000 0.193 622 K C -0.104 176.460 176.600 -0.059 0.000 1.028 622 K CA 0.081 56.327 56.287 -0.068 0.000 1.047 622 K CB 0.284 32.750 32.500 -0.057 0.000 0.821 622 K HN 0.126 nan 8.250 nan 0.000 0.513 623 R N 1.154 121.580 120.500 -0.124 0.000 2.687 623 R HA 0.330 4.670 4.340 -0.000 0.000 0.264 623 R C -1.154 174.989 176.300 -0.261 0.000 1.715 623 R CA -0.184 55.803 56.100 -0.187 0.000 1.633 623 R CB 0.758 30.807 30.300 -0.419 0.000 1.353 623 R HN 0.013 nan 8.270 nan 0.000 0.653 624 I N 1.185 121.762 120.570 0.013 0.000 2.378 624 I HA 0.549 4.719 4.170 -0.000 0.000 0.291 624 I C 0.230 176.637 176.117 0.483 0.000 0.992 624 I CA -0.783 60.597 61.300 0.134 0.000 1.154 624 I CB 1.854 39.791 38.000 -0.106 0.000 1.315 624 I HN 0.288 nan 8.210 nan 0.000 0.448 625 A N 7.209 130.443 122.820 0.692 0.000 2.313 625 A HA 0.897 5.217 4.320 -0.000 0.000 0.323 625 A C -0.902 177.065 177.584 0.637 0.000 1.133 625 A CA -0.656 51.768 52.037 0.645 0.000 0.847 625 A CB 1.861 21.138 19.000 0.462 0.000 1.308 625 A HN 0.763 nan 8.150 nan 0.000 0.475 626 I N 0.884 121.730 120.570 0.460 0.000 2.619 626 I HA 0.684 4.854 4.170 -0.000 0.000 0.292 626 I C -1.881 174.474 176.117 0.396 0.000 1.100 626 I CA -0.642 60.838 61.300 0.300 0.000 1.043 626 I CB 1.554 39.408 38.000 -0.244 0.000 1.239 626 I HN 0.910 nan 8.210 nan 0.000 0.420 627 W N 7.465 128.885 121.300 0.201 0.000 3.217 627 W HA 0.825 5.485 4.660 -0.000 0.000 0.323 627 W C -1.568 175.090 176.519 0.233 0.000 1.216 627 W CA -1.048 56.428 57.345 0.219 0.000 1.194 627 W CB 1.213 30.857 29.460 0.306 0.000 1.397 627 W HN 0.781 nan 8.180 nan 0.000 0.537 628 G N 1.713 110.422 108.800 -0.151 0.000 2.698 628 G HA2 0.520 4.480 3.960 -0.000 0.000 0.293 628 G HA3 0.520 4.480 3.960 -0.000 0.000 0.293 628 G C -2.603 172.199 174.900 -0.163 0.000 1.437 628 G CA -0.662 44.218 45.100 -0.367 0.000 0.852 628 G HN 0.596 nan 8.290 nan 0.000 0.499 629 W N 0.811 121.924 121.300 -0.312 0.000 2.647 629 W HA 0.546 5.206 4.660 -0.000 0.000 0.353 629 W C 1.030 177.507 176.519 -0.069 0.000 1.080 629 W CA 0.474 57.719 57.345 -0.167 0.000 1.208 629 W CB 1.732 31.084 29.460 -0.179 0.000 1.396 629 W HN 1.013 nan 8.180 nan 0.000 0.573 630 S N 1.418 117.352 115.700 0.391 0.000 4.137 630 S HA -0.445 4.025 4.470 -0.000 0.000 0.550 630 S C 0.920 175.667 174.600 0.245 0.000 1.887 630 S CA 1.884 60.322 58.200 0.397 0.000 4.230 630 S CB -1.650 61.853 63.200 0.506 0.000 0.378 630 S HN 0.762 nan 8.310 nan 0.000 0.490 631 Y N 3.200 123.610 120.300 0.184 0.000 2.293 631 Y HA 0.046 4.596 4.550 -0.000 0.000 0.291 631 Y C 2.497 178.609 175.900 0.354 0.000 1.137 631 Y CA 1.809 60.092 58.100 0.305 0.000 1.202 631 Y CB -0.958 37.789 38.460 0.479 0.000 0.990 631 Y HN 0.529 nan 8.280 nan 0.000 0.537 632 G N -0.411 108.700 108.800 0.518 0.000 2.446 632 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.217 632 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.217 632 G C 1.903 176.898 174.900 0.158 0.000 1.168 632 G CA 0.813 46.108 45.100 0.324 0.000 0.771 632 G HN 0.568 nan 8.290 nan 0.000 0.551 633 G N 0.077 108.946 108.800 0.115 0.000 2.513 633 G HA2 -0.359 3.600 3.960 -0.000 0.000 0.219 633 G HA3 -0.359 3.600 3.960 -0.000 0.000 0.219 633 G C 1.622 176.558 174.900 0.060 0.000 1.160 633 G CA 1.325 46.457 45.100 0.053 0.000 0.767 633 G HN 0.528 nan 8.290 nan 0.000 0.571 634 Y N 0.949 121.194 120.300 -0.091 0.000 2.097 634 Y HA -0.180 4.370 4.550 -0.000 0.000 0.282 634 Y C 2.857 178.688 175.900 -0.114 0.000 1.152 634 Y CA 2.041 60.027 58.100 -0.190 0.000 1.136 634 Y CB -0.260 37.944 38.460 -0.426 0.000 0.975 634 Y HN 0.050 nan 8.280 nan 0.000 0.498 635 V N -0.225 119.589 119.914 -0.167 0.000 2.358 635 V HA -0.304 3.816 4.120 -0.000 0.000 0.246 635 V C 2.308 178.295 176.094 -0.179 0.000 1.047 635 V CA 2.326 64.508 62.300 -0.196 0.000 1.035 635 V CB -1.086 30.791 31.823 0.090 0.000 0.658 635 V HN 0.504 nan 8.190 nan 0.000 0.452 636 T N -0.007 114.500 114.554 -0.078 0.000 2.684 636 T HA -0.207 4.143 4.350 -0.000 0.000 0.267 636 T C 2.161 176.796 174.700 -0.109 0.000 1.036 636 T CA 2.063 64.120 62.100 -0.071 0.000 1.148 636 T CB -0.281 68.623 68.868 0.061 0.000 0.863 636 T HN 0.528 nan 8.240 nan 0.000 0.436 637 S N 1.029 116.692 115.700 -0.062 0.000 2.370 637 S HA -0.062 4.408 4.470 -0.000 0.000 0.226 637 S C 2.142 176.630 174.600 -0.188 0.000 1.033 637 S CA 1.023 59.191 58.200 -0.053 0.000 1.011 637 S CB -0.298 62.914 63.200 0.020 0.000 0.852 637 S HN 0.322 nan 8.310 nan 0.000 0.457 638 M N 0.824 120.228 119.600 -0.326 0.000 2.086 638 M HA -0.034 4.446 4.480 -0.000 0.000 0.261 638 M C 2.285 178.402 176.300 -0.306 0.000 1.067 638 M CA 1.156 56.247 55.300 -0.347 0.000 1.116 638 M CB -1.409 30.896 32.600 -0.492 0.000 1.348 638 M HN 0.180 nan 8.290 nan 0.000 0.407 639 V N 0.778 120.511 119.914 -0.302 0.000 2.332 639 V HA -0.253 3.866 4.120 -0.000 0.000 0.248 639 V C 2.490 178.377 176.094 -0.345 0.000 1.055 639 V CA 1.425 63.544 62.300 -0.301 0.000 1.038 639 V CB -0.637 30.950 31.823 -0.393 0.000 0.651 639 V HN 0.424 nan 8.190 nan 0.000 0.450 640 L N 0.204 121.170 121.223 -0.429 0.000 2.275 640 L HA -0.034 4.306 4.340 -0.000 0.000 0.215 640 L C 2.106 178.446 176.870 -0.883 0.000 1.119 640 L CA 1.352 55.856 54.840 -0.559 0.000 0.790 640 L CB -0.590 41.131 42.059 -0.563 0.000 0.919 640 L HN 0.483 nan 8.230 nan 0.000 0.443 641 G N -1.558 106.773 108.800 -0.781 0.000 3.337 641 G HA2 -0.005 3.955 3.960 -0.000 0.000 0.246 641 G HA3 -0.005 3.955 3.960 -0.000 0.000 0.246 641 G C 1.420 176.130 174.900 -0.317 0.000 1.131 641 G CA 0.538 45.241 45.100 -0.660 0.000 0.773 641 G HN 0.394 nan 8.290 nan 0.000 0.544 642 S N -0.699 114.843 115.700 -0.262 0.000 2.446 642 S HA 0.301 4.771 4.470 -0.000 0.000 0.225 642 S C 1.977 176.508 174.600 -0.114 0.000 1.016 642 S CA 1.155 59.262 58.200 -0.155 0.000 0.943 642 S CB -0.087 63.042 63.200 -0.119 0.000 0.786 642 S HN 1.372 nan 8.310 nan 0.000 0.508 643 G N 1.186 109.911 108.800 -0.125 0.000 2.141 643 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.242 643 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.242 643 G C 1.031 175.904 174.900 -0.045 0.000 0.982 643 G CA 0.973 46.025 45.100 -0.081 0.000 0.662 643 G HN 1.279 nan 8.290 nan 0.000 0.527 644 S N -0.317 115.367 115.700 -0.028 0.000 2.399 644 S HA 0.253 4.723 4.470 -0.000 0.000 0.231 644 S C 2.650 177.244 174.600 -0.009 0.000 1.022 644 S CA 1.978 60.175 58.200 -0.005 0.000 0.983 644 S CB -0.354 62.870 63.200 0.040 0.000 0.803 644 S HN 2.481 nan 8.310 nan 0.000 0.480 645 G N -0.339 108.462 108.800 0.002 0.000 2.176 645 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.253 645 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.253 645 G C 0.778 175.663 174.900 -0.024 0.000 0.979 645 G CA 0.395 45.490 45.100 -0.008 0.000 0.641 645 G HN 0.710 nan 8.290 nan 0.000 0.530 646 V N -0.224 119.669 119.914 -0.035 0.000 2.346 646 V HA 0.269 4.388 4.120 -0.000 0.000 0.244 646 V C 1.381 177.315 176.094 -0.267 0.000 1.037 646 V CA 1.534 63.709 62.300 -0.208 0.000 1.029 646 V CB -0.415 31.185 31.823 -0.372 0.000 0.663 646 V HN 0.269 nan 8.190 nan 0.000 0.454 647 F N 0.719 120.674 119.950 0.009 0.000 2.404 647 F HA 0.335 4.862 4.527 -0.000 0.000 0.345 647 F C 1.229 177.072 175.800 0.071 0.000 1.110 647 F CA -0.321 57.714 58.000 0.059 0.000 1.130 647 F CB 1.115 40.153 39.000 0.065 0.000 1.129 647 F HN -0.117 nan 8.300 nan 0.000 0.500 648 K N 2.313 122.876 120.400 0.272 0.000 2.021 648 K HA 0.031 4.351 4.320 -0.000 0.000 0.205 648 K C 0.378 177.123 176.600 0.242 0.000 1.047 648 K CA 1.210 57.626 56.287 0.214 0.000 0.943 648 K CB 0.124 32.748 32.500 0.207 0.000 0.725 648 K HN 0.786 nan 8.250 nan 0.000 0.439 649 c N -2.241 116.547 118.600 0.313 0.000 3.336 649 c HA 0.944 5.514 4.570 -0.000 0.000 0.352 649 c C -0.076 174.270 174.090 0.427 0.000 1.567 649 c CA -0.191 56.345 56.329 0.346 0.000 1.328 649 c CB 1.043 43.683 42.510 0.217 0.000 1.922 649 c HN 0.547 nan 8.230 nan 0.000 0.439 650 G N -0.240 108.896 108.800 0.560 0.000 2.368 650 G HA2 0.595 4.555 3.960 -0.000 0.000 0.293 650 G HA3 0.595 4.555 3.960 -0.000 0.000 0.293 650 G C -2.199 172.938 174.900 0.395 0.000 1.467 650 G CA -0.632 44.755 45.100 0.479 0.000 0.804 650 G HN 1.027 nan 8.290 nan 0.000 0.535 651 I N 0.746 121.506 120.570 0.317 0.000 2.447 651 I HA 0.615 4.785 4.170 -0.000 0.000 0.287 651 I C 0.261 176.500 176.117 0.203 0.000 1.023 651 I CA -0.906 60.459 61.300 0.107 0.000 1.083 651 I CB 2.208 40.250 38.000 0.070 0.000 1.245 651 I HN 0.733 nan 8.210 nan 0.000 0.434 652 A N 6.554 129.405 122.820 0.052 0.000 2.271 652 A HA 0.768 5.088 4.320 -0.000 0.000 0.317 652 A C -0.683 176.810 177.584 -0.152 0.000 1.245 652 A CA -0.493 51.572 52.037 0.047 0.000 0.857 652 A CB 0.968 20.077 19.000 0.181 0.000 1.175 652 A HN 0.444 nan 8.150 nan 0.000 0.512 653 V N 2.372 122.140 119.914 -0.244 0.000 2.357 653 V HA 0.545 4.665 4.120 -0.000 0.000 0.284 653 V C 0.893 176.521 176.094 -0.776 0.000 1.018 653 V CA 0.385 62.296 62.300 -0.648 0.000 0.841 653 V CB 0.515 31.629 31.823 -1.181 0.000 0.991 653 V HN 2.073 nan 8.190 nan 0.000 0.437 654 A N 5.774 128.149 122.820 -0.741 0.000 2.610 654 A HA -0.098 4.222 4.320 -0.000 0.000 0.299 654 A C -1.762 175.644 177.584 -0.297 0.000 1.487 654 A CA 0.372 51.897 52.037 -0.854 0.000 0.743 654 A CB -1.581 17.002 19.000 -0.695 0.000 1.070 654 A HN 0.611 nan 8.150 nan 0.000 0.439 655 P HA 0.412 nan 4.420 nan 0.000 0.277 655 P C 0.164 177.443 177.300 -0.035 0.000 1.240 655 P CA -0.144 62.935 63.100 -0.036 0.000 0.798 655 P CB 1.280 32.986 31.700 0.011 0.000 0.979 656 V N 2.595 122.416 119.914 -0.154 0.000 2.614 656 V HA 0.032 4.152 4.120 -0.000 0.000 0.291 656 V C 1.859 177.829 176.094 -0.207 0.000 1.049 656 V CA 0.880 62.960 62.300 -0.367 0.000 1.038 656 V CB 0.616 31.837 31.823 -1.004 0.000 0.980 656 V HN 0.799 nan 8.190 nan 0.000 0.481 657 S N 4.658 120.271 115.700 -0.146 0.000 2.502 657 S HA 0.194 4.664 4.470 -0.000 0.000 0.228 657 S C 0.611 175.118 174.600 -0.155 0.000 1.061 657 S CA -0.251 57.924 58.200 -0.040 0.000 0.935 657 S CB 0.246 63.476 63.200 0.051 0.000 0.809 657 S HN 0.830 nan 8.310 nan 0.000 0.510 658 R N -1.315 118.974 120.500 -0.353 0.000 2.566 658 R HA 0.331 4.671 4.340 -0.000 0.000 0.271 658 R C -0.999 175.019 176.300 -0.470 0.000 1.071 658 R CA -0.845 54.976 56.100 -0.464 0.000 0.915 658 R CB -0.060 29.966 30.300 -0.457 0.000 1.228 658 R HN 0.191 nan 8.270 nan 0.000 0.449 659 W N 1.601 122.835 121.300 -0.110 0.000 2.392 659 W HA -0.030 4.630 4.660 -0.000 0.000 0.279 659 W C 1.406 178.087 176.519 0.271 0.000 1.225 659 W CA 0.921 58.289 57.345 0.038 0.000 1.233 659 W CB 0.143 29.507 29.460 -0.160 0.000 1.122 659 W HN 0.768 nan 8.180 nan 0.000 0.561 660 E N -0.779 119.643 120.200 0.370 0.000 2.171 660 E HA -0.239 4.110 4.350 -0.000 0.000 0.197 660 E C 1.612 178.401 176.600 0.315 0.000 0.997 660 E CA 1.441 57.989 56.400 0.247 0.000 0.810 660 E CB -0.532 29.195 29.700 0.044 0.000 0.738 660 E HN 0.336 nan 8.360 nan 0.000 0.467 661 Y N -1.445 118.972 120.300 0.196 0.000 2.457 661 Y HA 0.013 4.563 4.550 -0.000 0.000 0.292 661 Y C 0.874 176.902 175.900 0.212 0.000 1.125 661 Y CA -0.103 58.084 58.100 0.146 0.000 1.254 661 Y CB -0.627 37.865 38.460 0.054 0.000 1.012 661 Y HN 0.048 nan 8.280 nan 0.000 0.555 662 Y N 1.663 122.136 120.300 0.288 0.000 2.408 662 Y HA 0.278 4.828 4.550 -0.000 0.000 0.324 662 Y C 0.064 176.201 175.900 0.395 0.000 1.302 662 Y CA -2.143 56.129 58.100 0.287 0.000 1.384 662 Y CB 0.382 39.004 38.460 0.271 0.000 1.367 662 Y HN 0.152 nan 8.280 nan 0.000 0.525 663 D N -0.346 119.817 120.400 -0.395 0.000 2.350 663 D HA 0.154 4.794 4.640 -0.000 0.000 0.249 663 D C 0.966 177.260 176.300 -0.011 0.000 1.119 663 D CA 0.252 54.079 54.000 -0.288 0.000 0.886 663 D CB 1.195 41.591 40.800 -0.673 0.000 1.195 663 D HN 0.535 nan 8.370 nan 0.000 0.437 664 S N 2.156 117.866 115.700 0.016 0.000 2.393 664 S HA -0.336 4.134 4.470 -0.000 0.000 0.235 664 S C 1.867 176.492 174.600 0.040 0.000 1.061 664 S CA 1.533 59.780 58.200 0.079 0.000 1.129 664 S CB -1.193 62.055 63.200 0.080 0.000 1.011 664 S HN 0.451 nan 8.310 nan 0.000 0.436 665 V N 1.131 120.995 119.914 -0.083 0.000 2.231 665 V HA -0.236 3.884 4.120 -0.000 0.000 0.250 665 V C 2.307 178.322 176.094 -0.132 0.000 1.058 665 V CA 2.524 64.676 62.300 -0.248 0.000 1.022 665 V CB -1.159 30.359 31.823 -0.509 0.000 0.640 665 V HN 0.643 nan 8.190 nan 0.000 0.445 666 Y N 1.065 121.311 120.300 -0.090 0.000 2.133 666 Y HA -0.233 4.317 4.550 -0.000 0.000 0.287 666 Y C 2.695 178.633 175.900 0.064 0.000 1.134 666 Y CA 2.313 60.440 58.100 0.045 0.000 1.133 666 Y CB -0.626 38.050 38.460 0.360 0.000 0.987 666 Y HN 0.286 nan 8.280 nan 0.000 0.502 667 T N 0.473 115.236 114.554 0.348 0.000 2.580 667 T HA -0.255 4.095 4.350 -0.000 0.000 0.265 667 T C 1.582 176.257 174.700 -0.041 0.000 1.063 667 T CA 2.072 64.316 62.100 0.239 0.000 1.170 667 T CB -0.515 68.652 68.868 0.499 0.000 0.863 667 T HN 0.442 nan 8.240 nan 0.000 0.418 668 E N 0.699 120.920 120.200 0.034 0.000 2.097 668 E HA -0.187 4.163 4.350 -0.000 0.000 0.196 668 E C 2.390 178.900 176.600 -0.149 0.000 1.000 668 E CA 0.842 57.252 56.400 0.017 0.000 0.804 668 E CB -0.227 29.522 29.700 0.081 0.000 0.740 668 E HN 0.319 nan 8.360 nan 0.000 0.454 669 R N 0.111 120.402 120.500 -0.349 0.000 2.133 669 R HA -0.226 4.114 4.340 -0.000 0.000 0.247 669 R C 1.270 177.121 176.300 -0.747 0.000 1.151 669 R CA 1.787 57.517 56.100 -0.617 0.000 0.971 669 R CB -0.071 29.598 30.300 -1.052 0.000 0.866 669 R HN 0.299 nan 8.270 nan 0.000 0.447 670 Y N -2.488 117.515 120.300 -0.495 0.000 2.462 670 Y HA 0.210 4.759 4.550 -0.000 0.000 0.253 670 Y C 1.819 177.533 175.900 -0.309 0.000 1.095 670 Y CA -0.015 57.771 58.100 -0.524 0.000 1.283 670 Y CB 0.431 38.424 38.460 -0.778 0.000 1.138 670 Y HN -0.048 nan 8.280 nan 0.000 0.522 671 M N -0.814 118.684 119.600 -0.170 0.000 2.449 671 M HA 0.377 4.857 4.480 -0.000 0.000 0.262 671 M C 0.932 177.247 176.300 0.025 0.000 1.152 671 M CA 0.947 56.146 55.300 -0.169 0.000 1.104 671 M CB -0.029 32.326 32.600 -0.409 0.000 1.416 671 M HN 0.288 nan 8.290 nan 0.000 0.519 672 G N 1.630 110.471 108.800 0.068 0.000 2.760 672 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.246 672 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.246 672 G C -0.874 174.168 174.900 0.237 0.000 1.359 672 G CA -0.893 44.286 45.100 0.132 0.000 0.861 672 G HN 0.256 nan 8.290 nan 0.000 0.541 673 L N 1.223 122.539 121.223 0.156 0.000 2.418 673 L HA 0.486 4.826 4.340 -0.000 0.000 0.265 673 L C -1.242 175.625 176.870 -0.005 0.000 1.143 673 L CA -1.251 53.641 54.840 0.086 0.000 0.809 673 L CB 1.162 43.242 42.059 0.036 0.000 1.124 673 L HN 0.407 nan 8.230 nan 0.000 0.456 674 P HA 0.092 nan 4.420 nan 0.000 0.236 674 P C -0.519 176.657 177.300 -0.206 0.000 1.709 674 P CA -0.302 62.472 63.100 -0.544 0.000 0.942 674 P CB -0.463 30.698 31.700 -0.899 0.000 1.615 675 T N -3.513 110.991 114.554 -0.083 0.000 2.913 675 T HA 0.334 4.684 4.350 -0.000 0.000 0.287 675 T C -1.902 172.793 174.700 -0.007 0.000 1.008 675 T CA -2.233 59.845 62.100 -0.037 0.000 1.067 675 T CB 0.970 69.829 68.868 -0.014 0.000 0.996 675 T HN -0.212 nan 8.240 nan 0.000 0.513 676 P HA -0.056 nan 4.420 nan 0.000 0.226 676 P C 0.825 178.139 177.300 0.024 0.000 1.146 676 P CA 0.776 63.885 63.100 0.015 0.000 0.773 676 P CB 0.063 31.770 31.700 0.011 0.000 0.772 677 E N -1.887 118.325 120.200 0.021 0.000 2.609 677 E HA 0.155 4.505 4.350 -0.000 0.000 0.208 677 E C 0.149 176.768 176.600 0.032 0.000 1.013 677 E CA 0.009 56.423 56.400 0.025 0.000 1.093 677 E CB 0.114 29.824 29.700 0.017 0.000 1.129 677 E HN 0.161 nan 8.360 nan 0.000 0.450 678 D N 0.454 120.881 120.400 0.045 0.000 2.957 678 D HA 0.059 4.699 4.640 -0.000 0.000 0.175 678 D C 0.457 176.814 176.300 0.095 0.000 1.502 678 D CA 0.032 54.069 54.000 0.062 0.000 1.524 678 D CB 0.284 41.120 40.800 0.060 0.000 1.300 678 D HN 0.073 nan 8.370 nan 0.000 0.241 679 N N 0.153 118.937 118.700 0.140 0.000 1.986 679 N HA 0.009 4.749 4.740 -0.000 0.000 0.227 679 N C 1.525 177.222 175.510 0.311 0.000 1.387 679 N CA -0.040 53.144 53.050 0.223 0.000 0.810 679 N CB 0.654 39.304 38.487 0.271 0.000 1.140 679 N HN 0.100 nan 8.380 nan 0.000 0.504 680 L N 1.913 123.241 121.223 0.176 0.000 2.054 680 L HA -0.242 4.098 4.340 -0.000 0.000 0.220 680 L C 1.299 178.284 176.870 0.193 0.000 1.081 680 L CA 2.157 57.069 54.840 0.119 0.000 0.780 680 L CB -0.578 41.494 42.059 0.021 0.000 0.893 680 L HN 0.084 nan 8.230 nan 0.000 0.438 681 D N -1.664 118.833 120.400 0.162 0.000 2.133 681 D HA -0.270 4.370 4.640 -0.000 0.000 0.195 681 D C 2.079 178.485 176.300 0.177 0.000 0.997 681 D CA 1.932 56.018 54.000 0.143 0.000 0.840 681 D CB -0.264 40.608 40.800 0.120 0.000 0.947 681 D HN 0.663 nan 8.370 nan 0.000 0.452 682 H N -0.786 118.365 119.070 0.135 0.000 2.363 682 H HA -0.070 4.486 4.556 -0.000 0.000 0.301 682 H C 1.804 177.205 175.328 0.122 0.000 1.074 682 H CA 1.257 57.361 56.048 0.094 0.000 1.354 682 H CB -0.399 29.388 29.762 0.041 0.000 1.397 682 H HN 0.123 nan 8.280 nan 0.000 0.516 683 Y N 0.630 120.966 120.300 0.060 0.000 2.132 683 Y HA -0.300 4.250 4.550 -0.000 0.000 0.280 683 Y C 2.546 178.433 175.900 -0.021 0.000 1.193 683 Y CA 1.817 59.947 58.100 0.049 0.000 1.157 683 Y CB -0.014 38.494 38.460 0.081 0.000 0.966 683 Y HN 0.183 nan 8.280 nan 0.000 0.511 684 R N -0.193 120.389 120.500 0.137 0.000 2.148 684 R HA -0.084 4.256 4.340 -0.000 0.000 0.227 684 R C 1.121 177.413 176.300 -0.014 0.000 1.103 684 R CA 1.110 57.241 56.100 0.051 0.000 0.983 684 R CB -0.507 29.825 30.300 0.053 0.000 0.874 684 R HN 0.416 nan 8.270 nan 0.000 0.451 685 N N -0.110 118.541 118.700 -0.082 0.000 2.353 685 N HA -0.035 4.705 4.740 -0.000 0.000 0.185 685 N C 0.859 176.271 175.510 -0.165 0.000 1.098 685 N CA 0.558 53.538 53.050 -0.115 0.000 0.872 685 N CB 0.354 38.783 38.487 -0.096 0.000 0.970 685 N HN 0.134 nan 8.380 nan 0.000 0.467 686 S N -1.294 114.292 115.700 -0.191 0.000 2.540 686 S HA 0.048 4.517 4.470 -0.000 0.000 0.218 686 S C 0.825 175.507 174.600 0.137 0.000 0.977 686 S CA -0.553 57.631 58.200 -0.028 0.000 0.918 686 S CB -0.511 62.675 63.200 -0.022 0.000 0.806 686 S HN 0.281 nan 8.310 nan 0.000 0.496 687 T N -0.538 114.038 114.554 0.036 0.000 2.884 687 T HA 0.413 4.763 4.350 -0.000 0.000 0.298 687 T C 1.160 175.868 174.700 0.013 0.000 0.998 687 T CA -0.240 61.869 62.100 0.015 0.000 1.124 687 T CB 1.559 70.404 68.868 -0.037 0.000 0.931 687 T HN 0.079 nan 8.240 nan 0.000 0.531 688 V N 3.752 123.674 119.914 0.014 0.000 2.548 688 V HA -0.067 4.053 4.120 -0.000 0.000 0.249 688 V C 2.230 178.317 176.094 -0.011 0.000 1.055 688 V CA 1.579 63.872 62.300 -0.012 0.000 1.065 688 V CB -0.963 30.843 31.823 -0.028 0.000 0.681 688 V HN 0.932 nan 8.190 nan 0.000 0.462 689 M N 1.034 120.614 119.600 -0.032 0.000 2.143 689 M HA -0.173 4.307 4.480 -0.000 0.000 0.258 689 M C 2.483 178.773 176.300 -0.018 0.000 1.071 689 M CA 2.352 57.627 55.300 -0.042 0.000 1.088 689 M CB -1.173 31.410 32.600 -0.028 0.000 1.360 689 M HN 0.581 nan 8.290 nan 0.000 0.404 690 S N 0.457 116.151 115.700 -0.009 0.000 2.374 690 S HA -0.187 4.283 4.470 -0.000 0.000 0.227 690 S C 1.896 176.500 174.600 0.007 0.000 1.037 690 S CA 1.381 59.578 58.200 -0.004 0.000 1.024 690 S CB -0.178 63.015 63.200 -0.011 0.000 0.861 690 S HN 0.586 nan 8.310 nan 0.000 0.456 691 R N 0.799 121.312 120.500 0.022 0.000 2.320 691 R HA 0.368 4.708 4.340 -0.000 0.000 0.211 691 R C 2.278 178.658 176.300 0.132 0.000 0.931 691 R CA 0.431 56.551 56.100 0.033 0.000 1.071 691 R CB -0.389 29.901 30.300 -0.017 0.000 1.025 691 R HN 0.488 nan 8.270 nan 0.000 0.495 692 A N 2.128 125.024 122.820 0.127 0.000 1.881 692 A HA -0.336 3.984 4.320 -0.000 0.000 0.219 692 A C 2.086 179.789 177.584 0.198 0.000 1.215 692 A CA 2.122 54.245 52.037 0.143 0.000 0.648 692 A CB -0.502 18.491 19.000 -0.010 0.000 0.832 692 A HN 0.366 nan 8.150 nan 0.000 0.455 693 E N 0.283 120.541 120.200 0.096 0.000 2.233 693 E HA -0.224 4.126 4.350 -0.000 0.000 0.199 693 E C 1.398 178.041 176.600 0.071 0.000 1.004 693 E CA 1.773 58.217 56.400 0.073 0.000 0.819 693 E CB -0.283 29.440 29.700 0.038 0.000 0.738 693 E HN 0.612 nan 8.360 nan 0.000 0.478 694 N N -0.699 118.030 118.700 0.048 0.000 2.494 694 N HA -0.048 4.692 4.740 -0.000 0.000 0.182 694 N C 0.401 175.834 175.510 -0.129 0.000 1.076 694 N CA 0.422 53.435 53.050 -0.060 0.000 0.908 694 N CB -0.152 38.245 38.487 -0.151 0.000 0.967 694 N HN 0.235 nan 8.380 nan 0.000 0.449 695 F N 1.308 121.214 119.950 -0.072 0.000 2.771 695 F HA 0.089 4.616 4.527 -0.000 0.000 0.299 695 F C 1.841 177.652 175.800 0.017 0.000 1.177 695 F CA 0.468 58.432 58.000 -0.061 0.000 1.450 695 F CB 0.076 39.007 39.000 -0.116 0.000 1.114 695 F HN -0.049 nan 8.300 nan 0.000 0.587 696 K N -0.107 120.383 120.400 0.149 0.000 2.211 696 K HA -0.172 4.148 4.320 -0.000 0.000 0.203 696 K C 1.702 178.356 176.600 0.090 0.000 1.050 696 K CA 1.102 57.460 56.287 0.119 0.000 0.945 696 K CB -0.183 32.367 32.500 0.083 0.000 0.732 696 K HN 0.377 nan 8.250 nan 0.000 0.451 697 Q N 0.419 120.249 119.800 0.049 0.000 2.432 697 Q HA -0.011 4.329 4.340 -0.000 0.000 0.205 697 Q C 0.430 176.469 176.000 0.064 0.000 0.945 697 Q CA 0.293 56.119 55.803 0.038 0.000 0.924 697 Q CB 0.533 29.271 28.738 0.000 0.000 1.016 697 Q HN 0.152 nan 8.270 nan 0.000 0.503 698 V N -2.642 117.325 119.914 0.088 0.000 2.960 698 V HA 0.460 4.580 4.120 -0.000 0.000 0.315 698 V C -0.993 175.259 176.094 0.263 0.000 1.087 698 V CA -1.190 61.197 62.300 0.145 0.000 0.982 698 V CB 2.154 34.017 31.823 0.068 0.000 1.039 698 V HN -0.035 nan 8.190 nan 0.000 0.437 699 E N 2.275 122.659 120.200 0.307 0.000 2.081 699 E HA 0.387 4.737 4.350 -0.000 0.000 0.276 699 E C -1.741 175.253 176.600 0.655 0.000 0.950 699 E CA -0.362 56.283 56.400 0.409 0.000 0.776 699 E CB 1.468 31.323 29.700 0.258 0.000 1.094 699 E HN 0.691 nan 8.360 nan 0.000 0.402 700 Y N 3.586 124.161 120.300 0.459 0.000 2.341 700 Y HA 0.418 4.968 4.550 -0.000 0.000 0.337 700 Y C -1.366 174.599 175.900 0.109 0.000 1.014 700 Y CA -1.625 56.680 58.100 0.341 0.000 1.111 700 Y CB 0.890 39.570 38.460 0.366 0.000 1.194 700 Y HN 0.397 nan 8.280 nan 0.000 0.462 701 L N 7.911 128.839 121.223 -0.493 0.000 2.305 701 L HA 0.549 4.889 4.340 -0.000 0.000 0.284 701 L C -2.008 174.393 176.870 -0.781 0.000 1.013 701 L CA -0.848 53.516 54.840 -0.793 0.000 0.819 701 L CB 1.224 42.460 42.059 -1.372 0.000 1.227 701 L HN 0.638 nan 8.230 nan 0.000 0.417 702 L N 6.830 127.669 121.223 -0.639 0.000 2.298 702 L HA 0.656 4.996 4.340 -0.000 0.000 0.284 702 L C -1.101 175.640 176.870 -0.214 0.000 1.013 702 L CA 0.075 54.605 54.840 -0.517 0.000 0.824 702 L CB 0.928 42.700 42.059 -0.479 0.000 1.221 702 L HN 0.589 nan 8.230 nan 0.000 0.418 703 I N 4.738 125.192 120.570 -0.194 0.000 2.509 703 I HA 0.476 4.646 4.170 -0.000 0.000 0.293 703 I C -0.930 175.155 176.117 -0.053 0.000 1.020 703 I CA -0.556 60.697 61.300 -0.079 0.000 1.088 703 I CB 1.796 39.724 38.000 -0.119 0.000 1.267 703 I HN 0.659 nan 8.210 nan 0.000 0.430 704 H N 2.621 121.733 119.070 0.069 0.000 3.029 704 H HA 0.504 5.060 4.556 -0.000 0.000 0.358 704 H C -0.296 175.236 175.328 0.341 0.000 1.129 704 H CA -0.698 55.431 56.048 0.135 0.000 1.230 704 H CB 1.854 31.662 29.762 0.077 0.000 1.827 704 H HN 0.740 nan 8.280 nan 0.000 0.530 705 G N 1.003 110.149 108.800 0.577 0.000 2.403 705 G HA2 0.184 4.144 3.960 -0.000 0.000 0.259 705 G HA3 0.184 4.144 3.960 -0.000 0.000 0.259 705 G C 1.150 176.295 174.900 0.409 0.000 1.244 705 G CA 0.153 45.529 45.100 0.460 0.000 0.849 705 G HN 0.749 nan 8.290 nan 0.000 0.532 706 T N -0.914 113.741 114.554 0.168 0.000 3.055 706 T HA 0.157 4.507 4.350 -0.000 0.000 0.265 706 T C 1.540 176.180 174.700 -0.101 0.000 1.111 706 T CA 1.217 63.243 62.100 -0.123 0.000 1.118 706 T CB 0.202 68.933 68.868 -0.228 0.000 0.909 706 T HN 0.745 nan 8.240 nan 0.000 0.501 707 A N 0.998 123.806 122.820 -0.021 0.000 2.827 707 A HA 0.362 4.682 4.320 -0.000 0.000 0.300 707 A C 0.136 177.625 177.584 -0.158 0.000 1.237 707 A CA -0.557 51.403 52.037 -0.129 0.000 0.964 707 A CB -0.186 18.962 19.000 0.248 0.000 1.143 707 A HN 0.358 nan 8.150 nan 0.000 0.554 708 D N 1.430 121.771 120.400 -0.100 0.000 2.338 708 D HA 0.035 4.675 4.640 -0.000 0.000 0.255 708 D C 0.399 176.656 176.300 -0.072 0.000 1.237 708 D CA 0.045 54.105 54.000 0.101 0.000 0.883 708 D CB 0.844 41.871 40.800 0.378 0.000 1.087 708 D HN 0.541 nan 8.370 nan 0.000 0.485 709 D N 2.487 122.898 120.400 0.020 0.000 2.249 709 D HA -0.133 4.507 4.640 -0.000 0.000 0.205 709 D C 1.165 177.397 176.300 -0.112 0.000 0.962 709 D CA 0.338 54.294 54.000 -0.072 0.000 0.860 709 D CB 0.094 40.725 40.800 -0.280 0.000 0.955 709 D HN 0.466 nan 8.370 nan 0.000 0.505 710 N N 0.023 118.775 118.700 0.086 0.000 2.178 710 N HA -0.047 4.693 4.740 -0.000 0.000 0.189 710 N C -0.221 175.217 175.510 -0.121 0.000 1.048 710 N CA 0.425 53.578 53.050 0.171 0.000 0.855 710 N CB 0.621 39.197 38.487 0.148 0.000 1.028 710 N HN -0.152 nan 8.380 nan 0.000 0.441 711 V N 2.211 122.059 119.914 -0.109 0.000 2.293 711 V HA 0.224 4.344 4.120 -0.000 0.000 0.275 711 V C -0.993 175.164 176.094 0.105 0.000 1.021 711 V CA -0.455 61.827 62.300 -0.029 0.000 0.815 711 V CB 0.341 32.204 31.823 0.067 0.000 1.025 711 V HN 0.324 nan 8.190 nan 0.000 0.448 712 H N 3.153 122.232 119.070 0.016 0.000 2.871 712 H HA 0.045 4.601 4.556 -0.000 0.000 0.355 712 H C 0.769 175.939 175.328 -0.264 0.000 1.092 712 H CA -0.124 55.844 56.048 -0.134 0.000 1.420 712 H CB 0.841 30.445 29.762 -0.265 0.000 1.400 712 H HN 0.595 nan 8.280 nan 0.000 0.604 713 F N 1.645 121.354 119.950 -0.402 0.000 2.147 713 F HA -0.320 4.207 4.527 -0.000 0.000 0.301 713 F C 2.605 178.151 175.800 -0.423 0.000 1.084 713 F CA 1.906 59.503 58.000 -0.671 0.000 1.268 713 F CB -0.260 38.519 39.000 -0.369 0.000 1.009 713 F HN 0.680 nan 8.300 nan 0.000 0.486 714 Q N 0.069 119.750 119.800 -0.199 0.000 2.124 714 Q HA -0.363 3.976 4.340 -0.000 0.000 0.215 714 Q C 2.167 177.950 176.000 -0.363 0.000 1.015 714 Q CA 2.734 58.360 55.803 -0.296 0.000 0.890 714 Q CB -0.368 28.154 28.738 -0.360 0.000 0.966 714 Q HN 0.597 nan 8.270 nan 0.000 0.412 715 Q N -0.485 119.157 119.800 -0.263 0.000 2.030 715 Q HA -0.136 4.204 4.340 -0.000 0.000 0.204 715 Q C 2.296 178.227 176.000 -0.115 0.000 0.986 715 Q CA 1.818 57.587 55.803 -0.057 0.000 0.843 715 Q CB -0.190 28.595 28.738 0.079 0.000 0.904 715 Q HN 0.348 nan 8.270 nan 0.000 0.420 716 S N 1.011 116.557 115.700 -0.256 0.000 2.402 716 S HA -0.054 4.415 4.470 -0.000 0.000 0.229 716 S C 2.095 176.434 174.600 -0.434 0.000 1.021 716 S CA 0.807 58.824 58.200 -0.305 0.000 0.974 716 S CB -0.188 62.829 63.200 -0.305 0.000 0.800 716 S HN 0.475 nan 8.310 nan 0.000 0.484 717 A N 1.690 124.149 122.820 -0.602 0.000 1.902 717 A HA -0.148 4.172 4.320 -0.000 0.000 0.217 717 A C 2.168 179.640 177.584 -0.186 0.000 1.181 717 A CA 1.183 52.990 52.037 -0.382 0.000 0.623 717 A CB -0.466 18.373 19.000 -0.268 0.000 0.818 717 A HN 0.367 nan 8.150 nan 0.000 0.443 718 Q N -0.292 119.419 119.800 -0.149 0.000 2.119 718 Q HA -0.054 4.286 4.340 -0.000 0.000 0.201 718 Q C 2.141 178.094 176.000 -0.079 0.000 0.972 718 Q CA 1.148 56.922 55.803 -0.049 0.000 0.847 718 Q CB -0.451 28.344 28.738 0.095 0.000 0.903 718 Q HN 0.785 nan 8.270 nan 0.000 0.433 719 I N 0.689 121.186 120.570 -0.122 0.000 2.142 719 I HA -0.295 3.875 4.170 -0.000 0.000 0.240 719 I C 2.661 178.605 176.117 -0.289 0.000 1.078 719 I CA 1.303 62.487 61.300 -0.194 0.000 1.343 719 I CB -0.513 37.385 38.000 -0.170 0.000 1.046 719 I HN 0.184 nan 8.210 nan 0.000 0.405 720 S N 1.077 116.634 115.700 -0.237 0.000 2.369 720 S HA -0.326 4.144 4.470 -0.000 0.000 0.225 720 S C 2.220 176.769 174.600 -0.086 0.000 1.043 720 S CA 1.989 60.104 58.200 -0.142 0.000 1.074 720 S CB -0.344 62.878 63.200 0.036 0.000 0.962 720 S HN 0.303 nan 8.310 nan 0.000 0.433 721 K N 0.581 120.948 120.400 -0.057 0.000 2.063 721 K HA -0.081 4.239 4.320 -0.000 0.000 0.208 721 K C 2.400 178.974 176.600 -0.044 0.000 1.048 721 K CA 1.228 57.502 56.287 -0.022 0.000 0.928 721 K CB -0.674 31.815 32.500 -0.018 0.000 0.713 721 K HN 0.493 nan 8.250 nan 0.000 0.442 722 A N 1.560 124.328 122.820 -0.086 0.000 1.865 722 A HA -0.179 4.141 4.320 -0.000 0.000 0.217 722 A C 2.191 179.707 177.584 -0.113 0.000 1.191 722 A CA 1.462 53.445 52.037 -0.090 0.000 0.623 722 A CB -0.784 18.150 19.000 -0.109 0.000 0.826 722 A HN 0.291 nan 8.150 nan 0.000 0.444 723 L N -0.441 120.645 121.223 -0.228 0.000 2.079 723 L HA -0.204 4.136 4.340 -0.000 0.000 0.210 723 L C 2.543 179.392 176.870 -0.035 0.000 1.081 723 L CA 1.277 55.969 54.840 -0.247 0.000 0.752 723 L CB -0.656 41.016 42.059 -0.645 0.000 0.896 723 L HN 0.278 nan 8.230 nan 0.000 0.433 724 V N -0.446 119.482 119.914 0.024 0.000 2.307 724 V HA -0.268 3.852 4.120 -0.000 0.000 0.245 724 V C 1.927 178.056 176.094 0.059 0.000 1.045 724 V CA 1.891 64.255 62.300 0.106 0.000 1.024 724 V CB -0.523 31.369 31.823 0.115 0.000 0.651 724 V HN 0.417 nan 8.190 nan 0.000 0.449 725 D N 0.370 120.786 120.400 0.026 0.000 2.310 725 D HA -0.090 4.550 4.640 -0.000 0.000 0.212 725 D C 1.783 178.097 176.300 0.023 0.000 0.965 725 D CA 1.463 55.476 54.000 0.022 0.000 0.879 725 D CB -0.017 40.789 40.800 0.011 0.000 0.921 725 D HN 0.566 nan 8.370 nan 0.000 0.510 726 V N -3.847 116.081 119.914 0.024 0.000 3.621 726 V HA 0.456 4.576 4.120 -0.000 0.000 0.285 726 V C 1.320 177.444 176.094 0.049 0.000 1.346 726 V CA 0.322 62.641 62.300 0.032 0.000 1.104 726 V CB -0.114 31.726 31.823 0.028 0.000 0.913 726 V HN 0.119 nan 8.190 nan 0.000 0.432 727 G N 0.551 109.388 108.800 0.061 0.000 2.212 727 G HA2 -0.173 3.786 3.960 -0.000 0.000 0.255 727 G HA3 -0.173 3.786 3.960 -0.000 0.000 0.255 727 G C -0.146 174.815 174.900 0.101 0.000 1.062 727 G CA 0.159 45.305 45.100 0.076 0.000 0.815 727 G HN 0.796 nan 8.290 nan 0.000 0.497 728 V N 0.573 120.564 119.914 0.129 0.000 2.370 728 V HA 0.468 4.588 4.120 -0.000 0.000 0.279 728 V C 0.299 176.565 176.094 0.287 0.000 1.029 728 V CA -0.519 61.886 62.300 0.176 0.000 0.870 728 V CB 1.751 33.664 31.823 0.150 0.000 0.984 728 V HN 0.448 nan 8.190 nan 0.000 0.451 729 D N 4.396 124.950 120.400 0.256 0.000 2.256 729 D HA 0.567 5.207 4.640 -0.000 0.000 0.250 729 D C -0.490 176.034 176.300 0.373 0.000 1.093 729 D CA 0.097 54.247 54.000 0.250 0.000 0.882 729 D CB 0.748 41.622 40.800 0.123 0.000 1.185 729 D HN 0.357 nan 8.370 nan 0.000 0.437 730 F N 0.185 120.194 119.950 0.098 0.000 0.000 730 F HA 0.556 5.083 4.527 -0.000 0.000 0.000 730 F C -1.156 174.680 175.800 0.060 0.000 0.000 730 F CA -1.136 56.938 58.000 0.123 0.000 0.000 730 F CB 0.919 40.002 39.000 0.138 0.000 0.000 730 F HN 0.030 nan 8.300 nan 0.000 0.000 731 Q N 1.230 121.050 119.800 0.034 0.000 2.266 731 Q HA 0.776 5.116 4.340 -0.000 0.000 0.261 731 Q C -1.051 174.868 176.000 -0.135 0.000 0.985 731 Q CA -0.851 54.876 55.803 -0.127 0.000 0.873 731 Q CB 2.033 30.745 28.738 -0.042 0.000 1.306 731 Q HN 0.983 nan 8.270 nan 0.000 0.447 732 A N 2.027 124.757 122.820 -0.149 0.000 2.486 732 A HA 0.814 5.134 4.320 -0.000 0.000 0.300 732 A C -1.323 176.231 177.584 -0.050 0.000 1.048 732 A CA -0.546 51.463 52.037 -0.046 0.000 0.696 732 A CB 1.748 20.758 19.000 0.017 0.000 1.278 732 A HN 0.597 nan 8.150 nan 0.000 0.405 733 M N 2.198 121.774 119.600 -0.039 0.000 2.277 733 M HA 0.652 5.131 4.480 -0.000 0.000 0.282 733 M C -1.928 174.319 176.300 -0.087 0.000 1.074 733 M CA -0.816 54.352 55.300 -0.220 0.000 0.954 733 M CB 1.315 33.765 32.600 -0.249 0.000 1.672 733 M HN 0.889 nan 8.290 nan 0.000 0.471 734 W N 4.540 125.684 121.300 -0.259 0.000 2.627 734 W HA 0.753 5.412 4.660 -0.000 0.000 0.339 734 W C -2.137 174.116 176.519 -0.444 0.000 1.058 734 W CA -0.909 56.354 57.345 -0.137 0.000 1.223 734 W CB 0.462 29.881 29.460 -0.068 0.000 1.389 734 W HN 0.606 nan 8.180 nan 0.000 0.541 735 Y N 2.855 123.283 120.300 0.213 0.000 2.712 735 Y HA 0.288 4.838 4.550 -0.000 0.000 0.328 735 Y C 0.602 176.591 175.900 0.149 0.000 0.995 735 Y CA -1.067 57.072 58.100 0.065 0.000 1.283 735 Y CB 0.905 39.373 38.460 0.014 0.000 1.092 735 Y HN 0.432 nan 8.280 nan 0.000 0.519 736 T N 4.532 119.247 114.554 0.268 0.000 2.800 736 T HA -0.094 4.256 4.350 -0.000 0.000 0.283 736 T C 0.289 175.033 174.700 0.074 0.000 0.999 736 T CA 0.836 63.027 62.100 0.150 0.000 1.176 736 T CB -0.175 68.731 68.868 0.064 0.000 0.973 736 T HN 0.700 nan 8.240 nan 0.000 0.519 737 D N 0.788 121.191 120.400 0.006 0.000 3.076 737 D HA -0.122 4.518 4.640 -0.000 0.000 0.218 737 D C 0.049 176.394 176.300 0.074 0.000 1.156 737 D CA 0.958 54.871 54.000 -0.144 0.000 0.921 737 D CB -0.354 40.184 40.800 -0.435 0.000 1.113 737 D HN 0.572 nan 8.370 nan 0.000 0.418 738 E N 1.303 121.598 120.200 0.159 0.000 2.227 738 E HA 0.236 4.586 4.350 -0.000 0.000 0.282 738 E C 0.805 177.555 176.600 0.249 0.000 1.015 738 E CA -0.408 56.120 56.400 0.213 0.000 0.823 738 E CB 1.339 31.172 29.700 0.223 0.000 1.081 738 E HN 0.289 nan 8.360 nan 0.000 0.396 739 D N 0.637 121.206 120.400 0.283 0.000 2.403 739 D HA -0.067 4.573 4.640 -0.000 0.000 0.278 739 D C 0.955 177.472 176.300 0.362 0.000 1.230 739 D CA -0.059 54.136 54.000 0.325 0.000 1.062 739 D CB 0.040 41.070 40.800 0.383 0.000 1.119 739 D HN 0.465 nan 8.370 nan 0.000 0.557 740 H N -1.951 117.293 119.070 0.290 0.000 2.559 740 H HA 0.193 4.749 4.556 -0.000 0.000 0.273 740 H C 1.790 177.354 175.328 0.393 0.000 1.000 740 H CA 1.430 57.678 56.048 0.334 0.000 1.195 740 H CB -0.264 29.669 29.762 0.285 0.000 1.368 740 H HN 0.465 nan 8.280 nan 0.000 0.592 741 G N -0.141 108.829 108.800 0.282 0.000 2.492 741 G HA2 -0.020 3.940 3.960 -0.000 0.000 0.214 741 G HA3 -0.020 3.940 3.960 -0.000 0.000 0.214 741 G C 0.735 175.789 174.900 0.258 0.000 1.147 741 G CA 0.292 45.465 45.100 0.122 0.000 0.809 741 G HN 0.500 nan 8.290 nan 0.000 0.533 742 I N 0.382 121.141 120.570 0.315 0.000 6.272 742 I HA -0.333 3.837 4.170 -0.000 0.000 0.126 742 I C 1.727 177.959 176.117 0.192 0.000 1.619 742 I CA 0.059 61.495 61.300 0.226 0.000 2.452 742 I CB -1.050 37.055 38.000 0.174 0.000 3.064 742 I HN 0.259 nan 8.210 nan 0.000 0.279 743 A N 0.867 123.774 122.820 0.144 0.000 2.115 743 A HA 0.176 4.496 4.320 -0.000 0.000 0.211 743 A C 1.337 178.954 177.584 0.055 0.000 1.169 743 A CA 0.710 52.794 52.037 0.079 0.000 0.787 743 A CB 0.080 19.103 19.000 0.037 0.000 0.858 743 A HN 0.668 nan 8.150 nan 0.000 0.474 744 S N -0.083 115.667 115.700 0.084 0.000 2.559 744 S HA 0.105 4.575 4.470 -0.000 0.000 0.282 744 S C 1.148 175.790 174.600 0.069 0.000 1.336 744 S CA 0.345 58.589 58.200 0.072 0.000 1.037 744 S CB 0.880 64.134 63.200 0.089 0.000 0.853 744 S HN 0.444 nan 8.310 nan 0.000 0.523 745 S N 2.186 117.914 115.700 0.047 0.000 2.377 745 S HA -0.210 4.260 4.470 -0.000 0.000 0.224 745 S C 2.203 176.853 174.600 0.083 0.000 1.042 745 S CA 2.459 60.686 58.200 0.046 0.000 1.086 745 S CB -1.624 61.590 63.200 0.023 0.000 0.995 745 S HN 1.083 nan 8.310 nan 0.000 0.428 746 T N -0.032 114.563 114.554 0.070 0.000 2.788 746 T HA 0.118 4.467 4.350 -0.000 0.000 0.268 746 T C 1.919 176.677 174.700 0.097 0.000 1.044 746 T CA 1.426 63.573 62.100 0.079 0.000 1.139 746 T CB -0.864 68.043 68.868 0.065 0.000 0.867 746 T HN 0.475 nan 8.240 nan 0.000 0.454 747 A N 1.438 124.298 122.820 0.067 0.000 1.898 747 A HA -0.087 4.233 4.320 -0.000 0.000 0.216 747 A C 2.193 179.740 177.584 -0.062 0.000 1.181 747 A CA 1.980 53.998 52.037 -0.031 0.000 0.620 747 A CB -1.239 17.727 19.000 -0.056 0.000 0.819 747 A HN 0.742 nan 8.150 nan 0.000 0.442 748 H N -0.062 118.992 119.070 -0.027 0.000 2.319 748 H HA -0.150 4.406 4.556 -0.000 0.000 0.299 748 H C 2.126 177.517 175.328 0.105 0.000 1.092 748 H CA 2.375 58.461 56.048 0.063 0.000 1.302 748 H CB -0.189 29.604 29.762 0.051 0.000 1.373 748 H HN 0.591 nan 8.280 nan 0.000 0.497 749 Q N -1.068 118.758 119.800 0.044 0.000 2.119 749 Q HA -0.180 4.160 4.340 -0.000 0.000 0.201 749 Q C 2.187 178.177 176.000 -0.016 0.000 0.972 749 Q CA 1.304 57.090 55.803 -0.027 0.000 0.847 749 Q CB -0.171 28.578 28.738 0.018 0.000 0.903 749 Q HN 0.632 nan 8.270 nan 0.000 0.433 750 H N 0.922 119.964 119.070 -0.047 0.000 2.326 750 H HA -0.052 4.504 4.556 -0.000 0.000 0.301 750 H C 2.059 177.377 175.328 -0.017 0.000 1.081 750 H CA 1.282 57.332 56.048 0.003 0.000 1.334 750 H CB -0.072 29.748 29.762 0.096 0.000 1.385 750 H HN 0.264 nan 8.280 nan 0.000 0.504 751 I N 0.187 120.728 120.570 -0.049 0.000 2.163 751 I HA -0.351 3.819 4.170 -0.000 0.000 0.243 751 I C 1.872 177.770 176.117 -0.366 0.000 1.085 751 I CA 1.454 62.620 61.300 -0.224 0.000 1.347 751 I CB -0.319 37.314 38.000 -0.611 0.000 1.044 751 I HN 0.185 nan 8.210 nan 0.000 0.408 752 Y N 0.797 120.881 120.300 -0.360 0.000 2.293 752 Y HA -0.214 4.336 4.550 -0.000 0.000 0.291 752 Y C 2.680 178.343 175.900 -0.395 0.000 1.137 752 Y CA 1.928 59.697 58.100 -0.552 0.000 1.202 752 Y CB -0.483 37.645 38.460 -0.553 0.000 0.990 752 Y HN 0.166 nan 8.280 nan 0.000 0.537 753 T N -1.798 112.677 114.554 -0.131 0.000 2.867 753 T HA -0.193 4.157 4.350 -0.000 0.000 0.268 753 T C 1.408 176.048 174.700 -0.099 0.000 1.057 753 T CA 1.627 63.631 62.100 -0.159 0.000 1.136 753 T CB -0.313 68.461 68.868 -0.157 0.000 0.874 753 T HN 0.387 nan 8.240 nan 0.000 0.466 754 H N 1.071 120.052 119.070 -0.148 0.000 2.307 754 H HA 0.218 4.774 4.556 -0.000 0.000 0.303 754 H C 2.168 177.491 175.328 -0.008 0.000 1.073 754 H CA 1.363 57.395 56.048 -0.026 0.000 1.338 754 H CB -0.319 29.428 29.762 -0.026 0.000 1.389 754 H HN 0.193 nan 8.280 nan 0.000 0.503 755 M N -0.663 118.843 119.600 -0.156 0.000 2.202 755 M HA -0.187 4.293 4.480 -0.000 0.000 0.262 755 M C 2.346 178.697 176.300 0.086 0.000 1.063 755 M CA 1.499 56.678 55.300 -0.202 0.000 1.097 755 M CB -0.019 32.189 32.600 -0.654 0.000 1.382 755 M HN 0.195 nan 8.290 nan 0.000 0.413 756 S N -0.885 114.878 115.700 0.106 0.000 2.368 756 S HA -0.149 4.320 4.470 -0.000 0.000 0.224 756 S C 1.509 176.191 174.600 0.137 0.000 1.029 756 S CA 1.128 59.511 58.200 0.305 0.000 0.988 756 S CB -0.431 62.930 63.200 0.268 0.000 0.838 756 S HN 0.561 nan 8.310 nan 0.000 0.462 757 H N -1.003 118.129 119.070 0.103 0.000 2.456 757 H HA -0.022 4.534 4.556 -0.000 0.000 0.296 757 H C 1.795 177.133 175.328 0.016 0.000 1.079 757 H CA 1.469 57.542 56.048 0.042 0.000 1.322 757 H CB -0.074 29.687 29.762 -0.002 0.000 1.388 757 H HN 0.386 nan 8.280 nan 0.000 0.538 758 F N 0.642 120.578 119.950 -0.022 0.000 2.128 758 F HA -0.135 4.392 4.527 -0.000 0.000 0.295 758 F C 1.944 177.683 175.800 -0.102 0.000 1.100 758 F CA 0.820 58.767 58.000 -0.087 0.000 1.260 758 F CB -0.050 38.862 39.000 -0.147 0.000 1.009 758 F HN 0.022 nan 8.300 nan 0.000 0.476 759 I N 0.600 121.157 120.570 -0.021 0.000 2.315 759 I HA -0.249 3.921 4.170 -0.000 0.000 0.248 759 I C 2.202 178.089 176.117 -0.383 0.000 1.117 759 I CA 1.404 62.499 61.300 -0.343 0.000 1.404 759 I CB -1.275 36.603 38.000 -0.203 0.000 1.071 759 I HN 0.201 nan 8.210 nan 0.000 0.419 760 K N 0.352 120.689 120.400 -0.104 0.000 2.057 760 K HA -0.231 4.089 4.320 -0.000 0.000 0.207 760 K C 2.144 178.731 176.600 -0.022 0.000 1.049 760 K CA 1.400 57.684 56.287 -0.006 0.000 0.931 760 K CB -0.123 32.428 32.500 0.085 0.000 0.714 760 K HN 0.297 nan 8.250 nan 0.000 0.440 761 Q N 0.504 120.256 119.800 -0.080 0.000 2.049 761 Q HA -0.193 4.147 4.340 -0.000 0.000 0.198 761 Q C 2.340 178.252 176.000 -0.146 0.000 0.971 761 Q CA 1.829 57.575 55.803 -0.096 0.000 0.833 761 Q CB -0.270 28.401 28.738 -0.111 0.000 0.896 761 Q HN 0.477 nan 8.270 nan 0.000 0.434 762 c N 0.157 118.561 118.600 -0.327 0.000 2.413 762 c HA -0.089 4.481 4.570 -0.000 0.000 0.277 762 c C 1.742 175.855 174.090 0.038 0.000 1.265 762 c CA 0.360 56.517 56.329 -0.287 0.000 1.752 762 c CB -1.251 40.910 42.510 -0.582 0.000 1.998 762 c HN 0.609 nan 8.230 nan 0.000 0.489 763 F N 2.878 122.790 119.950 -0.064 0.000 2.663 763 F HA 0.228 4.755 4.527 -0.000 0.000 0.299 763 F C 1.649 177.439 175.800 -0.018 0.000 1.143 763 F CA 0.089 58.076 58.000 -0.022 0.000 1.387 763 F CB -1.546 37.454 39.000 -0.000 0.000 1.019 763 F HN 0.468 nan 8.300 nan 0.000 0.523 764 S N -0.100 115.682 115.700 0.137 0.000 3.317 764 S HA -0.270 4.199 4.470 -0.000 0.000 0.358 764 S C -0.093 174.559 174.600 0.087 0.000 0.945 764 S CA 0.098 58.345 58.200 0.077 0.000 1.279 764 S CB -2.386 60.844 63.200 0.051 0.000 0.905 764 S HN 0.355 nan 8.310 nan 0.000 0.507 765 L N 1.760 123.045 121.223 0.103 0.000 2.307 765 L HA 0.583 4.923 4.340 -0.000 0.000 0.282 765 L C -1.100 175.816 176.870 0.076 0.000 1.051 765 L CA -2.019 52.880 54.840 0.098 0.000 0.804 765 L CB 0.888 43.022 42.059 0.126 0.000 1.197 765 L HN 0.276 nan 8.230 nan 0.000 0.431 766 P HA 0.000 nan 4.420 nan 0.000 0.216 766 P CA 0.000 63.137 63.100 0.061 0.000 0.800 766 P CB 0.000 31.729 31.700 0.048 0.000 0.726