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 3g0c_1_C 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 0.000 176.667 176.600 0.112 0.000 0.988 41 K CA 0.000 56.348 56.287 0.101 0.000 0.838 41 K CB 0.000 32.564 32.500 0.106 0.000 1.064 42 T N -1.745 112.884 114.554 0.125 0.000 2.949 42 T HA 0.345 4.689 4.350 -0.010 0.000 0.287 42 T C -0.798 174.017 174.700 0.193 0.000 1.034 42 T CA -0.763 61.423 62.100 0.143 0.000 1.018 42 T CB 0.872 69.821 68.868 0.136 0.000 1.135 42 T HN 0.521 nan 8.240 nan 0.000 0.532 43 Y N 2.800 123.149 120.300 0.083 0.000 2.587 43 Y HA 0.353 4.897 4.550 -0.010 0.000 0.344 43 Y C 0.925 176.973 175.900 0.247 0.000 1.061 43 Y CA -0.046 58.133 58.100 0.132 0.000 1.370 43 Y CB -0.184 38.307 38.460 0.051 0.000 1.163 43 Y HN 0.980 nan 8.280 nan 0.000 0.527 44 T N 2.739 117.285 114.554 -0.014 0.000 2.912 44 T HA 0.159 4.503 4.350 -0.010 0.000 0.280 44 T C 0.934 175.560 174.700 -0.123 0.000 0.989 44 T CA -0.865 61.291 62.100 0.094 0.000 0.995 44 T CB 1.358 70.247 68.868 0.034 0.000 1.077 44 T HN 0.653 nan 8.240 nan 0.000 0.531 45 L N 1.276 122.252 121.223 -0.411 0.000 2.012 45 L HA -0.041 4.293 4.340 -0.010 0.000 0.210 45 L C 2.575 179.317 176.870 -0.213 0.000 1.073 45 L CA 2.240 56.738 54.840 -0.569 0.000 0.748 45 L CB -1.594 40.053 42.059 -0.687 0.000 0.891 45 L HN 0.964 nan 8.230 nan 0.000 0.431 46 T N -0.917 113.535 114.554 -0.170 0.000 2.915 46 T HA -0.129 4.215 4.350 -0.010 0.000 0.269 46 T C 1.452 176.071 174.700 -0.135 0.000 1.071 46 T CA 1.206 63.233 62.100 -0.122 0.000 1.132 46 T CB -0.364 68.455 68.868 -0.081 0.000 0.878 46 T HN 0.374 nan 8.240 nan 0.000 0.479 47 D N 0.321 120.604 120.400 -0.194 0.000 2.097 47 D HA -0.065 4.569 4.640 -0.010 0.000 0.197 47 D C 1.727 177.916 176.300 -0.184 0.000 0.984 47 D CA 0.939 54.785 54.000 -0.257 0.000 0.826 47 D CB -0.428 40.081 40.800 -0.486 0.000 0.973 47 D HN 0.403 nan 8.370 nan 0.000 0.460 48 Y N 1.624 121.744 120.300 -0.301 0.000 2.114 48 Y HA -0.137 4.407 4.550 -0.010 0.000 0.284 48 Y C 2.170 178.082 175.900 0.020 0.000 1.143 48 Y CA 1.333 59.449 58.100 0.026 0.000 1.135 48 Y CB -0.643 37.921 38.460 0.174 0.000 0.980 48 Y HN -0.094 nan 8.280 nan 0.000 0.499 49 L N -0.200 120.851 121.223 -0.288 0.000 2.046 49 L HA -0.189 4.145 4.340 -0.010 0.000 0.208 49 L C 2.031 178.783 176.870 -0.197 0.000 1.077 49 L CA 1.676 56.311 54.840 -0.342 0.000 0.747 49 L CB -0.483 41.454 42.059 -0.203 0.000 0.896 49 L HN 0.038 nan 8.230 nan 0.000 0.432 50 K N 0.058 120.377 120.400 -0.135 0.000 2.444 50 K HA 0.028 4.342 4.320 -0.010 0.000 0.193 50 K C 0.309 176.861 176.600 -0.080 0.000 1.024 50 K CA 0.011 56.241 56.287 -0.095 0.000 1.077 50 K CB -0.451 31.997 32.500 -0.086 0.000 0.833 50 K HN 0.185 nan 8.250 nan 0.000 0.517 51 N N 0.740 119.398 118.700 -0.070 0.000 2.705 51 N HA -0.239 4.495 4.740 -0.010 0.000 0.255 51 N C -0.295 175.209 175.510 -0.009 0.000 1.008 51 N CA 0.498 53.549 53.050 0.002 0.000 0.742 51 N CB -0.412 38.071 38.487 -0.007 0.000 0.906 51 N HN 0.189 nan 8.380 nan 0.000 0.541 52 T N -0.185 114.334 114.554 -0.060 0.000 2.708 52 T HA -0.157 4.187 4.350 -0.010 0.000 0.266 52 T C 0.440 174.990 174.700 -0.250 0.000 1.037 52 T CA 1.349 63.314 62.100 -0.225 0.000 1.146 52 T CB -0.156 68.465 68.868 -0.411 0.000 0.865 52 T HN 0.391 nan 8.240 nan 0.000 0.435 53 Y N 2.317 122.689 120.300 0.120 0.000 2.594 53 Y HA 0.424 4.968 4.550 -0.010 0.000 0.342 53 Y C 0.612 176.612 175.900 0.167 0.000 1.010 53 Y CA -0.867 57.332 58.100 0.165 0.000 1.270 53 Y CB 0.099 38.714 38.460 0.259 0.000 1.125 53 Y HN -0.092 nan 8.280 nan 0.000 0.513 54 R N 2.978 123.603 120.500 0.209 0.000 2.410 54 R HA 0.481 4.815 4.340 -0.010 0.000 0.288 54 R C -0.843 175.557 176.300 0.167 0.000 1.051 54 R CA -0.741 55.453 56.100 0.157 0.000 1.021 54 R CB 1.073 31.424 30.300 0.083 0.000 1.032 54 R HN 0.579 nan 8.270 nan 0.000 0.481 55 L N 3.845 125.165 121.223 0.161 0.000 2.265 55 L HA 0.266 4.601 4.340 -0.010 0.000 0.288 55 L C 0.168 177.097 176.870 0.099 0.000 1.058 55 L CA -0.330 54.601 54.840 0.151 0.000 0.809 55 L CB 0.808 42.979 42.059 0.187 0.000 1.179 55 L HN 0.378 nan 8.230 nan 0.000 0.429 56 K N 3.933 124.376 120.400 0.072 0.000 2.276 56 K HA 0.420 4.734 4.320 -0.010 0.000 0.283 56 K C -0.663 175.906 176.600 -0.052 0.000 1.044 56 K CA -0.778 55.521 56.287 0.020 0.000 0.944 56 K CB 1.311 33.822 32.500 0.019 0.000 1.012 56 K HN 0.223 nan 8.250 nan 0.000 0.472 57 L N 1.664 122.821 121.223 -0.110 0.000 2.492 57 L HA 0.385 4.719 4.340 -0.010 0.000 0.263 57 L C -0.518 176.116 176.870 -0.394 0.000 1.062 57 L CA -0.601 54.062 54.840 -0.296 0.000 0.817 57 L CB -0.105 41.916 42.059 -0.063 0.000 1.441 57 L HN 0.542 nan 8.230 nan 0.000 0.493 58 Y N -0.113 119.793 120.300 -0.657 0.000 2.516 58 Y HA 0.270 4.814 4.550 -0.010 0.000 0.329 58 Y C -0.121 175.721 175.900 -0.097 0.000 1.095 58 Y CA -0.395 57.495 58.100 -0.350 0.000 1.213 58 Y CB 1.060 39.153 38.460 -0.613 0.000 1.109 58 Y HN 0.480 nan 8.280 nan 0.000 0.630 59 S N 4.809 120.544 115.700 0.058 0.000 2.405 59 S HA 0.514 4.978 4.470 -0.010 0.000 0.291 59 S C -0.550 174.107 174.600 0.096 0.000 1.137 59 S CA -0.493 57.757 58.200 0.084 0.000 1.061 59 S CB -0.770 62.465 63.200 0.060 0.000 1.001 59 S HN 0.550 nan 8.310 nan 0.000 0.507 60 L N 3.784 125.021 121.223 0.022 0.000 2.322 60 L HA 0.815 5.149 4.340 -0.010 0.000 0.269 60 L C -0.409 176.443 176.870 -0.030 0.000 1.012 60 L CA -0.704 54.113 54.840 -0.038 0.000 0.815 60 L CB 1.312 43.090 42.059 -0.468 0.000 1.295 60 L HN 0.428 nan 8.230 nan 0.000 0.438 61 R N 1.513 122.040 120.500 0.045 0.000 2.473 61 R HA 0.295 4.629 4.340 -0.010 0.000 0.303 61 R C -1.707 174.686 176.300 0.154 0.000 1.002 61 R CA -0.318 55.848 56.100 0.109 0.000 0.884 61 R CB 0.885 31.285 30.300 0.167 0.000 1.173 61 R HN 0.738 nan 8.270 nan 0.000 0.464 62 W N 2.953 124.384 121.300 0.219 0.000 2.223 62 W HA 0.026 4.680 4.660 -0.010 0.000 0.334 62 W C 1.240 177.867 176.519 0.180 0.000 1.334 62 W CA -0.139 57.340 57.345 0.224 0.000 1.246 62 W CB 0.394 29.972 29.460 0.197 0.000 1.184 62 W HN 0.549 nan 8.180 nan 0.000 0.563 63 I N 1.937 122.767 120.570 0.434 0.000 4.323 63 I HA 0.004 4.169 4.170 -0.010 0.000 0.328 63 I C 0.947 177.199 176.117 0.225 0.000 1.310 63 I CA 0.622 62.073 61.300 0.251 0.000 1.186 63 I CB -0.054 38.020 38.000 0.122 0.000 1.130 63 I HN 0.375 nan 8.210 nan 0.000 0.411 64 S N -1.981 113.900 115.700 0.302 0.000 3.359 64 S HA 0.328 4.792 4.470 -0.010 0.000 0.323 64 S C 0.401 175.140 174.600 0.233 0.000 1.143 64 S CA -0.137 58.208 58.200 0.243 0.000 0.989 64 S CB 0.770 64.111 63.200 0.235 0.000 1.375 64 S HN -0.053 nan 8.310 nan 0.000 0.728 65 D N -1.072 119.458 120.400 0.216 0.000 2.367 65 D HA 0.245 4.879 4.640 -0.010 0.000 0.207 65 D C 1.013 177.293 176.300 -0.034 0.000 1.034 65 D CA 0.588 54.596 54.000 0.014 0.000 0.861 65 D CB 0.074 40.860 40.800 -0.022 0.000 0.943 65 D HN 0.600 nan 8.370 nan 0.000 0.515 66 H N -1.046 118.180 119.070 0.260 0.000 3.241 66 H HA 0.359 4.910 4.556 -0.010 0.000 0.260 66 H C -0.145 175.374 175.328 0.319 0.000 1.084 66 H CA 0.088 56.314 56.048 0.297 0.000 1.203 66 H CB 1.393 31.278 29.762 0.205 0.000 1.524 66 H HN 0.088 nan 8.280 nan 0.000 0.521 67 E N 0.731 121.243 120.200 0.521 0.000 2.314 67 E HA 0.315 4.659 4.350 -0.010 0.000 0.272 67 E C -1.465 175.367 176.600 0.388 0.000 0.884 67 E CA -0.832 55.764 56.400 0.326 0.000 0.753 67 E CB 2.791 32.573 29.700 0.136 0.000 1.213 67 E HN 0.155 nan 8.360 nan 0.000 0.432 68 Y N 0.171 120.504 120.300 0.056 0.000 2.634 68 Y HA 0.768 5.312 4.550 -0.010 0.000 0.340 68 Y C -1.523 174.382 175.900 0.010 0.000 1.058 68 Y CA -1.382 56.644 58.100 -0.123 0.000 1.081 68 Y CB 0.906 38.935 38.460 -0.719 0.000 1.295 68 Y HN 0.343 nan 8.280 nan 0.000 0.487 69 L N 2.076 123.461 121.223 0.270 0.000 2.334 69 L HA 0.510 4.844 4.340 -0.010 0.000 0.273 69 L C -1.423 175.714 176.870 0.445 0.000 1.013 69 L CA -1.040 53.961 54.840 0.270 0.000 0.816 69 L CB 1.854 44.049 42.059 0.225 0.000 1.278 69 L HN 0.729 nan 8.230 nan 0.000 0.431 70 Y N 2.233 122.670 120.300 0.229 0.000 2.457 70 Y HA 0.423 4.967 4.550 -0.010 0.000 0.343 70 Y C -0.600 175.349 175.900 0.081 0.000 0.994 70 Y CA -1.169 57.004 58.100 0.121 0.000 1.031 70 Y CB 1.822 40.340 38.460 0.097 0.000 1.246 70 Y HN 0.447 nan 8.280 nan 0.000 0.449 71 K N 3.138 123.229 120.400 -0.516 0.000 2.087 71 K HA 0.537 4.851 4.320 -0.010 0.000 0.255 71 K C -1.053 175.255 176.600 -0.487 0.000 0.988 71 K CA -0.443 55.623 56.287 -0.368 0.000 0.915 71 K CB 1.353 33.741 32.500 -0.188 0.000 1.043 71 K HN 0.821 nan 8.250 nan 0.000 0.457 76 I N 2.249 122.772 120.570 -0.079 0.000 2.307 76 I HA 0.301 4.465 4.170 -0.010 0.000 0.287 76 I C -0.673 175.490 176.117 0.076 0.000 1.054 76 I CA -0.528 60.755 61.300 -0.029 0.000 1.218 76 I CB 0.323 38.257 38.000 -0.110 0.000 1.398 76 I HN 0.316 nan 8.210 nan 0.000 0.475 77 L N 7.074 128.350 121.223 0.088 0.000 2.360 77 L HA 0.495 4.829 4.340 -0.010 0.000 0.271 77 L C -0.104 176.792 176.870 0.044 0.000 1.057 77 L CA -0.519 54.347 54.840 0.043 0.000 0.803 77 L CB 1.525 43.576 42.059 -0.013 0.000 1.207 77 L HN 0.183 nan 8.230 nan 0.000 0.445 78 V N 1.417 121.263 119.914 -0.113 0.000 2.483 78 V HA 0.452 4.566 4.120 -0.010 0.000 0.295 78 V C -0.620 175.260 176.094 -0.357 0.000 1.035 78 V CA -0.567 61.631 62.300 -0.171 0.000 0.896 78 V CB 1.252 32.962 31.823 -0.188 0.000 0.986 78 V HN 0.351 nan 8.190 nan 0.000 0.447 79 F N 2.303 121.965 119.950 -0.480 0.000 2.458 79 F HA 0.397 4.918 4.527 -0.010 0.000 0.336 79 F C 0.625 176.171 175.800 -0.424 0.000 1.114 79 F CA -0.564 57.124 58.000 -0.521 0.000 0.987 79 F CB 1.471 39.956 39.000 -0.858 0.000 1.130 79 F HN 0.497 nan 8.300 nan 0.000 0.458 80 N N 2.521 121.187 118.700 -0.058 0.000 2.439 80 N HA 0.250 4.984 4.740 -0.010 0.000 0.243 80 N C 0.718 176.223 175.510 -0.008 0.000 1.088 80 N CA 0.020 53.073 53.050 0.004 0.000 0.940 80 N CB 1.188 39.715 38.487 0.067 0.000 1.180 80 N HN 0.855 nan 8.380 nan 0.000 0.505 81 A N 4.298 127.082 122.820 -0.059 0.000 1.940 81 A HA -0.168 4.146 4.320 -0.010 0.000 0.219 81 A C 1.889 179.189 177.584 -0.474 0.000 1.176 81 A CA 1.127 53.030 52.037 -0.225 0.000 0.631 81 A CB -0.264 18.564 19.000 -0.286 0.000 0.814 81 A HN 0.805 nan 8.150 nan 0.000 0.446 82 E N -1.251 118.686 120.200 -0.438 0.000 2.068 82 E HA -0.257 4.087 4.350 -0.010 0.000 0.207 82 E C 1.671 177.937 176.600 -0.557 0.000 1.032 82 E CA 2.267 58.405 56.400 -0.436 0.000 0.839 82 E CB -0.310 29.197 29.700 -0.322 0.000 0.758 82 E HN 0.880 nan 8.360 nan 0.000 0.457 83 Y N -2.728 117.574 120.300 0.005 0.000 2.673 83 Y HA 0.293 4.838 4.550 -0.010 0.000 0.278 83 Y C 1.870 177.776 175.900 0.010 0.000 1.127 83 Y CA 0.436 58.545 58.100 0.015 0.000 1.261 83 Y CB 0.844 39.316 38.460 0.020 0.000 1.412 83 Y HN 0.213 nan 8.280 nan 0.000 0.496 84 G N -0.203 108.698 108.800 0.168 0.000 2.813 84 G HA2 -0.214 3.740 3.960 -0.010 0.000 0.194 84 G HA3 -0.214 3.740 3.960 -0.010 0.000 0.194 84 G C -0.472 174.500 174.900 0.121 0.000 1.010 84 G CA -0.358 44.827 45.100 0.141 0.000 0.771 84 G HN 0.297 nan 8.290 nan 0.000 0.485 85 N N 2.083 120.820 118.700 0.062 0.000 2.301 85 N HA 0.235 4.969 4.740 -0.010 0.000 0.267 85 N C 0.113 175.517 175.510 -0.176 0.000 1.304 85 N CA 1.131 54.162 53.050 -0.032 0.000 0.851 85 N CB 0.762 39.231 38.487 -0.031 0.000 1.070 85 N HN 0.739 nan 8.380 nan 0.000 0.483 86 S N 1.115 116.634 115.700 -0.301 0.000 2.457 86 S HA 0.588 5.052 4.470 -0.010 0.000 0.289 86 S C -0.207 174.172 174.600 -0.369 0.000 1.163 86 S CA -0.928 56.888 58.200 -0.639 0.000 1.078 86 S CB 0.845 63.466 63.200 -0.965 0.000 0.987 86 S HN 0.715 nan 8.310 nan 0.000 0.482 87 S N 1.537 117.035 115.700 -0.337 0.000 2.599 87 S HA 0.693 5.157 4.470 -0.010 0.000 0.287 87 S C -0.360 174.161 174.600 -0.132 0.000 1.105 87 S CA -0.979 57.112 58.200 -0.181 0.000 0.899 87 S CB 0.970 64.103 63.200 -0.112 0.000 1.100 87 S HN 0.617 nan 8.310 nan 0.000 0.482 88 V N 1.797 121.672 119.914 -0.065 0.000 2.775 88 V HA 0.340 4.454 4.120 -0.010 0.000 0.299 88 V C 0.147 176.297 176.094 0.093 0.000 1.062 88 V CA -0.044 62.248 62.300 -0.015 0.000 1.063 88 V CB 0.741 32.540 31.823 -0.040 0.000 0.994 88 V HN 1.007 nan 8.190 nan 0.000 0.483 89 F N 2.607 122.508 119.950 -0.080 0.000 2.581 89 F HA 0.453 4.974 4.527 -0.010 0.000 0.278 89 F C 0.116 175.879 175.800 -0.062 0.000 1.000 89 F CA 0.079 58.045 58.000 -0.058 0.000 1.230 89 F CB 0.807 39.786 39.000 -0.036 0.000 1.008 89 F HN 0.235 nan 8.300 nan 0.000 0.695 90 L N 1.800 122.965 121.223 -0.098 0.000 2.410 90 L HA 0.368 4.702 4.340 -0.010 0.000 0.270 90 L C -0.657 176.122 176.870 -0.153 0.000 0.983 90 L CA -0.393 54.322 54.840 -0.208 0.000 0.822 90 L CB 1.624 43.567 42.059 -0.193 0.000 1.285 90 L HN 0.077 nan 8.230 nan 0.000 0.409 91 E N 1.124 121.211 120.200 -0.188 0.000 2.319 91 E HA 0.112 4.456 4.350 -0.010 0.000 0.268 91 E C 0.714 177.225 176.600 -0.149 0.000 1.050 91 E CA -0.442 55.869 56.400 -0.149 0.000 0.878 91 E CB 1.233 30.845 29.700 -0.146 0.000 1.066 91 E HN 0.608 nan 8.360 nan 0.000 0.406 92 N N 0.713 119.348 118.700 -0.109 0.000 2.430 92 N HA -0.191 4.543 4.740 -0.010 0.000 0.186 92 N C 0.943 176.401 175.510 -0.086 0.000 1.032 92 N CA 1.452 54.450 53.050 -0.088 0.000 0.893 92 N CB -0.148 38.297 38.487 -0.070 0.000 0.957 92 N HN 0.243 nan 8.380 nan 0.000 0.442 93 S N -2.954 112.678 115.700 -0.114 0.000 2.554 93 S HA 0.169 4.633 4.470 -0.010 0.000 0.226 93 S C 1.155 175.645 174.600 -0.182 0.000 0.980 93 S CA -0.353 57.780 58.200 -0.111 0.000 0.939 93 S CB -0.320 62.827 63.200 -0.090 0.000 0.832 93 S HN 0.181 nan 8.310 nan 0.000 0.486 94 T N 1.455 115.823 114.554 -0.310 0.000 2.881 94 T HA 0.093 4.437 4.350 -0.010 0.000 0.270 94 T C -0.029 174.188 174.700 -0.806 0.000 1.068 94 T CA 1.017 62.756 62.100 -0.602 0.000 1.131 94 T CB -0.425 67.919 68.868 -0.873 0.000 0.871 94 T HN 0.538 nan 8.240 nan 0.000 0.479 95 F N 0.997 120.843 119.950 -0.173 0.000 2.831 95 F HA 0.391 4.912 4.527 -0.010 0.000 0.355 95 F C 1.099 176.870 175.800 -0.048 0.000 1.341 95 F CA -1.477 56.441 58.000 -0.137 0.000 1.201 95 F CB 0.192 39.020 39.000 -0.286 0.000 1.058 95 F HN -0.010 nan 8.300 nan 0.000 0.514 96 D N 0.680 121.117 120.400 0.062 0.000 2.162 96 D HA -0.062 4.572 4.640 -0.010 0.000 0.205 96 D C 0.699 177.041 176.300 0.069 0.000 0.964 96 D CA 1.077 55.104 54.000 0.045 0.000 0.847 96 D CB 0.401 41.196 40.800 -0.008 0.000 0.988 96 D HN 0.413 nan 8.370 nan 0.000 0.480 97 E N -0.223 120.020 120.200 0.071 0.000 2.336 97 E HA 0.045 4.389 4.350 -0.010 0.000 0.214 97 E C 0.453 177.115 176.600 0.104 0.000 1.144 97 E CA -0.426 56.007 56.400 0.054 0.000 1.294 97 E CB 0.054 29.764 29.700 0.018 0.000 1.263 97 E HN 0.248 nan 8.360 nan 0.000 0.439 98 F N 0.418 120.375 119.950 0.013 0.000 2.270 98 F HA 0.138 4.659 4.527 -0.010 0.000 0.295 98 F C 1.698 177.464 175.800 -0.057 0.000 1.087 98 F CA 1.505 59.515 58.000 0.017 0.000 1.365 98 F CB 0.492 39.512 39.000 0.033 0.000 1.056 98 F HN 0.232 nan 8.300 nan 0.000 0.506 99 G N -0.077 108.689 108.800 -0.057 0.000 2.157 99 G HA2 -0.193 3.761 3.960 -0.010 0.000 0.239 99 G HA3 -0.193 3.761 3.960 -0.010 0.000 0.239 99 G C -0.078 174.478 174.900 -0.574 0.000 0.982 99 G CA 0.160 45.059 45.100 -0.335 0.000 0.650 99 G HN 0.564 nan 8.290 nan 0.000 0.527 100 H N -0.594 118.547 119.070 0.120 0.000 3.008 100 H HA 0.513 5.063 4.556 -0.010 0.000 0.354 100 H C -0.605 174.802 175.328 0.131 0.000 1.252 100 H CA -0.144 55.977 56.048 0.121 0.000 1.117 100 H CB 1.378 31.166 29.762 0.045 0.000 1.857 100 H HN 0.157 nan 8.280 nan 0.000 0.547 101 S N 2.139 117.969 115.700 0.217 0.000 2.499 101 S HA 0.179 4.643 4.470 -0.010 0.000 0.275 101 S C 0.735 175.370 174.600 0.059 0.000 1.257 101 S CA -0.720 57.541 58.200 0.102 0.000 1.050 101 S CB 0.075 63.324 63.200 0.082 0.000 0.937 101 S HN 0.258 nan 8.310 nan 0.000 0.490 102 I N 4.001 124.541 120.570 -0.050 0.000 2.329 102 I HA 0.096 4.260 4.170 -0.010 0.000 0.295 102 I C 1.458 177.547 176.117 -0.046 0.000 1.109 102 I CA -0.126 61.106 61.300 -0.113 0.000 1.297 102 I CB -0.773 37.082 38.000 -0.242 0.000 1.433 102 I HN 0.682 nan 8.210 nan 0.000 0.509 103 N N 5.104 123.788 118.700 -0.026 0.000 2.039 103 N HA -0.157 4.577 4.740 -0.010 0.000 0.193 103 N C 0.299 175.770 175.510 -0.066 0.000 1.044 103 N CA 1.690 54.697 53.050 -0.073 0.000 0.847 103 N CB 0.343 38.769 38.487 -0.101 0.000 1.030 103 N HN 0.686 nan 8.380 nan 0.000 0.422 104 D N -3.049 117.336 120.400 -0.025 0.000 2.596 104 D HA 0.263 4.897 4.640 -0.010 0.000 0.262 104 D C -1.563 174.793 176.300 0.094 0.000 1.210 104 D CA -0.681 53.323 54.000 0.007 0.000 0.873 104 D CB 0.949 41.721 40.800 -0.047 0.000 1.408 104 D HN 0.212 nan 8.370 nan 0.000 0.441 105 Y N -1.047 119.272 120.300 0.031 0.000 2.634 105 Y HA 0.803 5.347 4.550 -0.010 0.000 0.340 105 Y C -1.001 174.990 175.900 0.152 0.000 1.058 105 Y CA -1.154 56.983 58.100 0.062 0.000 1.081 105 Y CB 1.793 40.271 38.460 0.030 0.000 1.295 105 Y HN 0.191 nan 8.280 nan 0.000 0.487 106 S N 2.470 118.369 115.700 0.330 0.000 2.652 106 S HA 0.546 5.010 4.470 -0.010 0.000 0.273 106 S C -1.608 173.332 174.600 0.566 0.000 1.172 106 S CA -0.730 57.680 58.200 0.351 0.000 1.009 106 S CB 0.186 63.566 63.200 0.300 0.000 1.094 106 S HN 0.644 nan 8.310 nan 0.000 0.471 107 I N 4.367 125.198 120.570 0.435 0.000 2.519 107 I HA 0.301 4.465 4.170 -0.010 0.000 0.287 107 I C 1.204 177.243 176.117 -0.130 0.000 1.047 107 I CA -0.289 61.173 61.300 0.269 0.000 1.381 107 I CB 1.131 39.292 38.000 0.269 0.000 1.417 107 I HN 0.812 nan 8.210 nan 0.000 0.540 108 S N 5.559 120.886 115.700 -0.622 0.000 2.580 108 S HA 0.259 4.723 4.470 -0.010 0.000 0.274 108 S C -1.836 172.497 174.600 -0.446 0.000 1.329 108 S CA -0.959 56.475 58.200 -1.277 0.000 1.036 108 S CB 1.035 63.337 63.200 -1.495 0.000 0.919 108 S HN 0.414 nan 8.310 nan 0.000 0.515 109 P HA -0.168 nan 4.420 nan 0.000 0.216 109 P C 0.851 178.112 177.300 -0.065 0.000 1.150 109 P CA 1.588 64.626 63.100 -0.104 0.000 0.843 109 P CB -0.139 31.516 31.700 -0.075 0.000 0.787 110 D N -1.808 118.547 120.400 -0.075 0.000 2.363 110 D HA 0.043 4.677 4.640 -0.010 0.000 0.226 110 D C 1.309 177.606 176.300 -0.005 0.000 1.020 110 D CA 0.746 54.739 54.000 -0.012 0.000 0.892 110 D CB -1.219 39.604 40.800 0.038 0.000 0.900 110 D HN 0.211 nan 8.370 nan 0.000 0.531 111 G N 0.916 109.700 108.800 -0.027 0.000 2.160 111 G HA2 -0.369 3.585 3.960 -0.010 0.000 0.251 111 G HA3 -0.369 3.585 3.960 -0.010 0.000 0.251 111 G C 0.746 175.676 174.900 0.049 0.000 1.008 111 G CA 0.716 45.837 45.100 0.035 0.000 0.724 111 G HN 0.607 nan 8.290 nan 0.000 0.514 112 Q N -1.624 118.133 119.800 -0.071 0.000 2.350 112 Q HA 0.504 4.838 4.340 -0.010 0.000 0.225 112 Q C 0.231 175.896 176.000 -0.558 0.000 0.878 112 Q CA -0.014 55.611 55.803 -0.297 0.000 0.935 112 Q CB 0.610 29.102 28.738 -0.410 0.000 1.099 112 Q HN 0.456 nan 8.270 nan 0.000 0.527 113 F N 1.495 121.400 119.950 -0.076 0.000 2.507 113 F HA 0.511 5.032 4.527 -0.010 0.000 0.325 113 F C -0.557 175.322 175.800 0.131 0.000 1.116 113 F CA -1.332 56.675 58.000 0.012 0.000 0.930 113 F CB 2.132 41.127 39.000 -0.008 0.000 1.146 113 F HN -0.018 nan 8.300 nan 0.000 0.447 114 I N 4.810 125.667 120.570 0.479 0.000 2.377 114 I HA 0.496 4.660 4.170 -0.010 0.000 0.293 114 I C -1.546 174.894 176.117 0.538 0.000 0.987 114 I CA -1.039 60.556 61.300 0.492 0.000 1.185 114 I CB 1.237 39.479 38.000 0.404 0.000 1.341 114 I HN 0.526 nan 8.210 nan 0.000 0.455 115 L N 8.551 130.112 121.223 0.563 0.000 2.275 115 L HA 0.502 4.836 4.340 -0.010 0.000 0.288 115 L C -1.332 175.694 176.870 0.260 0.000 1.046 115 L CA -0.101 54.976 54.840 0.395 0.000 0.805 115 L CB 1.092 43.324 42.059 0.288 0.000 1.193 115 L HN 0.526 nan 8.230 nan 0.000 0.426 116 L N 5.119 126.447 121.223 0.174 0.000 2.287 116 L HA 0.501 4.835 4.340 -0.010 0.000 0.287 116 L C -0.123 176.831 176.870 0.139 0.000 1.022 116 L CA -0.401 54.451 54.840 0.021 0.000 0.814 116 L CB 1.579 43.452 42.059 -0.310 0.000 1.217 116 L HN 0.631 nan 8.230 nan 0.000 0.420 117 E N 4.010 124.249 120.200 0.065 0.000 2.156 117 E HA 0.438 4.782 4.350 -0.010 0.000 0.279 117 E C -1.644 174.940 176.600 -0.027 0.000 0.965 117 E CA -0.526 55.798 56.400 -0.126 0.000 0.789 117 E CB 1.084 30.764 29.700 -0.034 0.000 1.098 117 E HN 0.434 nan 8.360 nan 0.000 0.397 118 Y N 1.591 121.714 120.300 -0.296 0.000 2.655 118 Y HA 0.447 4.991 4.550 -0.010 0.000 0.336 118 Y C -0.412 175.402 175.900 -0.142 0.000 1.154 118 Y CA -1.678 56.333 58.100 -0.149 0.000 1.055 118 Y CB 0.698 39.124 38.460 -0.055 0.000 1.295 118 Y HN 0.510 nan 8.280 nan 0.000 0.465 119 N N 0.122 118.849 118.700 0.045 0.000 2.756 119 N HA -0.286 4.448 4.740 -0.010 0.000 0.248 119 N C -1.175 174.315 175.510 -0.033 0.000 1.062 119 N CA 0.861 53.899 53.050 -0.020 0.000 0.696 119 N CB -1.470 36.929 38.487 -0.146 0.000 0.946 119 N HN 0.883 nan 8.380 nan 0.000 0.548 120 Y N 0.228 120.472 120.300 -0.094 0.000 2.632 120 Y HA 0.261 4.805 4.550 -0.010 0.000 0.329 120 Y C 0.119 175.989 175.900 -0.050 0.000 1.174 120 Y CA 0.121 58.158 58.100 -0.105 0.000 1.469 120 Y CB 0.689 39.049 38.460 -0.166 0.000 1.242 120 Y HN 0.031 nan 8.280 nan 0.000 0.540 121 V N 8.049 127.668 119.914 -0.491 0.000 2.419 121 V HA 0.193 4.307 4.120 -0.010 0.000 0.287 121 V C -0.317 175.454 176.094 -0.539 0.000 1.017 121 V CA -1.382 60.697 62.300 -0.369 0.000 0.844 121 V CB 1.268 32.982 31.823 -0.181 0.000 1.011 121 V HN 0.715 nan 8.190 nan 0.000 0.429 122 K N 3.459 123.559 120.400 -0.500 0.000 2.382 122 K HA 0.227 4.541 4.320 -0.010 0.000 0.275 122 K C 0.515 176.966 176.600 -0.249 0.000 1.009 122 K CA 0.217 56.313 56.287 -0.320 0.000 0.970 122 K CB 1.170 33.676 32.500 0.011 0.000 0.934 122 K HN 0.799 nan 8.250 nan 0.000 0.479 123 Q N 2.941 122.566 119.800 -0.292 0.000 2.429 123 Q HA 0.158 4.492 4.340 -0.010 0.000 0.230 123 Q C 0.034 175.823 176.000 -0.351 0.000 0.970 123 Q CA -0.271 55.182 55.803 -0.583 0.000 0.778 123 Q CB 0.082 28.284 28.738 -0.893 0.000 2.016 123 Q HN 0.725 nan 8.270 nan 0.000 0.543 124 W N 0.079 121.369 121.300 -0.017 0.000 1.756 124 W HA 0.360 5.014 4.660 -0.010 0.000 0.638 124 W C 1.869 178.366 176.519 -0.037 0.000 1.472 124 W CA -0.754 56.601 57.345 0.017 0.000 1.437 124 W CB -0.157 29.274 29.460 -0.048 0.000 3.368 124 W HN 0.233 nan 8.180 nan 0.000 0.771 125 R N -0.631 119.950 120.500 0.134 0.000 2.090 125 R HA -0.113 4.221 4.340 -0.010 0.000 0.228 125 R C 1.697 177.844 176.300 -0.256 0.000 1.110 125 R CA 1.590 57.601 56.100 -0.149 0.000 0.973 125 R CB -0.306 29.752 30.300 -0.404 0.000 0.869 125 R HN 0.500 nan 8.270 nan 0.000 0.440 126 H N -1.201 117.947 119.070 0.130 0.000 2.800 126 H HA 0.137 4.687 4.556 -0.010 0.000 0.257 126 H C 0.596 176.016 175.328 0.154 0.000 0.967 126 H CA 0.493 56.641 56.048 0.167 0.000 1.192 126 H CB 0.090 29.924 29.762 0.120 0.000 1.441 126 H HN 0.122 nan 8.280 nan 0.000 0.461 127 S N 1.633 117.330 115.700 -0.005 0.000 2.562 127 S HA 0.295 4.759 4.470 -0.010 0.000 0.281 127 S C -0.251 174.206 174.600 -0.239 0.000 1.333 127 S CA -0.422 57.458 58.200 -0.534 0.000 1.052 127 S CB 0.202 62.629 63.200 -1.287 0.000 0.884 127 S HN 0.431 nan 8.310 nan 0.000 0.506 128 Y N -1.788 118.362 120.300 -0.250 0.000 2.677 128 Y HA 0.718 5.262 4.550 -0.010 0.000 0.334 128 Y C -0.800 175.041 175.900 -0.099 0.000 1.196 128 Y CA -1.162 56.783 58.100 -0.259 0.000 1.059 128 Y CB 0.800 39.057 38.460 -0.337 0.000 1.315 128 Y HN 0.571 nan 8.280 nan 0.000 0.455 129 T N 1.664 116.233 114.554 0.026 0.000 2.885 129 T HA 0.919 5.263 4.350 -0.010 0.000 0.285 129 T C -0.960 173.786 174.700 0.078 0.000 1.019 129 T CA 0.072 62.200 62.100 0.045 0.000 1.010 129 T CB 1.178 70.023 68.868 -0.038 0.000 1.022 129 T HN 1.164 nan 8.240 nan 0.000 0.466 130 A N 1.805 124.656 122.820 0.053 0.000 2.610 130 A HA 0.761 5.075 4.320 -0.010 0.000 0.291 130 A C -0.790 176.563 177.584 -0.384 0.000 1.086 130 A CA -0.723 51.204 52.037 -0.184 0.000 0.677 130 A CB 1.450 20.312 19.000 -0.230 0.000 1.278 130 A HN 0.648 nan 8.150 nan 0.000 0.414 131 S N -0.337 114.946 115.700 -0.696 0.000 2.565 131 S HA 0.758 5.222 4.470 -0.010 0.000 0.290 131 S C -1.502 172.419 174.600 -1.132 0.000 1.150 131 S CA -0.013 57.680 58.200 -0.844 0.000 1.058 131 S CB 0.520 63.069 63.200 -1.084 0.000 1.032 131 S HN 0.435 nan 8.310 nan 0.000 0.510 132 Y N 0.585 120.627 120.300 -0.431 0.000 2.421 132 Y HA 0.423 4.967 4.550 -0.010 0.000 0.339 132 Y C -0.602 175.320 175.900 0.037 0.000 0.996 132 Y CA -0.990 57.018 58.100 -0.154 0.000 1.046 132 Y CB 1.680 40.018 38.460 -0.204 0.000 1.226 132 Y HN 0.478 nan 8.280 nan 0.000 0.445 133 D N 3.028 123.665 120.400 0.396 0.000 2.481 133 D HA 0.537 5.171 4.640 -0.010 0.000 0.244 133 D C -0.699 175.760 176.300 0.265 0.000 1.057 133 D CA -0.325 53.873 54.000 0.329 0.000 0.848 133 D CB 2.160 43.237 40.800 0.462 0.000 1.388 133 D HN 0.366 nan 8.370 nan 0.000 0.475 134 I N 1.847 122.559 120.570 0.236 0.000 2.392 134 I HA 0.289 4.453 4.170 -0.010 0.000 0.295 134 I C -0.799 175.554 176.117 0.393 0.000 0.985 134 I CA -0.983 60.498 61.300 0.301 0.000 1.221 134 I CB 1.084 39.226 38.000 0.237 0.000 1.366 134 I HN 0.267 nan 8.210 nan 0.000 0.467 135 Y N 5.561 126.045 120.300 0.306 0.000 2.364 135 Y HA 0.290 4.834 4.550 -0.010 0.000 0.340 135 Y C -0.412 175.650 175.900 0.270 0.000 0.975 135 Y CA -0.777 57.495 58.100 0.286 0.000 1.089 135 Y CB 1.329 39.980 38.460 0.318 0.000 1.192 135 Y HN 0.523 nan 8.280 nan 0.000 0.454 136 D N 6.455 126.700 120.400 -0.259 0.000 2.295 136 D HA 0.109 4.743 4.640 -0.010 0.000 0.248 136 D C 0.553 176.496 176.300 -0.596 0.000 1.154 136 D CA 0.072 53.836 54.000 -0.393 0.000 0.857 136 D CB 1.245 41.866 40.800 -0.298 0.000 1.117 136 D HN 0.896 nan 8.370 nan 0.000 0.468 137 L N 3.946 124.935 121.223 -0.389 0.000 2.072 137 L HA -0.159 4.176 4.340 -0.010 0.000 0.205 137 L C 2.027 178.747 176.870 -0.250 0.000 1.079 137 L CA 0.774 55.471 54.840 -0.238 0.000 0.752 137 L CB -0.370 41.606 42.059 -0.138 0.000 0.906 137 L HN 0.390 nan 8.230 nan 0.000 0.436 138 N N 0.297 118.833 118.700 -0.274 0.000 2.104 138 N HA -0.167 4.567 4.740 -0.010 0.000 0.190 138 N C 1.231 176.631 175.510 -0.184 0.000 1.024 138 N CA 1.293 54.223 53.050 -0.201 0.000 0.853 138 N CB -0.014 38.354 38.487 -0.198 0.000 1.008 138 N HN 0.229 nan 8.380 nan 0.000 0.424 139 K N 0.111 120.373 120.400 -0.230 0.000 2.397 139 K HA 0.270 4.584 4.320 -0.010 0.000 0.202 139 K C -0.392 176.078 176.600 -0.217 0.000 1.022 139 K CA -0.135 56.040 56.287 -0.187 0.000 1.141 139 K CB 0.514 32.919 32.500 -0.158 0.000 0.857 139 K HN 0.054 nan 8.250 nan 0.000 0.514 140 R N 1.164 121.490 120.500 -0.290 0.000 3.610 140 R HA -0.258 4.076 4.340 -0.010 0.000 0.274 140 R C -0.455 175.662 176.300 -0.304 0.000 1.123 140 R CA 1.076 57.022 56.100 -0.257 0.000 0.747 140 R CB -2.339 27.918 30.300 -0.072 0.000 1.149 140 R HN 0.495 nan 8.270 nan 0.000 0.471 141 Q N -0.439 119.030 119.800 -0.552 0.000 2.495 141 Q HA 0.647 4.981 4.340 -0.010 0.000 0.287 141 Q C -0.836 175.047 176.000 -0.194 0.000 1.078 141 Q CA -1.287 54.381 55.803 -0.224 0.000 0.793 141 Q CB 1.481 30.177 28.738 -0.069 0.000 1.459 141 Q HN 0.119 nan 8.270 nan 0.000 0.422 142 L N 1.573 122.899 121.223 0.172 0.000 2.349 142 L HA 0.339 4.674 4.340 -0.010 0.000 0.275 142 L C -0.271 176.688 176.870 0.149 0.000 1.115 142 L CA -0.810 54.196 54.840 0.277 0.000 0.820 142 L CB 0.382 42.651 42.059 0.350 0.000 1.135 142 L HN 0.554 nan 8.230 nan 0.000 0.445 143 I N 2.019 122.685 120.570 0.159 0.000 2.529 143 I HA 0.013 4.177 4.170 -0.010 0.000 0.284 143 I C 1.324 177.493 176.117 0.086 0.000 1.082 143 I CA 0.675 62.040 61.300 0.109 0.000 1.406 143 I CB 1.424 39.495 38.000 0.117 0.000 1.405 143 I HN 0.765 nan 8.210 nan 0.000 0.548 144 T N 0.604 115.188 114.554 0.051 0.000 2.959 144 T HA 0.173 4.517 4.350 -0.010 0.000 0.254 144 T C 0.385 175.087 174.700 0.004 0.000 1.003 144 T CA -0.297 61.821 62.100 0.031 0.000 0.950 144 T CB 0.082 68.965 68.868 0.025 0.000 1.090 144 T HN 0.576 nan 8.240 nan 0.000 0.503 145 E N 2.024 122.223 120.200 -0.002 0.000 2.212 145 E HA 0.243 4.587 4.350 -0.010 0.000 0.270 145 E C -0.844 175.733 176.600 -0.038 0.000 0.956 145 E CA -0.390 55.997 56.400 -0.022 0.000 0.825 145 E CB 1.058 30.748 29.700 -0.018 0.000 1.167 145 E HN 0.103 nan 8.360 nan 0.000 0.400 146 E N 0.868 121.031 120.200 -0.062 0.000 2.271 146 E HA -0.214 4.130 4.350 -0.010 0.000 0.223 146 E C -0.516 176.016 176.600 -0.113 0.000 1.223 146 E CA 0.600 56.947 56.400 -0.088 0.000 0.704 146 E CB -1.737 27.920 29.700 -0.071 0.000 1.194 146 E HN 0.572 nan 8.360 nan 0.000 0.375 147 R N -0.163 120.260 120.500 -0.128 0.000 2.707 147 R HA 0.440 4.774 4.340 -0.010 0.000 0.270 147 R C 1.111 177.242 176.300 -0.281 0.000 1.083 147 R CA -0.537 55.473 56.100 -0.150 0.000 1.182 147 R CB 0.547 30.786 30.300 -0.101 0.000 1.084 147 R HN 0.130 nan 8.270 nan 0.000 0.528 148 I N 4.127 124.503 120.570 -0.324 0.000 2.452 148 I HA 0.095 4.259 4.170 -0.010 0.000 0.287 148 I C -1.585 174.246 176.117 -0.477 0.000 1.079 148 I CA -1.809 59.150 61.300 -0.567 0.000 1.387 148 I CB 0.559 38.237 38.000 -0.537 0.000 1.404 148 I HN 0.323 nan 8.210 nan 0.000 0.522 149 P HA -0.011 nan 4.420 nan 0.000 0.269 149 P C -0.650 176.473 177.300 -0.294 0.000 1.217 149 P CA -0.188 62.559 63.100 -0.589 0.000 0.783 149 P CB 0.392 31.346 31.700 -1.243 0.000 0.898 150 N N 1.272 119.881 118.700 -0.152 0.000 2.381 150 N HA -0.041 4.693 4.740 -0.010 0.000 0.241 150 N C 0.346 175.939 175.510 0.138 0.000 1.279 150 N CA 0.315 53.337 53.050 -0.048 0.000 0.896 150 N CB -0.658 37.813 38.487 -0.026 0.000 1.118 150 N HN 0.399 nan 8.380 nan 0.000 0.438 151 N N -1.607 117.138 118.700 0.075 0.000 2.740 151 N HA -0.168 4.566 4.740 -0.010 0.000 0.248 151 N C -1.012 174.648 175.510 0.249 0.000 1.062 151 N CA 0.647 53.771 53.050 0.123 0.000 0.704 151 N CB -1.493 37.055 38.487 0.103 0.000 0.968 151 N HN 0.436 nan 8.380 nan 0.000 0.547 152 T N 0.245 114.952 114.554 0.256 0.000 2.851 152 T HA 0.094 4.438 4.350 -0.010 0.000 0.298 152 T C 1.444 176.301 174.700 0.263 0.000 0.977 152 T CA -0.088 62.198 62.100 0.311 0.000 1.126 152 T CB 1.199 70.178 68.868 0.186 0.000 0.916 152 T HN 0.205 nan 8.240 nan 0.000 0.529 153 Q N 1.845 121.790 119.800 0.242 0.000 2.302 153 Q HA 0.146 4.480 4.340 -0.010 0.000 0.202 153 Q C 0.137 176.304 176.000 0.278 0.000 0.936 153 Q CA 0.482 56.436 55.803 0.252 0.000 0.886 153 Q CB 0.714 29.572 28.738 0.200 0.000 0.986 153 Q HN 0.692 nan 8.270 nan 0.000 0.487 154 W N 0.264 121.536 121.300 -0.046 0.000 3.419 154 W HA 0.435 5.089 4.660 -0.010 0.000 0.298 154 W C -2.060 174.370 176.519 -0.149 0.000 1.260 154 W CA -0.863 56.404 57.345 -0.129 0.000 1.199 154 W CB 1.288 30.615 29.460 -0.222 0.000 1.349 154 W HN -0.263 nan 8.180 nan 0.000 0.557 155 V N 1.304 120.459 119.914 -1.265 0.000 2.925 155 V HA 0.897 5.011 4.120 -0.010 0.000 0.311 155 V C -0.985 174.393 176.094 -1.193 0.000 1.104 155 V CA -0.674 60.998 62.300 -1.046 0.000 0.954 155 V CB 1.302 32.455 31.823 -1.117 0.000 1.022 155 V HN 0.582 nan 8.190 nan 0.000 0.427 156 T N 2.975 117.217 114.554 -0.520 0.000 3.105 156 T HA 0.505 4.850 4.350 -0.010 0.000 0.321 156 T C -1.244 173.487 174.700 0.051 0.000 1.135 156 T CA -0.284 61.744 62.100 -0.121 0.000 1.053 156 T CB 0.858 69.952 68.868 0.378 0.000 1.133 156 T HN 0.768 nan 8.240 nan 0.000 0.463 157 W N 3.450 124.787 121.300 0.062 0.000 2.112 157 W HA 0.419 5.073 4.660 -0.010 0.000 0.349 157 W C 1.343 177.663 176.519 -0.331 0.000 1.289 157 W CA -0.609 56.700 57.345 -0.060 0.000 1.256 157 W CB 0.603 30.038 29.460 -0.041 0.000 1.148 157 W HN 0.808 nan 8.180 nan 0.000 0.590 158 S N 1.478 116.858 115.700 -0.534 0.000 2.589 158 S HA 0.111 4.575 4.470 -0.010 0.000 0.265 158 S C -1.818 172.502 174.600 -0.466 0.000 1.342 158 S CA -0.943 56.467 58.200 -1.318 0.000 1.005 158 S CB 0.735 63.179 63.200 -1.260 0.000 0.909 158 S HN 0.298 nan 8.310 nan 0.000 0.555 159 P HA 0.100 nan 4.420 nan 0.000 0.229 159 P C 0.118 177.371 177.300 -0.078 0.000 1.160 159 P CA 0.437 63.489 63.100 -0.080 0.000 0.777 159 P CB -0.209 31.492 31.700 0.001 0.000 0.814 160 V N -6.076 113.749 119.914 -0.148 0.000 2.962 160 V HA 0.900 5.014 4.120 -0.010 0.000 0.313 160 V C 0.488 176.476 176.094 -0.176 0.000 1.099 160 V CA -0.342 61.886 62.300 -0.119 0.000 0.971 160 V CB 1.007 32.779 31.823 -0.085 0.000 1.028 160 V HN 0.386 nan 8.190 nan 0.000 0.430 161 G N 2.268 110.982 108.800 -0.144 0.000 2.512 161 G HA2 -0.187 3.767 3.960 -0.010 0.000 0.254 161 G HA3 -0.187 3.767 3.960 -0.010 0.000 0.254 161 G C 0.259 175.063 174.900 -0.160 0.000 1.199 161 G CA 0.807 45.788 45.100 -0.199 0.000 0.941 161 G HN 2.480 nan 8.290 nan 0.000 0.569 162 H N -0.587 118.455 119.070 -0.047 0.000 2.985 162 H HA 0.384 4.934 4.556 -0.010 0.000 0.246 162 H C 0.417 175.854 175.328 0.180 0.000 1.181 162 H CA -0.072 55.978 56.048 0.003 0.000 0.972 162 H CB -0.052 29.703 29.762 -0.011 0.000 2.016 162 H HN 0.486 nan 8.280 nan 0.000 0.672 163 K N 1.646 122.030 120.400 -0.026 0.000 2.436 163 K HA 0.207 4.522 4.320 -0.010 0.000 0.275 163 K C -0.769 175.898 176.600 0.111 0.000 0.999 163 K CA -0.202 56.081 56.287 -0.006 0.000 0.980 163 K CB 1.069 33.430 32.500 -0.232 0.000 0.919 163 K HN 0.076 nan 8.250 nan 0.000 0.484 164 L N 1.909 123.253 121.223 0.202 0.000 2.401 164 L HA 0.605 4.939 4.340 -0.010 0.000 0.266 164 L C -1.527 175.527 176.870 0.308 0.000 0.991 164 L CA -0.304 54.631 54.840 0.158 0.000 0.818 164 L CB 1.913 43.913 42.059 -0.098 0.000 1.321 164 L HN 0.712 nan 8.230 nan 0.000 0.413 165 A N 3.931 126.945 122.820 0.324 0.000 2.393 165 A HA 0.822 5.136 4.320 -0.010 0.000 0.306 165 A C -1.882 175.729 177.584 0.044 0.000 1.050 165 A CA -0.379 51.740 52.037 0.135 0.000 0.724 165 A CB 1.185 20.191 19.000 0.009 0.000 1.248 165 A HN 0.883 nan 8.150 nan 0.000 0.424 166 Y N -0.564 119.693 120.300 -0.073 0.000 2.571 166 Y HA 0.730 5.274 4.550 -0.010 0.000 0.341 166 Y C -1.302 174.608 175.900 0.016 0.000 1.076 166 Y CA -1.538 56.498 58.100 -0.106 0.000 1.029 166 Y CB 0.999 39.332 38.460 -0.212 0.000 1.308 166 Y HN 0.414 nan 8.280 nan 0.000 0.461 167 V N 2.682 122.730 119.914 0.224 0.000 2.435 167 V HA 0.381 4.495 4.120 -0.010 0.000 0.290 167 V C -1.311 175.013 176.094 0.382 0.000 1.030 167 V CA -0.546 61.868 62.300 0.190 0.000 0.881 167 V CB 1.220 33.065 31.823 0.036 0.000 0.983 167 V HN 0.882 nan 8.190 nan 0.000 0.445 168 W N 5.349 126.759 121.300 0.183 0.000 3.211 168 W HA 0.511 5.165 4.660 -0.010 0.000 0.335 168 W C 0.125 176.712 176.519 0.112 0.000 1.113 168 W CA -0.601 56.822 57.345 0.130 0.000 1.235 168 W CB 1.324 30.828 29.460 0.074 0.000 1.365 168 W HN 0.635 nan 8.180 nan 0.000 0.476 169 N N 5.121 123.443 118.700 -0.630 0.000 2.721 169 N HA -0.319 4.415 4.740 -0.010 0.000 0.249 169 N C 0.128 175.484 175.510 -0.257 0.000 1.072 169 N CA 1.840 54.532 53.050 -0.596 0.000 0.710 169 N CB -1.522 36.388 38.487 -0.962 0.000 0.993 169 N HN 0.829 nan 8.380 nan 0.000 0.547 170 N N -2.414 116.200 118.700 -0.142 0.000 2.828 170 N HA -0.192 4.542 4.740 -0.010 0.000 0.248 170 N C -1.244 174.203 175.510 -0.105 0.000 1.044 170 N CA 1.145 54.133 53.050 -0.103 0.000 0.851 170 N CB -0.398 37.986 38.487 -0.171 0.000 1.136 170 N HN 0.436 nan 8.380 nan 0.000 0.572 171 D N 0.555 120.910 120.400 -0.075 0.000 2.457 171 D HA 0.488 5.122 4.640 -0.010 0.000 0.240 171 D C 0.211 176.372 176.300 -0.232 0.000 1.041 171 D CA -0.370 53.510 54.000 -0.200 0.000 0.861 171 D CB 1.703 42.340 40.800 -0.272 0.000 1.394 171 D HN 0.034 nan 8.370 nan 0.000 0.473 172 I N 1.682 121.945 120.570 -0.513 0.000 2.396 172 I HA 0.256 4.420 4.170 -0.010 0.000 0.292 172 I C -0.650 175.023 176.117 -0.741 0.000 0.999 172 I CA -0.487 60.493 61.300 -0.532 0.000 1.310 172 I CB 0.551 38.149 38.000 -0.670 0.000 1.404 172 I HN 0.156 nan 8.210 nan 0.000 0.496 173 Y N 4.231 124.137 120.300 -0.656 0.000 2.477 173 Y HA 0.599 5.143 4.550 -0.010 0.000 0.347 173 Y C -0.357 175.172 175.900 -0.618 0.000 0.981 173 Y CA -1.023 56.642 58.100 -0.726 0.000 1.033 173 Y CB 2.195 39.978 38.460 -1.129 0.000 1.245 173 Y HN 0.144 nan 8.280 nan 0.000 0.455 174 V N 3.613 123.444 119.914 -0.138 0.000 2.540 174 V HA 0.406 4.520 4.120 -0.010 0.000 0.302 174 V C -0.703 175.504 176.094 0.188 0.000 1.035 174 V CA -1.255 61.066 62.300 0.034 0.000 0.873 174 V CB 1.867 33.732 31.823 0.070 0.000 0.992 174 V HN 0.646 nan 8.190 nan 0.000 0.428 175 K N 4.516 125.037 120.400 0.201 0.000 2.235 175 K HA 0.493 4.807 4.320 -0.010 0.000 0.266 175 K C 0.308 177.039 176.600 0.219 0.000 0.980 175 K CA -0.761 55.649 56.287 0.205 0.000 0.849 175 K CB 1.853 34.438 32.500 0.141 0.000 1.098 175 K HN 0.431 nan 8.250 nan 0.000 0.445 176 I N 1.146 121.864 120.570 0.247 0.000 2.500 176 I HA -0.025 4.139 4.170 -0.010 0.000 0.252 176 I C 0.387 176.619 176.117 0.192 0.000 1.142 176 I CA 1.343 62.760 61.300 0.195 0.000 1.451 176 I CB -0.332 37.794 38.000 0.209 0.000 1.093 176 I HN 0.558 nan 8.210 nan 0.000 0.430 177 E N -0.094 120.207 120.200 0.170 0.000 2.331 177 E HA 0.269 4.613 4.350 -0.010 0.000 0.275 177 E C -1.996 174.603 176.600 -0.002 0.000 0.895 177 E CA -1.703 54.773 56.400 0.126 0.000 0.753 177 E CB 2.328 32.096 29.700 0.114 0.000 1.216 177 E HN -0.190 nan 8.360 nan 0.000 0.434 178 P HA -0.163 nan 4.420 nan 0.000 0.218 178 P C 0.824 178.075 177.300 -0.083 0.000 1.146 178 P CA 1.284 64.276 63.100 -0.179 0.000 0.813 178 P CB 0.252 31.698 31.700 -0.423 0.000 0.778 179 N N -1.383 117.286 118.700 -0.052 0.000 2.280 179 N HA 0.013 4.747 4.740 -0.010 0.000 0.192 179 N C 0.275 175.776 175.510 -0.015 0.000 1.109 179 N CA 0.121 53.161 53.050 -0.016 0.000 0.855 179 N CB -0.045 38.449 38.487 0.012 0.000 0.974 179 N HN 0.189 nan 8.380 nan 0.000 0.482 180 L N 1.309 122.527 121.223 -0.009 0.000 2.379 180 L HA 0.434 4.768 4.340 -0.010 0.000 0.269 180 L C -2.209 174.625 176.870 -0.060 0.000 1.084 180 L CA -2.029 52.800 54.840 -0.018 0.000 0.802 180 L CB 1.113 43.185 42.059 0.022 0.000 1.175 180 L HN -0.170 nan 8.230 nan 0.000 0.448 181 P HA 0.054 nan 4.420 nan 0.000 0.269 181 P C -0.912 176.255 177.300 -0.221 0.000 1.209 181 P CA -0.196 62.812 63.100 -0.153 0.000 0.776 181 P CB 0.571 32.167 31.700 -0.174 0.000 0.876 182 S N 1.518 117.146 115.700 -0.120 0.000 2.564 182 S HA 0.184 4.648 4.470 -0.010 0.000 0.278 182 S C -0.361 174.154 174.600 -0.141 0.000 1.333 182 S CA -0.021 58.156 58.200 -0.039 0.000 1.048 182 S CB -0.252 63.013 63.200 0.108 0.000 0.900 182 S HN 0.251 nan 8.310 nan 0.000 0.505 183 Y N 1.322 121.639 120.300 0.029 0.000 2.350 183 Y HA 0.341 4.885 4.550 -0.010 0.000 0.340 183 Y C 0.798 176.618 175.900 -0.132 0.000 1.006 183 Y CA -0.577 57.515 58.100 -0.012 0.000 1.166 183 Y CB 0.634 39.088 38.460 -0.010 0.000 1.168 183 Y HN 0.528 nan 8.280 nan 0.000 0.502 184 R N 4.179 124.619 120.500 -0.101 0.000 2.210 184 R HA 0.296 4.630 4.340 -0.010 0.000 0.338 184 R C 0.124 176.121 176.300 -0.506 0.000 1.062 184 R CA 0.136 55.860 56.100 -0.627 0.000 0.902 184 R CB 0.007 29.726 30.300 -0.969 0.000 1.050 184 R HN 0.909 nan 8.270 nan 0.000 0.461 185 I N 2.217 122.447 120.570 -0.566 0.000 2.406 185 I HA -0.068 4.096 4.170 -0.010 0.000 0.249 185 I C 0.680 176.558 176.117 -0.400 0.000 1.122 185 I CA 0.740 61.812 61.300 -0.381 0.000 1.431 185 I CB 0.008 37.755 38.000 -0.422 0.000 1.087 185 I HN 0.622 nan 8.210 nan 0.000 0.424 186 T N -3.721 110.448 114.554 -0.642 0.000 2.893 186 T HA 0.359 4.703 4.350 -0.010 0.000 0.291 186 T C -0.928 173.432 174.700 -0.566 0.000 1.028 186 T CA -0.618 61.206 62.100 -0.460 0.000 0.995 186 T CB 1.511 70.117 68.868 -0.436 0.000 1.051 186 T HN 0.187 nan 8.240 nan 0.000 0.470 187 W N 0.792 121.976 121.300 -0.193 0.000 2.407 187 W HA 0.285 4.939 4.660 -0.010 0.000 0.370 187 W C 1.564 178.026 176.519 -0.095 0.000 0.928 187 W CA -0.344 56.925 57.345 -0.126 0.000 2.005 187 W CB 0.371 29.777 29.460 -0.089 0.000 1.171 187 W HN 0.954 nan 8.180 nan 0.000 0.572 188 T N -3.527 111.054 114.554 0.045 0.000 3.010 188 T HA 0.285 4.629 4.350 -0.010 0.000 0.257 188 T C 1.174 175.861 174.700 -0.022 0.000 1.020 188 T CA 0.136 62.250 62.100 0.022 0.000 0.938 188 T CB 0.009 68.883 68.868 0.010 0.000 1.049 188 T HN -0.002 nan 8.240 nan 0.000 0.522 189 G N 1.465 110.226 108.800 -0.065 0.000 2.272 189 G HA2 0.356 4.310 3.960 -0.010 0.000 0.247 189 G HA3 0.356 4.310 3.960 -0.010 0.000 0.247 189 G C -0.643 174.192 174.900 -0.108 0.000 1.272 189 G CA -0.285 44.754 45.100 -0.102 0.000 0.921 189 G HN 0.521 nan 8.290 nan 0.000 0.495 190 K N 2.177 122.490 120.400 -0.145 0.000 2.578 190 K HA 0.163 4.477 4.320 -0.010 0.000 0.250 190 K C -0.003 176.472 176.600 -0.207 0.000 0.955 190 K CA -0.635 55.571 56.287 -0.136 0.000 0.825 190 K CB 1.487 33.937 32.500 -0.083 0.000 1.151 190 K HN 0.630 nan 8.250 nan 0.000 0.432 191 E N 2.897 122.989 120.200 -0.180 0.000 2.652 191 E HA -0.168 4.176 4.350 -0.010 0.000 0.255 191 E C -0.597 175.913 176.600 -0.149 0.000 0.952 191 E CA 1.027 57.322 56.400 -0.175 0.000 0.947 191 E CB 0.246 29.876 29.700 -0.115 0.000 0.912 191 E HN 0.632 nan 8.360 nan 0.000 0.489 192 D N 2.367 122.664 120.400 -0.172 0.000 3.046 192 D HA -0.241 4.393 4.640 -0.010 0.000 0.210 192 D C 0.419 176.727 176.300 0.013 0.000 1.124 192 D CA 1.540 55.545 54.000 0.008 0.000 0.986 192 D CB -0.940 39.909 40.800 0.082 0.000 1.118 192 D HN 0.526 nan 8.370 nan 0.000 0.416 193 I N -1.360 119.110 120.570 -0.167 0.000 3.990 193 I HA 0.072 4.236 4.170 -0.010 0.000 0.275 193 I C 0.178 176.295 176.117 0.000 0.000 1.157 193 I CA -0.035 61.261 61.300 -0.006 0.000 1.338 193 I CB 0.825 38.828 38.000 0.005 0.000 1.588 193 I HN -0.173 nan 8.210 nan 0.000 0.441 194 I N 1.573 122.046 120.570 -0.163 0.000 2.389 194 I HA 0.292 4.456 4.170 -0.010 0.000 0.288 194 I C -1.439 174.577 176.117 -0.167 0.000 0.999 194 I CA -0.473 60.804 61.300 -0.038 0.000 1.129 194 I CB 0.810 38.808 38.000 -0.004 0.000 1.288 194 I HN 0.031 nan 8.210 nan 0.000 0.444 195 Y N 4.700 125.091 120.300 0.151 0.000 2.328 195 Y HA 0.405 4.949 4.550 -0.010 0.000 0.333 195 Y C 0.344 176.314 175.900 0.116 0.000 0.958 195 Y CA -0.727 57.468 58.100 0.158 0.000 1.167 195 Y CB 1.183 39.821 38.460 0.296 0.000 1.151 195 Y HN 0.414 nan 8.280 nan 0.000 0.470 196 N N 2.184 120.953 118.700 0.115 0.000 2.424 196 N HA 0.332 5.066 4.740 -0.010 0.000 0.271 196 N C 0.825 176.286 175.510 -0.083 0.000 0.985 196 N CA 0.366 53.413 53.050 -0.006 0.000 0.921 196 N CB 1.865 40.243 38.487 -0.181 0.000 1.149 196 N HN 0.973 nan 8.380 nan 0.000 0.492 197 G N 1.561 110.329 108.800 -0.053 0.000 2.168 197 G HA2 -0.263 3.691 3.960 -0.010 0.000 0.263 197 G HA3 -0.263 3.691 3.960 -0.010 0.000 0.263 197 G C 0.052 174.794 174.900 -0.264 0.000 0.977 197 G CA 0.901 45.890 45.100 -0.186 0.000 0.659 197 G HN 0.686 nan 8.290 nan 0.000 0.533 198 I N -2.437 118.048 120.570 -0.141 0.000 2.802 198 I HA 0.772 4.936 4.170 -0.010 0.000 0.298 198 I C 0.270 176.363 176.117 -0.040 0.000 1.176 198 I CA -0.708 60.384 61.300 -0.347 0.000 1.025 198 I CB 1.909 39.499 38.000 -0.684 0.000 1.243 198 I HN 0.168 nan 8.210 nan 0.000 0.424 199 T N -0.134 114.319 114.554 -0.169 0.000 2.882 199 T HA 0.382 4.726 4.350 -0.010 0.000 0.287 199 T C -0.126 174.325 174.700 -0.414 0.000 1.014 199 T CA -0.579 61.280 62.100 -0.402 0.000 1.049 199 T CB 1.066 69.828 68.868 -0.177 0.000 1.001 199 T HN 0.788 nan 8.240 nan 0.000 0.525 200 D N 0.081 119.999 120.400 -0.803 0.000 2.478 200 D HA 0.034 4.668 4.640 -0.010 0.000 0.269 200 D C 1.014 177.255 176.300 -0.099 0.000 1.232 200 D CA -1.097 52.500 54.000 -0.672 0.000 1.059 200 D CB 0.078 40.403 40.800 -0.791 0.000 1.104 200 D HN 0.705 nan 8.370 nan 0.000 0.566 201 W N 0.142 121.411 121.300 -0.051 0.000 2.317 201 W HA -0.241 4.413 4.660 -0.010 0.000 0.318 201 W C 2.119 178.563 176.519 -0.124 0.000 1.227 201 W CA 2.524 59.843 57.345 -0.043 0.000 1.269 201 W CB -0.457 28.922 29.460 -0.135 0.000 1.155 201 W HN 0.186 nan 8.180 nan 0.000 0.484 202 V N -0.415 119.591 119.914 0.153 0.000 2.591 202 V HA -0.236 3.878 4.120 -0.010 0.000 0.249 202 V C 1.785 177.732 176.094 -0.244 0.000 1.053 202 V CA 1.761 64.044 62.300 -0.029 0.000 1.068 202 V CB -0.683 31.140 31.823 0.001 0.000 0.689 202 V HN 0.288 nan 8.190 nan 0.000 0.462 203 Y N 0.735 120.883 120.300 -0.253 0.000 2.263 203 Y HA -0.161 4.383 4.550 -0.010 0.000 0.292 203 Y C 2.550 178.361 175.900 -0.147 0.000 1.130 203 Y CA 2.101 60.056 58.100 -0.241 0.000 1.179 203 Y CB -0.006 38.204 38.460 -0.418 0.000 0.998 203 Y HN 0.390 nan 8.280 nan 0.000 0.532 204 E N 0.367 120.544 120.200 -0.038 0.000 2.031 204 E HA -0.295 4.049 4.350 -0.010 0.000 0.193 204 E C 2.007 178.563 176.600 -0.074 0.000 0.994 204 E CA 1.628 58.027 56.400 -0.002 0.000 0.800 204 E CB -0.033 29.660 29.700 -0.012 0.000 0.752 204 E HN 0.379 nan 8.360 nan 0.000 0.447 205 E N -0.096 119.865 120.200 -0.398 0.000 2.112 205 E HA -0.133 4.211 4.350 -0.010 0.000 0.190 205 E C 1.558 178.012 176.600 -0.243 0.000 0.979 205 E CA 1.314 57.449 56.400 -0.441 0.000 0.814 205 E CB 0.255 29.319 29.700 -1.061 0.000 0.762 205 E HN 0.231 nan 8.360 nan 0.000 0.460 206 E N -1.034 119.010 120.200 -0.259 0.000 2.399 206 E HA 0.113 4.457 4.350 -0.010 0.000 0.205 206 E C 1.765 178.226 176.600 -0.231 0.000 0.906 206 E CA 0.488 56.777 56.400 -0.186 0.000 0.998 206 E CB 0.866 30.453 29.700 -0.187 0.000 1.002 206 E HN 0.179 nan 8.360 nan 0.000 0.501 207 V N -0.210 119.508 119.914 -0.328 0.000 2.602 207 V HA 0.051 4.165 4.120 -0.010 0.000 0.235 207 V C 1.528 177.386 176.094 -0.394 0.000 1.087 207 V CA 0.884 62.900 62.300 -0.472 0.000 1.117 207 V CB -0.315 31.037 31.823 -0.784 0.000 0.820 207 V HN 0.018 nan 8.190 nan 0.000 0.490 208 F N 0.648 120.618 119.950 0.034 0.000 2.749 208 F HA 0.280 4.801 4.527 -0.010 0.000 0.300 208 F C 1.576 177.356 175.800 -0.032 0.000 1.103 208 F CA 0.190 58.227 58.000 0.061 0.000 1.342 208 F CB -0.350 38.735 39.000 0.142 0.000 1.098 208 F HN 0.084 nan 8.300 nan 0.000 0.586 209 S N 0.317 116.058 115.700 0.067 0.000 3.521 209 S HA -0.026 4.438 4.470 -0.010 0.000 0.362 209 S C 0.160 174.404 174.600 -0.593 0.000 1.044 209 S CA 0.456 58.601 58.200 -0.092 0.000 1.091 209 S CB -1.840 61.338 63.200 -0.037 0.000 0.908 209 S HN 0.675 nan 8.310 nan 0.000 0.473 210 A N -0.856 121.802 122.820 -0.271 0.000 2.566 210 A HA 0.710 5.024 4.320 -0.010 0.000 0.290 210 A C -0.393 177.176 177.584 -0.025 0.000 1.071 210 A CA -0.357 51.511 52.037 -0.281 0.000 0.658 210 A CB 0.247 19.097 19.000 -0.251 0.000 1.285 210 A HN 0.327 nan 8.150 nan 0.000 0.427 211 Y N 1.033 121.177 120.300 -0.259 0.000 2.436 211 Y HA 0.118 4.662 4.550 -0.010 0.000 0.288 211 Y C 1.470 177.103 175.900 -0.444 0.000 1.112 211 Y CA 0.866 58.820 58.100 -0.243 0.000 1.220 211 Y CB 0.280 38.643 38.460 -0.162 0.000 1.073 211 Y HN 0.769 nan 8.280 nan 0.000 0.552 212 S N 0.865 116.045 115.700 -0.867 0.000 2.576 212 S HA 0.445 4.909 4.470 -0.010 0.000 0.276 212 S C 0.067 174.134 174.600 -0.889 0.000 1.339 212 S CA -0.204 57.292 58.200 -1.173 0.000 1.039 212 S CB 1.602 63.636 63.200 -1.944 0.000 0.902 212 S HN 0.370 nan 8.310 nan 0.000 0.516 213 A N 2.903 125.209 122.820 -0.857 0.000 3.129 213 A HA 0.584 4.898 4.320 -0.010 0.000 0.282 213 A C -0.482 176.341 177.584 -1.268 0.000 0.948 213 A CA -0.607 50.815 52.037 -1.026 0.000 1.027 213 A CB -0.201 18.668 19.000 -0.219 0.000 1.123 213 A HN 0.779 nan 8.150 nan 0.000 0.485 214 L N 0.856 121.178 121.223 -1.501 0.000 2.406 214 L HA 0.528 4.862 4.340 -0.010 0.000 0.272 214 L C -1.261 175.075 176.870 -0.890 0.000 0.980 214 L CA -0.421 53.879 54.840 -0.899 0.000 0.831 214 L CB 1.722 43.479 42.059 -0.502 0.000 1.253 214 L HN 0.501 nan 8.230 nan 0.000 0.406 215 W N 2.802 124.101 121.300 -0.002 0.000 2.463 215 W HA 0.263 4.917 4.660 -0.010 0.000 0.316 215 W C -0.934 175.757 176.519 0.288 0.000 1.004 215 W CA -1.092 56.376 57.345 0.205 0.000 1.309 215 W CB 1.323 30.970 29.460 0.311 0.000 1.288 215 W HN 0.474 nan 8.180 nan 0.000 0.423 216 W N 2.269 123.750 121.300 0.302 0.000 2.170 216 W HA 0.197 4.851 4.660 -0.010 0.000 0.336 216 W C 1.339 177.629 176.519 -0.383 0.000 1.283 216 W CA 0.282 57.662 57.345 0.059 0.000 1.224 216 W CB 0.641 30.117 29.460 0.026 0.000 1.132 216 W HN 0.209 nan 8.180 nan 0.000 0.571 217 S N 2.445 117.766 115.700 -0.631 0.000 2.584 217 S HA 0.123 4.587 4.470 -0.010 0.000 0.270 217 S C -1.695 172.630 174.600 -0.460 0.000 1.346 217 S CA -0.949 56.371 58.200 -1.467 0.000 1.018 217 S CB 0.992 63.410 63.200 -1.302 0.000 0.899 217 S HN 0.284 nan 8.310 nan 0.000 0.542 218 P HA -0.171 nan 4.420 nan 0.000 0.216 218 P C 0.914 178.183 177.300 -0.052 0.000 1.157 218 P CA 1.702 64.766 63.100 -0.059 0.000 0.880 218 P CB -0.248 31.462 31.700 0.018 0.000 0.791 219 N N -1.429 117.230 118.700 -0.068 0.000 2.314 219 N HA 0.105 4.839 4.740 -0.010 0.000 0.200 219 N C 0.942 176.391 175.510 -0.102 0.000 1.135 219 N CA 0.450 53.461 53.050 -0.065 0.000 0.835 219 N CB -1.114 37.351 38.487 -0.038 0.000 0.989 219 N HN 0.149 nan 8.380 nan 0.000 0.478 220 G N -0.852 107.889 108.800 -0.098 0.000 2.198 220 G HA2 -0.323 3.631 3.960 -0.010 0.000 0.260 220 G HA3 -0.323 3.631 3.960 -0.010 0.000 0.260 220 G C 0.722 175.629 174.900 0.012 0.000 1.025 220 G CA 0.916 45.968 45.100 -0.080 0.000 0.769 220 G HN 0.410 nan 8.290 nan 0.000 0.507 221 T N -0.552 113.974 114.554 -0.047 0.000 2.814 221 T HA 0.300 4.644 4.350 -0.010 0.000 0.254 221 T C 0.858 175.425 174.700 -0.222 0.000 1.037 221 T CA 0.934 62.916 62.100 -0.198 0.000 1.143 221 T CB -0.007 68.639 68.868 -0.370 0.000 0.866 221 T HN 0.268 nan 8.240 nan 0.000 0.431 222 F N 0.894 120.856 119.950 0.021 0.000 2.397 222 F HA 0.600 5.121 4.527 -0.010 0.000 0.331 222 F C -0.209 175.662 175.800 0.119 0.000 1.090 222 F CA -1.366 56.698 58.000 0.106 0.000 1.065 222 F CB 0.929 40.077 39.000 0.247 0.000 1.184 222 F HN -0.052 nan 8.300 nan 0.000 0.499 223 L N 3.030 124.412 121.223 0.265 0.000 2.319 223 L HA 0.777 5.111 4.340 -0.010 0.000 0.281 223 L C -0.565 176.406 176.870 0.168 0.000 1.005 223 L CA -0.557 54.276 54.840 -0.011 0.000 0.828 223 L CB 0.785 42.572 42.059 -0.453 0.000 1.227 223 L HN 0.665 nan 8.230 nan 0.000 0.415 224 A N 4.972 127.962 122.820 0.284 0.000 2.306 224 A HA 0.712 5.026 4.320 -0.010 0.000 0.314 224 A C -1.369 176.287 177.584 0.120 0.000 1.164 224 A CA -0.262 51.856 52.037 0.134 0.000 0.822 224 A CB 0.402 19.580 19.000 0.297 0.000 1.130 224 A HN 0.862 nan 8.150 nan 0.000 0.496 225 Y N -0.920 119.182 120.300 -0.330 0.000 2.571 225 Y HA 0.759 5.303 4.550 -0.010 0.000 0.341 225 Y C -0.274 175.439 175.900 -0.311 0.000 1.076 225 Y CA -0.973 56.995 58.100 -0.220 0.000 1.029 225 Y CB 0.990 39.305 38.460 -0.241 0.000 1.308 225 Y HN 0.863 nan 8.280 nan 0.000 0.461 226 A N 2.915 125.776 122.820 0.069 0.000 2.306 226 A HA 0.644 4.958 4.320 -0.010 0.000 0.330 226 A C -1.003 176.476 177.584 -0.175 0.000 1.146 226 A CA -0.810 51.162 52.037 -0.109 0.000 0.827 226 A CB 1.499 20.430 19.000 -0.115 0.000 1.178 226 A HN 0.854 nan 8.150 nan 0.000 0.490 227 Q N 1.178 120.821 119.800 -0.262 0.000 2.330 227 Q HA 0.623 4.957 4.340 -0.010 0.000 0.269 227 Q C -2.035 173.738 176.000 -0.378 0.000 1.022 227 Q CA -0.392 55.325 55.803 -0.142 0.000 0.796 227 Q CB 1.005 29.861 28.738 0.196 0.000 1.271 227 Q HN 0.582 nan 8.270 nan 0.000 0.450 228 F N 2.242 122.302 119.950 0.184 0.000 2.450 228 F HA 0.440 4.960 4.527 -0.010 0.000 0.332 228 F C 0.375 176.343 175.800 0.281 0.000 1.093 228 F CA -0.944 57.153 58.000 0.162 0.000 1.003 228 F CB 1.430 40.444 39.000 0.024 0.000 1.151 228 F HN 0.469 nan 8.300 nan 0.000 0.474 229 N N 1.751 120.686 118.700 0.393 0.000 2.443 229 N HA 0.216 4.950 4.740 -0.010 0.000 0.269 229 N C -0.875 174.818 175.510 0.305 0.000 0.985 229 N CA -0.294 52.939 53.050 0.305 0.000 0.921 229 N CB 1.177 39.787 38.487 0.204 0.000 1.195 229 N HN 0.563 nan 8.380 nan 0.000 0.492 230 D N 1.486 122.081 120.400 0.325 0.000 2.402 230 D HA 0.127 4.761 4.640 -0.010 0.000 0.216 230 D C 1.219 177.636 176.300 0.195 0.000 1.128 230 D CA 0.169 54.343 54.000 0.291 0.000 0.833 230 D CB 0.554 41.598 40.800 0.407 0.000 0.971 230 D HN 0.484 nan 8.370 nan 0.000 0.503 231 T N 0.447 115.093 114.554 0.155 0.000 2.592 231 T HA -0.238 4.106 4.350 -0.010 0.000 0.267 231 T C 1.438 176.195 174.700 0.096 0.000 1.060 231 T CA 1.440 63.605 62.100 0.108 0.000 1.167 231 T CB -0.105 68.815 68.868 0.088 0.000 0.863 231 T HN 0.285 nan 8.240 nan 0.000 0.431 232 E N 0.392 120.650 120.200 0.096 0.000 2.479 232 E HA 0.145 4.489 4.350 -0.010 0.000 0.193 232 E C -0.282 176.370 176.600 0.087 0.000 1.049 232 E CA -0.280 56.168 56.400 0.080 0.000 0.870 232 E CB 0.363 30.103 29.700 0.067 0.000 0.944 232 E HN 0.218 nan 8.360 nan 0.000 0.492 233 V N 3.886 123.867 119.914 0.112 0.000 2.485 233 V HA 0.040 4.154 4.120 -0.010 0.000 0.287 233 V C -1.991 174.164 176.094 0.102 0.000 1.022 233 V CA -1.231 61.140 62.300 0.118 0.000 1.067 233 V CB -0.120 31.795 31.823 0.153 0.000 0.967 233 V HN 0.045 nan 8.190 nan 0.000 0.479 234 P HA 0.276 nan 4.420 nan 0.000 0.272 234 P C -0.673 176.667 177.300 0.066 0.000 1.230 234 P CA -0.288 62.852 63.100 0.067 0.000 0.788 234 P CB 0.526 32.262 31.700 0.059 0.000 0.949 235 L N 1.811 123.052 121.223 0.029 0.000 2.307 235 L HA 0.464 4.798 4.340 -0.010 0.000 0.284 235 L C 0.389 177.220 176.870 -0.067 0.000 1.023 235 L CA -1.094 53.748 54.840 0.003 0.000 0.810 235 L CB 1.092 43.149 42.059 -0.003 0.000 1.231 235 L HN 0.286 nan 8.230 nan 0.000 0.423 236 I N 2.540 123.025 120.570 -0.142 0.000 2.441 236 I HA 0.172 4.336 4.170 -0.010 0.000 0.287 236 I C -0.183 175.804 176.117 -0.216 0.000 1.049 236 I CA 0.463 61.582 61.300 -0.302 0.000 1.381 236 I CB 0.647 38.186 38.000 -0.769 0.000 1.409 236 I HN 0.581 nan 8.210 nan 0.000 0.523 237 E N 7.335 127.426 120.200 -0.181 0.000 2.222 237 E HA 0.534 4.878 4.350 -0.010 0.000 0.267 237 E C -1.720 174.827 176.600 -0.089 0.000 0.884 237 E CA -0.600 55.696 56.400 -0.173 0.000 0.764 237 E CB 1.975 31.594 29.700 -0.135 0.000 1.169 237 E HN 0.568 nan 8.360 nan 0.000 0.413 238 Y N -1.800 118.418 120.300 -0.137 0.000 2.609 238 Y HA 0.533 5.077 4.550 -0.010 0.000 0.336 238 Y C -0.980 174.849 175.900 -0.118 0.000 1.129 238 Y CA -1.283 56.740 58.100 -0.128 0.000 1.040 238 Y CB 0.798 39.189 38.460 -0.116 0.000 1.310 238 Y HN 0.228 nan 8.280 nan 0.000 0.460 239 S N 2.082 117.777 115.700 -0.008 0.000 2.537 239 S HA 0.485 4.949 4.470 -0.010 0.000 0.275 239 S C -1.368 173.082 174.600 -0.250 0.000 1.272 239 S CA -0.413 57.628 58.200 -0.266 0.000 1.050 239 S CB 0.448 63.332 63.200 -0.527 0.000 0.961 239 S HN 0.542 nan 8.310 nan 0.000 0.496 240 F N 2.435 122.143 119.950 -0.402 0.000 2.427 240 F HA 0.406 4.927 4.527 -0.010 0.000 0.348 240 F C -0.006 175.589 175.800 -0.340 0.000 1.125 240 F CA -0.807 57.038 58.000 -0.257 0.000 0.989 240 F CB 0.745 39.714 39.000 -0.053 0.000 1.165 240 F HN 0.672 nan 8.300 nan 0.000 0.442 241 Y N 2.669 122.794 120.300 -0.291 0.000 2.365 241 Y HA 0.047 4.591 4.550 -0.010 0.000 0.293 241 Y C 1.765 177.614 175.900 -0.084 0.000 1.119 241 Y CA 1.146 59.152 58.100 -0.156 0.000 1.203 241 Y CB -0.541 37.809 38.460 -0.183 0.000 1.026 241 Y HN 0.734 nan 8.280 nan 0.000 0.549 242 S N -0.138 115.518 115.700 -0.072 0.000 3.307 242 S HA -0.277 4.187 4.470 -0.010 0.000 0.634 242 S C -0.386 174.275 174.600 0.101 0.000 2.711 242 S CA 0.256 58.544 58.200 0.147 0.000 2.940 242 S CB -1.227 62.166 63.200 0.323 0.000 0.331 242 S HN 0.480 nan 8.310 nan 0.000 1.766 243 D N 1.473 121.947 120.400 0.123 0.000 2.449 243 D HA 0.178 4.812 4.640 -0.010 0.000 0.236 243 D C 1.376 177.713 176.300 0.060 0.000 1.149 243 D CA 0.941 54.990 54.000 0.082 0.000 0.878 243 D CB 0.297 41.145 40.800 0.080 0.000 1.198 243 D HN 0.554 nan 8.370 nan 0.000 0.446 244 E N 0.773 120.996 120.200 0.038 0.000 2.253 244 E HA -0.287 4.057 4.350 -0.010 0.000 0.202 244 E C 1.296 177.909 176.600 0.022 0.000 1.014 244 E CA 1.457 57.869 56.400 0.021 0.000 0.823 244 E CB 0.109 29.815 29.700 0.011 0.000 0.736 244 E HN 0.473 nan 8.360 nan 0.000 0.478 245 S N -0.194 115.525 115.700 0.033 0.000 2.522 245 S HA -0.008 4.456 4.470 -0.010 0.000 0.227 245 S C 1.047 175.672 174.600 0.042 0.000 0.986 245 S CA -0.159 58.060 58.200 0.032 0.000 0.929 245 S CB -0.031 63.190 63.200 0.035 0.000 0.769 245 S HN 0.233 nan 8.310 nan 0.000 0.529 246 L N 2.502 123.759 121.223 0.057 0.000 2.407 246 L HA 0.169 4.503 4.340 -0.010 0.000 0.282 246 L C 1.575 178.474 176.870 0.048 0.000 1.110 246 L CA -0.006 54.878 54.840 0.073 0.000 0.863 246 L CB 0.938 43.059 42.059 0.103 0.000 1.207 246 L HN 0.449 nan 8.230 nan 0.000 0.454 247 Q N 4.036 123.861 119.800 0.041 0.000 2.079 247 Q HA -0.107 4.227 4.340 -0.010 0.000 0.200 247 Q C -0.538 175.352 176.000 -0.183 0.000 0.974 247 Q CA 1.367 57.130 55.803 -0.066 0.000 0.840 247 Q CB 0.214 28.926 28.738 -0.043 0.000 0.898 247 Q HN 0.579 nan 8.270 nan 0.000 0.430 248 Y N 0.800 121.116 120.300 0.026 0.000 2.328 248 Y HA 0.361 4.905 4.550 -0.010 0.000 0.337 248 Y C -2.025 173.889 175.900 0.023 0.000 0.966 248 Y CA -2.893 55.219 58.100 0.021 0.000 1.136 248 Y CB 1.290 39.754 38.460 0.007 0.000 1.170 248 Y HN 0.155 nan 8.280 nan 0.000 0.470 249 P HA -0.056 nan 4.420 nan 0.000 0.265 249 P C -0.591 176.727 177.300 0.031 0.000 1.187 249 P CA -0.138 62.995 63.100 0.056 0.000 0.766 249 P CB 0.630 32.330 31.700 -0.000 0.000 0.820 250 K N 1.702 122.107 120.400 0.008 0.000 2.174 250 K HA 0.304 4.618 4.320 -0.010 0.000 0.275 250 K C -0.654 175.902 176.600 -0.073 0.000 1.015 250 K CA -0.283 56.004 56.287 -0.001 0.000 0.933 250 K CB 0.479 33.010 32.500 0.052 0.000 1.025 250 K HN 0.314 nan 8.250 nan 0.000 0.463 251 T N 3.358 117.854 114.554 -0.097 0.000 2.770 251 T HA 0.223 4.567 4.350 -0.010 0.000 0.297 251 T C -0.658 173.913 174.700 -0.215 0.000 0.997 251 T CA -0.623 61.381 62.100 -0.160 0.000 0.949 251 T CB 0.959 69.750 68.868 -0.128 0.000 0.941 251 T HN 0.306 nan 8.240 nan 0.000 0.457 252 V N 5.712 125.398 119.914 -0.380 0.000 2.498 252 V HA 0.422 4.536 4.120 -0.010 0.000 0.279 252 V C 0.423 176.242 176.094 -0.459 0.000 1.048 252 V CA -0.522 61.502 62.300 -0.460 0.000 0.967 252 V CB 0.718 32.111 31.823 -0.717 0.000 0.988 252 V HN 0.713 nan 8.190 nan 0.000 0.473 253 R N 3.639 124.006 120.500 -0.222 0.000 2.439 253 R HA 0.760 5.094 4.340 -0.010 0.000 0.310 253 R C -1.653 174.642 176.300 -0.008 0.000 0.955 253 R CA -0.595 55.427 56.100 -0.131 0.000 0.853 253 R CB 2.236 32.486 30.300 -0.084 0.000 1.171 253 R HN 0.507 nan 8.270 nan 0.000 0.449 254 V N 3.983 123.902 119.914 0.009 0.000 2.623 254 V HA 0.330 4.444 4.120 -0.010 0.000 0.304 254 V C -2.414 173.741 176.094 0.101 0.000 1.054 254 V CA -2.364 60.010 62.300 0.124 0.000 0.882 254 V CB 2.257 34.145 31.823 0.108 0.000 1.002 254 V HN 0.630 nan 8.190 nan 0.000 0.424 255 P HA 0.192 nan 4.420 nan 0.000 0.265 255 P C -1.321 176.089 177.300 0.183 0.000 1.222 255 P CA 0.339 63.547 63.100 0.179 0.000 0.767 255 P CB -0.155 31.689 31.700 0.240 0.000 0.801 256 Y N 6.137 126.421 120.300 -0.028 0.000 2.315 256 Y HA 0.389 4.933 4.550 -0.010 0.000 0.324 256 Y C -2.629 173.251 175.900 -0.033 0.000 1.062 256 Y CA -2.720 55.313 58.100 -0.111 0.000 1.159 256 Y CB 2.162 40.447 38.460 -0.293 0.000 1.145 256 Y HN 0.286 nan 8.280 nan 0.000 0.442 257 P HA 0.222 nan 4.420 nan 0.000 0.288 257 P C -1.055 176.282 177.300 0.063 0.000 1.363 257 P CA -0.195 62.936 63.100 0.051 0.000 0.837 257 P CB 0.990 32.710 31.700 0.034 0.000 0.981 258 K N 2.047 122.594 120.400 0.246 0.000 2.180 258 K HA 0.415 4.729 4.320 -0.010 0.000 0.251 258 K C 0.674 177.383 176.600 0.182 0.000 1.014 258 K CA -0.580 55.871 56.287 0.274 0.000 0.913 258 K CB 0.403 33.082 32.500 0.299 0.000 1.008 258 K HN 0.443 nan 8.250 nan 0.000 0.490 259 A N 0.987 123.941 122.820 0.223 0.000 2.591 259 A HA 0.207 4.521 4.320 -0.010 0.000 0.244 259 A C 1.250 178.887 177.584 0.088 0.000 1.031 259 A CA 1.018 53.173 52.037 0.197 0.000 0.767 259 A CB -1.222 17.977 19.000 0.332 0.000 0.942 259 A HN 0.931 nan 8.150 nan 0.000 0.514 260 G N 0.830 109.670 108.800 0.066 0.000 2.162 260 G HA2 0.110 4.064 3.960 -0.010 0.000 0.260 260 G HA3 0.110 4.064 3.960 -0.010 0.000 0.260 260 G C 0.618 175.536 174.900 0.031 0.000 0.976 260 G CA 0.885 45.996 45.100 0.019 0.000 0.655 260 G HN 2.201 nan 8.290 nan 0.000 0.533 261 A N -0.675 122.181 122.820 0.059 0.000 2.239 261 A HA 0.797 5.112 4.320 -0.010 0.000 0.303 261 A C 0.787 178.407 177.584 0.060 0.000 1.114 261 A CA 0.161 52.235 52.037 0.061 0.000 0.871 261 A CB 0.842 19.892 19.000 0.083 0.000 1.201 261 A HN 1.143 nan 8.150 nan 0.000 0.506 262 V N 2.491 122.441 119.914 0.060 0.000 2.493 262 V HA 0.008 4.122 4.120 -0.010 0.000 0.292 262 V C 0.307 176.450 176.094 0.082 0.000 1.016 262 V CA -0.040 62.297 62.300 0.062 0.000 1.097 262 V CB -0.401 31.459 31.823 0.061 0.000 0.947 262 V HN 0.754 nan 8.190 nan 0.000 0.479 263 N N 6.480 125.228 118.700 0.080 0.000 2.515 263 N HA 0.405 5.139 4.740 -0.010 0.000 0.279 263 N C -2.335 173.264 175.510 0.148 0.000 1.164 263 N CA -1.519 51.602 53.050 0.119 0.000 0.982 263 N CB 1.165 39.718 38.487 0.109 0.000 1.170 263 N HN 0.394 nan 8.380 nan 0.000 0.474 264 P HA 0.009 nan 4.420 nan 0.000 0.267 264 P C -0.227 177.232 177.300 0.266 0.000 1.200 264 P CA 0.009 63.275 63.100 0.276 0.000 0.772 264 P CB 0.146 32.070 31.700 0.374 0.000 0.855 265 T N -0.898 113.787 114.554 0.219 0.000 2.927 265 T HA 0.547 4.891 4.350 -0.010 0.000 0.281 265 T C -0.186 174.637 174.700 0.206 0.000 0.998 265 T CA -0.804 61.385 62.100 0.148 0.000 1.019 265 T CB 1.454 70.378 68.868 0.095 0.000 1.061 265 T HN 0.308 nan 8.240 nan 0.000 0.518 266 V N 0.701 120.705 119.914 0.151 0.000 2.760 266 V HA 0.672 4.787 4.120 -0.010 0.000 0.309 266 V C -1.305 174.884 176.094 0.157 0.000 1.077 266 V CA -0.831 61.541 62.300 0.119 0.000 0.910 266 V CB 2.036 33.961 31.823 0.169 0.000 1.008 266 V HN 1.037 nan 8.190 nan 0.000 0.424 267 K N 4.556 124.990 120.400 0.057 0.000 2.350 267 K HA 0.645 4.960 4.320 -0.010 0.000 0.241 267 K C -1.831 174.711 176.600 -0.097 0.000 0.994 267 K CA -0.580 55.709 56.287 0.003 0.000 0.839 267 K CB 2.783 35.270 32.500 -0.021 0.000 1.244 267 K HN 0.528 nan 8.250 nan 0.000 0.443 268 F N 1.561 121.185 119.950 -0.544 0.000 2.556 268 F HA 0.566 5.087 4.527 -0.010 0.000 0.314 268 F C -1.606 173.592 175.800 -1.004 0.000 1.106 268 F CA -0.689 56.974 58.000 -0.561 0.000 0.911 268 F CB 1.025 39.852 39.000 -0.289 0.000 1.190 268 F HN 0.380 nan 8.300 nan 0.000 0.448 269 F N 3.871 123.090 119.950 -1.219 0.000 2.599 269 F HA 0.753 5.274 4.527 -0.010 0.000 0.311 269 F C -1.059 174.119 175.800 -1.037 0.000 1.076 269 F CA -1.212 56.182 58.000 -1.010 0.000 0.937 269 F CB 2.097 40.390 39.000 -1.179 0.000 1.282 269 F HN 0.150 nan 8.300 nan 0.000 0.460 270 V N 2.649 122.359 119.914 -0.340 0.000 2.638 270 V HA 0.661 4.775 4.120 -0.010 0.000 0.306 270 V C -1.090 175.112 176.094 0.181 0.000 1.052 270 V CA -0.815 61.397 62.300 -0.145 0.000 0.885 270 V CB 1.990 33.571 31.823 -0.402 0.000 0.999 270 V HN 0.631 nan 8.190 nan 0.000 0.424 271 V N 3.572 123.655 119.914 0.281 0.000 2.864 271 V HA 0.592 4.706 4.120 -0.010 0.000 0.314 271 V C -0.531 175.755 176.094 0.321 0.000 1.073 271 V CA -0.679 61.800 62.300 0.298 0.000 0.956 271 V CB 2.361 34.309 31.823 0.209 0.000 1.023 271 V HN 0.926 nan 8.190 nan 0.000 0.435 272 N N 2.481 121.320 118.700 0.231 0.000 2.414 272 N HA 0.175 4.909 4.740 -0.010 0.000 0.256 272 N C 0.957 176.439 175.510 -0.047 0.000 1.029 272 N CA 0.539 53.605 53.050 0.027 0.000 0.948 272 N CB 1.803 40.296 38.487 0.010 0.000 1.102 272 N HN 0.890 nan 8.380 nan 0.000 0.496 273 T N -0.342 114.168 114.554 -0.072 0.000 3.043 273 T HA 0.024 4.368 4.350 -0.010 0.000 0.263 273 T C 0.840 175.471 174.700 -0.115 0.000 1.094 273 T CA 0.686 62.754 62.100 -0.053 0.000 1.127 273 T CB 0.198 69.128 68.868 0.102 0.000 0.905 273 T HN 0.283 nan 8.240 nan 0.000 0.490 274 D N 2.244 122.557 120.400 -0.145 0.000 2.194 274 D HA 0.003 4.637 4.640 -0.010 0.000 0.204 274 D C 1.634 177.863 176.300 -0.119 0.000 0.964 274 D CA 1.220 55.141 54.000 -0.131 0.000 0.846 274 D CB -0.037 40.675 40.800 -0.147 0.000 0.962 274 D HN 0.635 nan 8.370 nan 0.000 0.490 275 S N 0.462 116.093 115.700 -0.115 0.000 2.526 275 S HA 0.224 4.688 4.470 -0.010 0.000 0.247 275 S C 0.197 174.733 174.600 -0.106 0.000 1.076 275 S CA -0.630 57.523 58.200 -0.078 0.000 1.105 275 S CB -0.120 63.061 63.200 -0.031 0.000 0.793 275 S HN -0.090 nan 8.310 nan 0.000 0.458 276 L N 2.439 123.532 121.223 -0.217 0.000 2.305 276 L HA 0.556 4.890 4.340 -0.010 0.000 0.281 276 L C 0.252 176.928 176.870 -0.323 0.000 1.085 276 L CA 0.209 54.820 54.840 -0.382 0.000 0.813 276 L CB 1.382 42.973 42.059 -0.780 0.000 1.157 276 L HN 0.411 nan 8.230 nan 0.000 0.436 277 S N 1.599 117.234 115.700 -0.108 0.000 2.593 277 S HA 0.446 4.910 4.470 -0.010 0.000 0.297 277 S C 0.892 175.684 174.600 0.320 0.000 1.112 277 S CA -0.420 57.837 58.200 0.095 0.000 1.043 277 S CB 1.568 64.814 63.200 0.076 0.000 1.054 277 S HN 0.699 nan 8.310 nan 0.000 0.516 278 S N 1.906 117.793 115.700 0.312 0.000 2.421 278 S HA 0.017 4.481 4.470 -0.010 0.000 0.224 278 S C 1.579 176.272 174.600 0.155 0.000 1.035 278 S CA 0.627 58.978 58.200 0.252 0.000 0.953 278 S CB -0.024 63.273 63.200 0.162 0.000 0.810 278 S HN 0.622 nan 8.310 nan 0.000 0.497 279 V N 1.850 121.836 119.914 0.120 0.000 3.306 279 V HA 0.113 4.227 4.120 -0.010 0.000 0.264 279 V C 0.981 177.120 176.094 0.074 0.000 1.149 279 V CA 0.933 63.282 62.300 0.081 0.000 1.143 279 V CB -0.953 30.906 31.823 0.060 0.000 0.767 279 V HN 0.610 nan 8.190 nan 0.000 0.476 280 T N -2.345 112.265 114.554 0.093 0.000 2.909 280 T HA 0.463 4.807 4.350 -0.010 0.000 0.299 280 T C -0.522 174.246 174.700 0.113 0.000 1.073 280 T CA -0.778 61.367 62.100 0.076 0.000 0.999 280 T CB 2.059 70.960 68.868 0.055 0.000 1.098 280 T HN -0.006 nan 8.240 nan 0.000 0.477 281 N N 0.921 119.680 118.700 0.099 0.000 2.415 281 N HA 0.476 5.210 4.740 -0.010 0.000 0.248 281 N C 0.184 175.773 175.510 0.132 0.000 1.271 281 N CA -0.110 53.035 53.050 0.159 0.000 0.913 281 N CB 0.621 39.175 38.487 0.111 0.000 1.129 281 N HN 1.021 nan 8.380 nan 0.000 0.444 282 A N 0.385 123.295 122.820 0.151 0.000 2.388 282 A HA 0.280 4.594 4.320 -0.010 0.000 0.257 282 A C 0.416 178.058 177.584 0.097 0.000 1.095 282 A CA -0.261 51.832 52.037 0.094 0.000 0.791 282 A CB 0.092 19.126 19.000 0.057 0.000 1.029 282 A HN 0.524 nan 8.150 nan 0.000 0.489 283 T N 2.002 116.615 114.554 0.098 0.000 2.853 283 T HA 0.450 4.794 4.350 -0.010 0.000 0.317 283 T C -0.059 174.732 174.700 0.152 0.000 1.059 283 T CA -0.307 61.861 62.100 0.113 0.000 0.954 283 T CB -0.383 68.549 68.868 0.108 0.000 0.994 283 T HN 0.501 nan 8.240 nan 0.000 0.479 284 S N 5.741 121.529 115.700 0.147 0.000 2.523 284 S HA 0.436 4.901 4.470 -0.010 0.000 0.275 284 S C 0.356 175.120 174.600 0.275 0.000 1.281 284 S CA -0.785 57.535 58.200 0.200 0.000 1.050 284 S CB 0.154 63.433 63.200 0.133 0.000 0.937 284 S HN 0.644 nan 8.310 nan 0.000 0.492 285 I N 3.423 124.172 120.570 0.298 0.000 2.342 285 I HA 0.277 4.441 4.170 -0.010 0.000 0.291 285 I C 0.559 176.785 176.117 0.182 0.000 1.010 285 I CA -0.211 61.265 61.300 0.293 0.000 1.308 285 I CB 0.589 38.853 38.000 0.441 0.000 1.400 285 I HN 0.640 nan 8.210 nan 0.000 0.488 286 Q N 5.903 125.775 119.800 0.120 0.000 2.243 286 Q HA 0.532 4.866 4.340 -0.010 0.000 0.252 286 Q C -1.105 174.821 176.000 -0.124 0.000 0.909 286 Q CA -0.533 55.142 55.803 -0.214 0.000 0.922 286 Q CB 1.445 30.027 28.738 -0.261 0.000 1.215 286 Q HN 0.570 nan 8.270 nan 0.000 0.427 287 I N 3.592 124.063 120.570 -0.164 0.000 2.355 287 I HA 0.214 4.378 4.170 -0.010 0.000 0.288 287 I C 0.410 176.484 176.117 -0.071 0.000 0.999 287 I CA -0.669 60.601 61.300 -0.050 0.000 1.163 287 I CB 1.688 39.686 38.000 -0.003 0.000 1.316 287 I HN 0.658 nan 8.210 nan 0.000 0.454 288 T N 2.925 117.409 114.554 -0.116 0.000 2.868 288 T HA 0.642 4.986 4.350 -0.010 0.000 0.292 288 T C 0.324 174.794 174.700 -0.384 0.000 1.028 288 T CA -0.844 61.130 62.100 -0.211 0.000 1.059 288 T CB 1.426 70.180 68.868 -0.190 0.000 0.991 288 T HN 0.601 nan 8.240 nan 0.000 0.531 289 A N 2.826 125.204 122.820 -0.737 0.000 2.351 289 A HA 0.620 4.934 4.320 -0.010 0.000 0.257 289 A C -1.963 175.145 177.584 -0.793 0.000 1.087 289 A CA -1.685 49.526 52.037 -1.376 0.000 0.798 289 A CB -0.556 17.306 19.000 -1.897 0.000 1.033 289 A HN 0.805 nan 8.150 nan 0.000 0.488 290 P HA 0.193 nan 4.420 nan 0.000 0.272 290 P C 0.847 177.943 177.300 -0.339 0.000 1.230 290 P CA 0.490 63.360 63.100 -0.383 0.000 0.788 290 P CB 0.794 32.337 31.700 -0.262 0.000 0.949 291 A N 2.598 125.283 122.820 -0.225 0.000 1.903 291 A HA -0.234 4.080 4.320 -0.010 0.000 0.219 291 A C 2.016 179.489 177.584 -0.184 0.000 1.191 291 A CA 2.762 54.688 52.037 -0.186 0.000 0.638 291 A CB -1.951 16.972 19.000 -0.128 0.000 0.823 291 A HN 0.678 nan 8.150 nan 0.000 0.451 292 S N -1.765 113.847 115.700 -0.147 0.000 2.660 292 S HA 0.147 4.611 4.470 -0.010 0.000 0.228 292 S C 1.273 175.791 174.600 -0.137 0.000 0.966 292 S CA 1.011 59.137 58.200 -0.122 0.000 0.940 292 S CB -0.033 63.139 63.200 -0.046 0.000 0.773 292 S HN 0.439 nan 8.310 nan 0.000 0.535 293 M N 0.012 119.466 119.600 -0.243 0.000 2.564 293 M HA 0.378 4.852 4.480 -0.010 0.000 0.254 293 M C 1.585 177.585 176.300 -0.501 0.000 1.299 293 M CA 0.457 55.552 55.300 -0.343 0.000 1.143 293 M CB -0.665 31.637 32.600 -0.496 0.000 1.427 293 M HN 0.322 nan 8.290 nan 0.000 0.538 294 L N 0.150 121.092 121.223 -0.468 0.000 2.201 294 L HA -0.149 4.185 4.340 -0.010 0.000 0.212 294 L C 2.363 179.141 176.870 -0.153 0.000 1.105 294 L CA 0.470 55.108 54.840 -0.336 0.000 0.775 294 L CB -0.696 41.200 42.059 -0.272 0.000 0.913 294 L HN 0.178 nan 8.230 nan 0.000 0.440 295 I N -0.081 120.403 120.570 -0.144 0.000 2.300 295 I HA -0.165 3.999 4.170 -0.010 0.000 0.252 295 I C 1.135 177.220 176.117 -0.054 0.000 1.119 295 I CA 1.326 62.570 61.300 -0.093 0.000 1.384 295 I CB -0.484 37.454 38.000 -0.105 0.000 1.062 295 I HN 0.169 nan 8.210 nan 0.000 0.426 296 G N -1.787 106.995 108.800 -0.029 0.000 2.911 296 G HA2 0.317 4.272 3.960 -0.010 0.000 0.299 296 G HA3 0.317 4.272 3.960 -0.010 0.000 0.299 296 G C -1.509 173.441 174.900 0.083 0.000 1.283 296 G CA -0.560 44.544 45.100 0.008 0.000 0.805 296 G HN -0.006 nan 8.290 nan 0.000 0.548 297 D N 1.314 121.724 120.400 0.018 0.000 2.424 297 D HA 0.407 5.041 4.640 -0.010 0.000 0.244 297 D C 0.231 176.488 176.300 -0.072 0.000 1.134 297 D CA 0.629 54.595 54.000 -0.057 0.000 0.881 297 D CB 0.516 41.235 40.800 -0.135 0.000 1.191 297 D HN 0.520 nan 8.370 nan 0.000 0.445 298 H N -0.560 118.368 119.070 -0.236 0.000 3.008 298 H HA 0.458 5.008 4.556 -0.010 0.000 0.354 298 H C -1.372 173.815 175.328 -0.236 0.000 1.252 298 H CA -0.861 55.063 56.048 -0.205 0.000 1.117 298 H CB 0.300 30.063 29.762 0.002 0.000 1.857 298 H HN 0.290 nan 8.280 nan 0.000 0.547 299 Y N 0.347 120.826 120.300 0.298 0.000 2.485 299 Y HA 0.354 4.898 4.550 -0.010 0.000 0.345 299 Y C -0.049 176.092 175.900 0.402 0.000 0.998 299 Y CA -1.252 57.030 58.100 0.304 0.000 1.059 299 Y CB 1.874 40.375 38.460 0.069 0.000 1.234 299 Y HN 0.471 nan 8.280 nan 0.000 0.461 300 L N 3.440 124.987 121.223 0.540 0.000 2.313 300 L HA 0.294 4.628 4.340 -0.010 0.000 0.282 300 L C 0.548 177.450 176.870 0.053 0.000 1.092 300 L CA -0.061 54.770 54.840 -0.015 0.000 0.831 300 L CB 0.290 42.234 42.059 -0.191 0.000 1.159 300 L HN 1.031 nan 8.230 nan 0.000 0.442 301 C N 1.523 120.719 119.300 -0.173 0.000 3.364 301 C HA 0.495 4.949 4.460 -0.010 0.000 0.340 301 C C 0.248 175.077 174.990 -0.268 0.000 1.336 301 C CA -0.277 58.574 59.018 -0.278 0.000 1.778 301 C CB -0.496 27.143 27.740 -0.168 0.000 2.398 301 C HN 0.859 nan 8.230 nan 0.000 0.667 302 D N 0.249 120.528 120.400 -0.202 0.000 2.803 302 D HA 0.506 5.140 4.640 -0.010 0.000 0.218 302 D C -1.806 174.258 176.300 -0.393 0.000 1.245 302 D CA 0.116 54.035 54.000 -0.134 0.000 0.821 302 D CB 2.798 43.508 40.800 -0.150 0.000 1.626 302 D HN 0.096 nan 8.370 nan 0.000 0.487 303 V N 1.858 121.486 119.914 -0.477 0.000 2.686 303 V HA 0.653 4.767 4.120 -0.010 0.000 0.306 303 V C -0.492 175.270 176.094 -0.553 0.000 1.065 303 V CA -0.472 61.330 62.300 -0.831 0.000 0.894 303 V CB 2.067 32.901 31.823 -1.649 0.000 1.004 303 V HN 0.685 nan 8.190 nan 0.000 0.424 304 T N 2.728 117.022 114.554 -0.434 0.000 3.172 304 T HA 0.363 4.707 4.350 -0.010 0.000 0.320 304 T C -1.195 173.382 174.700 -0.206 0.000 1.085 304 T CA -0.520 61.484 62.100 -0.160 0.000 1.052 304 T CB 1.038 69.881 68.868 -0.041 0.000 1.107 304 T HN 0.525 nan 8.240 nan 0.000 0.458 305 W N 1.860 123.110 121.300 -0.083 0.000 2.261 305 W HA 0.541 5.195 4.660 -0.010 0.000 0.323 305 W C 1.078 177.458 176.519 -0.232 0.000 1.243 305 W CA -0.342 56.933 57.345 -0.117 0.000 1.210 305 W CB 0.719 30.191 29.460 0.021 0.000 1.149 305 W HN 0.868 nan 8.180 nan 0.000 0.562 306 A N 1.708 124.390 122.820 -0.230 0.000 1.963 306 A HA 0.225 4.539 4.320 -0.010 0.000 0.207 306 A C 0.852 178.365 177.584 -0.119 0.000 1.243 306 A CA 1.474 53.132 52.037 -0.630 0.000 0.728 306 A CB -0.342 17.782 19.000 -1.460 0.000 0.895 306 A HN 0.528 nan 8.150 nan 0.000 0.467 307 T N -5.496 109.095 114.554 0.061 0.000 2.618 307 T HA 0.342 4.686 4.350 -0.010 0.000 0.286 307 T C 0.177 175.028 174.700 0.252 0.000 1.027 307 T CA -0.387 61.799 62.100 0.143 0.000 1.063 307 T CB 0.596 69.531 68.868 0.112 0.000 1.440 307 T HN -0.060 nan 8.240 nan 0.000 0.505 308 Q N 0.312 120.229 119.800 0.195 0.000 2.224 308 Q HA 0.061 4.395 4.340 -0.010 0.000 0.203 308 Q C 0.945 177.161 176.000 0.361 0.000 0.970 308 Q CA 1.431 57.356 55.803 0.203 0.000 0.865 308 Q CB -0.113 28.716 28.738 0.152 0.000 0.922 308 Q HN 0.809 nan 8.270 nan 0.000 0.445 309 E N -0.168 120.232 120.200 0.333 0.000 2.758 309 E HA 0.181 4.525 4.350 -0.010 0.000 0.215 309 E C -0.156 176.637 176.600 0.322 0.000 0.985 309 E CA -0.175 56.397 56.400 0.286 0.000 1.102 309 E CB 0.995 30.813 29.700 0.197 0.000 1.042 309 E HN -0.023 nan 8.360 nan 0.000 0.480 310 R N 1.416 122.138 120.500 0.370 0.000 2.621 310 R HA 0.569 4.903 4.340 -0.010 0.000 0.284 310 R C -1.791 174.494 176.300 -0.025 0.000 0.998 310 R CA -0.500 55.708 56.100 0.180 0.000 0.895 310 R CB 1.421 31.741 30.300 0.035 0.000 1.195 310 R HN 0.066 nan 8.270 nan 0.000 0.450 311 I N 2.840 123.237 120.570 -0.288 0.000 2.686 311 I HA 0.377 4.541 4.170 -0.010 0.000 0.295 311 I C -1.084 174.727 176.117 -0.509 0.000 1.114 311 I CA -0.533 60.360 61.300 -0.678 0.000 1.038 311 I CB 2.432 39.619 38.000 -1.354 0.000 1.238 311 I HN 0.876 nan 8.210 nan 0.000 0.420 312 S N 7.603 123.002 115.700 -0.502 0.000 2.475 312 S HA 0.765 5.230 4.470 -0.010 0.000 0.298 312 S C -1.009 173.295 174.600 -0.494 0.000 1.119 312 S CA -0.701 57.280 58.200 -0.366 0.000 1.085 312 S CB 1.503 64.604 63.200 -0.165 0.000 1.028 312 S HN 0.538 nan 8.310 nan 0.000 0.489 313 L N 2.348 123.287 121.223 -0.473 0.000 2.386 313 L HA 0.535 4.869 4.340 -0.010 0.000 0.271 313 L C -0.292 176.274 176.870 -0.506 0.000 0.993 313 L CA -0.665 53.784 54.840 -0.653 0.000 0.819 313 L CB 2.123 43.694 42.059 -0.814 0.000 1.294 313 L HN 0.679 nan 8.230 nan 0.000 0.414 314 Q N 1.960 121.410 119.800 -0.583 0.000 2.322 314 Q HA 0.404 4.738 4.340 -0.010 0.000 0.265 314 Q C -1.671 174.048 176.000 -0.468 0.000 0.985 314 Q CA -0.589 54.991 55.803 -0.372 0.000 0.849 314 Q CB 2.296 30.883 28.738 -0.251 0.000 1.274 314 Q HN 0.421 nan 8.270 nan 0.000 0.449 315 W N 2.333 123.585 121.300 -0.079 0.000 2.647 315 W HA 0.654 5.307 4.660 -0.010 0.000 0.353 315 W C -0.596 175.954 176.519 0.052 0.000 1.080 315 W CA -0.561 56.790 57.345 0.011 0.000 1.208 315 W CB 1.137 30.593 29.460 -0.006 0.000 1.396 315 W HN 0.324 nan 8.180 nan 0.000 0.573 316 L N 2.545 123.991 121.223 0.373 0.000 2.410 316 L HA 0.496 4.830 4.340 -0.010 0.000 0.270 316 L C 0.313 177.373 176.870 0.317 0.000 0.983 316 L CA -1.135 53.885 54.840 0.300 0.000 0.822 316 L CB 1.593 43.820 42.059 0.280 0.000 1.285 316 L HN 0.455 nan 8.230 nan 0.000 0.409 317 R N 1.799 122.451 120.500 0.254 0.000 2.784 317 R HA 0.061 4.395 4.340 -0.010 0.000 0.266 317 R C 1.033 177.397 176.300 0.107 0.000 1.044 317 R CA 0.015 56.213 56.100 0.163 0.000 1.151 317 R CB 0.650 31.034 30.300 0.141 0.000 1.037 317 R HN 0.610 nan 8.270 nan 0.000 0.478 318 R N 1.267 121.748 120.500 -0.032 0.000 2.096 318 R HA -0.044 4.290 4.340 -0.010 0.000 0.235 318 R C 0.373 176.727 176.300 0.091 0.000 1.127 318 R CA 1.118 57.181 56.100 -0.061 0.000 0.968 318 R CB 0.001 30.216 30.300 -0.141 0.000 0.861 318 R HN 0.456 nan 8.270 nan 0.000 0.440 319 I N 2.255 122.864 120.570 0.065 0.000 2.347 319 I HA -0.012 4.152 4.170 -0.010 0.000 0.294 319 I C 0.308 176.489 176.117 0.106 0.000 1.090 319 I CA 0.319 61.661 61.300 0.070 0.000 1.314 319 I CB 1.412 39.438 38.000 0.045 0.000 1.423 319 I HN 0.137 nan 8.210 nan 0.000 0.503 320 Q N 5.185 125.046 119.800 0.102 0.000 2.600 320 Q HA -0.005 4.329 4.340 -0.010 0.000 0.276 320 Q C 0.469 176.551 176.000 0.137 0.000 1.006 320 Q CA -0.050 55.827 55.803 0.124 0.000 0.942 320 Q CB -0.373 28.400 28.738 0.059 0.000 1.383 320 Q HN 0.649 nan 8.270 nan 0.000 0.414 321 N N -0.904 117.878 118.700 0.137 0.000 2.177 321 N HA -0.037 4.697 4.740 -0.010 0.000 0.218 321 N C -0.991 174.624 175.510 0.175 0.000 1.182 321 N CA -0.194 52.929 53.050 0.122 0.000 0.882 321 N CB 0.371 38.906 38.487 0.079 0.000 1.052 321 N HN 0.209 nan 8.380 nan 0.000 0.519 322 Y N 1.295 121.622 120.300 0.045 0.000 2.354 322 Y HA 0.554 5.098 4.550 -0.010 0.000 0.330 322 Y C -1.202 174.733 175.900 0.057 0.000 1.011 322 Y CA -0.897 57.227 58.100 0.039 0.000 1.099 322 Y CB 1.555 40.030 38.460 0.024 0.000 1.179 322 Y HN 0.153 nan 8.280 nan 0.000 0.442 323 S N 4.646 120.227 115.700 -0.198 0.000 2.541 323 S HA 0.845 5.309 4.470 -0.010 0.000 0.280 323 S C -1.862 172.627 174.600 -0.184 0.000 1.112 323 S CA -0.752 57.405 58.200 -0.071 0.000 0.925 323 S CB 1.585 64.786 63.200 0.002 0.000 1.067 323 S HN 0.425 nan 8.310 nan 0.000 0.479 324 V N 3.878 123.777 119.914 -0.025 0.000 2.513 324 V HA 0.564 4.678 4.120 -0.010 0.000 0.299 324 V C -0.110 176.011 176.094 0.045 0.000 1.035 324 V CA -0.720 61.570 62.300 -0.016 0.000 0.889 324 V CB 1.612 33.458 31.823 0.039 0.000 0.988 324 V HN 1.031 nan 8.190 nan 0.000 0.440 325 M N 3.972 123.564 119.600 -0.013 0.000 2.101 325 M HA 0.501 4.975 4.480 -0.010 0.000 0.340 325 M C -1.141 175.158 176.300 -0.003 0.000 1.057 325 M CA -0.335 54.937 55.300 -0.047 0.000 0.984 325 M CB 0.960 33.459 32.600 -0.167 0.000 1.560 325 M HN 0.557 nan 8.290 nan 0.000 0.435 326 D N 5.363 125.768 120.400 0.008 0.000 2.210 326 D HA 0.454 5.088 4.640 -0.010 0.000 0.249 326 D C -0.911 175.353 176.300 -0.060 0.000 1.078 326 D CA 0.094 54.093 54.000 -0.002 0.000 0.875 326 D CB 1.599 42.426 40.800 0.045 0.000 1.175 326 D HN 0.636 nan 8.370 nan 0.000 0.440 327 I N 2.677 123.233 120.570 -0.023 0.000 2.382 327 I HA 0.216 4.380 4.170 -0.010 0.000 0.285 327 I C -0.531 175.577 176.117 -0.015 0.000 1.007 327 I CA -0.435 60.846 61.300 -0.032 0.000 1.142 327 I CB 1.076 39.105 38.000 0.048 0.000 1.289 327 I HN 0.186 nan 8.210 nan 0.000 0.453 328 c N 4.290 122.869 118.600 -0.035 0.000 2.351 328 c HA 0.526 5.090 4.570 -0.010 0.000 0.326 328 c C -0.270 173.946 174.090 0.211 0.000 1.272 328 c CA -0.820 55.554 56.329 0.075 0.000 1.650 328 c CB 0.757 43.303 42.510 0.060 0.000 2.257 328 c HN 0.578 nan 8.230 nan 0.000 0.505 329 D N 0.549 121.066 120.400 0.195 0.000 2.252 329 D HA 0.244 4.878 4.640 -0.010 0.000 0.245 329 D C -0.711 175.534 176.300 -0.092 0.000 1.009 329 D CA -0.222 53.844 54.000 0.110 0.000 0.870 329 D CB 1.360 42.174 40.800 0.023 0.000 1.251 329 D HN 0.586 nan 8.370 nan 0.000 0.460 330 Y N 1.349 121.293 120.300 -0.594 0.000 2.377 330 Y HA 0.086 4.630 4.550 -0.010 0.000 0.330 330 Y C 0.164 175.777 175.900 -0.478 0.000 1.108 330 Y CA 0.055 57.515 58.100 -1.068 0.000 1.308 330 Y CB 0.685 38.451 38.460 -1.157 0.000 1.216 330 Y HN 0.153 nan 8.280 nan 0.000 0.518 331 D N 5.639 125.453 120.400 -0.975 0.000 2.428 331 D HA 0.050 4.685 4.640 -0.010 0.000 0.221 331 D C 0.673 176.452 176.300 -0.869 0.000 1.123 331 D CA 0.003 53.611 54.000 -0.653 0.000 0.869 331 D CB 0.905 41.452 40.800 -0.422 0.000 1.032 331 D HN 0.915 nan 8.370 nan 0.000 0.506 332 E N 1.634 121.537 120.200 -0.496 0.000 2.160 332 E HA -0.158 4.186 4.350 -0.010 0.000 0.195 332 E C 0.504 177.005 176.600 -0.165 0.000 0.991 332 E CA 0.682 56.940 56.400 -0.236 0.000 0.810 332 E CB 0.263 29.977 29.700 0.025 0.000 0.742 332 E HN 0.345 nan 8.360 nan 0.000 0.466 333 S N -1.027 114.572 115.700 -0.168 0.000 2.912 333 S HA 0.422 4.886 4.470 -0.010 0.000 0.184 333 S C 0.041 174.562 174.600 -0.132 0.000 1.390 333 S CA -0.495 57.641 58.200 -0.106 0.000 1.088 333 S CB 1.357 64.520 63.200 -0.061 0.000 1.284 333 S HN 0.052 nan 8.310 nan 0.000 0.502 334 S N 0.427 116.023 115.700 -0.174 0.000 4.026 334 S HA 0.436 4.900 4.470 -0.010 0.000 0.198 334 S C 1.221 175.751 174.600 -0.116 0.000 1.069 334 S CA 0.076 58.189 58.200 -0.145 0.000 1.200 334 S CB -0.329 62.758 63.200 -0.190 0.000 1.385 334 S HN 1.483 nan 8.310 nan 0.000 0.449 335 G N 1.996 110.655 108.800 -0.236 0.000 2.175 335 G HA2 -0.223 3.731 3.960 -0.010 0.000 0.244 335 G HA3 -0.223 3.731 3.960 -0.010 0.000 0.244 335 G C -0.045 174.836 174.900 -0.033 0.000 0.982 335 G CA 0.124 45.198 45.100 -0.043 0.000 0.641 335 G HN 0.432 nan 8.290 nan 0.000 0.527 336 R N -1.112 119.272 120.500 -0.193 0.000 2.573 336 R HA 0.554 4.889 4.340 -0.010 0.000 0.272 336 R C -0.750 175.423 176.300 -0.212 0.000 1.009 336 R CA -0.563 55.503 56.100 -0.056 0.000 1.059 336 R CB 0.794 31.078 30.300 -0.027 0.000 1.112 336 R HN 0.167 nan 8.270 nan 0.000 0.517 337 W N 1.154 122.455 121.300 0.001 0.000 2.429 337 W HA 0.337 4.991 4.660 -0.010 0.000 0.314 337 W C -0.277 176.221 176.519 -0.036 0.000 1.062 337 W CA -0.523 56.820 57.345 -0.004 0.000 1.211 337 W CB 1.111 30.581 29.460 0.016 0.000 1.305 337 W HN 0.243 nan 8.180 nan 0.000 0.476 338 N N 2.861 121.638 118.700 0.128 0.000 2.443 338 N HA 0.349 5.083 4.740 -0.010 0.000 0.269 338 N C -1.461 174.084 175.510 0.059 0.000 0.985 338 N CA -0.476 52.608 53.050 0.055 0.000 0.921 338 N CB 1.282 39.762 38.487 -0.012 0.000 1.195 338 N HN 0.223 nan 8.380 nan 0.000 0.492 339 c N 3.265 121.887 118.600 0.036 0.000 2.239 339 c HA 0.407 4.971 4.570 -0.010 0.000 0.323 339 c C 0.399 174.484 174.090 -0.008 0.000 1.205 339 c CA -1.225 55.112 56.329 0.013 0.000 1.584 339 c CB -0.905 41.603 42.510 -0.004 0.000 2.201 339 c HN 0.429 nan 8.230 nan 0.000 0.475 340 L N 3.124 124.343 121.223 -0.006 0.000 2.456 340 L HA 0.102 4.437 4.340 -0.010 0.000 0.272 340 L C 1.484 178.335 176.870 -0.032 0.000 1.189 340 L CA 0.282 55.111 54.840 -0.019 0.000 0.846 340 L CB 0.096 42.147 42.059 -0.013 0.000 1.111 340 L HN 0.564 nan 8.230 nan 0.000 0.475 341 V N 2.914 122.804 119.914 -0.041 0.000 2.490 341 V HA -0.222 3.893 4.120 -0.010 0.000 0.250 341 V C 2.194 178.248 176.094 -0.066 0.000 1.061 341 V CA 1.760 64.027 62.300 -0.054 0.000 1.064 341 V CB -0.543 31.250 31.823 -0.050 0.000 0.670 341 V HN 0.967 nan 8.190 nan 0.000 0.461 342 A N -0.446 122.340 122.820 -0.057 0.000 2.239 342 A HA -0.048 4.266 4.320 -0.010 0.000 0.209 342 A C 1.934 179.464 177.584 -0.090 0.000 1.171 342 A CA 0.720 52.716 52.037 -0.068 0.000 0.768 342 A CB -0.275 18.700 19.000 -0.042 0.000 0.790 342 A HN 0.479 nan 8.150 nan 0.000 0.478 343 R N -0.518 119.934 120.500 -0.081 0.000 2.476 343 R HA 0.162 4.496 4.340 -0.010 0.000 0.276 343 R C -0.235 176.002 176.300 -0.104 0.000 0.941 343 R CA -0.073 55.993 56.100 -0.056 0.000 1.088 343 R CB 0.148 30.465 30.300 0.029 0.000 1.216 343 R HN 0.590 nan 8.270 nan 0.000 0.533 344 Q N 1.237 120.941 119.800 -0.160 0.000 2.304 344 Q HA 0.134 4.468 4.340 -0.010 0.000 0.260 344 Q C -0.547 175.273 176.000 -0.301 0.000 0.965 344 Q CA 0.385 56.105 55.803 -0.137 0.000 0.898 344 Q CB 0.902 29.584 28.738 -0.093 0.000 1.196 344 Q HN 0.155 nan 8.270 nan 0.000 0.402 345 H N 2.833 121.855 119.070 -0.081 0.000 2.489 345 H HA 0.405 4.954 4.556 -0.010 0.000 0.343 345 H C -0.491 174.754 175.328 -0.139 0.000 1.086 345 H CA -0.517 55.465 56.048 -0.109 0.000 1.198 345 H CB 1.218 30.873 29.762 -0.178 0.000 1.490 345 H HN 0.490 nan 8.280 nan 0.000 0.504 346 I N 1.924 122.468 120.570 -0.043 0.000 2.437 346 I HA 0.172 4.336 4.170 -0.010 0.000 0.298 346 I C 0.246 176.289 176.117 -0.123 0.000 0.984 346 I CA -0.244 60.957 61.300 -0.164 0.000 1.214 346 I CB 1.706 39.580 38.000 -0.211 0.000 1.365 346 I HN 0.479 nan 8.210 nan 0.000 0.469 347 E N 7.849 127.934 120.200 -0.192 0.000 2.244 347 E HA 0.484 4.828 4.350 -0.010 0.000 0.260 347 E C -1.264 175.240 176.600 -0.160 0.000 0.884 347 E CA -0.643 55.693 56.400 -0.106 0.000 0.777 347 E CB 1.543 31.213 29.700 -0.050 0.000 1.197 347 E HN 0.638 nan 8.360 nan 0.000 0.416 348 M N 1.637 121.177 119.600 -0.100 0.000 2.775 348 M HA 0.706 5.180 4.480 -0.010 0.000 0.296 348 M C -1.191 175.109 176.300 0.000 0.000 1.248 348 M CA -0.746 54.525 55.300 -0.048 0.000 0.800 348 M CB 2.395 34.999 32.600 0.005 0.000 1.765 348 M HN 0.255 nan 8.290 nan 0.000 0.472 349 S N -0.610 115.100 115.700 0.017 0.000 2.566 349 S HA 0.456 4.920 4.470 -0.010 0.000 0.273 349 S C 0.054 174.646 174.600 -0.013 0.000 1.157 349 S CA -0.006 58.187 58.200 -0.010 0.000 0.938 349 S CB 1.688 64.856 63.200 -0.053 0.000 1.087 349 S HN 0.936 nan 8.310 nan 0.000 0.474 350 T N -0.032 114.513 114.554 -0.016 0.000 3.040 350 T HA 0.036 4.380 4.350 -0.010 0.000 0.252 350 T C 1.674 176.347 174.700 -0.045 0.000 1.064 350 T CA 1.074 63.164 62.100 -0.017 0.000 1.110 350 T CB -0.559 68.308 68.868 -0.002 0.000 0.921 350 T HN 0.686 nan 8.240 nan 0.000 0.480 351 T N -1.544 112.977 114.554 -0.055 0.000 3.067 351 T HA 0.554 4.898 4.350 -0.010 0.000 0.257 351 T C 1.214 175.730 174.700 -0.306 0.000 1.105 351 T CA 0.448 62.515 62.100 -0.055 0.000 1.104 351 T CB 0.102 69.017 68.868 0.079 0.000 0.925 351 T HN 0.642 nan 8.240 nan 0.000 0.498 352 G N 0.371 108.812 108.800 -0.599 0.000 2.795 352 G HA2 0.475 4.429 3.960 -0.010 0.000 0.127 352 G HA3 0.475 4.429 3.960 -0.010 0.000 0.127 352 G C -1.685 172.940 174.900 -0.459 0.000 1.203 352 G CA -0.526 43.975 45.100 -0.998 0.000 1.145 352 G HN 0.516 nan 8.290 nan 0.000 0.580 353 W N -0.047 120.996 121.300 -0.430 0.000 2.594 353 W HA 0.792 5.447 4.660 -0.009 0.000 0.365 353 W C -0.532 175.959 176.519 -0.046 0.000 1.196 353 W CA -1.391 55.851 57.345 -0.172 0.000 1.258 353 W CB 0.976 30.327 29.460 -0.182 0.000 1.405 353 W HN 0.279 nan 8.180 nan 0.000 0.640 354 V N 3.190 123.205 119.914 0.168 0.000 2.432 354 V HA 0.687 4.801 4.120 -0.010 0.000 0.275 354 V C 0.807 177.002 176.094 0.168 0.000 1.043 354 V CA 0.486 62.840 62.300 0.089 0.000 0.925 354 V CB -0.008 31.856 31.823 0.069 0.000 0.985 354 V HN 1.299 nan 8.190 nan 0.000 0.466 355 G N 5.174 114.028 108.800 0.090 0.000 2.829 355 G HA2 -0.198 3.756 3.960 -0.010 0.000 0.628 355 G HA3 -0.198 3.756 3.960 -0.010 0.000 0.628 355 G C 0.348 175.363 174.900 0.192 0.000 1.412 355 G CA 0.251 45.427 45.100 0.128 0.000 0.864 355 G HN 0.650 nan 8.290 nan 0.000 0.544 356 R N -0.848 119.748 120.500 0.161 0.000 2.061 356 R HA 0.123 4.457 4.340 -0.010 0.000 0.230 356 R C 2.142 178.412 176.300 -0.049 0.000 1.140 356 R CA 2.272 58.414 56.100 0.069 0.000 0.940 356 R CB -0.133 30.211 30.300 0.074 0.000 0.839 356 R HN 0.481 nan 8.270 nan 0.000 0.429 357 F N -0.914 119.176 119.950 0.234 0.000 2.711 357 F HA 0.250 4.771 4.527 -0.010 0.000 0.296 357 F C 0.391 176.232 175.800 0.067 0.000 1.096 357 F CA -0.445 57.644 58.000 0.149 0.000 1.280 357 F CB 0.687 39.773 39.000 0.144 0.000 1.060 357 F HN -0.110 nan 8.300 nan 0.000 0.608 358 R N -0.719 119.930 120.500 0.248 0.000 2.692 358 R HA 0.490 4.824 4.340 -0.010 0.000 0.269 358 R C -3.296 173.072 176.300 0.114 0.000 1.030 358 R CA -2.089 54.081 56.100 0.116 0.000 0.882 358 R CB 0.327 30.642 30.300 0.026 0.000 1.250 358 R HN -0.349 nan 8.270 nan 0.000 0.465 359 P HA -0.042 nan 4.420 nan 0.000 0.265 359 P C -0.201 177.130 177.300 0.051 0.000 1.187 359 P CA 0.040 63.171 63.100 0.051 0.000 0.766 359 P CB 0.856 32.559 31.700 0.004 0.000 0.820 360 S N 1.649 117.393 115.700 0.074 0.000 2.580 360 S HA 0.081 4.545 4.470 -0.010 0.000 0.266 360 S C 0.147 174.774 174.600 0.046 0.000 1.354 360 S CA -0.513 57.746 58.200 0.098 0.000 1.008 360 S CB 0.013 63.295 63.200 0.137 0.000 0.898 360 S HN 0.486 nan 8.310 nan 0.000 0.555 361 E N 2.613 122.853 120.200 0.066 0.000 2.242 361 E HA 0.490 4.834 4.350 -0.010 0.000 0.275 361 E C -2.913 173.639 176.600 -0.080 0.000 1.002 361 E CA -2.505 53.873 56.400 -0.036 0.000 0.841 361 E CB 0.765 30.442 29.700 -0.039 0.000 1.109 361 E HN 0.323 nan 8.360 nan 0.000 0.394 362 P HA 0.257 nan 4.420 nan 0.000 0.282 362 P C -0.732 176.380 177.300 -0.313 0.000 1.249 362 P CA -0.305 62.621 63.100 -0.290 0.000 0.806 362 P CB 0.642 31.800 31.700 -0.903 0.000 0.984 363 H N 2.349 121.450 119.070 0.052 0.000 2.792 363 H HA 0.287 4.837 4.556 -0.010 0.000 0.298 363 H C -0.253 175.209 175.328 0.224 0.000 1.042 363 H CA -0.329 55.835 56.048 0.193 0.000 1.300 363 H CB 0.127 30.034 29.762 0.240 0.000 1.431 363 H HN 0.313 nan 8.280 nan 0.000 0.496 364 F N 1.897 122.024 119.950 0.294 0.000 2.418 364 F HA 0.053 4.574 4.527 -0.009 0.000 0.341 364 F C 1.608 177.579 175.800 0.284 0.000 1.120 364 F CA -0.343 57.818 58.000 0.269 0.000 1.232 364 F CB 0.943 40.038 39.000 0.160 0.000 1.175 364 F HN 0.338 nan 8.300 nan 0.000 0.569 365 T N 0.885 115.711 114.554 0.454 0.000 2.828 365 T HA 0.169 4.513 4.350 -0.010 0.000 0.290 365 T C 1.183 176.062 174.700 0.298 0.000 1.019 365 T CA -0.765 61.548 62.100 0.355 0.000 1.031 365 T CB 0.839 69.894 68.868 0.311 0.000 1.001 365 T HN 0.665 nan 8.240 nan 0.000 0.531 366 L N 1.121 122.479 121.223 0.225 0.000 2.010 366 L HA -0.233 4.101 4.340 -0.010 0.000 0.219 366 L C 1.931 178.899 176.870 0.163 0.000 1.077 366 L CA 2.762 57.708 54.840 0.176 0.000 0.773 366 L CB -1.230 40.912 42.059 0.138 0.000 0.892 366 L HN 0.876 nan 8.230 nan 0.000 0.436 367 D N -0.800 119.697 120.400 0.161 0.000 2.348 367 D HA 0.056 4.690 4.640 -0.010 0.000 0.216 367 D C 1.766 178.156 176.300 0.150 0.000 0.970 367 D CA 0.828 54.911 54.000 0.139 0.000 0.889 367 D CB -0.775 40.100 40.800 0.124 0.000 0.912 367 D HN 0.641 nan 8.370 nan 0.000 0.524 368 G N 0.418 109.343 108.800 0.210 0.000 2.168 368 G HA2 -0.376 3.578 3.960 -0.010 0.000 0.257 368 G HA3 -0.376 3.578 3.960 -0.010 0.000 0.257 368 G C 0.725 175.800 174.900 0.291 0.000 0.997 368 G CA 0.409 45.653 45.100 0.239 0.000 0.708 368 G HN 0.488 nan 8.290 nan 0.000 0.520 369 N N -0.359 118.485 118.700 0.241 0.000 2.353 369 N HA 0.154 4.888 4.740 -0.010 0.000 0.185 369 N C 0.172 175.773 175.510 0.152 0.000 1.098 369 N CA 0.846 54.008 53.050 0.187 0.000 0.872 369 N CB 0.245 38.810 38.487 0.129 0.000 0.970 369 N HN 0.402 nan 8.380 nan 0.000 0.467 370 S N -0.104 115.696 115.700 0.167 0.000 2.596 370 S HA 0.600 5.064 4.470 -0.010 0.000 0.270 370 S C -1.288 173.267 174.600 -0.074 0.000 1.155 370 S CA -0.814 57.312 58.200 -0.123 0.000 0.827 370 S CB 1.723 64.736 63.200 -0.313 0.000 1.130 370 S HN 0.260 nan 8.310 nan 0.000 0.467 371 F N -0.913 118.686 119.950 -0.585 0.000 2.668 371 F HA 0.801 5.323 4.527 -0.008 0.000 0.309 371 F C -2.055 173.428 175.800 -0.529 0.000 1.117 371 F CA -1.326 56.324 58.000 -0.582 0.000 0.951 371 F CB 0.657 38.998 39.000 -1.098 0.000 1.323 371 F HN 0.504 nan 8.300 nan 0.000 0.451 372 Y N 1.335 121.692 120.300 0.094 0.000 2.387 372 Y HA 0.677 5.221 4.550 -0.011 0.000 0.336 372 Y C -0.173 175.898 175.900 0.285 0.000 1.067 372 Y CA -0.725 57.449 58.100 0.122 0.000 1.114 372 Y CB 2.060 40.599 38.460 0.131 0.000 1.208 372 Y HN 0.737 nan 8.280 nan 0.000 0.458 373 K N 2.862 123.495 120.400 0.388 0.000 2.557 373 K HA 0.499 4.813 4.320 -0.010 0.000 0.257 373 K C -1.824 174.940 176.600 0.273 0.000 0.933 373 K CA -0.517 55.992 56.287 0.369 0.000 0.820 373 K CB 1.385 34.136 32.500 0.417 0.000 1.330 373 K HN 0.705 nan 8.250 nan 0.000 0.432 374 I N 6.379 127.086 120.570 0.227 0.000 2.452 374 I HA 0.250 4.414 4.170 -0.010 0.000 0.287 374 I C 0.221 176.445 176.117 0.178 0.000 1.079 374 I CA -0.284 61.122 61.300 0.176 0.000 1.387 374 I CB 0.231 38.317 38.000 0.143 0.000 1.404 374 I HN 0.507 nan 8.210 nan 0.000 0.522 375 I N 2.484 123.181 120.570 0.210 0.000 2.828 375 I HA 0.504 4.668 4.170 -0.010 0.000 0.302 375 I C -0.148 176.097 176.117 0.214 0.000 1.101 375 I CA -0.648 60.775 61.300 0.206 0.000 1.031 375 I CB 2.226 40.368 38.000 0.236 0.000 1.231 375 I HN 0.391 nan 8.210 nan 0.000 0.427 376 S N 3.319 119.083 115.700 0.106 0.000 2.533 376 S HA 0.191 4.655 4.470 -0.010 0.000 0.282 376 S C 0.114 174.749 174.600 0.059 0.000 1.304 376 S CA -0.427 57.782 58.200 0.015 0.000 1.063 376 S CB -0.286 62.865 63.200 -0.083 0.000 0.881 376 S HN 0.872 nan 8.310 nan 0.000 0.493 377 N N 3.645 122.285 118.700 -0.100 0.000 2.374 377 N HA 0.156 4.890 4.740 -0.010 0.000 0.284 377 N C 0.865 176.264 175.510 -0.184 0.000 1.280 377 N CA -0.267 52.579 53.050 -0.340 0.000 0.963 377 N CB -0.212 37.722 38.487 -0.922 0.000 1.141 377 N HN 0.608 nan 8.380 nan 0.000 0.565 378 E N -0.929 119.146 120.200 -0.209 0.000 2.077 378 E HA -0.197 4.147 4.350 -0.010 0.000 0.193 378 E C 0.945 177.477 176.600 -0.113 0.000 0.989 378 E CA 1.581 57.912 56.400 -0.115 0.000 0.800 378 E CB -0.211 29.430 29.700 -0.098 0.000 0.746 378 E HN 0.825 nan 8.360 nan 0.000 0.452 379 E N -1.626 118.504 120.200 -0.117 0.000 2.476 379 E HA 0.172 4.516 4.350 -0.010 0.000 0.191 379 E C 0.968 177.485 176.600 -0.138 0.000 1.064 379 E CA 0.442 56.808 56.400 -0.056 0.000 0.866 379 E CB 0.231 29.948 29.700 0.029 0.000 0.952 379 E HN 0.235 nan 8.360 nan 0.000 0.492 380 G N 0.217 108.886 108.800 -0.219 0.000 2.141 380 G HA2 -0.295 3.659 3.960 -0.010 0.000 0.242 380 G HA3 -0.295 3.659 3.960 -0.010 0.000 0.242 380 G C -0.463 174.105 174.900 -0.554 0.000 0.982 380 G CA 0.045 44.909 45.100 -0.393 0.000 0.662 380 G HN 0.319 nan 8.290 nan 0.000 0.527 381 Y N 0.014 120.200 120.300 -0.190 0.000 2.361 381 Y HA 0.658 5.203 4.550 -0.010 0.000 0.332 381 Y C 1.167 176.971 175.900 -0.160 0.000 1.101 381 Y CA -0.903 57.091 58.100 -0.177 0.000 1.137 381 Y CB 1.033 39.404 38.460 -0.148 0.000 1.207 381 Y HN 0.066 nan 8.280 nan 0.000 0.463 382 R N 3.480 123.907 120.500 -0.122 0.000 2.267 382 R HA 0.308 4.642 4.340 -0.010 0.000 0.319 382 R C -0.847 175.191 176.300 -0.438 0.000 1.067 382 R CA -0.100 55.906 56.100 -0.156 0.000 0.936 382 R CB 0.152 30.403 30.300 -0.082 0.000 1.006 382 R HN 0.675 nan 8.270 nan 0.000 0.452 383 H N 1.707 120.763 119.070 -0.024 0.000 2.977 383 H HA 0.313 4.864 4.556 -0.008 0.000 0.350 383 H C -0.283 175.108 175.328 0.105 0.000 1.238 383 H CA -0.903 55.114 56.048 -0.051 0.000 1.124 383 H CB 1.611 31.258 29.762 -0.192 0.000 1.866 383 H HN 0.315 nan 8.280 nan 0.000 0.550 384 I N 1.357 122.022 120.570 0.158 0.000 2.396 384 I HA 0.045 4.209 4.170 -0.010 0.000 0.289 384 I C 0.295 176.442 176.117 0.050 0.000 1.056 384 I CA 0.124 61.480 61.300 0.094 0.000 1.365 384 I CB 0.313 38.311 38.000 -0.003 0.000 1.407 384 I HN 0.137 nan 8.210 nan 0.000 0.509 385 c N 6.955 125.485 118.600 -0.118 0.000 2.351 385 c HA 0.356 4.920 4.570 -0.010 0.000 0.326 385 c C -0.278 173.483 174.090 -0.549 0.000 1.272 385 c CA -0.607 55.366 56.329 -0.593 0.000 1.650 385 c CB 0.646 42.502 42.510 -1.091 0.000 2.257 385 c HN 0.676 nan 8.230 nan 0.000 0.505 386 Y N 4.994 124.835 120.300 -0.765 0.000 2.367 386 Y HA 0.585 5.129 4.550 -0.010 0.000 0.342 386 Y C -0.815 174.525 175.900 -0.934 0.000 0.979 386 Y CA -0.223 57.392 58.100 -0.809 0.000 1.161 386 Y CB 0.148 38.226 38.460 -0.636 0.000 1.155 386 Y HN 0.642 nan 8.280 nan 0.000 0.503 387 F N 3.729 122.811 119.950 -1.446 0.000 2.458 387 F HA 0.458 4.980 4.527 -0.008 0.000 0.330 387 F C -0.154 174.858 175.800 -1.313 0.000 1.082 387 F CA -0.668 56.529 58.000 -1.337 0.000 0.995 387 F CB 1.601 39.448 39.000 -1.921 0.000 1.170 387 F HN 0.360 nan 8.300 nan 0.000 0.478 388 Q N 2.537 122.038 119.800 -0.499 0.000 2.293 388 Q HA 0.301 4.635 4.340 -0.010 0.000 0.261 388 Q C 0.608 176.601 176.000 -0.012 0.000 0.960 388 Q CA -0.822 54.812 55.803 -0.281 0.000 0.882 388 Q CB 2.174 30.835 28.738 -0.129 0.000 1.275 388 Q HN 0.534 nan 8.270 nan 0.000 0.445 389 I N 2.125 122.749 120.570 0.089 0.000 2.181 389 I HA -0.346 3.818 4.170 -0.010 0.000 0.247 389 I C 1.105 177.383 176.117 0.269 0.000 1.081 389 I CA 1.901 63.371 61.300 0.283 0.000 1.340 389 I CB -0.871 37.270 38.000 0.235 0.000 1.036 389 I HN 0.732 nan 8.210 nan 0.000 0.417 390 D N 0.242 120.722 120.400 0.133 0.000 2.123 390 D HA -0.086 4.548 4.640 -0.010 0.000 0.200 390 D C 1.161 177.484 176.300 0.038 0.000 0.976 390 D CA 0.814 54.855 54.000 0.068 0.000 0.831 390 D CB -0.133 40.693 40.800 0.043 0.000 0.974 390 D HN 0.496 nan 8.370 nan 0.000 0.469 391 K N -0.168 120.270 120.400 0.063 0.000 2.106 391 K HA 0.384 4.698 4.320 -0.010 0.000 0.246 391 K C 0.671 177.312 176.600 0.068 0.000 0.987 391 K CA -0.873 55.435 56.287 0.035 0.000 0.904 391 K CB 1.955 34.463 32.500 0.014 0.000 1.071 391 K HN -0.287 nan 8.250 nan 0.000 0.453 392 K N 0.651 121.063 120.400 0.020 0.000 1.991 392 K HA -0.016 4.298 4.320 -0.010 0.000 0.207 392 K C -0.250 176.409 176.600 0.099 0.000 1.045 392 K CA 1.384 57.692 56.287 0.034 0.000 0.937 392 K CB -0.032 32.467 32.500 -0.002 0.000 0.720 392 K HN 0.705 nan 8.250 nan 0.000 0.438 393 D N 0.558 120.967 120.400 0.015 0.000 2.256 393 D HA 0.088 4.722 4.640 -0.010 0.000 0.250 393 D C -0.260 175.919 176.300 -0.202 0.000 1.093 393 D CA -0.138 53.825 54.000 -0.063 0.000 0.882 393 D CB 1.100 41.860 40.800 -0.066 0.000 1.185 393 D HN 0.404 nan 8.370 nan 0.000 0.437 394 c N 0.493 118.823 118.600 -0.449 0.000 2.358 394 c HA 0.788 5.352 4.570 -0.010 0.000 0.354 394 c C 0.616 174.346 174.090 -0.600 0.000 1.183 394 c CA -0.859 54.993 56.329 -0.795 0.000 2.150 394 c CB 0.820 42.246 42.510 -1.807 0.000 2.361 394 c HN 0.628 nan 8.230 nan 0.000 0.535 395 T N 0.038 114.294 114.554 -0.497 0.000 2.767 395 T HA 0.563 4.907 4.350 -0.010 0.000 0.284 395 T C -0.693 173.735 174.700 -0.454 0.000 0.973 395 T CA -0.254 61.633 62.100 -0.354 0.000 0.996 395 T CB 0.141 68.887 68.868 -0.204 0.000 0.927 395 T HN 0.522 nan 8.240 nan 0.000 0.456 396 F N 3.350 123.129 119.950 -0.285 0.000 2.484 396 F HA 0.317 4.837 4.527 -0.012 0.000 0.360 396 F C 1.570 177.147 175.800 -0.372 0.000 1.101 396 F CA -0.876 56.955 58.000 -0.281 0.000 1.251 396 F CB 0.690 39.552 39.000 -0.230 0.000 1.132 396 F HN 0.678 nan 8.300 nan 0.000 0.570 397 I N -1.260 119.203 120.570 -0.177 0.000 4.154 397 I HA 0.272 4.436 4.170 -0.010 0.000 0.334 397 I C -0.002 176.091 176.117 -0.040 0.000 1.371 397 I CA -0.046 61.017 61.300 -0.396 0.000 1.110 397 I CB 0.161 37.837 38.000 -0.539 0.000 1.085 397 I HN 0.472 nan 8.210 nan 0.000 0.398 398 T N 0.102 114.643 114.554 -0.022 0.000 2.906 398 T HA 0.694 5.038 4.350 -0.010 0.000 0.295 398 T C -0.689 173.718 174.700 -0.488 0.000 1.061 398 T CA -0.679 61.395 62.100 -0.043 0.000 1.000 398 T CB 2.758 71.681 68.868 0.092 0.000 1.103 398 T HN 0.443 nan 8.240 nan 0.000 0.486 399 K N 0.024 119.980 120.400 -0.739 0.000 2.548 399 K HA 0.837 5.151 4.320 -0.010 0.000 0.282 399 K C -0.368 175.599 176.600 -1.056 0.000 1.006 399 K CA -0.967 54.553 56.287 -1.278 0.000 0.892 399 K CB 1.528 33.642 32.500 -0.643 0.000 1.499 399 K HN 1.578 nan 8.250 nan 0.000 0.433 400 G N -0.114 108.104 108.800 -0.971 0.000 2.355 400 G HA2 0.021 3.975 3.960 -0.010 0.000 0.619 400 G HA3 0.021 3.975 3.960 -0.010 0.000 0.619 400 G C -0.697 173.633 174.900 -0.950 0.000 1.337 400 G CA -0.376 44.298 45.100 -0.710 0.000 0.993 400 G HN 0.971 nan 8.290 nan 0.000 0.599 401 T N -0.423 113.709 114.554 -0.702 0.000 4.098 401 T HA 0.561 4.905 4.350 -0.010 0.000 0.291 401 T C 0.213 174.697 174.700 -0.359 0.000 1.440 401 T CA 0.586 62.114 62.100 -0.953 0.000 1.164 401 T CB -0.933 67.611 68.868 -0.540 0.000 1.313 401 T HN 1.552 nan 8.240 nan 0.000 0.951 402 W N -0.382 120.726 121.300 -0.320 0.000 2.937 402 W HA 0.620 5.273 4.660 -0.011 0.000 0.360 402 W C -1.339 175.152 176.519 -0.047 0.000 1.215 402 W CA -0.930 56.367 57.345 -0.080 0.000 1.183 402 W CB 0.605 30.026 29.460 -0.064 0.000 1.458 402 W HN 0.155 nan 8.180 nan 0.000 0.574 403 E N 0.640 121.010 120.200 0.283 0.000 2.299 403 E HA 0.498 4.842 4.350 -0.010 0.000 0.265 403 E C -1.163 175.521 176.600 0.140 0.000 0.911 403 E CA -1.197 55.202 56.400 -0.002 0.000 0.789 403 E CB 3.321 33.086 29.700 0.109 0.000 1.246 403 E HN 0.165 nan 8.360 nan 0.000 0.427 404 V N 3.551 123.419 119.914 -0.075 0.000 2.406 404 V HA 0.055 4.169 4.120 -0.010 0.000 0.272 404 V C 1.253 177.436 176.094 0.148 0.000 1.043 404 V CA -0.202 62.148 62.300 0.083 0.000 0.915 404 V CB 0.735 32.508 31.823 -0.082 0.000 0.988 404 V HN 0.666 nan 8.190 nan 0.000 0.466 405 I N 3.167 123.857 120.570 0.200 0.000 2.277 405 I HA 0.203 4.367 4.170 -0.010 0.000 0.243 405 I C 1.139 177.380 176.117 0.207 0.000 1.094 405 I CA 1.269 62.682 61.300 0.187 0.000 1.393 405 I CB -0.688 37.357 38.000 0.075 0.000 1.078 405 I HN 0.742 nan 8.210 nan 0.000 0.417 406 G N 0.647 109.573 108.800 0.210 0.000 2.667 406 G HA2 0.541 4.495 3.960 -0.010 0.000 0.294 406 G HA3 0.541 4.495 3.960 -0.010 0.000 0.294 406 G C -1.248 173.770 174.900 0.197 0.000 1.467 406 G CA -0.552 44.673 45.100 0.207 0.000 0.852 406 G HN -0.023 nan 8.290 nan 0.000 0.521 407 I N 1.774 122.411 120.570 0.110 0.000 2.337 407 I HA 0.223 4.387 4.170 -0.010 0.000 0.291 407 I C 0.765 176.850 176.117 -0.053 0.000 1.046 407 I CA -0.488 60.782 61.300 -0.050 0.000 1.324 407 I CB 1.632 39.382 38.000 -0.417 0.000 1.409 407 I HN 0.483 nan 8.210 nan 0.000 0.494 408 E N 5.144 125.382 120.200 0.063 0.000 2.307 408 E HA 0.319 4.663 4.350 -0.010 0.000 0.195 408 E C 0.156 176.767 176.600 0.018 0.000 0.975 408 E CA 0.173 56.660 56.400 0.145 0.000 0.878 408 E CB 0.762 30.636 29.700 0.291 0.000 0.845 408 E HN 0.671 nan 8.360 nan 0.000 0.488 409 A N 0.638 123.373 122.820 -0.142 0.000 2.582 409 A HA 0.515 4.829 4.320 -0.010 0.000 0.297 409 A C -1.739 175.778 177.584 -0.113 0.000 1.059 409 A CA -0.619 51.248 52.037 -0.283 0.000 0.705 409 A CB 0.999 19.384 19.000 -1.026 0.000 1.279 409 A HN 0.080 nan 8.150 nan 0.000 0.404 410 L N 3.266 124.464 121.223 -0.042 0.000 2.343 410 L HA 0.650 4.984 4.340 -0.010 0.000 0.278 410 L C 0.626 177.524 176.870 0.047 0.000 0.996 410 L CA -0.054 54.790 54.840 0.008 0.000 0.831 410 L CB 1.719 43.821 42.059 0.072 0.000 1.232 410 L HN 1.156 nan 8.230 nan 0.000 0.413 411 T N -0.113 114.484 114.554 0.073 0.000 2.893 411 T HA 0.217 4.561 4.350 -0.010 0.000 0.281 411 T C 1.223 175.970 174.700 0.079 0.000 1.027 411 T CA 0.199 62.352 62.100 0.089 0.000 0.953 411 T CB 1.303 70.257 68.868 0.143 0.000 1.434 411 T HN 0.594 nan 8.240 nan 0.000 0.597 412 S N -0.847 114.895 115.700 0.070 0.000 2.501 412 S HA 0.082 4.546 4.470 -0.010 0.000 0.220 412 S C 0.722 175.308 174.600 -0.023 0.000 0.997 412 S CA 0.306 58.535 58.200 0.048 0.000 0.919 412 S CB -0.286 62.946 63.200 0.052 0.000 0.778 412 S HN 0.696 nan 8.310 nan 0.000 0.523 413 D N -0.589 119.769 120.400 -0.070 0.000 2.454 413 D HA 0.269 4.903 4.640 -0.010 0.000 0.219 413 D C -0.694 175.228 176.300 -0.630 0.000 1.081 413 D CA 0.448 54.249 54.000 -0.331 0.000 0.867 413 D CB 0.332 40.925 40.800 -0.345 0.000 1.054 413 D HN 0.442 nan 8.370 nan 0.000 0.500 414 Y N 0.208 120.448 120.300 -0.100 0.000 2.492 414 Y HA 0.386 4.930 4.550 -0.010 0.000 0.346 414 Y C -0.656 175.074 175.900 -0.284 0.000 0.997 414 Y CA -1.169 56.784 58.100 -0.244 0.000 1.025 414 Y CB 2.383 40.602 38.460 -0.402 0.000 1.263 414 Y HN -0.249 nan 8.280 nan 0.000 0.454 415 L N 4.164 125.273 121.223 -0.190 0.000 2.287 415 L HA 0.491 4.825 4.340 -0.010 0.000 0.287 415 L C -1.697 175.040 176.870 -0.222 0.000 1.022 415 L CA -0.983 53.726 54.840 -0.218 0.000 0.814 415 L CB 0.178 42.048 42.059 -0.316 0.000 1.217 415 L HN 0.637 nan 8.230 nan 0.000 0.420 416 Y N 6.178 126.412 120.300 -0.110 0.000 2.330 416 Y HA 0.511 5.056 4.550 -0.009 0.000 0.336 416 Y C -0.161 175.755 175.900 0.027 0.000 1.036 416 Y CA -0.302 57.734 58.100 -0.106 0.000 1.125 416 Y CB 1.321 39.621 38.460 -0.266 0.000 1.194 416 Y HN 0.589 nan 8.280 nan 0.000 0.469 417 Y N 0.466 120.838 120.300 0.120 0.000 2.615 417 Y HA 0.814 5.358 4.550 -0.010 0.000 0.341 417 Y C -1.834 174.162 175.900 0.161 0.000 1.089 417 Y CA -2.018 56.149 58.100 0.111 0.000 1.049 417 Y CB 1.250 39.758 38.460 0.079 0.000 1.296 417 Y HN 0.430 nan 8.280 nan 0.000 0.470 418 I N 3.000 123.754 120.570 0.308 0.000 2.433 418 I HA 0.595 4.759 4.170 -0.010 0.000 0.292 418 I C -0.565 175.756 176.117 0.339 0.000 1.001 418 I CA -0.422 60.998 61.300 0.201 0.000 1.119 418 I CB 1.956 40.014 38.000 0.098 0.000 1.289 418 I HN 0.900 nan 8.210 nan 0.000 0.438 419 S N 3.572 119.462 115.700 0.316 0.000 2.697 419 S HA 0.452 4.917 4.470 -0.010 0.000 0.289 419 S C -0.539 174.137 174.600 0.128 0.000 1.149 419 S CA -0.853 57.511 58.200 0.273 0.000 0.850 419 S CB 1.732 65.143 63.200 0.352 0.000 1.151 419 S HN 0.628 nan 8.310 nan 0.000 0.491 420 N N -0.463 118.300 118.700 0.105 0.000 2.546 420 N HA 0.171 4.905 4.740 -0.010 0.000 0.286 420 N C 0.353 175.846 175.510 -0.028 0.000 1.259 420 N CA -0.455 52.610 53.050 0.025 0.000 0.939 420 N CB 0.392 38.880 38.487 0.001 0.000 1.243 420 N HN 0.813 nan 8.380 nan 0.000 0.511 421 E N -0.095 119.950 120.200 -0.259 0.000 2.112 421 E HA -0.116 4.228 4.350 -0.010 0.000 0.190 421 E C -0.409 176.026 176.600 -0.274 0.000 0.979 421 E CA -0.027 55.954 56.400 -0.698 0.000 0.814 421 E CB -0.002 28.669 29.700 -1.716 0.000 0.762 421 E HN 0.525 nan 8.360 nan 0.000 0.460 422 Y N 2.846 123.039 120.300 -0.179 0.000 2.805 422 Y HA -0.163 4.380 4.550 -0.011 0.000 0.331 422 Y C 0.395 176.251 175.900 -0.074 0.000 1.241 422 Y CA 0.761 58.809 58.100 -0.087 0.000 1.546 422 Y CB 0.247 38.685 38.460 -0.036 0.000 1.248 422 Y HN 0.089 nan 8.280 nan 0.000 0.559 423 K N 3.532 123.602 120.400 -0.550 0.000 3.034 423 K HA -0.283 4.031 4.320 -0.010 0.000 0.255 423 K C 0.551 177.054 176.600 -0.161 0.000 0.903 423 K CA 0.774 56.823 56.287 -0.397 0.000 0.667 423 K CB -2.601 29.581 32.500 -0.530 0.000 1.335 423 K HN 1.366 nan 8.250 nan 0.000 0.479 424 G N 0.257 108.990 108.800 -0.112 0.000 2.249 424 G HA2 -0.325 3.629 3.960 -0.010 0.000 0.273 424 G HA3 -0.325 3.629 3.960 -0.010 0.000 0.273 424 G C -0.015 174.852 174.900 -0.056 0.000 1.036 424 G CA 0.672 45.754 45.100 -0.030 0.000 0.824 424 G HN 0.507 nan 8.290 nan 0.000 0.504 425 M N -0.001 119.501 119.600 -0.163 0.000 2.055 425 M HA 0.277 4.751 4.480 -0.010 0.000 0.347 425 M C -1.450 174.625 176.300 -0.375 0.000 1.123 425 M CA -2.056 52.998 55.300 -0.409 0.000 1.035 425 M CB 1.863 34.277 32.600 -0.310 0.000 1.484 425 M HN -0.135 nan 8.290 nan 0.000 0.428 426 P HA -0.026 nan 4.420 nan 0.000 0.226 426 P C 1.124 178.293 177.300 -0.218 0.000 1.153 426 P CA 0.812 63.758 63.100 -0.257 0.000 0.777 426 P CB 0.237 31.804 31.700 -0.221 0.000 0.794 427 G N -0.948 107.659 108.800 -0.320 0.000 3.088 427 G HA2 0.242 4.196 3.960 -0.010 0.000 0.217 427 G HA3 0.242 4.196 3.960 -0.010 0.000 0.217 427 G C 0.672 175.558 174.900 -0.024 0.000 1.159 427 G CA 0.007 45.035 45.100 -0.121 0.000 0.760 427 G HN 0.359 nan 8.290 nan 0.000 0.550 428 G N -0.023 108.715 108.800 -0.103 0.000 2.451 428 G HA2 0.601 4.555 3.960 -0.010 0.000 0.303 428 G HA3 0.601 4.555 3.960 -0.010 0.000 0.303 428 G C -0.680 174.109 174.900 -0.186 0.000 1.166 428 G CA -0.658 44.408 45.100 -0.057 0.000 0.884 428 G HN 0.079 nan 8.290 nan 0.000 0.514 429 R N 0.670 121.017 120.500 -0.256 0.000 2.574 429 R HA 0.406 4.740 4.340 -0.010 0.000 0.288 429 R C -1.178 175.071 176.300 -0.084 0.000 1.004 429 R CA -0.831 55.094 56.100 -0.292 0.000 0.895 429 R CB 2.004 31.894 30.300 -0.684 0.000 1.191 429 R HN 0.704 nan 8.270 nan 0.000 0.444 430 N N 0.370 119.020 118.700 -0.083 0.000 2.416 430 N HA 0.423 5.157 4.740 -0.010 0.000 0.276 430 N C -1.559 173.727 175.510 -0.373 0.000 1.261 430 N CA -0.813 52.068 53.050 -0.282 0.000 0.790 430 N CB 1.868 40.078 38.487 -0.462 0.000 1.554 430 N HN 0.230 nan 8.380 nan 0.000 0.481 431 L N 1.866 122.711 121.223 -0.630 0.000 2.292 431 L HA 0.531 4.865 4.340 -0.010 0.000 0.284 431 L C -1.599 174.780 176.870 -0.819 0.000 1.065 431 L CA -0.037 54.481 54.840 -0.537 0.000 0.806 431 L CB -0.083 41.703 42.059 -0.456 0.000 1.175 431 L HN 0.515 nan 8.230 nan 0.000 0.431 432 Y N 3.632 123.582 120.300 -0.583 0.000 2.570 432 Y HA 0.568 5.112 4.550 -0.009 0.000 0.345 432 Y C -0.384 175.172 175.900 -0.572 0.000 1.014 432 Y CA -0.851 56.844 58.100 -0.676 0.000 1.063 432 Y CB 1.758 39.566 38.460 -1.086 0.000 1.272 432 Y HN 0.462 nan 8.280 nan 0.000 0.477 433 K N 3.330 123.575 120.400 -0.258 0.000 2.613 433 K HA 0.485 4.799 4.320 -0.010 0.000 0.248 433 K C -1.857 174.678 176.600 -0.108 0.000 0.959 433 K CA -0.283 55.780 56.287 -0.374 0.000 0.855 433 K CB 0.823 32.995 32.500 -0.548 0.000 1.143 433 K HN 0.770 nan 8.250 nan 0.000 0.437 434 I N 3.656 124.215 120.570 -0.019 0.000 2.371 434 I HA 0.088 4.252 4.170 -0.010 0.000 0.290 434 I C 0.556 176.706 176.117 0.054 0.000 1.028 434 I CA -0.487 60.864 61.300 0.084 0.000 1.345 434 I CB 1.451 39.521 38.000 0.118 0.000 1.407 434 I HN 0.564 nan 8.210 nan 0.000 0.501 435 Q N 5.172 125.004 119.800 0.053 0.000 2.296 435 Q HA 0.072 4.406 4.340 -0.010 0.000 0.263 435 Q C 0.469 176.383 176.000 -0.143 0.000 1.026 435 Q CA -0.536 55.199 55.803 -0.113 0.000 0.912 435 Q CB 1.012 29.722 28.738 -0.048 0.000 1.198 435 Q HN 0.618 nan 8.270 nan 0.000 0.407 436 L N 3.354 124.422 121.223 -0.259 0.000 2.191 436 L HA -0.173 4.161 4.340 -0.010 0.000 0.212 436 L C 2.278 179.093 176.870 -0.091 0.000 1.103 436 L CA 1.930 56.684 54.840 -0.143 0.000 0.769 436 L CB -0.522 41.444 42.059 -0.156 0.000 0.908 436 L HN 0.762 nan 8.230 nan 0.000 0.438 437 S N -2.710 112.915 115.700 -0.126 0.000 2.527 437 S HA 0.000 4.464 4.470 -0.010 0.000 0.222 437 S C 0.754 175.312 174.600 -0.070 0.000 0.985 437 S CA 0.324 58.472 58.200 -0.087 0.000 0.921 437 S CB 0.033 63.175 63.200 -0.096 0.000 0.772 437 S HN 0.392 nan 8.310 nan 0.000 0.529 438 D N 0.576 120.933 120.400 -0.072 0.000 2.668 438 D HA 0.133 4.767 4.640 -0.010 0.000 0.247 438 D C 0.368 176.605 176.300 -0.104 0.000 1.268 438 D CA -0.695 53.236 54.000 -0.114 0.000 0.842 438 D CB 0.025 40.757 40.800 -0.112 0.000 1.399 438 D HN 0.303 nan 8.370 nan 0.000 0.530 439 Y N 0.814 121.077 120.300 -0.061 0.000 2.446 439 Y HA -0.201 4.344 4.550 -0.009 0.000 0.287 439 Y C 1.912 177.808 175.900 -0.008 0.000 1.159 439 Y CA 1.668 59.746 58.100 -0.038 0.000 1.297 439 Y CB -0.893 37.543 38.460 -0.041 0.000 0.974 439 Y HN 0.157 nan 8.280 nan 0.000 0.557 440 T N -3.058 111.312 114.554 -0.307 0.000 3.007 440 T HA -0.029 4.315 4.350 -0.010 0.000 0.270 440 T C 0.603 175.278 174.700 -0.041 0.000 1.107 440 T CA 0.452 62.452 62.100 -0.167 0.000 1.118 440 T CB -0.213 68.505 68.868 -0.251 0.000 0.889 440 T HN -0.004 nan 8.240 nan 0.000 0.506 441 K N 2.055 122.436 120.400 -0.033 0.000 2.273 441 K HA 0.544 4.858 4.320 -0.010 0.000 0.287 441 K C -1.195 175.435 176.600 0.050 0.000 1.089 441 K CA -0.503 55.786 56.287 0.004 0.000 0.909 441 K CB 0.897 33.391 32.500 -0.010 0.000 1.123 441 K HN 0.163 nan 8.250 nan 0.000 0.473 442 V N 2.869 122.821 119.914 0.064 0.000 2.531 442 V HA 0.422 4.536 4.120 -0.010 0.000 0.301 442 V C -0.388 175.748 176.094 0.069 0.000 1.034 442 V CA -0.957 61.399 62.300 0.093 0.000 0.865 442 V CB 2.213 34.123 31.823 0.145 0.000 0.995 442 V HN 0.684 nan 8.190 nan 0.000 0.424 443 T N 2.546 117.119 114.554 0.030 0.000 2.794 443 T HA 0.266 4.610 4.350 -0.010 0.000 0.280 443 T C -0.218 174.431 174.700 -0.085 0.000 0.987 443 T CA -0.302 61.781 62.100 -0.028 0.000 0.993 443 T CB 1.291 70.115 68.868 -0.074 0.000 0.939 443 T HN 0.768 nan 8.240 nan 0.000 0.449 444 C N 5.113 124.324 119.300 -0.147 0.000 2.464 444 C HA 0.359 4.813 4.460 -0.010 0.000 0.370 444 C C 1.768 176.476 174.990 -0.471 0.000 1.267 444 C CA -0.544 58.178 59.018 -0.493 0.000 1.781 444 C CB -1.937 25.483 27.740 -0.532 0.000 2.431 444 C HN 0.994 nan 8.230 nan 0.000 0.556 445 L N 4.416 125.304 121.223 -0.558 0.000 2.209 445 L HA 0.035 4.369 4.340 -0.010 0.000 0.207 445 L C 2.366 178.937 176.870 -0.498 0.000 1.094 445 L CA 1.319 55.907 54.840 -0.419 0.000 0.790 445 L CB -0.239 41.607 42.059 -0.356 0.000 0.932 445 L HN 0.884 nan 8.230 nan 0.000 0.447 446 S N -2.779 112.487 115.700 -0.724 0.000 2.524 446 S HA -0.035 4.429 4.470 -0.010 0.000 0.222 446 S C 1.991 176.150 174.600 -0.736 0.000 1.040 446 S CA -0.029 57.617 58.200 -0.923 0.000 0.915 446 S CB -0.401 61.799 63.200 -1.668 0.000 0.831 446 S HN 0.296 nan 8.310 nan 0.000 0.492 447 C N 2.312 121.170 119.300 -0.736 0.000 2.349 447 C HA -0.113 4.341 4.460 -0.010 0.000 0.274 447 C C 2.626 177.326 174.990 -0.483 0.000 1.178 447 C CA 1.751 60.289 59.018 -0.801 0.000 1.769 447 C CB -1.223 25.883 27.740 -1.057 0.000 2.047 447 C HN 0.607 nan 8.230 nan 0.000 0.448 448 E N 0.081 120.080 120.200 -0.336 0.000 2.489 448 E HA 0.122 4.466 4.350 -0.010 0.000 0.193 448 E C 1.940 178.487 176.600 -0.087 0.000 1.057 448 E CA 0.007 56.312 56.400 -0.159 0.000 0.866 448 E CB -0.260 29.369 29.700 -0.117 0.000 0.916 448 E HN 0.576 nan 8.360 nan 0.000 0.500 449 L N 0.175 121.340 121.223 -0.097 0.000 2.013 449 L HA -0.135 4.199 4.340 -0.010 0.000 0.212 449 L C 0.935 177.818 176.870 0.023 0.000 1.073 449 L CA 0.988 55.816 54.840 -0.019 0.000 0.753 449 L CB -0.060 42.008 42.059 0.013 0.000 0.890 449 L HN 0.130 nan 8.230 nan 0.000 0.432 450 N N -1.677 117.050 118.700 0.047 0.000 2.884 450 N HA 0.084 4.818 4.740 -0.010 0.000 0.211 450 N C -2.168 173.373 175.510 0.050 0.000 1.442 450 N CA -0.672 52.401 53.050 0.038 0.000 0.757 450 N CB 0.848 39.352 38.487 0.027 0.000 1.461 450 N HN -0.156 nan 8.380 nan 0.000 0.557 451 P HA -0.130 nan 4.420 nan 0.000 0.222 451 P C 1.077 178.425 177.300 0.080 0.000 1.147 451 P CA 0.924 64.080 63.100 0.093 0.000 0.790 451 P CB 0.822 32.596 31.700 0.122 0.000 0.780 452 E N 0.990 121.220 120.200 0.049 0.000 2.017 452 E HA -0.206 4.138 4.350 -0.010 0.000 0.193 452 E C 2.188 178.799 176.600 0.018 0.000 0.997 452 E CA 1.284 57.704 56.400 0.033 0.000 0.804 452 E CB -0.013 29.698 29.700 0.019 0.000 0.757 452 E HN 0.173 nan 8.360 nan 0.000 0.448 453 R N -1.038 119.461 120.500 -0.002 0.000 2.290 453 R HA 0.194 4.528 4.340 -0.010 0.000 0.197 453 R C -0.152 176.115 176.300 -0.056 0.000 0.913 453 R CA 0.238 56.317 56.100 -0.035 0.000 1.040 453 R CB 0.119 30.382 30.300 -0.062 0.000 0.992 453 R HN -0.033 nan 8.270 nan 0.000 0.500 454 c N 1.146 119.726 118.600 -0.035 0.000 2.344 454 c HA 0.429 4.993 4.570 -0.010 0.000 0.326 454 c C -0.126 173.971 174.090 0.012 0.000 1.201 454 c CA -0.523 55.743 56.329 -0.105 0.000 1.410 454 c CB 1.302 43.720 42.510 -0.154 0.000 2.070 454 c HN 0.611 nan 8.230 nan 0.000 0.445 455 Q N 0.557 120.357 119.800 -0.000 0.000 2.081 455 Q HA 0.210 4.544 4.340 -0.010 0.000 0.220 455 Q C -0.972 175.107 176.000 0.132 0.000 0.775 455 Q CA 0.101 55.979 55.803 0.125 0.000 0.983 455 Q CB 1.238 30.056 28.738 0.135 0.000 1.188 455 Q HN 0.787 nan 8.270 nan 0.000 0.458 456 Y N 0.443 120.657 120.300 -0.143 0.000 2.363 456 Y HA 0.413 4.957 4.550 -0.009 0.000 0.325 456 Y C -1.512 174.238 175.900 -0.250 0.000 0.984 456 Y CA -0.976 57.059 58.100 -0.108 0.000 1.248 456 Y CB 0.749 39.152 38.460 -0.095 0.000 1.116 456 Y HN -0.085 nan 8.280 nan 0.000 0.470 457 Y N 2.272 122.501 120.300 -0.118 0.000 2.549 457 Y HA 0.683 5.227 4.550 -0.009 0.000 0.339 457 Y C 0.140 175.987 175.900 -0.088 0.000 1.053 457 Y CA -0.677 57.367 58.100 -0.094 0.000 1.105 457 Y CB 2.308 40.674 38.460 -0.156 0.000 1.258 457 Y HN 0.531 nan 8.280 nan 0.000 0.478 458 S N 0.384 116.157 115.700 0.122 0.000 2.661 458 S HA 0.865 5.329 4.470 -0.010 0.000 0.285 458 S C -1.561 173.076 174.600 0.060 0.000 1.138 458 S CA -0.800 57.451 58.200 0.085 0.000 0.855 458 S CB 1.894 65.155 63.200 0.101 0.000 1.136 458 S HN 0.562 nan 8.310 nan 0.000 0.484 459 V N -0.176 119.763 119.914 0.043 0.000 3.160 459 V HA 0.907 5.021 4.120 -0.010 0.000 0.310 459 V C -1.258 174.842 176.094 0.011 0.000 1.181 459 V CA -0.364 61.912 62.300 -0.040 0.000 1.047 459 V CB 2.376 34.086 31.823 -0.189 0.000 1.068 459 V HN 1.122 nan 8.190 nan 0.000 0.441 460 S N 2.524 118.188 115.700 -0.061 0.000 2.706 460 S HA 0.617 5.081 4.470 -0.010 0.000 0.270 460 S C -1.413 173.262 174.600 0.124 0.000 1.163 460 S CA -0.365 57.923 58.200 0.148 0.000 1.042 460 S CB 0.502 63.853 63.200 0.253 0.000 1.079 460 S HN 0.480 nan 8.310 nan 0.000 0.474 461 F N 2.980 123.009 119.950 0.132 0.000 2.397 461 F HA 0.470 4.991 4.527 -0.010 0.000 0.331 461 F C 1.347 176.767 175.800 -0.634 0.000 1.090 461 F CA -0.353 57.557 58.000 -0.150 0.000 1.065 461 F CB 1.482 40.357 39.000 -0.208 0.000 1.184 461 F HN 0.573 nan 8.300 nan 0.000 0.499 462 S N 1.625 116.747 115.700 -0.963 0.000 2.596 462 S HA 0.107 4.571 4.470 -0.010 0.000 0.260 462 S C 1.264 175.608 174.600 -0.427 0.000 1.336 462 S CA -0.692 56.710 58.200 -1.330 0.000 0.993 462 S CB 0.841 63.312 63.200 -1.215 0.000 0.923 462 S HN 0.726 nan 8.310 nan 0.000 0.567 463 K N 0.850 121.116 120.400 -0.223 0.000 2.049 463 K HA -0.219 4.095 4.320 -0.010 0.000 0.219 463 K C 1.459 178.032 176.600 -0.045 0.000 1.056 463 K CA 2.294 58.557 56.287 -0.040 0.000 0.946 463 K CB -0.255 32.264 32.500 0.032 0.000 0.723 463 K HN 0.785 nan 8.250 nan 0.000 0.453 464 E N -1.058 119.096 120.200 -0.078 0.000 2.511 464 E HA 0.308 4.652 4.350 -0.010 0.000 0.214 464 E C -0.525 176.003 176.600 -0.119 0.000 1.062 464 E CA 0.460 56.821 56.400 -0.065 0.000 1.213 464 E CB -0.237 29.448 29.700 -0.025 0.000 1.214 464 E HN 0.341 nan 8.360 nan 0.000 0.441 465 A N 0.687 123.414 122.820 -0.155 0.000 2.829 465 A HA -0.366 3.948 4.320 -0.010 0.000 0.267 465 A C 1.639 179.163 177.584 -0.099 0.000 1.370 465 A CA 1.625 53.572 52.037 -0.150 0.000 0.900 465 A CB -2.149 16.574 19.000 -0.462 0.000 1.044 465 A HN 0.434 nan 8.150 nan 0.000 0.691 466 K N -1.836 118.439 120.400 -0.210 0.000 2.097 466 K HA -0.038 4.276 4.320 -0.010 0.000 0.206 466 K C 0.351 176.625 176.600 -0.544 0.000 1.049 466 K CA 1.724 57.781 56.287 -0.384 0.000 0.933 466 K CB -0.066 32.131 32.500 -0.505 0.000 0.717 466 K HN 0.699 nan 8.250 nan 0.000 0.442 467 Y N -1.412 118.804 120.300 -0.139 0.000 2.633 467 Y HA 0.337 4.881 4.550 -0.009 0.000 0.339 467 Y C -0.863 175.051 175.900 0.023 0.000 1.045 467 Y CA -1.319 56.745 58.100 -0.059 0.000 1.098 467 Y CB 1.748 40.198 38.460 -0.018 0.000 1.296 467 Y HN -0.020 nan 8.280 nan 0.000 0.494 468 Y N -1.190 119.174 120.300 0.107 0.000 2.521 468 Y HA 0.438 4.982 4.550 -0.010 0.000 0.332 468 Y C -1.429 174.505 175.900 0.057 0.000 1.121 468 Y CA -1.478 56.542 58.100 -0.134 0.000 1.037 468 Y CB 1.270 39.223 38.460 -0.846 0.000 1.330 468 Y HN 0.583 nan 8.280 nan 0.000 0.452 469 Q N 3.822 123.718 119.800 0.159 0.000 2.290 469 Q HA 0.585 4.919 4.340 -0.010 0.000 0.259 469 Q C -1.759 174.291 176.000 0.084 0.000 0.941 469 Q CA -0.749 55.099 55.803 0.075 0.000 0.912 469 Q CB 1.273 30.008 28.738 -0.005 0.000 1.244 469 Q HN 0.950 nan 8.270 nan 0.000 0.441 470 L N 4.302 125.593 121.223 0.114 0.000 2.282 470 L HA 0.523 4.857 4.340 -0.010 0.000 0.288 470 L C 0.005 176.870 176.870 -0.009 0.000 1.033 470 L CA -0.498 54.405 54.840 0.106 0.000 0.807 470 L CB 1.424 43.590 42.059 0.179 0.000 1.209 470 L HN 0.549 nan 8.230 nan 0.000 0.423 471 R N 3.240 123.682 120.500 -0.096 0.000 2.255 471 R HA 0.370 4.704 4.340 -0.010 0.000 0.326 471 R C -1.022 175.054 176.300 -0.374 0.000 0.986 471 R CA -0.459 55.386 56.100 -0.426 0.000 0.847 471 R CB 1.317 31.379 30.300 -0.397 0.000 1.111 471 R HN 0.729 nan 8.270 nan 0.000 0.452 472 c N 3.894 122.174 118.600 -0.533 0.000 2.255 472 c HA 0.390 4.954 4.570 -0.010 0.000 0.326 472 c C 0.902 174.767 174.090 -0.376 0.000 1.258 472 c CA -0.400 55.563 56.329 -0.611 0.000 1.676 472 c CB 0.732 42.832 42.510 -0.683 0.000 2.314 472 c HN 0.979 nan 8.230 nan 0.000 0.509 473 S N 3.275 118.844 115.700 -0.219 0.000 2.575 473 S HA 0.492 4.956 4.470 -0.010 0.000 0.215 473 S C 0.751 175.304 174.600 -0.078 0.000 0.966 473 S CA 0.589 58.717 58.200 -0.120 0.000 0.911 473 S CB 0.058 63.185 63.200 -0.120 0.000 0.780 473 S HN 1.394 nan 8.310 nan 0.000 0.514 474 G N 1.395 110.144 108.800 -0.086 0.000 2.341 474 G HA2 0.182 4.136 3.960 -0.010 0.000 0.293 474 G HA3 0.182 4.136 3.960 -0.010 0.000 0.293 474 G C -2.928 171.963 174.900 -0.014 0.000 1.298 474 G CA -0.584 44.504 45.100 -0.021 0.000 0.868 474 G HN -0.155 nan 8.290 nan 0.000 0.540 475 P HA 0.125 nan 4.420 nan 0.000 0.225 475 P C 1.451 178.791 177.300 0.068 0.000 1.156 475 P CA 1.550 64.687 63.100 0.063 0.000 0.787 475 P CB 0.100 31.834 31.700 0.056 0.000 0.802 476 G N 0.540 109.317 108.800 -0.039 0.000 2.525 476 G HA2 0.308 4.262 3.960 -0.010 0.000 0.276 476 G HA3 0.308 4.262 3.960 -0.010 0.000 0.276 476 G C -0.454 174.221 174.900 -0.374 0.000 1.388 476 G CA -0.464 44.541 45.100 -0.157 0.000 1.050 476 G HN 0.009 nan 8.290 nan 0.000 0.520 477 L N 1.326 122.249 121.223 -0.501 0.000 2.456 477 L HA 0.240 4.574 4.340 -0.010 0.000 0.272 477 L C -1.753 174.946 176.870 -0.287 0.000 1.189 477 L CA -0.751 53.729 54.840 -0.601 0.000 0.846 477 L CB 0.433 42.226 42.059 -0.444 0.000 1.111 477 L HN 0.228 nan 8.230 nan 0.000 0.475 478 P HA 0.104 nan 4.420 nan 0.000 0.266 478 P C -1.055 176.231 177.300 -0.023 0.000 1.193 478 P CA -0.128 62.927 63.100 -0.076 0.000 0.770 478 P CB 0.564 32.322 31.700 0.096 0.000 0.836 479 L N 4.179 125.328 121.223 -0.124 0.000 2.439 479 L HA 0.444 4.778 4.340 -0.010 0.000 0.270 479 L C -1.834 174.954 176.870 -0.137 0.000 0.972 479 L CA -0.662 54.148 54.840 -0.051 0.000 0.836 479 L CB 0.963 42.965 42.059 -0.094 0.000 1.255 479 L HN 0.267 nan 8.230 nan 0.000 0.404 480 Y N 3.311 123.540 120.300 -0.118 0.000 2.334 480 Y HA 0.646 5.190 4.550 -0.010 0.000 0.336 480 Y C 0.534 176.294 175.900 -0.234 0.000 0.960 480 Y CA -0.579 57.425 58.100 -0.160 0.000 1.164 480 Y CB 1.875 40.212 38.460 -0.204 0.000 1.155 480 Y HN 0.669 nan 8.280 nan 0.000 0.478 481 T N 1.692 116.211 114.554 -0.059 0.000 2.924 481 T HA 0.612 4.956 4.350 -0.010 0.000 0.291 481 T C -1.236 173.334 174.700 -0.216 0.000 1.045 481 T CA -0.943 61.061 62.100 -0.159 0.000 1.015 481 T CB 1.959 70.769 68.868 -0.096 0.000 1.103 481 T HN 0.435 nan 8.240 nan 0.000 0.496 482 L N 2.072 123.044 121.223 -0.418 0.000 2.334 482 L HA 0.560 4.894 4.340 -0.010 0.000 0.276 482 L C -0.783 175.714 176.870 -0.620 0.000 1.014 482 L CA -0.559 54.068 54.840 -0.355 0.000 0.815 482 L CB 1.419 43.318 42.059 -0.267 0.000 1.268 482 L HN 0.889 nan 8.230 nan 0.000 0.428 483 H N 1.566 120.423 119.070 -0.354 0.000 2.895 483 H HA 0.278 4.828 4.556 -0.010 0.000 0.373 483 H C -0.528 174.630 175.328 -0.285 0.000 1.174 483 H CA -0.677 55.079 56.048 -0.487 0.000 1.144 483 H CB 2.367 31.475 29.762 -1.090 0.000 1.793 483 H HN 0.548 nan 8.280 nan 0.000 0.551 484 S N 0.407 116.101 115.700 -0.009 0.000 2.480 484 S HA 0.106 4.570 4.470 -0.010 0.000 0.286 484 S C 1.100 175.691 174.600 -0.014 0.000 1.180 484 S CA -0.285 57.926 58.200 0.018 0.000 1.075 484 S CB 1.350 64.578 63.200 0.047 0.000 0.996 484 S HN 0.695 nan 8.310 nan 0.000 0.487 485 S N 2.709 118.405 115.700 -0.007 0.000 2.593 485 S HA -0.008 4.456 4.470 -0.010 0.000 0.217 485 S C 1.386 175.990 174.600 0.007 0.000 0.966 485 S CA 0.312 58.610 58.200 0.164 0.000 0.914 485 S CB -0.199 63.130 63.200 0.216 0.000 0.776 485 S HN 0.706 nan 8.310 nan 0.000 0.523 486 V N 3.001 122.873 119.914 -0.069 0.000 2.626 486 V HA -0.080 4.034 4.120 -0.010 0.000 0.252 486 V C 1.448 177.528 176.094 -0.024 0.000 1.067 486 V CA 2.062 64.330 62.300 -0.054 0.000 1.081 486 V CB -0.495 31.284 31.823 -0.074 0.000 0.686 486 V HN 0.914 nan 8.190 nan 0.000 0.468 487 N N -2.904 115.789 118.700 -0.012 0.000 1.986 487 N HA 0.053 4.787 4.740 -0.010 0.000 0.227 487 N C -0.081 175.433 175.510 0.008 0.000 1.387 487 N CA 0.559 53.606 53.050 -0.005 0.000 0.810 487 N CB 0.144 38.633 38.487 0.003 0.000 1.140 487 N HN 0.379 nan 8.380 nan 0.000 0.504 488 D N 0.039 120.465 120.400 0.043 0.000 2.873 488 D HA -0.167 4.467 4.640 -0.010 0.000 0.228 488 D C -0.570 175.769 176.300 0.065 0.000 1.122 488 D CA 0.693 54.748 54.000 0.092 0.000 0.758 488 D CB -1.113 39.732 40.800 0.076 0.000 1.094 488 D HN 0.540 nan 8.370 nan 0.000 0.434 489 K N 0.706 121.131 120.400 0.041 0.000 2.174 489 K HA 0.448 4.762 4.320 -0.010 0.000 0.275 489 K C 0.727 177.335 176.600 0.013 0.000 1.015 489 K CA -0.143 56.160 56.287 0.027 0.000 0.933 489 K CB 0.976 33.480 32.500 0.007 0.000 1.025 489 K HN 0.087 nan 8.250 nan 0.000 0.463 490 G N 4.004 112.795 108.800 -0.014 0.000 2.358 490 G HA2 0.156 4.111 3.960 -0.010 0.000 0.273 490 G HA3 0.156 4.111 3.960 -0.010 0.000 0.273 490 G C 0.711 175.477 174.900 -0.223 0.000 1.215 490 G CA -0.398 44.573 45.100 -0.215 0.000 0.910 490 G HN 0.648 nan 8.290 nan 0.000 0.467 491 L N 1.934 122.972 121.223 -0.309 0.000 2.121 491 L HA 0.303 4.637 4.340 -0.010 0.000 0.200 491 L C 1.620 178.383 176.870 -0.178 0.000 1.077 491 L CA 0.839 55.569 54.840 -0.184 0.000 0.766 491 L CB -0.204 41.765 42.059 -0.150 0.000 0.931 491 L HN 0.722 nan 8.230 nan 0.000 0.452 492 R N -1.229 119.124 120.500 -0.246 0.000 2.716 492 R HA 0.459 4.793 4.340 -0.010 0.000 0.271 492 R C -1.658 174.497 176.300 -0.242 0.000 1.028 492 R CA -0.805 55.176 56.100 -0.198 0.000 0.883 492 R CB 1.701 31.913 30.300 -0.147 0.000 1.250 492 R HN -0.244 nan 8.270 nan 0.000 0.465 493 V N 3.431 123.234 119.914 -0.185 0.000 2.408 493 V HA 0.157 4.271 4.120 -0.010 0.000 0.267 493 V C 1.254 177.203 176.094 -0.242 0.000 1.047 493 V CA -0.344 61.847 62.300 -0.182 0.000 0.937 493 V CB 0.943 32.699 31.823 -0.112 0.000 0.999 493 V HN 0.661 nan 8.190 nan 0.000 0.472 494 L N 2.686 123.680 121.223 -0.380 0.000 2.168 494 L HA 0.273 4.607 4.340 -0.010 0.000 0.203 494 L C 0.790 177.378 176.870 -0.471 0.000 1.078 494 L CA 0.814 55.234 54.840 -0.700 0.000 0.780 494 L CB 0.150 41.352 42.059 -1.428 0.000 0.939 494 L HN 0.634 nan 8.230 nan 0.000 0.451 495 E N -0.084 119.962 120.200 -0.257 0.000 2.311 495 E HA 0.093 4.437 4.350 -0.010 0.000 0.281 495 E C -1.118 175.499 176.600 0.027 0.000 0.905 495 E CA -0.318 56.041 56.400 -0.068 0.000 0.778 495 E CB 1.183 30.829 29.700 -0.089 0.000 1.240 495 E HN 0.176 nan 8.360 nan 0.000 0.410 496 D N 3.822 124.231 120.400 0.014 0.000 2.503 496 D HA 0.059 4.693 4.640 -0.010 0.000 0.218 496 D C -0.561 175.743 176.300 0.007 0.000 1.183 496 D CA -0.212 53.795 54.000 0.012 0.000 0.827 496 D CB -0.055 40.735 40.800 -0.017 0.000 1.034 496 D HN 0.487 nan 8.370 nan 0.000 0.510 497 N N 1.120 119.834 118.700 0.023 0.000 2.716 497 N HA -0.182 4.552 4.740 -0.010 0.000 0.250 497 N C 0.877 176.389 175.510 0.003 0.000 1.033 497 N CA 0.950 54.011 53.050 0.017 0.000 0.727 497 N CB -1.336 37.156 38.487 0.008 0.000 0.950 497 N HN 0.469 nan 8.380 nan 0.000 0.541 498 S N -1.628 114.077 115.700 0.007 0.000 2.489 498 S HA 0.130 4.594 4.470 -0.010 0.000 0.228 498 S C 1.999 176.613 174.600 0.023 0.000 0.995 498 S CA 0.507 58.710 58.200 0.006 0.000 0.934 498 S CB 0.231 63.434 63.200 0.005 0.000 0.771 498 S HN 0.515 nan 8.310 nan 0.000 0.522 499 A N 2.217 125.058 122.820 0.035 0.000 1.872 499 A HA 0.150 4.464 4.320 -0.010 0.000 0.214 499 A C 2.150 179.779 177.584 0.075 0.000 1.187 499 A CA 1.355 53.423 52.037 0.051 0.000 0.614 499 A CB -0.873 18.157 19.000 0.050 0.000 0.826 499 A HN 0.491 nan 8.150 nan 0.000 0.442 500 L N 0.121 121.393 121.223 0.082 0.000 2.083 500 L HA -0.160 4.175 4.340 -0.010 0.000 0.209 500 L C 1.907 178.829 176.870 0.086 0.000 1.083 500 L CA 2.581 57.494 54.840 0.122 0.000 0.752 500 L CB -0.569 41.560 42.059 0.116 0.000 0.899 500 L HN 0.439 nan 8.230 nan 0.000 0.433 501 D N -0.494 119.925 120.400 0.032 0.000 2.117 501 D HA -0.203 4.431 4.640 -0.010 0.000 0.197 501 D C 1.970 178.288 176.300 0.030 0.000 0.987 501 D CA 0.963 54.965 54.000 0.003 0.000 0.829 501 D CB 0.163 40.952 40.800 -0.019 0.000 0.961 501 D HN 0.258 nan 8.370 nan 0.000 0.460 502 K N 0.224 120.652 120.400 0.047 0.000 1.987 502 K HA -0.151 4.163 4.320 -0.010 0.000 0.216 502 K C 2.383 179.033 176.600 0.083 0.000 1.051 502 K CA 1.082 57.403 56.287 0.056 0.000 0.942 502 K CB -0.714 31.820 32.500 0.058 0.000 0.722 502 K HN 0.341 nan 8.250 nan 0.000 0.444 503 M N 0.439 120.118 119.600 0.132 0.000 2.106 503 M HA -0.197 4.277 4.480 -0.010 0.000 0.259 503 M C 2.097 178.491 176.300 0.157 0.000 1.068 503 M CA 1.306 56.736 55.300 0.216 0.000 1.100 503 M CB -0.472 32.361 32.600 0.388 0.000 1.351 503 M HN -0.019 nan 8.290 nan 0.000 0.404 504 L N 0.583 121.846 121.223 0.066 0.000 2.353 504 L HA -0.158 4.176 4.340 -0.010 0.000 0.220 504 L C 2.384 179.251 176.870 -0.005 0.000 1.133 504 L CA 1.648 56.467 54.840 -0.035 0.000 0.798 504 L CB -0.925 41.114 42.059 -0.033 0.000 0.922 504 L HN 0.382 nan 8.230 nan 0.000 0.445 505 Q N -1.345 118.471 119.800 0.026 0.000 2.369 505 Q HA -0.116 4.218 4.340 -0.010 0.000 0.206 505 Q C 1.412 177.436 176.000 0.038 0.000 0.963 505 Q CA 0.738 56.557 55.803 0.027 0.000 0.894 505 Q CB -0.081 28.675 28.738 0.030 0.000 0.965 505 Q HN 0.531 nan 8.270 nan 0.000 0.475 506 N N 0.452 119.184 118.700 0.054 0.000 2.203 506 N HA 0.047 4.781 4.740 -0.010 0.000 0.207 506 N C -0.925 174.627 175.510 0.070 0.000 1.130 506 N CA -0.002 53.088 53.050 0.067 0.000 0.861 506 N CB 1.228 39.764 38.487 0.082 0.000 1.005 506 N HN -0.018 nan 8.380 nan 0.000 0.507 507 V N 2.052 121.990 119.914 0.039 0.000 2.448 507 V HA 0.297 4.411 4.120 -0.010 0.000 0.295 507 V C -0.550 175.549 176.094 0.008 0.000 1.025 507 V CA -0.747 61.571 62.300 0.029 0.000 0.859 507 V CB 1.614 33.421 31.823 -0.027 0.000 0.988 507 V HN 0.145 nan 8.190 nan 0.000 0.431 508 Q N 6.986 126.803 119.800 0.029 0.000 2.300 508 Q HA 0.350 4.684 4.340 -0.010 0.000 0.262 508 Q C -0.549 175.423 176.000 -0.047 0.000 1.109 508 Q CA -0.219 55.575 55.803 -0.016 0.000 0.905 508 Q CB 0.822 29.565 28.738 0.009 0.000 1.280 508 Q HN 0.630 nan 8.270 nan 0.000 0.426 509 M N 3.857 123.408 119.600 -0.081 0.000 2.342 509 M HA 0.449 4.923 4.480 -0.010 0.000 0.332 509 M C -2.077 174.141 176.300 -0.136 0.000 1.166 509 M CA -2.604 52.636 55.300 -0.100 0.000 1.086 509 M CB 0.616 33.167 32.600 -0.081 0.000 1.541 509 M HN 0.535 nan 8.290 nan 0.000 0.462 510 P HA 0.178 nan 4.420 nan 0.000 0.273 510 P C -0.668 176.533 177.300 -0.165 0.000 1.250 510 P CA -0.241 62.749 63.100 -0.184 0.000 0.793 510 P CB 0.433 32.006 31.700 -0.213 0.000 1.011 511 S N -0.883 114.705 115.700 -0.187 0.000 2.739 511 S HA 0.641 5.105 4.470 -0.010 0.000 0.306 511 S C -0.600 173.896 174.600 -0.174 0.000 1.115 511 S CA -0.768 57.341 58.200 -0.152 0.000 0.985 511 S CB 1.721 64.838 63.200 -0.140 0.000 1.133 511 S HN 0.509 nan 8.310 nan 0.000 0.541 512 K N 0.466 120.792 120.400 -0.124 0.000 2.507 512 K HA 0.386 4.700 4.320 -0.010 0.000 0.252 512 K C -1.441 175.107 176.600 -0.086 0.000 0.943 512 K CA -0.454 55.766 56.287 -0.111 0.000 0.808 512 K CB 1.363 33.820 32.500 -0.072 0.000 1.142 512 K HN 0.698 nan 8.250 nan 0.000 0.426 513 K N 5.400 125.739 120.400 -0.102 0.000 2.263 513 K HA 0.267 4.581 4.320 -0.010 0.000 0.272 513 K C -1.351 175.206 176.600 -0.072 0.000 1.033 513 K CA -0.796 55.447 56.287 -0.074 0.000 0.884 513 K CB 0.831 33.284 32.500 -0.078 0.000 1.107 513 K HN 0.475 nan 8.250 nan 0.000 0.460 514 L N 4.338 125.542 121.223 -0.032 0.000 2.296 514 L HA 0.523 4.857 4.340 -0.010 0.000 0.286 514 L C -1.033 175.848 176.870 0.017 0.000 1.023 514 L CA 0.307 55.154 54.840 0.011 0.000 0.812 514 L CB 1.247 43.374 42.059 0.115 0.000 1.223 514 L HN 0.759 nan 8.230 nan 0.000 0.421 515 D N 2.641 122.911 120.400 -0.216 0.000 2.713 515 D HA 0.427 5.061 4.640 -0.010 0.000 0.306 515 D C -1.582 174.367 176.300 -0.584 0.000 1.299 515 D CA -0.113 53.655 54.000 -0.386 0.000 0.823 515 D CB 1.641 42.155 40.800 -0.477 0.000 1.353 515 D HN 0.223 nan 8.370 nan 0.000 0.447 516 F N 0.039 119.603 119.950 -0.642 0.000 2.593 516 F HA 0.797 5.319 4.527 -0.009 0.000 0.320 516 F C -0.480 175.359 175.800 0.065 0.000 1.060 516 F CA -1.034 56.650 58.000 -0.526 0.000 0.940 516 F CB 0.852 39.054 39.000 -1.329 0.000 1.268 516 F HN 0.268 nan 8.300 nan 0.000 0.475 517 I N -0.225 120.571 120.570 0.376 0.000 2.892 517 I HA 0.673 4.837 4.170 -0.010 0.000 0.306 517 I C -1.395 174.941 176.117 0.365 0.000 1.078 517 I CA -1.248 60.221 61.300 0.282 0.000 1.032 517 I CB 2.401 40.535 38.000 0.223 0.000 1.229 517 I HN 0.645 nan 8.210 nan 0.000 0.435 518 I N 4.487 125.211 120.570 0.257 0.000 2.312 518 I HA 0.362 4.526 4.170 -0.010 0.000 0.290 518 I C -1.119 175.122 176.117 0.206 0.000 1.008 518 I CA -0.557 60.879 61.300 0.227 0.000 1.226 518 I CB 1.457 39.560 38.000 0.171 0.000 1.371 518 I HN 0.331 nan 8.210 nan 0.000 0.468 519 L N 7.068 128.468 121.223 0.294 0.000 2.349 519 L HA 0.435 4.769 4.340 -0.010 0.000 0.278 519 L C 0.036 177.036 176.870 0.216 0.000 0.996 519 L CA -0.497 54.503 54.840 0.267 0.000 0.825 519 L CB 0.981 43.264 42.059 0.373 0.000 1.243 519 L HN 0.484 nan 8.230 nan 0.000 0.412 520 N N 3.305 122.075 118.700 0.117 0.000 2.699 520 N HA -0.254 4.480 4.740 -0.010 0.000 0.256 520 N C 0.211 175.755 175.510 0.056 0.000 0.993 520 N CA 1.206 54.300 53.050 0.073 0.000 0.759 520 N CB -0.875 37.649 38.487 0.063 0.000 0.906 520 N HN 0.785 nan 8.380 nan 0.000 0.541 521 E N -2.568 117.662 120.200 0.050 0.000 2.494 521 E HA -0.260 4.084 4.350 -0.010 0.000 0.249 521 E C -0.705 175.884 176.600 -0.018 0.000 1.184 521 E CA 1.328 57.740 56.400 0.020 0.000 0.727 521 E CB -0.944 28.761 29.700 0.008 0.000 1.281 521 E HN 0.450 nan 8.360 nan 0.000 0.405 522 T N 0.163 114.700 114.554 -0.028 0.000 2.841 522 T HA 0.341 4.685 4.350 -0.010 0.000 0.283 522 T C -0.103 174.439 174.700 -0.264 0.000 1.000 522 T CA -0.800 61.182 62.100 -0.197 0.000 0.977 522 T CB 1.506 70.183 68.868 -0.318 0.000 0.979 522 T HN -0.003 nan 8.240 nan 0.000 0.446 523 K N 1.892 122.088 120.400 -0.339 0.000 2.298 523 K HA 0.473 4.787 4.320 -0.010 0.000 0.280 523 K C -1.127 175.213 176.600 -0.434 0.000 1.032 523 K CA -0.064 56.044 56.287 -0.298 0.000 0.958 523 K CB 0.480 32.713 32.500 -0.446 0.000 0.978 523 K HN 0.373 nan 8.250 nan 0.000 0.472 524 F N 1.625 121.611 119.950 0.061 0.000 2.557 524 F HA 0.293 4.815 4.527 -0.009 0.000 0.316 524 F C -0.901 174.945 175.800 0.077 0.000 1.141 524 F CA -0.714 57.337 58.000 0.084 0.000 0.922 524 F CB 1.043 40.130 39.000 0.146 0.000 1.194 524 F HN 0.448 nan 8.300 nan 0.000 0.443 525 W N 3.933 125.369 121.300 0.226 0.000 2.449 525 W HA 0.582 5.236 4.660 -0.011 0.000 0.331 525 W C -0.773 175.890 176.519 0.241 0.000 1.119 525 W CA -0.636 56.851 57.345 0.236 0.000 1.240 525 W CB 1.002 30.545 29.460 0.138 0.000 1.251 525 W HN 0.433 nan 8.180 nan 0.000 0.576 526 Y N -0.036 120.577 120.300 0.520 0.000 2.562 526 Y HA 0.628 5.172 4.550 -0.010 0.000 0.345 526 Y C -0.888 175.242 175.900 0.384 0.000 1.045 526 Y CA -1.778 56.638 58.100 0.528 0.000 1.028 526 Y CB 1.093 40.051 38.460 0.831 0.000 1.297 526 Y HN 0.582 nan 8.280 nan 0.000 0.463 527 Q N 2.816 122.823 119.800 0.346 0.000 2.433 527 Q HA 0.779 5.113 4.340 -0.010 0.000 0.279 527 Q C -1.649 174.459 176.000 0.180 0.000 1.105 527 Q CA -1.207 54.683 55.803 0.146 0.000 0.815 527 Q CB 3.302 32.104 28.738 0.106 0.000 1.403 527 Q HN 0.871 nan 8.270 nan 0.000 0.435 528 M N 2.020 121.650 119.600 0.051 0.000 2.395 528 M HA 0.448 4.922 4.480 -0.010 0.000 0.307 528 M C -1.200 175.022 176.300 -0.129 0.000 1.091 528 M CA -0.934 54.336 55.300 -0.051 0.000 0.919 528 M CB 2.278 34.815 32.600 -0.106 0.000 1.662 528 M HN 0.589 nan 8.290 nan 0.000 0.440 529 I N 5.178 125.660 120.570 -0.145 0.000 2.291 529 I HA 0.338 4.502 4.170 -0.010 0.000 0.290 529 I C -0.617 175.331 176.117 -0.282 0.000 1.050 529 I CA -0.243 60.942 61.300 -0.193 0.000 1.245 529 I CB -0.040 37.863 38.000 -0.163 0.000 1.405 529 I HN 0.619 nan 8.210 nan 0.000 0.478 530 L N 8.219 129.221 121.223 -0.368 0.000 2.295 530 L HA 0.469 4.803 4.340 -0.010 0.000 0.285 530 L C -2.207 174.426 176.870 -0.395 0.000 1.035 530 L CA -1.875 52.631 54.840 -0.556 0.000 0.806 530 L CB 1.174 42.710 42.059 -0.872 0.000 1.214 530 L HN 0.254 nan 8.230 nan 0.000 0.426 531 P HA 0.014 nan 4.420 nan 0.000 0.267 531 P C -2.401 174.812 177.300 -0.145 0.000 1.201 531 P CA -0.731 62.249 63.100 -0.201 0.000 0.775 531 P CB -0.358 31.252 31.700 -0.150 0.000 0.854 532 P HA -0.138 nan 4.420 nan 0.000 0.267 532 P C -0.039 177.151 177.300 -0.183 0.000 1.195 532 P CA 0.866 63.795 63.100 -0.285 0.000 0.773 532 P CB -0.158 31.341 31.700 -0.335 0.000 0.837 533 H N -1.639 117.462 119.070 0.051 0.000 2.626 533 H HA -0.216 4.334 4.556 -0.010 0.000 0.317 533 H C 0.235 175.622 175.328 0.098 0.000 1.140 533 H CA 0.153 56.238 56.048 0.061 0.000 1.134 533 H CB -2.366 27.425 29.762 0.048 0.000 1.486 533 H HN 0.375 nan 8.280 nan 0.000 0.417 534 F N 2.248 122.178 119.950 -0.034 0.000 2.607 534 F HA 0.180 4.701 4.527 -0.010 0.000 0.374 534 F C 0.555 176.357 175.800 0.003 0.000 1.104 534 F CA -0.075 57.863 58.000 -0.102 0.000 1.296 534 F CB 0.626 39.471 39.000 -0.260 0.000 1.085 534 F HN 0.214 nan 8.300 nan 0.000 0.584 535 D N 5.652 125.653 120.400 -0.664 0.000 2.542 535 D HA 0.157 4.791 4.640 -0.010 0.000 0.252 535 D C 0.345 176.249 176.300 -0.659 0.000 1.222 535 D CA -0.422 53.286 54.000 -0.486 0.000 0.895 535 D CB 1.402 42.117 40.800 -0.140 0.000 1.207 535 D HN 0.663 nan 8.370 nan 0.000 0.558 536 K N 0.797 120.827 120.400 -0.616 0.000 2.442 536 K HA -0.078 4.237 4.320 -0.010 0.000 0.198 536 K C 1.387 177.962 176.600 -0.043 0.000 1.044 536 K CA 0.865 56.967 56.287 -0.309 0.000 0.948 536 K CB 0.218 32.654 32.500 -0.107 0.000 0.762 536 K HN 0.342 nan 8.250 nan 0.000 0.472 537 S N -0.126 115.519 115.700 -0.093 0.000 2.577 537 S HA 0.115 4.579 4.470 -0.010 0.000 0.219 537 S C 0.073 174.626 174.600 -0.079 0.000 0.962 537 S CA -0.441 57.729 58.200 -0.051 0.000 0.921 537 S CB 0.203 63.370 63.200 -0.056 0.000 0.789 537 S HN 0.023 nan 8.310 nan 0.000 0.497 538 K N 1.422 121.748 120.400 -0.123 0.000 2.156 538 K HA 0.437 4.751 4.320 -0.010 0.000 0.250 538 K C -0.726 175.765 176.600 -0.181 0.000 0.955 538 K CA -0.885 55.250 56.287 -0.254 0.000 0.855 538 K CB 0.914 33.084 32.500 -0.551 0.000 1.101 538 K HN -0.012 nan 8.250 nan 0.000 0.434 539 K N 2.771 123.043 120.400 -0.213 0.000 2.268 539 K HA 0.231 4.545 4.320 -0.010 0.000 0.276 539 K C -0.770 175.725 176.600 -0.175 0.000 1.080 539 K CA -0.282 55.950 56.287 -0.092 0.000 0.910 539 K CB 0.305 32.756 32.500 -0.081 0.000 1.163 539 K HN 0.467 nan 8.250 nan 0.000 0.465 540 Y N 3.331 123.670 120.300 0.066 0.000 2.334 540 Y HA 0.219 4.763 4.550 -0.010 0.000 0.328 540 Y C -1.674 174.179 175.900 -0.078 0.000 1.130 540 Y CA -2.241 55.873 58.100 0.024 0.000 1.163 540 Y CB 0.713 39.248 38.460 0.126 0.000 1.207 540 Y HN 0.453 nan 8.280 nan 0.000 0.471 541 P HA 0.131 nan 4.420 nan 0.000 0.272 541 P C -1.094 176.077 177.300 -0.215 0.000 1.223 541 P CA -0.123 62.722 63.100 -0.424 0.000 0.784 541 P CB 1.403 32.561 31.700 -0.903 0.000 0.923 542 L N 2.811 123.924 121.223 -0.183 0.000 2.436 542 L HA 0.564 4.898 4.340 -0.010 0.000 0.268 542 L C -1.442 175.608 176.870 0.300 0.000 0.974 542 L CA -1.099 53.788 54.840 0.078 0.000 0.826 542 L CB 1.896 44.008 42.059 0.088 0.000 1.291 542 L HN 0.157 nan 8.230 nan 0.000 0.406 543 L N 5.045 126.462 121.223 0.323 0.000 2.322 543 L HA 0.578 4.912 4.340 -0.010 0.000 0.281 543 L C -1.445 175.650 176.870 0.375 0.000 1.014 543 L CA -0.357 54.731 54.840 0.413 0.000 0.815 543 L CB 1.695 43.963 42.059 0.349 0.000 1.247 543 L HN 0.669 nan 8.230 nan 0.000 0.421 544 L N 4.934 126.425 121.223 0.448 0.000 2.255 544 L HA 0.432 4.766 4.340 -0.010 0.000 0.289 544 L C -0.615 176.471 176.870 0.360 0.000 1.046 544 L CA 0.095 55.176 54.840 0.403 0.000 0.816 544 L CB 0.675 43.011 42.059 0.461 0.000 1.197 544 L HN 0.610 nan 8.230 nan 0.000 0.427 545 D N 4.093 124.680 120.400 0.312 0.000 2.339 545 D HA 0.218 4.852 4.640 -0.010 0.000 0.241 545 D C -0.905 175.465 176.300 0.117 0.000 1.183 545 D CA 0.168 54.267 54.000 0.165 0.000 0.859 545 D CB 1.207 42.160 40.800 0.254 0.000 1.067 545 D HN 0.332 nan 8.370 nan 0.000 0.484 546 V N 5.906 125.824 119.914 0.008 0.000 2.604 546 V HA 0.427 4.541 4.120 -0.010 0.000 0.305 546 V C -0.913 175.300 176.094 0.199 0.000 1.043 546 V CA -0.476 61.908 62.300 0.139 0.000 0.888 546 V CB 1.763 33.681 31.823 0.158 0.000 0.995 546 V HN 0.579 nan 8.190 nan 0.000 0.429 547 Y N 5.737 126.114 120.300 0.128 0.000 3.059 547 Y HA 0.558 5.102 4.550 -0.010 0.000 0.212 547 Y C 1.625 177.657 175.900 0.220 0.000 0.947 547 Y CA 1.357 59.557 58.100 0.167 0.000 1.571 547 Y CB -0.017 38.523 38.460 0.134 0.000 1.432 547 Y HN 1.580 nan 8.280 nan 0.000 0.450 548 A N 0.726 123.571 122.820 0.041 0.000 3.172 548 A HA -0.148 4.166 4.320 -0.010 0.000 0.263 548 A C 1.140 178.536 177.584 -0.313 0.000 1.215 548 A CA 1.114 53.127 52.037 -0.040 0.000 1.065 548 A CB -2.552 16.572 19.000 0.207 0.000 1.148 548 A HN 1.049 nan 8.150 nan 0.000 0.904 549 G N -0.798 107.551 108.800 -0.751 0.000 2.667 549 G HA2 0.451 4.405 3.960 -0.010 0.000 0.250 549 G HA3 0.451 4.405 3.960 -0.010 0.000 0.250 549 G C -2.250 172.211 174.900 -0.732 0.000 1.212 549 G CA -0.608 43.800 45.100 -1.153 0.000 0.874 549 G HN 0.296 nan 8.290 nan 0.000 0.561 550 P HA 0.092 nan 4.420 nan 0.000 0.262 550 P C 0.532 177.568 177.300 -0.441 0.000 1.199 550 P CA 0.191 62.916 63.100 -0.624 0.000 0.763 550 P CB 0.593 31.469 31.700 -1.374 0.000 0.790 551 C N 2.795 121.918 119.300 -0.295 0.000 4.475 551 C HA -0.152 4.302 4.460 -0.010 0.000 0.280 551 C C 0.934 175.800 174.990 -0.207 0.000 1.338 551 C CA 1.059 59.884 59.018 -0.322 0.000 1.893 551 C CB -2.690 24.732 27.740 -0.530 0.000 1.299 551 C HN 0.773 nan 8.230 nan 0.000 0.767 552 S N 0.323 115.843 115.700 -0.301 0.000 2.603 552 S HA 0.540 5.004 4.470 -0.010 0.000 0.268 552 S C -0.620 173.939 174.600 -0.067 0.000 1.317 552 S CA 0.244 58.211 58.200 -0.389 0.000 1.012 552 S CB 1.586 64.061 63.200 -1.209 0.000 0.926 552 S HN 0.836 nan 8.310 nan 0.000 0.539 553 Q N 0.434 120.313 119.800 0.131 0.000 2.269 553 Q HA 0.376 4.710 4.340 -0.010 0.000 0.263 553 Q C -0.787 175.347 176.000 0.222 0.000 0.983 553 Q CA -0.642 55.292 55.803 0.218 0.000 0.777 553 Q CB 1.117 30.080 28.738 0.376 0.000 1.273 553 Q HN 0.761 nan 8.270 nan 0.000 0.440 554 K N 1.095 121.610 120.400 0.190 0.000 2.438 554 K HA 0.332 4.646 4.320 -0.010 0.000 0.206 554 K C -0.615 176.098 176.600 0.188 0.000 1.081 554 K CA 0.169 56.581 56.287 0.208 0.000 1.053 554 K CB 1.752 34.394 32.500 0.235 0.000 0.908 554 K HN 0.493 nan 8.250 nan 0.000 0.556 555 A N 2.745 125.675 122.820 0.184 0.000 2.316 555 A HA 0.431 4.745 4.320 -0.010 0.000 0.324 555 A C -0.765 176.889 177.584 0.116 0.000 1.375 555 A CA -0.500 51.646 52.037 0.181 0.000 0.882 555 A CB 0.102 19.264 19.000 0.269 0.000 1.152 555 A HN 0.223 nan 8.150 nan 0.000 0.512 556 D N -0.036 120.418 120.400 0.090 0.000 2.798 556 D HA 0.478 5.112 4.640 -0.010 0.000 0.308 556 D C 0.404 176.739 176.300 0.058 0.000 1.187 556 D CA 0.288 54.338 54.000 0.083 0.000 1.033 556 D CB 0.388 41.262 40.800 0.123 0.000 1.445 556 D HN 0.157 nan 8.370 nan 0.000 0.550 557 T N -2.364 112.251 114.554 0.100 0.000 3.214 557 T HA 0.359 4.703 4.350 -0.010 0.000 0.264 557 T C 0.241 174.937 174.700 -0.006 0.000 1.012 557 T CA -0.430 61.715 62.100 0.077 0.000 0.901 557 T CB -0.727 68.222 68.868 0.134 0.000 1.070 557 T HN 0.252 nan 8.240 nan 0.000 0.561 558 V N 2.493 122.307 119.914 -0.166 0.000 2.686 558 V HA 0.367 4.481 4.120 -0.010 0.000 0.295 558 V C 0.071 176.129 176.094 -0.060 0.000 1.055 558 V CA -0.984 61.166 62.300 -0.248 0.000 1.050 558 V CB 0.350 31.910 31.823 -0.438 0.000 0.984 558 V HN 0.600 nan 8.190 nan 0.000 0.482 559 F N 5.946 125.811 119.950 -0.142 0.000 2.410 559 F HA 0.586 5.107 4.527 -0.010 0.000 0.348 559 F C 0.437 176.187 175.800 -0.083 0.000 1.106 559 F CA -0.213 57.728 58.000 -0.098 0.000 1.163 559 F CB 0.385 39.337 39.000 -0.081 0.000 1.129 559 F HN 0.402 nan 8.300 nan 0.000 0.516 560 R N 6.729 126.744 120.500 -0.807 0.000 2.574 560 R HA 0.484 4.818 4.340 -0.010 0.000 0.288 560 R C -1.605 174.280 176.300 -0.692 0.000 1.004 560 R CA -0.949 54.829 56.100 -0.537 0.000 0.895 560 R CB 2.014 32.156 30.300 -0.264 0.000 1.191 560 R HN 0.692 nan 8.270 nan 0.000 0.444 561 L N 4.655 125.652 121.223 -0.377 0.000 2.283 561 L HA 0.408 4.742 4.340 -0.010 0.000 0.281 561 L C -0.530 176.304 176.870 -0.061 0.000 1.033 561 L CA -0.624 54.054 54.840 -0.270 0.000 0.848 561 L CB 0.316 42.374 42.059 -0.002 0.000 1.226 561 L HN 0.744 nan 8.230 nan 0.000 0.429 562 N N 0.348 118.920 118.700 -0.214 0.000 3.316 562 N HA 0.142 4.876 4.740 -0.010 0.000 0.300 562 N C 0.189 175.379 175.510 -0.533 0.000 1.567 562 N CA -0.940 51.892 53.050 -0.364 0.000 0.821 562 N CB 0.210 38.604 38.487 -0.154 0.000 1.748 562 N HN 0.278 nan 8.380 nan 0.000 0.603 563 W N 0.837 121.526 121.300 -1.019 0.000 2.304 563 W HA -0.064 4.590 4.660 -0.010 0.000 0.315 563 W C 2.111 178.595 176.519 -0.059 0.000 1.233 563 W CA 3.424 60.453 57.345 -0.526 0.000 1.261 563 W CB -1.103 28.187 29.460 -0.284 0.000 1.150 563 W HN 0.731 nan 8.180 nan 0.000 0.494 564 A N -0.544 122.212 122.820 -0.107 0.000 1.940 564 A HA -0.241 4.073 4.320 -0.010 0.000 0.219 564 A C 1.939 179.381 177.584 -0.237 0.000 1.176 564 A CA 2.716 54.623 52.037 -0.217 0.000 0.631 564 A CB -1.373 17.598 19.000 -0.048 0.000 0.814 564 A HN 0.353 nan 8.150 nan 0.000 0.446 565 T N -1.166 113.251 114.554 -0.229 0.000 2.665 565 T HA -0.259 4.085 4.350 -0.010 0.000 0.268 565 T C 1.786 176.415 174.700 -0.119 0.000 1.035 565 T CA 1.831 63.748 62.100 -0.306 0.000 1.151 565 T CB -0.577 67.915 68.868 -0.627 0.000 0.862 565 T HN 0.727 nan 8.240 nan 0.000 0.438 566 Y N 1.927 122.240 120.300 0.022 0.000 2.181 566 Y HA -0.062 4.482 4.550 -0.010 0.000 0.288 566 Y C 2.024 177.901 175.900 -0.040 0.000 1.146 566 Y CA 1.041 59.245 58.100 0.173 0.000 1.164 566 Y CB -0.601 38.000 38.460 0.235 0.000 0.982 566 Y HN 0.102 nan 8.280 nan 0.000 0.515 567 L N 0.413 121.193 121.223 -0.739 0.000 2.079 567 L HA -0.228 4.106 4.340 -0.010 0.000 0.210 567 L C 2.854 179.456 176.870 -0.447 0.000 1.081 567 L CA 1.311 55.669 54.840 -0.803 0.000 0.752 567 L CB -0.906 40.733 42.059 -0.700 0.000 0.896 567 L HN 0.450 nan 8.230 nan 0.000 0.433 568 A N -1.361 121.269 122.820 -0.316 0.000 1.898 568 A HA -0.161 4.153 4.320 -0.010 0.000 0.214 568 A C 2.512 179.994 177.584 -0.169 0.000 1.183 568 A CA 1.656 53.557 52.037 -0.226 0.000 0.622 568 A CB -0.549 18.316 19.000 -0.225 0.000 0.824 568 A HN 0.317 nan 8.150 nan 0.000 0.444 569 S N -1.195 114.424 115.700 -0.134 0.000 2.368 569 S HA -0.103 4.361 4.470 -0.010 0.000 0.224 569 S C 1.994 176.589 174.600 -0.008 0.000 1.029 569 S CA 2.229 60.404 58.200 -0.041 0.000 0.988 569 S CB -0.331 62.904 63.200 0.058 0.000 0.838 569 S HN 0.589 nan 8.310 nan 0.000 0.462 570 T N 1.253 115.775 114.554 -0.054 0.000 2.925 570 T HA 0.165 4.509 4.350 -0.010 0.000 0.245 570 T C 1.518 176.176 174.700 -0.069 0.000 1.025 570 T CA 0.534 62.627 62.100 -0.012 0.000 1.149 570 T CB -0.188 68.746 68.868 0.110 0.000 0.866 570 T HN 0.270 nan 8.240 nan 0.000 0.437 571 E N 1.349 121.415 120.200 -0.224 0.000 2.481 571 E HA 0.124 4.468 4.350 -0.010 0.000 0.195 571 E C 0.104 176.685 176.600 -0.031 0.000 1.047 571 E CA -0.035 56.288 56.400 -0.130 0.000 0.867 571 E CB -0.393 29.173 29.700 -0.223 0.000 0.858 571 E HN 0.536 nan 8.360 nan 0.000 0.513 572 N N 0.535 119.215 118.700 -0.033 0.000 2.738 572 N HA -0.190 4.544 4.740 -0.010 0.000 0.249 572 N C -0.866 174.694 175.510 0.083 0.000 1.047 572 N CA 0.030 53.114 53.050 0.058 0.000 0.707 572 N CB -1.035 37.559 38.487 0.178 0.000 0.937 572 N HN 0.163 nan 8.380 nan 0.000 0.545 573 I N 1.260 121.817 120.570 -0.022 0.000 2.377 573 I HA 0.343 4.507 4.170 -0.010 0.000 0.293 573 I C 0.698 176.773 176.117 -0.070 0.000 0.987 573 I CA -0.751 60.550 61.300 0.002 0.000 1.185 573 I CB 1.471 39.493 38.000 0.038 0.000 1.341 573 I HN 0.030 nan 8.210 nan 0.000 0.455 574 I N 6.587 127.130 120.570 -0.045 0.000 2.452 574 I HA 0.119 4.283 4.170 -0.010 0.000 0.287 574 I C -0.360 175.733 176.117 -0.040 0.000 1.079 574 I CA -0.293 60.945 61.300 -0.104 0.000 1.387 574 I CB 0.741 38.699 38.000 -0.069 0.000 1.404 574 I HN 0.205 nan 8.210 nan 0.000 0.522 575 V N 6.587 126.457 119.914 -0.072 0.000 2.347 575 V HA 0.645 4.759 4.120 -0.010 0.000 0.280 575 V C 0.353 176.453 176.094 0.010 0.000 1.021 575 V CA -0.513 61.793 62.300 0.009 0.000 0.847 575 V CB 1.139 32.962 31.823 0.000 0.000 0.990 575 V HN 0.836 nan 8.190 nan 0.000 0.444 576 A N 3.847 126.707 122.820 0.066 0.000 2.337 576 A HA 0.942 5.256 4.320 -0.010 0.000 0.331 576 A C -0.142 177.578 177.584 0.226 0.000 1.137 576 A CA -0.481 51.591 52.037 0.058 0.000 0.807 576 A CB 1.777 20.672 19.000 -0.174 0.000 1.250 576 A HN 0.694 nan 8.150 nan 0.000 0.468 577 S N -0.482 115.399 115.700 0.301 0.000 2.632 577 S HA 0.841 5.305 4.470 -0.010 0.000 0.289 577 S C -1.528 173.418 174.600 0.577 0.000 1.115 577 S CA -0.298 58.130 58.200 0.379 0.000 0.889 577 S CB 1.432 64.801 63.200 0.283 0.000 1.116 577 S HN 0.905 nan 8.310 nan 0.000 0.486 578 F N 1.500 121.660 119.950 0.349 0.000 2.623 578 F HA 0.361 4.882 4.527 -0.010 0.000 0.323 578 F C -1.909 174.059 175.800 0.281 0.000 1.158 578 F CA -0.605 57.626 58.000 0.384 0.000 1.030 578 F CB 1.382 40.612 39.000 0.384 0.000 1.280 578 F HN 0.403 nan 8.300 nan 0.000 0.474 579 D N 5.005 125.199 120.400 -0.344 0.000 2.467 579 D HA 0.373 5.007 4.640 -0.010 0.000 0.220 579 D C 0.416 176.421 176.300 -0.491 0.000 1.103 579 D CA 0.146 54.006 54.000 -0.233 0.000 0.886 579 D CB 1.445 42.252 40.800 0.012 0.000 1.025 579 D HN 0.745 nan 8.370 nan 0.000 0.514 580 G N 1.162 109.761 108.800 -0.334 0.000 2.695 580 G HA2 0.275 4.229 3.960 -0.010 0.000 0.213 580 G HA3 0.275 4.229 3.960 -0.010 0.000 0.213 580 G C 0.158 175.038 174.900 -0.033 0.000 1.406 580 G CA -0.743 44.160 45.100 -0.327 0.000 1.049 580 G HN 0.271 nan 8.290 nan 0.000 0.573 581 R N -0.635 119.833 120.500 -0.055 0.000 2.570 581 R HA 0.367 4.701 4.340 -0.010 0.000 0.277 581 R C 1.230 177.594 176.300 0.108 0.000 1.039 581 R CA 1.451 57.622 56.100 0.119 0.000 1.065 581 R CB 0.468 30.817 30.300 0.081 0.000 0.964 581 R HN 1.043 nan 8.270 nan 0.000 0.428 582 G N 1.195 110.053 108.800 0.097 0.000 2.234 582 G HA2 -0.327 3.627 3.960 -0.010 0.000 0.235 582 G HA3 -0.327 3.627 3.960 -0.010 0.000 0.235 582 G C 0.140 175.016 174.900 -0.040 0.000 0.997 582 G CA 0.159 45.285 45.100 0.042 0.000 0.623 582 G HN 0.725 nan 8.290 nan 0.000 0.514 583 S N 0.449 116.138 115.700 -0.020 0.000 2.593 583 S HA 0.661 5.125 4.470 -0.010 0.000 0.269 583 S C 0.892 175.441 174.600 -0.086 0.000 1.334 583 S CA 0.505 58.668 58.200 -0.062 0.000 1.015 583 S CB 1.777 64.978 63.200 0.001 0.000 0.912 583 S HN 1.651 nan 8.310 nan 0.000 0.541 584 G N -0.530 108.177 108.800 -0.155 0.000 2.531 584 G HA2 0.478 4.433 3.960 -0.010 0.000 0.313 584 G HA3 0.478 4.433 3.960 -0.010 0.000 0.313 584 G C -0.804 173.980 174.900 -0.193 0.000 1.238 584 G CA -1.126 43.755 45.100 -0.364 0.000 0.994 584 G HN 1.024 nan 8.290 nan 0.000 0.493 585 Y N -2.206 118.099 120.300 0.009 0.000 4.079 585 Y HA -0.235 4.309 4.550 -0.010 0.000 0.223 585 Y C 1.262 177.181 175.900 0.032 0.000 1.155 585 Y CA 1.043 59.159 58.100 0.026 0.000 1.805 585 Y CB -1.996 36.495 38.460 0.052 0.000 1.571 585 Y HN 0.521 nan 8.280 nan 0.000 0.654 586 Q N -0.143 119.702 119.800 0.076 0.000 2.055 586 Q HA 0.474 4.808 4.340 -0.010 0.000 0.226 586 Q C 0.833 176.817 176.000 -0.026 0.000 0.805 586 Q CA 0.129 55.991 55.803 0.099 0.000 1.072 586 Q CB 1.730 30.513 28.738 0.075 0.000 1.219 586 Q HN 0.588 nan 8.270 nan 0.000 0.451 587 G N 0.828 109.491 108.800 -0.228 0.000 2.662 587 G HA2 -0.181 3.773 3.960 -0.010 0.000 0.686 587 G HA3 -0.181 3.773 3.960 -0.010 0.000 0.686 587 G C -0.524 174.046 174.900 -0.550 0.000 1.271 587 G CA -0.537 44.146 45.100 -0.696 0.000 0.816 587 G HN 0.120 nan 8.290 nan 0.000 0.608 588 D N -0.114 119.896 120.400 -0.649 0.000 2.277 588 D HA -0.004 4.630 4.640 -0.010 0.000 0.208 588 D C 2.209 178.215 176.300 -0.489 0.000 0.962 588 D CA 1.226 54.799 54.000 -0.712 0.000 0.865 588 D CB 0.086 40.404 40.800 -0.804 0.000 0.939 588 D HN 0.531 nan 8.370 nan 0.000 0.510 589 K N 0.855 121.027 120.400 -0.379 0.000 2.032 589 K HA -0.092 4.222 4.320 -0.010 0.000 0.209 589 K C 1.868 178.381 176.600 -0.145 0.000 1.048 589 K CA 1.052 57.206 56.287 -0.221 0.000 0.927 589 K CB -0.268 32.116 32.500 -0.193 0.000 0.712 589 K HN 0.095 nan 8.250 nan 0.000 0.441 590 I N -0.107 120.372 120.570 -0.152 0.000 2.235 590 I HA -0.173 3.991 4.170 -0.010 0.000 0.241 590 I C 2.600 178.691 176.117 -0.043 0.000 1.085 590 I CA 1.156 62.433 61.300 -0.039 0.000 1.378 590 I CB -0.180 37.819 38.000 -0.001 0.000 1.076 590 I HN 0.285 nan 8.210 nan 0.000 0.415 591 M N 0.140 119.646 119.600 -0.156 0.000 2.080 591 M HA -0.268 4.206 4.480 -0.010 0.000 0.260 591 M C 1.889 178.201 176.300 0.020 0.000 1.068 591 M CA 2.034 57.261 55.300 -0.122 0.000 1.109 591 M CB -0.380 32.060 32.600 -0.267 0.000 1.342 591 M HN 0.289 nan 8.290 nan 0.000 0.405 592 H N -0.764 118.187 119.070 -0.199 0.000 2.553 592 H HA 0.149 4.699 4.556 -0.010 0.000 0.269 592 H C 1.788 177.120 175.328 0.007 0.000 1.011 592 H CA 0.039 55.979 56.048 -0.181 0.000 1.150 592 H CB 0.086 29.648 29.762 -0.334 0.000 1.339 592 H HN 0.516 nan 8.280 nan 0.000 0.604 593 A N 1.406 124.314 122.820 0.147 0.000 1.972 593 A HA -0.142 4.172 4.320 -0.010 0.000 0.219 593 A C 1.860 179.628 177.584 0.307 0.000 1.169 593 A CA 1.213 53.347 52.037 0.162 0.000 0.635 593 A CB -0.426 18.628 19.000 0.090 0.000 0.810 593 A HN 0.428 nan 8.150 nan 0.000 0.446 594 I N -1.845 118.890 120.570 0.275 0.000 3.861 594 I HA 0.155 4.319 4.170 -0.010 0.000 0.329 594 I C 0.378 176.592 176.117 0.161 0.000 1.321 594 I CA -0.886 60.552 61.300 0.230 0.000 1.126 594 I CB -1.089 37.008 38.000 0.161 0.000 1.018 594 I HN 0.223 nan 8.210 nan 0.000 0.407 595 N N 2.956 121.787 118.700 0.220 0.000 2.411 595 N HA -0.052 4.682 4.740 -0.010 0.000 0.261 595 N C 0.315 175.861 175.510 0.061 0.000 1.248 595 N CA 0.214 53.390 53.050 0.210 0.000 0.885 595 N CB 0.308 38.891 38.487 0.160 0.000 1.062 595 N HN 0.359 nan 8.380 nan 0.000 0.471 596 R N 0.754 121.265 120.500 0.018 0.000 3.994 596 R HA -0.151 4.183 4.340 -0.010 0.000 0.403 596 R C -0.263 175.931 176.300 -0.178 0.000 1.126 596 R CA 0.908 56.973 56.100 -0.059 0.000 1.143 596 R CB -0.756 29.524 30.300 -0.033 0.000 1.695 596 R HN 0.668 nan 8.270 nan 0.000 0.555 597 R N 0.415 120.805 120.500 -0.184 0.000 2.711 597 R HA 0.202 4.536 4.340 -0.010 0.000 0.350 597 R C -0.693 175.569 176.300 -0.064 0.000 1.146 597 R CA -0.591 55.282 56.100 -0.379 0.000 1.190 597 R CB 0.411 30.483 30.300 -0.380 0.000 1.312 597 R HN -0.099 nan 8.270 nan 0.000 0.635 598 L N 0.267 121.521 121.223 0.052 0.000 2.483 598 L HA 0.199 4.533 4.340 -0.010 0.000 0.276 598 L C 1.556 178.660 176.870 0.390 0.000 1.213 598 L CA 1.548 56.474 54.840 0.142 0.000 0.843 598 L CB 0.357 42.307 42.059 -0.182 0.000 1.107 598 L HN 0.747 nan 8.230 nan 0.000 0.487 599 G N 0.690 109.762 108.800 0.455 0.000 2.147 599 G HA2 -0.309 3.645 3.960 -0.010 0.000 0.244 599 G HA3 -0.309 3.645 3.960 -0.010 0.000 0.244 599 G C 0.587 175.590 174.900 0.172 0.000 1.005 599 G CA 0.975 46.300 45.100 0.374 0.000 0.713 599 G HN 0.924 nan 8.290 nan 0.000 0.515 600 T N -3.867 110.746 114.554 0.099 0.000 3.463 600 T HA 0.441 4.785 4.350 -0.010 0.000 0.203 600 T C 1.694 176.374 174.700 -0.033 0.000 0.955 600 T CA 0.986 63.036 62.100 -0.083 0.000 1.230 600 T CB -0.012 68.628 68.868 -0.380 0.000 1.392 600 T HN 0.121 nan 8.240 nan 0.000 0.361 601 F N 3.448 123.448 119.950 0.083 0.000 2.186 601 F HA 0.128 4.649 4.527 -0.010 0.000 0.299 601 F C 2.802 178.638 175.800 0.060 0.000 1.090 601 F CA 1.136 59.170 58.000 0.056 0.000 1.307 601 F CB -0.583 38.445 39.000 0.047 0.000 1.019 601 F HN 0.479 nan 8.300 nan 0.000 0.489 602 E N 0.675 121.035 120.200 0.266 0.000 2.204 602 E HA -0.112 4.232 4.350 -0.010 0.000 0.194 602 E C 2.091 178.800 176.600 0.183 0.000 0.989 602 E CA 1.274 57.800 56.400 0.210 0.000 0.824 602 E CB -1.078 28.751 29.700 0.216 0.000 0.756 602 E HN 0.283 nan 8.360 nan 0.000 0.477 603 V N 1.894 121.899 119.914 0.152 0.000 2.239 603 V HA -0.227 3.887 4.120 -0.010 0.000 0.242 603 V C 2.374 178.514 176.094 0.076 0.000 1.038 603 V CA 2.140 64.489 62.300 0.081 0.000 1.002 603 V CB -0.717 31.116 31.823 0.018 0.000 0.641 603 V HN 0.210 nan 8.190 nan 0.000 0.449 604 E N 0.210 120.465 120.200 0.092 0.000 2.147 604 E HA -0.295 4.049 4.350 -0.010 0.000 0.199 604 E C 1.875 178.502 176.600 0.045 0.000 1.005 604 E CA 1.748 58.198 56.400 0.082 0.000 0.810 604 E CB -0.228 29.557 29.700 0.142 0.000 0.736 604 E HN 0.595 nan 8.360 nan 0.000 0.460 605 D N -0.010 120.429 120.400 0.064 0.000 2.149 605 D HA -0.105 4.529 4.640 -0.010 0.000 0.201 605 D C 2.023 178.298 176.300 -0.042 0.000 0.972 605 D CA 0.658 54.662 54.000 0.005 0.000 0.835 605 D CB -0.106 40.734 40.800 0.067 0.000 0.966 605 D HN 0.087 nan 8.370 nan 0.000 0.476 606 Q N 0.271 120.110 119.800 0.065 0.000 2.084 606 Q HA -0.066 4.268 4.340 -0.010 0.000 0.202 606 Q C 2.538 178.570 176.000 0.054 0.000 0.978 606 Q CA 0.627 56.476 55.803 0.076 0.000 0.844 606 Q CB -0.229 28.587 28.738 0.131 0.000 0.898 606 Q HN 0.423 nan 8.270 nan 0.000 0.426 607 I N 0.606 121.223 120.570 0.079 0.000 2.226 607 I HA -0.254 3.911 4.170 -0.010 0.000 0.245 607 I C 2.366 178.432 176.117 -0.085 0.000 1.100 607 I CA 1.128 62.498 61.300 0.115 0.000 1.374 607 I CB -0.171 37.890 38.000 0.102 0.000 1.057 607 I HN 0.136 nan 8.210 nan 0.000 0.413 608 E N 1.383 121.486 120.200 -0.163 0.000 2.106 608 E HA -0.176 4.168 4.350 -0.010 0.000 0.192 608 E C 2.123 178.426 176.600 -0.494 0.000 0.984 608 E CA 1.514 57.754 56.400 -0.266 0.000 0.806 608 E CB -0.185 29.385 29.700 -0.218 0.000 0.750 608 E HN 0.406 nan 8.360 nan 0.000 0.458 609 A N 0.826 123.209 122.820 -0.728 0.000 1.908 609 A HA -0.132 4.182 4.320 -0.010 0.000 0.218 609 A C 2.450 179.309 177.584 -1.208 0.000 1.181 609 A CA 2.292 53.560 52.037 -1.281 0.000 0.627 609 A CB -1.072 17.023 19.000 -1.507 0.000 0.818 609 A HN 0.379 nan 8.150 nan 0.000 0.445 610 A N -0.472 122.025 122.820 -0.539 0.000 1.933 610 A HA -0.146 4.168 4.320 -0.010 0.000 0.218 610 A C 2.247 179.632 177.584 -0.332 0.000 1.175 610 A CA 1.440 53.307 52.037 -0.285 0.000 0.628 610 A CB -0.441 18.424 19.000 -0.224 0.000 0.814 610 A HN 0.562 nan 8.150 nan 0.000 0.444 611 R N -0.687 119.604 120.500 -0.348 0.000 2.073 611 R HA -0.124 4.210 4.340 -0.010 0.000 0.234 611 R C 2.413 178.535 176.300 -0.298 0.000 1.134 611 R CA 1.427 57.361 56.100 -0.277 0.000 0.952 611 R CB -0.337 29.829 30.300 -0.223 0.000 0.850 611 R HN 0.574 nan 8.270 nan 0.000 0.433 612 Q N 0.076 119.621 119.800 -0.425 0.000 2.061 612 Q HA -0.154 4.180 4.340 -0.010 0.000 0.204 612 Q C 2.091 177.904 176.000 -0.313 0.000 0.984 612 Q CA 1.498 57.059 55.803 -0.403 0.000 0.846 612 Q CB -0.349 28.070 28.738 -0.532 0.000 0.902 612 Q HN 0.290 nan 8.270 nan 0.000 0.421 613 F N 0.943 120.709 119.950 -0.307 0.000 2.171 613 F HA -0.130 4.391 4.527 -0.010 0.000 0.300 613 F C 2.723 178.318 175.800 -0.342 0.000 1.090 613 F CA 1.087 58.891 58.000 -0.326 0.000 1.293 613 F CB -1.250 37.605 39.000 -0.241 0.000 1.013 613 F HN 0.037 nan 8.300 nan 0.000 0.486 614 S N -0.357 115.284 115.700 -0.099 0.000 2.402 614 S HA -0.190 4.274 4.470 -0.010 0.000 0.229 614 S C 2.139 176.634 174.600 -0.174 0.000 1.021 614 S CA 1.155 59.268 58.200 -0.145 0.000 0.974 614 S CB -0.274 62.839 63.200 -0.145 0.000 0.800 614 S HN 0.373 nan 8.310 nan 0.000 0.484 615 K N -0.000 120.295 120.400 -0.175 0.000 2.365 615 K HA 0.147 4.461 4.320 -0.010 0.000 0.199 615 K C 1.940 178.439 176.600 -0.169 0.000 1.045 615 K CA 0.714 56.909 56.287 -0.153 0.000 0.962 615 K CB -0.109 32.307 32.500 -0.141 0.000 0.759 615 K HN 0.433 nan 8.250 nan 0.000 0.469 616 M N -0.960 118.491 119.600 -0.248 0.000 2.374 616 M HA -0.033 4.441 4.480 -0.010 0.000 0.264 616 M C 1.164 177.260 176.300 -0.340 0.000 1.067 616 M CA 1.400 56.509 55.300 -0.318 0.000 1.103 616 M CB 0.262 32.554 32.600 -0.513 0.000 1.402 616 M HN 0.470 nan 8.290 nan 0.000 0.444 617 G N 0.554 109.161 108.800 -0.322 0.000 2.175 617 G HA2 -0.274 3.680 3.960 -0.010 0.000 0.244 617 G HA3 -0.274 3.680 3.960 -0.010 0.000 0.244 617 G C 0.328 175.203 174.900 -0.042 0.000 0.982 617 G CA 0.184 45.197 45.100 -0.147 0.000 0.641 617 G HN 0.649 nan 8.290 nan 0.000 0.527 618 F N -0.589 119.411 119.950 0.083 0.000 2.791 618 F HA 0.781 5.302 4.527 -0.010 0.000 0.308 618 F C -0.086 175.821 175.800 0.177 0.000 1.138 618 F CA -1.088 56.992 58.000 0.133 0.000 1.294 618 F CB 0.562 39.692 39.000 0.216 0.000 0.975 618 F HN 0.048 nan 8.300 nan 0.000 0.512 619 V N 1.195 121.159 119.914 0.082 0.000 2.540 619 V HA 0.219 4.333 4.120 -0.010 0.000 0.302 619 V C -0.857 175.234 176.094 -0.005 0.000 1.035 619 V CA -0.672 61.671 62.300 0.072 0.000 0.873 619 V CB 1.799 33.607 31.823 -0.024 0.000 0.992 619 V HN 0.142 nan 8.190 nan 0.000 0.428 620 D N 3.873 124.259 120.400 -0.024 0.000 2.374 620 D HA 0.043 4.677 4.640 -0.010 0.000 0.240 620 D C 1.120 177.366 176.300 -0.091 0.000 1.229 620 D CA -0.190 53.764 54.000 -0.075 0.000 0.895 620 D CB 0.626 41.358 40.800 -0.113 0.000 1.046 620 D HN 0.645 nan 8.370 nan 0.000 0.498 621 N N 3.235 121.886 118.700 -0.082 0.000 2.571 621 N HA -0.123 4.611 4.740 -0.010 0.000 0.189 621 N C 0.597 176.062 175.510 -0.076 0.000 1.154 621 N CA 0.566 53.561 53.050 -0.092 0.000 0.907 621 N CB -0.043 38.383 38.487 -0.102 0.000 0.977 621 N HN 0.330 nan 8.380 nan 0.000 0.449 622 K N -0.220 120.142 120.400 -0.063 0.000 2.444 622 K HA 0.175 4.489 4.320 -0.010 0.000 0.193 622 K C 0.106 176.701 176.600 -0.010 0.000 1.024 622 K CA 0.166 56.434 56.287 -0.032 0.000 1.077 622 K CB 0.427 32.911 32.500 -0.027 0.000 0.833 622 K HN 0.177 nan 8.250 nan 0.000 0.517 623 R N 1.218 121.678 120.500 -0.067 0.000 2.674 623 R HA 0.341 4.675 4.340 -0.010 0.000 0.270 623 R C -1.006 175.206 176.300 -0.147 0.000 1.492 623 R CA -0.129 55.894 56.100 -0.129 0.000 1.624 623 R CB 0.591 30.619 30.300 -0.453 0.000 1.307 623 R HN -0.002 nan 8.270 nan 0.000 0.683 624 I N 0.977 121.623 120.570 0.126 0.000 2.406 624 I HA 0.570 4.734 4.170 -0.010 0.000 0.290 624 I C 0.113 176.550 176.117 0.533 0.000 0.999 624 I CA -0.704 60.721 61.300 0.209 0.000 1.124 624 I CB 1.912 39.873 38.000 -0.065 0.000 1.289 624 I HN 0.270 nan 8.210 nan 0.000 0.441 625 A N 6.833 130.073 122.820 0.699 0.000 2.389 625 A HA 0.956 5.270 4.320 -0.010 0.000 0.293 625 A C -1.087 176.865 177.584 0.613 0.000 1.186 625 A CA -0.688 51.739 52.037 0.650 0.000 0.828 625 A CB 2.093 21.352 19.000 0.432 0.000 1.369 625 A HN 0.721 nan 8.150 nan 0.000 0.446 626 I N -0.179 120.623 120.570 0.386 0.000 2.743 626 I HA 0.621 4.785 4.170 -0.010 0.000 0.292 626 I C -2.051 174.296 176.117 0.384 0.000 1.343 626 I CA -0.439 61.002 61.300 0.234 0.000 1.038 626 I CB 1.596 39.391 38.000 -0.342 0.000 1.311 626 I HN 0.967 nan 8.210 nan 0.000 0.426 627 W N 6.794 128.204 121.300 0.183 0.000 3.074 627 W HA 0.881 5.535 4.660 -0.010 0.000 0.332 627 W C -1.363 175.289 176.519 0.222 0.000 1.253 627 W CA -0.896 56.568 57.345 0.199 0.000 1.180 627 W CB 1.004 30.626 29.460 0.270 0.000 1.445 627 W HN 0.867 nan 8.180 nan 0.000 0.573 628 G N 0.211 108.941 108.800 -0.117 0.000 2.523 628 G HA2 0.460 4.414 3.960 -0.010 0.000 0.291 628 G HA3 0.460 4.414 3.960 -0.010 0.000 0.291 628 G C -2.802 172.047 174.900 -0.086 0.000 1.450 628 G CA -0.754 44.133 45.100 -0.356 0.000 0.790 628 G HN 0.626 nan 8.290 nan 0.000 0.496 629 W N 0.896 122.045 121.300 -0.251 0.000 2.761 629 W HA 0.564 5.218 4.660 -0.010 0.000 0.340 629 W C 0.878 177.369 176.519 -0.046 0.000 1.072 629 W CA 0.531 57.801 57.345 -0.124 0.000 1.215 629 W CB 1.739 31.114 29.460 -0.141 0.000 1.420 629 W HN 1.219 nan 8.180 nan 0.000 0.519 630 S N 1.788 117.706 115.700 0.364 0.000 4.114 630 S HA -0.437 4.027 4.470 -0.010 0.000 0.618 630 S C 0.879 175.602 174.600 0.205 0.000 1.937 630 S CA 1.556 59.958 58.200 0.336 0.000 4.228 630 S CB -1.573 61.873 63.200 0.411 0.000 0.216 630 S HN 0.752 nan 8.310 nan 0.000 0.528 631 Y N 3.115 123.505 120.300 0.150 0.000 2.193 631 Y HA -0.102 4.442 4.550 -0.010 0.000 0.285 631 Y C 2.556 178.652 175.900 0.328 0.000 1.166 631 Y CA 2.246 60.529 58.100 0.305 0.000 1.181 631 Y CB -0.988 37.760 38.460 0.480 0.000 0.976 631 Y HN 0.601 nan 8.280 nan 0.000 0.520 632 G N -0.934 108.125 108.800 0.432 0.000 2.442 632 G HA2 -0.275 3.679 3.960 -0.010 0.000 0.219 632 G HA3 -0.275 3.679 3.960 -0.010 0.000 0.219 632 G C 1.870 176.861 174.900 0.152 0.000 1.141 632 G CA 0.824 46.090 45.100 0.277 0.000 0.763 632 G HN 0.570 nan 8.290 nan 0.000 0.554 633 G N -0.333 108.539 108.800 0.119 0.000 2.408 633 G HA2 -0.205 3.749 3.960 -0.010 0.000 0.217 633 G HA3 -0.205 3.749 3.960 -0.010 0.000 0.217 633 G C 1.564 176.511 174.900 0.078 0.000 1.150 633 G CA 1.011 46.152 45.100 0.068 0.000 0.776 633 G HN 0.493 nan 8.290 nan 0.000 0.542 634 Y N 1.101 121.351 120.300 -0.084 0.000 2.114 634 Y HA -0.168 4.376 4.550 -0.010 0.000 0.284 634 Y C 2.817 178.670 175.900 -0.079 0.000 1.143 634 Y CA 1.871 59.870 58.100 -0.169 0.000 1.135 634 Y CB -0.221 38.001 38.460 -0.396 0.000 0.980 634 Y HN 0.031 nan 8.280 nan 0.000 0.499 635 V N -0.053 119.775 119.914 -0.143 0.000 2.295 635 V HA -0.342 3.772 4.120 -0.010 0.000 0.246 635 V C 2.308 178.315 176.094 -0.145 0.000 1.049 635 V CA 2.393 64.598 62.300 -0.159 0.000 1.024 635 V CB -1.205 30.697 31.823 0.131 0.000 0.648 635 V HN 0.516 nan 8.190 nan 0.000 0.447 636 T N 0.087 114.611 114.554 -0.050 0.000 2.665 636 T HA -0.226 4.118 4.350 -0.010 0.000 0.268 636 T C 2.133 176.784 174.700 -0.082 0.000 1.035 636 T CA 2.158 64.229 62.100 -0.049 0.000 1.151 636 T CB -0.310 68.601 68.868 0.072 0.000 0.862 636 T HN 0.548 nan 8.240 nan 0.000 0.438 637 S N 0.987 116.670 115.700 -0.027 0.000 2.368 637 S HA -0.016 4.448 4.470 -0.010 0.000 0.225 637 S C 2.140 176.672 174.600 -0.114 0.000 1.030 637 S CA 0.940 59.144 58.200 0.007 0.000 0.999 637 S CB -0.277 62.975 63.200 0.087 0.000 0.844 637 S HN 0.337 nan 8.310 nan 0.000 0.459 638 M N 0.948 120.400 119.600 -0.246 0.000 2.159 638 M HA -0.022 4.452 4.480 -0.010 0.000 0.263 638 M C 2.192 178.355 176.300 -0.229 0.000 1.063 638 M CA 1.062 56.202 55.300 -0.268 0.000 1.110 638 M CB -1.362 30.984 32.600 -0.423 0.000 1.374 638 M HN 0.184 nan 8.290 nan 0.000 0.411 639 V N 0.586 120.358 119.914 -0.236 0.000 2.358 639 V HA -0.221 3.893 4.120 -0.010 0.000 0.246 639 V C 2.513 178.441 176.094 -0.277 0.000 1.047 639 V CA 1.283 63.450 62.300 -0.220 0.000 1.035 639 V CB -0.651 30.996 31.823 -0.293 0.000 0.658 639 V HN 0.398 nan 8.190 nan 0.000 0.452 640 L N 0.520 121.502 121.223 -0.403 0.000 2.131 640 L HA -0.069 4.265 4.340 -0.010 0.000 0.210 640 L C 2.145 178.501 176.870 -0.857 0.000 1.092 640 L CA 1.563 56.055 54.840 -0.579 0.000 0.759 640 L CB -0.698 40.946 42.059 -0.693 0.000 0.903 640 L HN 0.498 nan 8.230 nan 0.000 0.435 641 G N -1.460 106.837 108.800 -0.839 0.000 3.371 641 G HA2 0.003 3.957 3.960 -0.010 0.000 0.248 641 G HA3 0.003 3.957 3.960 -0.010 0.000 0.248 641 G C 1.382 176.139 174.900 -0.239 0.000 1.161 641 G CA 0.521 45.261 45.100 -0.599 0.000 0.796 641 G HN 0.409 nan 8.290 nan 0.000 0.539 642 S N -0.697 114.882 115.700 -0.201 0.000 2.496 642 S HA 0.280 4.744 4.470 -0.010 0.000 0.224 642 S C 1.946 176.508 174.600 -0.063 0.000 0.996 642 S CA 0.958 59.100 58.200 -0.097 0.000 0.927 642 S CB -0.112 63.050 63.200 -0.063 0.000 0.774 642 S HN 1.353 nan 8.310 nan 0.000 0.524 643 G N 1.506 110.260 108.800 -0.077 0.000 2.179 643 G HA2 -0.343 3.611 3.960 -0.010 0.000 0.257 643 G HA3 -0.343 3.611 3.960 -0.010 0.000 0.257 643 G C 0.940 175.829 174.900 -0.019 0.000 1.010 643 G CA 0.976 46.051 45.100 -0.042 0.000 0.736 643 G HN 1.232 nan 8.290 nan 0.000 0.513 644 S N -0.800 114.898 115.700 -0.004 0.000 2.406 644 S HA 0.297 4.761 4.470 -0.010 0.000 0.228 644 S C 2.559 177.156 174.600 -0.005 0.000 1.020 644 S CA 1.786 59.992 58.200 0.010 0.000 0.965 644 S CB -0.229 63.004 63.200 0.055 0.000 0.798 644 S HN 2.426 nan 8.310 nan 0.000 0.488 645 G N -0.131 108.672 108.800 0.005 0.000 2.179 645 G HA2 -0.286 3.668 3.960 -0.010 0.000 0.260 645 G HA3 -0.286 3.668 3.960 -0.010 0.000 0.260 645 G C 0.810 175.684 174.900 -0.043 0.000 0.977 645 G CA 0.431 45.524 45.100 -0.011 0.000 0.641 645 G HN 0.730 nan 8.290 nan 0.000 0.533 646 V N -0.396 119.470 119.914 -0.080 0.000 2.591 646 V HA 0.276 4.390 4.120 -0.010 0.000 0.249 646 V C 1.162 177.018 176.094 -0.397 0.000 1.053 646 V CA 1.428 63.557 62.300 -0.285 0.000 1.068 646 V CB -0.321 31.235 31.823 -0.444 0.000 0.689 646 V HN 0.302 nan 8.190 nan 0.000 0.462 647 F N -0.078 119.884 119.950 0.020 0.000 2.436 647 F HA 0.387 4.908 4.527 -0.010 0.000 0.340 647 F C 1.114 176.957 175.800 0.072 0.000 1.113 647 F CA -0.470 57.568 58.000 0.064 0.000 1.022 647 F CB 1.528 40.566 39.000 0.064 0.000 1.128 647 F HN -0.254 nan 8.300 nan 0.000 0.466 648 K N 1.830 122.401 120.400 0.285 0.000 2.076 648 K HA 0.041 4.355 4.320 -0.010 0.000 0.204 648 K C 0.055 176.790 176.600 0.225 0.000 1.051 648 K CA 1.120 57.537 56.287 0.216 0.000 0.949 648 K CB 0.221 32.857 32.500 0.227 0.000 0.726 648 K HN 0.798 nan 8.250 nan 0.000 0.443 649 c N -3.087 115.686 118.600 0.288 0.000 3.320 649 c HA 0.878 5.442 4.570 -0.010 0.000 0.335 649 c C -0.358 173.945 174.090 0.355 0.000 1.430 649 c CA -0.575 55.933 56.329 0.298 0.000 1.271 649 c CB 1.105 43.730 42.510 0.190 0.000 1.609 649 c HN 0.360 nan 8.230 nan 0.000 0.457 650 G N 0.114 109.187 108.800 0.455 0.000 2.703 650 G HA2 0.689 4.643 3.960 -0.010 0.000 0.294 650 G HA3 0.689 4.643 3.960 -0.010 0.000 0.294 650 G C -1.844 173.294 174.900 0.398 0.000 1.451 650 G CA -0.694 44.650 45.100 0.407 0.000 0.869 650 G HN 0.996 nan 8.290 nan 0.000 0.516 651 I N 0.928 121.690 120.570 0.320 0.000 2.433 651 I HA 0.632 4.796 4.170 -0.010 0.000 0.292 651 I C 0.290 176.524 176.117 0.195 0.000 1.001 651 I CA -0.940 60.427 61.300 0.112 0.000 1.119 651 I CB 2.175 40.200 38.000 0.041 0.000 1.289 651 I HN 0.609 nan 8.210 nan 0.000 0.438 652 A N 6.458 129.291 122.820 0.022 0.000 2.304 652 A HA 0.749 5.063 4.320 -0.010 0.000 0.314 652 A C -0.744 176.737 177.584 -0.173 0.000 1.187 652 A CA -0.511 51.542 52.037 0.026 0.000 0.810 652 A CB 1.151 20.236 19.000 0.141 0.000 1.183 652 A HN 0.451 nan 8.150 nan 0.000 0.487 653 V N 2.142 121.889 119.914 -0.278 0.000 2.398 653 V HA 0.561 4.675 4.120 -0.010 0.000 0.286 653 V C 0.989 176.612 176.094 -0.786 0.000 1.026 653 V CA 0.311 62.198 62.300 -0.688 0.000 0.868 653 V CB 0.800 31.866 31.823 -1.261 0.000 0.982 653 V HN 2.082 nan 8.190 nan 0.000 0.443 654 A N 5.758 128.112 122.820 -0.777 0.000 2.415 654 A HA -0.108 4.206 4.320 -0.010 0.000 0.292 654 A C -1.757 175.610 177.584 -0.361 0.000 1.452 654 A CA 0.357 51.852 52.037 -0.903 0.000 0.750 654 A CB -1.541 17.000 19.000 -0.765 0.000 1.099 654 A HN 0.624 nan 8.150 nan 0.000 0.391 655 P HA 0.421 nan 4.420 nan 0.000 0.277 655 P C 0.134 177.388 177.300 -0.076 0.000 1.240 655 P CA -0.236 62.821 63.100 -0.072 0.000 0.798 655 P CB 1.232 32.924 31.700 -0.012 0.000 0.979 656 V N 2.180 121.974 119.914 -0.200 0.000 2.614 656 V HA 0.091 4.205 4.120 -0.010 0.000 0.291 656 V C 1.719 177.631 176.094 -0.304 0.000 1.049 656 V CA 0.857 62.903 62.300 -0.423 0.000 1.038 656 V CB 0.710 31.922 31.823 -1.018 0.000 0.980 656 V HN 0.827 nan 8.190 nan 0.000 0.481 657 S N 3.811 119.356 115.700 -0.259 0.000 2.554 657 S HA 0.315 4.779 4.470 -0.010 0.000 0.227 657 S C 0.565 174.997 174.600 -0.280 0.000 1.050 657 S CA -0.354 57.762 58.200 -0.141 0.000 0.927 657 S CB 0.383 63.564 63.200 -0.032 0.000 0.859 657 S HN 0.680 nan 8.310 nan 0.000 0.494 658 R N -0.847 119.349 120.500 -0.505 0.000 2.522 658 R HA 0.291 4.625 4.340 -0.010 0.000 0.273 658 R C -1.133 174.845 176.300 -0.537 0.000 1.133 658 R CA -0.622 55.138 56.100 -0.567 0.000 0.969 658 R CB 0.506 30.326 30.300 -0.801 0.000 1.235 658 R HN 0.281 nan 8.270 nan 0.000 0.433 659 W N 1.949 123.174 121.300 -0.125 0.000 2.392 659 W HA -0.058 4.596 4.660 -0.009 0.000 0.279 659 W C 1.264 177.920 176.519 0.228 0.000 1.225 659 W CA 0.607 57.978 57.345 0.043 0.000 1.233 659 W CB 0.360 29.781 29.460 -0.066 0.000 1.122 659 W HN 0.687 nan 8.180 nan 0.000 0.561 660 E N -0.985 119.387 120.200 0.286 0.000 2.472 660 E HA -0.171 4.173 4.350 -0.010 0.000 0.200 660 E C 1.182 177.963 176.600 0.302 0.000 1.046 660 E CA 0.843 57.370 56.400 0.212 0.000 0.871 660 E CB -0.330 29.399 29.700 0.048 0.000 0.806 660 E HN 0.356 nan 8.360 nan 0.000 0.533 661 Y N -1.502 118.904 120.300 0.176 0.000 2.510 661 Y HA 0.114 4.658 4.550 -0.010 0.000 0.273 661 Y C 0.626 176.654 175.900 0.214 0.000 1.119 661 Y CA -0.509 57.671 58.100 0.132 0.000 1.286 661 Y CB -0.403 38.079 38.460 0.036 0.000 1.061 661 Y HN 0.026 nan 8.280 nan 0.000 0.542 662 Y N 2.030 122.509 120.300 0.298 0.000 2.392 662 Y HA 0.291 4.835 4.550 -0.010 0.000 0.323 662 Y C 0.292 176.434 175.900 0.404 0.000 1.291 662 Y CA -2.127 56.158 58.100 0.308 0.000 1.345 662 Y CB 0.372 39.029 38.460 0.329 0.000 1.320 662 Y HN 0.191 nan 8.280 nan 0.000 0.518 663 D N -0.429 119.681 120.400 -0.482 0.000 2.400 663 D HA 0.053 4.687 4.640 -0.010 0.000 0.238 663 D C 0.878 177.151 176.300 -0.045 0.000 1.157 663 D CA 0.474 54.258 54.000 -0.360 0.000 0.889 663 D CB 0.873 41.267 40.800 -0.675 0.000 1.199 663 D HN 0.476 nan 8.370 nan 0.000 0.436 664 S N 1.222 116.908 115.700 -0.023 0.000 2.383 664 S HA -0.179 4.285 4.470 -0.010 0.000 0.227 664 S C 1.857 176.478 174.600 0.035 0.000 1.026 664 S CA 0.899 59.140 58.200 0.069 0.000 0.981 664 S CB -0.753 62.497 63.200 0.083 0.000 0.818 664 S HN 0.423 nan 8.310 nan 0.000 0.472 665 V N 0.698 120.572 119.914 -0.067 0.000 2.295 665 V HA -0.138 3.976 4.120 -0.010 0.000 0.246 665 V C 2.282 178.278 176.094 -0.163 0.000 1.049 665 V CA 2.074 64.242 62.300 -0.220 0.000 1.024 665 V CB -0.988 30.560 31.823 -0.458 0.000 0.648 665 V HN 0.607 nan 8.190 nan 0.000 0.447 666 Y N 1.227 121.454 120.300 -0.122 0.000 2.184 666 Y HA -0.198 4.346 4.550 -0.010 0.000 0.290 666 Y C 2.672 178.539 175.900 -0.055 0.000 1.129 666 Y CA 2.233 60.325 58.100 -0.013 0.000 1.144 666 Y CB -0.444 38.204 38.460 0.313 0.000 0.995 666 Y HN 0.219 nan 8.280 nan 0.000 0.513 667 T N 0.240 114.941 114.554 0.244 0.000 2.701 667 T HA -0.176 4.169 4.350 -0.010 0.000 0.263 667 T C 1.557 176.193 174.700 -0.106 0.000 1.040 667 T CA 1.866 64.057 62.100 0.151 0.000 1.147 667 T CB -0.306 68.835 68.868 0.455 0.000 0.865 667 T HN 0.393 nan 8.240 nan 0.000 0.426 668 E N 0.707 120.889 120.200 -0.030 0.000 2.153 668 E HA -0.113 4.231 4.350 -0.010 0.000 0.194 668 E C 2.325 178.792 176.600 -0.222 0.000 0.988 668 E CA 0.537 56.916 56.400 -0.035 0.000 0.811 668 E CB -0.136 29.596 29.700 0.053 0.000 0.746 668 E HN 0.305 nan 8.360 nan 0.000 0.466 669 R N 0.009 120.220 120.500 -0.483 0.000 2.119 669 R HA -0.219 4.115 4.340 -0.010 0.000 0.246 669 R C 1.238 177.022 176.300 -0.861 0.000 1.146 669 R CA 1.795 57.416 56.100 -0.799 0.000 0.962 669 R CB -0.043 29.426 30.300 -1.385 0.000 0.863 669 R HN 0.286 nan 8.270 nan 0.000 0.442 670 Y N -2.523 117.469 120.300 -0.514 0.000 2.498 670 Y HA 0.208 4.752 4.550 -0.010 0.000 0.259 670 Y C 1.732 177.439 175.900 -0.322 0.000 1.086 670 Y CA -0.058 57.735 58.100 -0.512 0.000 1.287 670 Y CB 0.369 38.395 38.460 -0.723 0.000 1.146 670 Y HN -0.050 nan 8.280 nan 0.000 0.523 671 M N -0.357 119.119 119.600 -0.207 0.000 2.367 671 M HA 0.357 4.831 4.480 -0.010 0.000 0.256 671 M C 1.191 177.483 176.300 -0.013 0.000 1.091 671 M CA 0.791 55.959 55.300 -0.221 0.000 1.049 671 M CB -0.539 31.742 32.600 -0.532 0.000 1.406 671 M HN 0.353 nan 8.290 nan 0.000 0.498 672 G N 1.713 110.529 108.800 0.026 0.000 2.601 672 G HA2 -0.218 3.736 3.960 -0.010 0.000 0.252 672 G HA3 -0.218 3.736 3.960 -0.010 0.000 0.252 672 G C -0.684 174.345 174.900 0.215 0.000 1.294 672 G CA -0.726 44.434 45.100 0.100 0.000 0.912 672 G HN 0.256 nan 8.290 nan 0.000 0.574 673 L N 2.526 123.854 121.223 0.175 0.000 2.343 673 L HA 0.544 4.878 4.340 -0.010 0.000 0.275 673 L C -1.396 175.510 176.870 0.060 0.000 1.056 673 L CA -2.006 52.904 54.840 0.116 0.000 0.804 673 L CB 1.204 43.289 42.059 0.043 0.000 1.203 673 L HN 0.428 nan 8.230 nan 0.000 0.440 674 P HA 0.130 nan 4.420 nan 0.000 0.220 674 P C -0.820 176.344 177.300 -0.226 0.000 1.806 674 P CA -0.149 62.581 63.100 -0.618 0.000 0.976 674 P CB -0.413 30.656 31.700 -1.052 0.000 1.952 675 T N -2.731 111.776 114.554 -0.079 0.000 2.907 675 T HA 0.461 4.805 4.350 -0.010 0.000 0.292 675 T C -2.298 172.404 174.700 0.003 0.000 1.043 675 T CA -2.541 59.538 62.100 -0.035 0.000 1.003 675 T CB 1.742 70.600 68.868 -0.018 0.000 1.084 675 T HN -0.307 nan 8.240 nan 0.000 0.483 676 P HA -0.169 nan 4.420 nan 0.000 0.217 676 P C 1.094 178.408 177.300 0.024 0.000 1.151 676 P CA 1.230 64.341 63.100 0.018 0.000 0.849 676 P CB 0.097 31.803 31.700 0.011 0.000 0.787 677 E N -1.846 118.365 120.200 0.018 0.000 2.394 677 E HA 0.072 4.416 4.350 -0.010 0.000 0.191 677 E C 0.275 176.891 176.600 0.026 0.000 1.044 677 E CA 0.223 56.635 56.400 0.020 0.000 0.939 677 E CB -0.093 29.614 29.700 0.011 0.000 1.089 677 E HN 0.199 nan 8.360 nan 0.000 0.456 678 D N 0.843 121.267 120.400 0.040 0.000 2.736 678 D HA 0.042 4.676 4.640 -0.010 0.000 0.146 678 D C -0.014 176.340 176.300 0.090 0.000 1.409 678 D CA -0.020 54.015 54.000 0.057 0.000 1.559 678 D CB -0.109 40.727 40.800 0.059 0.000 1.683 678 D HN 0.084 nan 8.370 nan 0.000 0.196 679 N N 0.148 118.933 118.700 0.141 0.000 2.377 679 N HA 0.133 4.867 4.740 -0.010 0.000 0.259 679 N C 0.847 176.553 175.510 0.326 0.000 1.332 679 N CA -0.035 53.149 53.050 0.223 0.000 0.877 679 N CB 0.351 38.992 38.487 0.257 0.000 1.299 679 N HN 0.094 nan 8.380 nan 0.000 0.501 680 L N 0.503 121.835 121.223 0.182 0.000 2.042 680 L HA -0.108 4.226 4.340 -0.010 0.000 0.210 680 L C 1.231 178.214 176.870 0.189 0.000 1.076 680 L CA 1.990 56.913 54.840 0.138 0.000 0.749 680 L CB -0.423 41.657 42.059 0.036 0.000 0.893 680 L HN 0.180 nan 8.230 nan 0.000 0.432 681 D N -1.486 119.007 120.400 0.155 0.000 2.116 681 D HA -0.266 4.368 4.640 -0.010 0.000 0.193 681 D C 2.105 178.506 176.300 0.167 0.000 0.998 681 D CA 1.857 55.938 54.000 0.135 0.000 0.836 681 D CB -0.232 40.635 40.800 0.112 0.000 0.951 681 D HN 0.562 nan 8.370 nan 0.000 0.449 682 H N -0.868 118.268 119.070 0.111 0.000 2.395 682 H HA -0.072 4.478 4.556 -0.010 0.000 0.299 682 H C 1.771 177.167 175.328 0.112 0.000 1.070 682 H CA 1.250 57.342 56.048 0.074 0.000 1.356 682 H CB -0.309 29.459 29.762 0.011 0.000 1.401 682 H HN 0.148 nan 8.280 nan 0.000 0.524 683 Y N 0.372 120.688 120.300 0.027 0.000 2.151 683 Y HA -0.225 4.319 4.550 -0.010 0.000 0.284 683 Y C 2.546 178.430 175.900 -0.026 0.000 1.166 683 Y CA 1.602 59.718 58.100 0.026 0.000 1.163 683 Y CB 0.053 38.552 38.460 0.065 0.000 0.974 683 Y HN 0.136 nan 8.280 nan 0.000 0.511 684 R N -0.003 120.588 120.500 0.151 0.000 2.092 684 R HA -0.093 4.241 4.340 -0.010 0.000 0.231 684 R C 1.341 177.645 176.300 0.006 0.000 1.119 684 R CA 1.339 57.476 56.100 0.062 0.000 0.970 684 R CB -0.932 29.403 30.300 0.057 0.000 0.864 684 R HN 0.554 nan 8.270 nan 0.000 0.440 685 N N 0.496 119.176 118.700 -0.032 0.000 2.461 685 N HA -0.052 4.682 4.740 -0.010 0.000 0.188 685 N C 0.294 175.729 175.510 -0.127 0.000 1.134 685 N CA 0.412 53.427 53.050 -0.059 0.000 0.878 685 N CB 0.275 38.758 38.487 -0.007 0.000 0.972 685 N HN 0.101 nan 8.380 nan 0.000 0.456 686 S N -0.235 115.364 115.700 -0.169 0.000 2.624 686 S HA 0.074 4.538 4.470 -0.010 0.000 0.246 686 S C 0.309 174.959 174.600 0.083 0.000 1.072 686 S CA -0.843 57.305 58.200 -0.088 0.000 1.045 686 S CB -0.151 62.911 63.200 -0.230 0.000 0.851 686 S HN 0.116 nan 8.310 nan 0.000 0.480 687 T N -1.326 113.238 114.554 0.016 0.000 2.907 687 T HA 0.506 4.850 4.350 -0.010 0.000 0.284 687 T C 1.375 176.079 174.700 0.007 0.000 1.004 687 T CA -0.156 61.941 62.100 -0.005 0.000 1.063 687 T CB 1.486 70.319 68.868 -0.059 0.000 0.992 687 T HN 0.555 nan 8.240 nan 0.000 0.483 688 V N 2.123 122.039 119.914 0.002 0.000 2.667 688 V HA -0.049 4.065 4.120 -0.010 0.000 0.252 688 V C 2.204 178.274 176.094 -0.042 0.000 1.065 688 V CA 1.417 63.707 62.300 -0.016 0.000 1.083 688 V CB -1.186 30.625 31.823 -0.021 0.000 0.692 688 V HN 0.846 nan 8.190 nan 0.000 0.468 689 M N 2.551 122.112 119.600 -0.065 0.000 2.089 689 M HA -0.172 4.302 4.480 -0.010 0.000 0.257 689 M C 2.473 178.748 176.300 -0.041 0.000 1.071 689 M CA 2.657 57.913 55.300 -0.074 0.000 1.096 689 M CB -1.099 31.469 32.600 -0.053 0.000 1.330 689 M HN 0.756 nan 8.290 nan 0.000 0.403 690 S N -0.646 115.042 115.700 -0.020 0.000 2.507 690 S HA -0.080 4.384 4.470 -0.010 0.000 0.235 690 S C 1.763 176.371 174.600 0.013 0.000 0.988 690 S CA 0.772 58.969 58.200 -0.004 0.000 0.944 690 S CB -0.502 62.696 63.200 -0.004 0.000 0.762 690 S HN 0.524 nan 8.310 nan 0.000 0.526 691 R N 0.371 120.890 120.500 0.032 0.000 2.393 691 R HA 0.437 4.771 4.340 -0.010 0.000 0.244 691 R C 2.180 178.577 176.300 0.163 0.000 0.920 691 R CA 0.427 56.572 56.100 0.076 0.000 1.076 691 R CB -0.221 30.124 30.300 0.076 0.000 1.119 691 R HN 0.482 nan 8.270 nan 0.000 0.524 692 A N 1.532 124.399 122.820 0.079 0.000 1.917 692 A HA -0.286 4.029 4.320 -0.010 0.000 0.219 692 A C 2.038 179.698 177.584 0.127 0.000 1.182 692 A CA 1.962 54.018 52.037 0.030 0.000 0.633 692 A CB -0.266 18.681 19.000 -0.087 0.000 0.819 692 A HN 0.285 nan 8.150 nan 0.000 0.448 693 E N 0.730 120.983 120.200 0.089 0.000 2.110 693 E HA -0.172 4.172 4.350 -0.010 0.000 0.193 693 E C 1.585 178.246 176.600 0.101 0.000 0.988 693 E CA 1.594 58.042 56.400 0.081 0.000 0.804 693 E CB -0.305 29.424 29.700 0.049 0.000 0.745 693 E HN 0.597 nan 8.360 nan 0.000 0.458 694 N N -0.393 118.366 118.700 0.098 0.000 2.520 694 N HA -0.103 4.631 4.740 -0.010 0.000 0.185 694 N C 0.758 176.266 175.510 -0.003 0.000 1.068 694 N CA 0.494 53.560 53.050 0.026 0.000 0.911 694 N CB -0.191 38.269 38.487 -0.045 0.000 0.961 694 N HN 0.234 nan 8.380 nan 0.000 0.446 695 F N 1.601 121.515 119.950 -0.061 0.000 2.546 695 F HA 0.034 4.555 4.527 -0.010 0.000 0.298 695 F C 1.962 177.772 175.800 0.016 0.000 1.120 695 F CA 0.597 58.557 58.000 -0.065 0.000 1.456 695 F CB 0.026 38.945 39.000 -0.134 0.000 1.088 695 F HN -0.067 nan 8.300 nan 0.000 0.572 696 K N 0.004 120.505 120.400 0.168 0.000 2.281 696 K HA -0.191 4.123 4.320 -0.010 0.000 0.203 696 K C 1.362 178.017 176.600 0.092 0.000 1.046 696 K CA 1.117 57.481 56.287 0.127 0.000 0.938 696 K CB -0.234 32.322 32.500 0.093 0.000 0.737 696 K HN 0.452 nan 8.250 nan 0.000 0.458 697 Q N 0.438 120.269 119.800 0.051 0.000 2.360 697 Q HA 0.053 4.387 4.340 -0.010 0.000 0.202 697 Q C 0.258 176.281 176.000 0.040 0.000 0.915 697 Q CA -0.032 55.789 55.803 0.030 0.000 0.943 697 Q CB 0.610 29.345 28.738 -0.004 0.000 1.064 697 Q HN 0.126 nan 8.270 nan 0.000 0.511 698 V N -3.525 116.429 119.914 0.066 0.000 3.202 698 V HA 0.508 4.622 4.120 -0.010 0.000 0.306 698 V C -1.604 174.615 176.094 0.207 0.000 1.283 698 V CA -1.335 61.030 62.300 0.108 0.000 1.065 698 V CB 2.394 34.236 31.823 0.032 0.000 1.079 698 V HN -0.023 nan 8.190 nan 0.000 0.448 699 E N 1.082 121.440 120.200 0.264 0.000 2.145 699 E HA 0.543 4.887 4.350 -0.010 0.000 0.270 699 E C -1.978 174.982 176.600 0.600 0.000 0.906 699 E CA -0.427 56.198 56.400 0.375 0.000 0.761 699 E CB 2.059 31.909 29.700 0.250 0.000 1.116 699 E HN 0.678 nan 8.360 nan 0.000 0.408 700 Y N 3.301 123.869 120.300 0.446 0.000 2.376 700 Y HA 0.482 5.026 4.550 -0.010 0.000 0.340 700 Y C -1.731 174.272 175.900 0.173 0.000 0.965 700 Y CA -1.575 56.737 58.100 0.353 0.000 1.078 700 Y CB 1.094 39.801 38.460 0.412 0.000 1.193 700 Y HN 0.449 nan 8.280 nan 0.000 0.452 701 L N 7.688 128.644 121.223 -0.444 0.000 2.333 701 L HA 0.677 5.011 4.340 -0.010 0.000 0.280 701 L C -2.187 174.234 176.870 -0.749 0.000 1.004 701 L CA -0.805 53.597 54.840 -0.730 0.000 0.820 701 L CB 1.434 42.681 42.059 -1.353 0.000 1.247 701 L HN 0.642 nan 8.230 nan 0.000 0.416 702 L N 6.592 127.472 121.223 -0.572 0.000 2.349 702 L HA 0.714 5.048 4.340 -0.010 0.000 0.278 702 L C -1.366 175.367 176.870 -0.228 0.000 0.996 702 L CA -0.070 54.482 54.840 -0.479 0.000 0.825 702 L CB 1.375 43.157 42.059 -0.461 0.000 1.243 702 L HN 0.605 nan 8.230 nan 0.000 0.412 703 I N 4.561 125.004 120.570 -0.212 0.000 2.499 703 I HA 0.457 4.621 4.170 -0.010 0.000 0.288 703 I C -1.140 174.933 176.117 -0.074 0.000 1.048 703 I CA -0.607 60.617 61.300 -0.128 0.000 1.062 703 I CB 1.929 39.818 38.000 -0.184 0.000 1.238 703 I HN 0.681 nan 8.210 nan 0.000 0.426 704 H N 2.709 121.801 119.070 0.037 0.000 3.029 704 H HA 0.542 5.092 4.556 -0.010 0.000 0.358 704 H C -0.283 175.253 175.328 0.347 0.000 1.129 704 H CA -0.634 55.485 56.048 0.117 0.000 1.230 704 H CB 2.089 31.858 29.762 0.012 0.000 1.827 704 H HN 0.750 nan 8.280 nan 0.000 0.530 705 G N 0.804 109.955 108.800 0.585 0.000 2.444 705 G HA2 0.210 4.164 3.960 -0.010 0.000 0.268 705 G HA3 0.210 4.164 3.960 -0.010 0.000 0.268 705 G C 1.091 176.272 174.900 0.468 0.000 1.203 705 G CA 0.098 45.494 45.100 0.494 0.000 0.835 705 G HN 0.743 nan 8.290 nan 0.000 0.543 706 T N -1.085 113.617 114.554 0.248 0.000 3.023 706 T HA 0.116 4.460 4.350 -0.010 0.000 0.266 706 T C 1.759 176.450 174.700 -0.014 0.000 1.093 706 T CA 1.187 63.269 62.100 -0.030 0.000 1.129 706 T CB 0.174 68.948 68.868 -0.158 0.000 0.899 706 T HN 0.665 nan 8.240 nan 0.000 0.491 707 A N 1.194 124.072 122.820 0.096 0.000 2.532 707 A HA 0.308 4.622 4.320 -0.010 0.000 0.273 707 A C 0.411 177.949 177.584 -0.076 0.000 1.342 707 A CA -0.482 51.596 52.037 0.068 0.000 0.929 707 A CB -0.410 18.899 19.000 0.514 0.000 1.051 707 A HN 0.371 nan 8.150 nan 0.000 0.521 708 D N 1.341 121.709 120.400 -0.052 0.000 2.338 708 D HA 0.023 4.657 4.640 -0.010 0.000 0.255 708 D C 0.403 176.651 176.300 -0.087 0.000 1.237 708 D CA 0.072 54.136 54.000 0.108 0.000 0.883 708 D CB 0.740 41.767 40.800 0.379 0.000 1.087 708 D HN 0.555 nan 8.370 nan 0.000 0.485 709 D N 2.089 122.492 120.400 0.005 0.000 2.346 709 D HA -0.088 4.546 4.640 -0.010 0.000 0.206 709 D C 1.030 177.276 176.300 -0.090 0.000 1.001 709 D CA 0.027 53.986 54.000 -0.070 0.000 0.871 709 D CB 0.272 40.955 40.800 -0.195 0.000 0.943 709 D HN 0.446 nan 8.370 nan 0.000 0.518 710 N N 0.280 119.033 118.700 0.088 0.000 2.335 710 N HA -0.032 4.702 4.740 -0.010 0.000 0.197 710 N C -0.180 175.285 175.510 -0.075 0.000 1.045 710 N CA 0.257 53.422 53.050 0.193 0.000 0.928 710 N CB 0.717 39.337 38.487 0.222 0.000 1.118 710 N HN -0.177 nan 8.380 nan 0.000 0.471 711 V N 2.348 122.251 119.914 -0.018 0.000 2.318 711 V HA 0.214 4.328 4.120 -0.010 0.000 0.271 711 V C -0.898 175.250 176.094 0.089 0.000 1.030 711 V CA -0.377 61.937 62.300 0.024 0.000 0.844 711 V CB 0.194 32.087 31.823 0.117 0.000 1.015 711 V HN 0.329 nan 8.190 nan 0.000 0.460 712 H N 3.278 122.340 119.070 -0.013 0.000 2.790 712 H HA 0.053 4.604 4.556 -0.010 0.000 0.358 712 H C 0.762 175.944 175.328 -0.244 0.000 1.103 712 H CA -0.145 55.804 56.048 -0.165 0.000 1.426 712 H CB 0.833 30.414 29.762 -0.301 0.000 1.424 712 H HN 0.630 nan 8.280 nan 0.000 0.599 713 F N 1.813 121.538 119.950 -0.375 0.000 2.192 713 F HA -0.309 4.212 4.527 -0.010 0.000 0.301 713 F C 2.578 178.108 175.800 -0.449 0.000 1.079 713 F CA 1.767 59.347 58.000 -0.700 0.000 1.303 713 F CB -0.184 38.587 39.000 -0.382 0.000 1.024 713 F HN 0.679 nan 8.300 nan 0.000 0.494 714 Q N 0.248 119.933 119.800 -0.191 0.000 2.165 714 Q HA -0.362 3.972 4.340 -0.010 0.000 0.215 714 Q C 2.129 177.927 176.000 -0.337 0.000 1.010 714 Q CA 2.682 58.324 55.803 -0.269 0.000 0.896 714 Q CB -0.419 28.127 28.738 -0.320 0.000 0.956 714 Q HN 0.610 nan 8.270 nan 0.000 0.413 715 Q N -0.492 119.162 119.800 -0.244 0.000 2.096 715 Q HA -0.135 4.199 4.340 -0.010 0.000 0.204 715 Q C 2.261 178.196 176.000 -0.107 0.000 0.982 715 Q CA 1.757 57.538 55.803 -0.037 0.000 0.850 715 Q CB -0.117 28.667 28.738 0.078 0.000 0.901 715 Q HN 0.340 nan 8.270 nan 0.000 0.422 716 S N 0.603 116.143 115.700 -0.266 0.000 2.414 716 S HA 0.010 4.474 4.470 -0.010 0.000 0.227 716 S C 2.044 176.405 174.600 -0.399 0.000 1.022 716 S CA 0.654 58.675 58.200 -0.298 0.000 0.958 716 S CB -0.073 62.949 63.200 -0.296 0.000 0.797 716 S HN 0.467 nan 8.310 nan 0.000 0.493 717 A N 1.539 124.030 122.820 -0.549 0.000 1.908 717 A HA -0.151 4.163 4.320 -0.010 0.000 0.218 717 A C 2.119 179.606 177.584 -0.161 0.000 1.181 717 A CA 1.214 53.057 52.037 -0.324 0.000 0.627 717 A CB -0.435 18.445 19.000 -0.199 0.000 0.818 717 A HN 0.368 nan 8.150 nan 0.000 0.445 718 Q N -0.519 119.200 119.800 -0.135 0.000 2.245 718 Q HA 0.008 4.342 4.340 -0.010 0.000 0.201 718 Q C 2.101 178.054 176.000 -0.080 0.000 0.955 718 Q CA 0.930 56.704 55.803 -0.048 0.000 0.870 718 Q CB -0.302 28.486 28.738 0.084 0.000 0.945 718 Q HN 0.800 nan 8.270 nan 0.000 0.461 719 I N 1.066 121.560 120.570 -0.127 0.000 2.179 719 I HA -0.277 3.887 4.170 -0.010 0.000 0.242 719 I C 2.504 178.455 176.117 -0.277 0.000 1.088 719 I CA 1.507 62.686 61.300 -0.201 0.000 1.357 719 I CB -0.490 37.393 38.000 -0.195 0.000 1.051 719 I HN 0.159 nan 8.210 nan 0.000 0.409 720 S N 0.913 116.475 115.700 -0.231 0.000 2.368 720 S HA -0.254 4.210 4.470 -0.010 0.000 0.225 720 S C 2.013 176.575 174.600 -0.063 0.000 1.030 720 S CA 1.306 59.394 58.200 -0.188 0.000 0.999 720 S CB -0.476 62.785 63.200 0.102 0.000 0.844 720 S HN 0.366 nan 8.310 nan 0.000 0.459 721 K N 1.891 122.265 120.400 -0.042 0.000 2.063 721 K HA -0.021 4.293 4.320 -0.010 0.000 0.208 721 K C 2.280 178.859 176.600 -0.036 0.000 1.048 721 K CA 1.238 57.517 56.287 -0.013 0.000 0.928 721 K CB -0.675 31.817 32.500 -0.012 0.000 0.713 721 K HN 0.437 nan 8.250 nan 0.000 0.442 722 A N 0.954 123.725 122.820 -0.082 0.000 1.933 722 A HA -0.100 4.214 4.320 -0.010 0.000 0.218 722 A C 2.071 179.588 177.584 -0.112 0.000 1.175 722 A CA 1.244 53.226 52.037 -0.091 0.000 0.628 722 A CB -0.526 18.406 19.000 -0.112 0.000 0.814 722 A HN 0.325 nan 8.150 nan 0.000 0.444 723 L N -0.802 120.305 121.223 -0.192 0.000 2.093 723 L HA -0.121 4.213 4.340 -0.010 0.000 0.208 723 L C 2.477 179.354 176.870 0.012 0.000 1.085 723 L CA 0.832 55.563 54.840 -0.181 0.000 0.755 723 L CB -0.510 41.266 42.059 -0.472 0.000 0.904 723 L HN 0.236 nan 8.230 nan 0.000 0.435 724 V N -0.276 119.678 119.914 0.066 0.000 2.358 724 V HA -0.252 3.862 4.120 -0.010 0.000 0.246 724 V C 1.932 178.061 176.094 0.058 0.000 1.047 724 V CA 1.706 64.072 62.300 0.109 0.000 1.035 724 V CB -0.466 31.428 31.823 0.118 0.000 0.658 724 V HN 0.414 nan 8.190 nan 0.000 0.452 725 D N 0.324 120.741 120.400 0.028 0.000 2.309 725 D HA -0.103 4.531 4.640 -0.010 0.000 0.212 725 D C 1.651 177.965 176.300 0.023 0.000 0.968 725 D CA 1.622 55.635 54.000 0.021 0.000 0.882 725 D CB 0.013 40.818 40.800 0.008 0.000 0.918 725 D HN 0.573 nan 8.370 nan 0.000 0.503 726 V N -4.292 115.637 119.914 0.025 0.000 3.427 726 V HA 0.533 4.647 4.120 -0.010 0.000 0.305 726 V C 1.183 177.308 176.094 0.051 0.000 1.412 726 V CA 0.277 62.596 62.300 0.033 0.000 1.086 726 V CB 0.124 31.963 31.823 0.027 0.000 0.964 726 V HN 0.110 nan 8.190 nan 0.000 0.439 727 G N 0.634 109.472 108.800 0.063 0.000 2.198 727 G HA2 -0.193 3.761 3.960 -0.010 0.000 0.257 727 G HA3 -0.193 3.761 3.960 -0.010 0.000 0.257 727 G C -0.030 174.934 174.900 0.107 0.000 1.042 727 G CA 0.225 45.372 45.100 0.079 0.000 0.791 727 G HN 0.891 nan 8.290 nan 0.000 0.502 728 V N 0.652 120.648 119.914 0.136 0.000 2.406 728 V HA 0.388 4.502 4.120 -0.010 0.000 0.272 728 V C 0.539 176.813 176.094 0.299 0.000 1.043 728 V CA -0.453 61.962 62.300 0.190 0.000 0.915 728 V CB 1.594 33.520 31.823 0.172 0.000 0.988 728 V HN 0.417 nan 8.190 nan 0.000 0.466 729 D N 4.499 125.050 120.400 0.252 0.000 2.350 729 D HA 0.528 5.162 4.640 -0.010 0.000 0.249 729 D C -0.495 176.036 176.300 0.385 0.000 1.119 729 D CA 0.256 54.400 54.000 0.239 0.000 0.886 729 D CB 0.574 41.447 40.800 0.121 0.000 1.195 729 D HN 0.378 nan 8.370 nan 0.000 0.437 730 F N -0.067 119.962 119.950 0.131 0.000 2.779 730 F HA 0.472 4.993 4.527 -0.010 0.000 0.316 730 F C -1.248 174.604 175.800 0.086 0.000 1.164 730 F CA -1.160 56.937 58.000 0.161 0.000 0.924 730 F CB 0.834 39.959 39.000 0.209 0.000 1.348 730 F HN 0.085 nan 8.300 nan 0.000 0.467 731 Q N 1.408 121.245 119.800 0.061 0.000 2.226 731 Q HA 0.803 5.137 4.340 -0.010 0.000 0.256 731 Q C -0.932 175.029 176.000 -0.065 0.000 0.962 731 Q CA -0.985 54.762 55.803 -0.092 0.000 0.887 731 Q CB 2.158 30.879 28.738 -0.029 0.000 1.282 731 Q HN 1.001 nan 8.270 nan 0.000 0.449 732 A N 1.494 124.250 122.820 -0.106 0.000 2.556 732 A HA 0.802 5.117 4.320 -0.010 0.000 0.294 732 A C -1.403 176.123 177.584 -0.098 0.000 1.091 732 A CA -0.590 51.433 52.037 -0.024 0.000 0.704 732 A CB 2.036 21.082 19.000 0.078 0.000 1.300 732 A HN 0.619 nan 8.150 nan 0.000 0.406 733 M N 1.639 121.168 119.600 -0.117 0.000 2.265 733 M HA 0.519 4.993 4.480 -0.010 0.000 0.262 733 M C -1.875 174.291 176.300 -0.223 0.000 1.026 733 M CA -0.599 54.491 55.300 -0.350 0.000 0.987 733 M CB 0.932 33.221 32.600 -0.519 0.000 1.937 733 M HN 0.951 nan 8.290 nan 0.000 0.481 734 W N 4.511 125.663 121.300 -0.246 0.000 2.381 734 W HA 0.757 5.411 4.660 -0.010 0.000 0.329 734 W C -1.906 174.373 176.519 -0.400 0.000 1.157 734 W CA -0.681 56.598 57.345 -0.110 0.000 1.240 734 W CB 0.327 29.777 29.460 -0.017 0.000 1.199 734 W HN 0.605 nan 8.180 nan 0.000 0.579 735 Y N 2.484 122.892 120.300 0.180 0.000 2.356 735 Y HA 0.297 4.841 4.550 -0.010 0.000 0.334 735 Y C 0.550 176.559 175.900 0.182 0.000 0.958 735 Y CA -1.086 57.041 58.100 0.045 0.000 1.196 735 Y CB 1.397 39.863 38.460 0.010 0.000 1.137 735 Y HN 0.420 nan 8.280 nan 0.000 0.485 736 T N 4.739 119.459 114.554 0.278 0.000 2.831 736 T HA -0.007 4.337 4.350 -0.010 0.000 0.291 736 T C 0.151 174.921 174.700 0.116 0.000 0.981 736 T CA 0.460 62.680 62.100 0.201 0.000 1.174 736 T CB -0.114 68.814 68.868 0.100 0.000 0.929 736 T HN 0.714 nan 8.240 nan 0.000 0.532 737 D N 0.566 121.001 120.400 0.059 0.000 3.006 737 D HA -0.129 4.505 4.640 -0.010 0.000 0.208 737 D C 0.376 176.782 176.300 0.177 0.000 1.116 737 D CA 1.191 55.130 54.000 -0.102 0.000 0.998 737 D CB -0.435 40.049 40.800 -0.526 0.000 1.124 737 D HN 0.557 nan 8.370 nan 0.000 0.413 738 E N 1.044 121.376 120.200 0.220 0.000 2.373 738 E HA 0.308 4.652 4.350 -0.010 0.000 0.263 738 E C 0.808 177.584 176.600 0.294 0.000 1.073 738 E CA -0.078 56.473 56.400 0.252 0.000 0.894 738 E CB 0.901 30.734 29.700 0.222 0.000 1.008 738 E HN 0.395 nan 8.360 nan 0.000 0.420 739 D N -0.784 119.800 120.400 0.306 0.000 2.560 739 D HA 0.020 4.654 4.640 -0.010 0.000 0.277 739 D C 1.019 177.530 176.300 0.352 0.000 1.194 739 D CA -0.317 53.884 54.000 0.334 0.000 1.092 739 D CB -0.203 40.820 40.800 0.371 0.000 1.169 739 D HN 0.445 nan 8.370 nan 0.000 0.607 740 H N -1.540 117.702 119.070 0.286 0.000 2.489 740 H HA 0.059 4.609 4.556 -0.010 0.000 0.295 740 H C 1.890 177.457 175.328 0.398 0.000 1.082 740 H CA 2.224 58.461 56.048 0.315 0.000 1.295 740 H CB -0.314 29.613 29.762 0.275 0.000 1.380 740 H HN 0.491 nan 8.280 nan 0.000 0.548 741 G N -0.244 108.733 108.800 0.294 0.000 2.551 741 G HA2 -0.021 3.933 3.960 -0.010 0.000 0.216 741 G HA3 -0.021 3.933 3.960 -0.010 0.000 0.216 741 G C 0.672 175.731 174.900 0.265 0.000 1.137 741 G CA 0.332 45.537 45.100 0.175 0.000 0.798 741 G HN 0.526 nan 8.290 nan 0.000 0.536 742 I N 0.103 120.846 120.570 0.288 0.000 6.313 742 I HA -0.331 3.833 4.170 -0.010 0.000 0.126 742 I C 1.650 177.877 176.117 0.183 0.000 1.598 742 I CA 0.078 61.501 61.300 0.206 0.000 2.457 742 I CB -1.185 36.913 38.000 0.163 0.000 3.027 742 I HN 0.255 nan 8.210 nan 0.000 0.280 743 A N 0.365 123.273 122.820 0.146 0.000 2.140 743 A HA 0.222 4.536 4.320 -0.010 0.000 0.209 743 A C 1.229 178.854 177.584 0.069 0.000 1.181 743 A CA 0.331 52.423 52.037 0.091 0.000 0.824 743 A CB 0.211 19.242 19.000 0.052 0.000 0.879 743 A HN 0.442 nan 8.150 nan 0.000 0.480 744 S N 0.914 116.668 115.700 0.090 0.000 2.642 744 S HA 0.010 4.474 4.470 -0.010 0.000 0.308 744 S C 1.457 176.101 174.600 0.073 0.000 1.255 744 S CA 0.503 58.750 58.200 0.079 0.000 1.057 744 S CB 0.841 64.094 63.200 0.088 0.000 0.785 744 S HN 0.567 nan 8.310 nan 0.000 0.500 745 S N 3.126 118.858 115.700 0.053 0.000 2.393 745 S HA -0.245 4.219 4.470 -0.010 0.000 0.235 745 S C 2.352 177.001 174.600 0.081 0.000 1.061 745 S CA 2.370 60.602 58.200 0.053 0.000 1.129 745 S CB -0.801 62.415 63.200 0.027 0.000 1.011 745 S HN 0.997 nan 8.310 nan 0.000 0.436 746 T N -0.489 114.102 114.554 0.061 0.000 2.904 746 T HA 0.200 4.544 4.350 -0.010 0.000 0.267 746 T C 1.886 176.625 174.700 0.064 0.000 1.059 746 T CA 1.303 63.440 62.100 0.061 0.000 1.137 746 T CB -0.715 68.182 68.868 0.047 0.000 0.879 746 T HN 0.454 nan 8.240 nan 0.000 0.467 747 A N 1.464 124.298 122.820 0.025 0.000 1.898 747 A HA -0.055 4.259 4.320 -0.010 0.000 0.216 747 A C 2.186 179.705 177.584 -0.108 0.000 1.181 747 A CA 1.880 53.852 52.037 -0.109 0.000 0.620 747 A CB -1.282 17.613 19.000 -0.175 0.000 0.819 747 A HN 0.729 nan 8.150 nan 0.000 0.442 748 H N -0.085 118.957 119.070 -0.048 0.000 2.353 748 H HA -0.185 4.365 4.556 -0.010 0.000 0.298 748 H C 2.077 177.474 175.328 0.115 0.000 1.103 748 H CA 2.474 58.556 56.048 0.058 0.000 1.293 748 H CB -0.163 29.630 29.762 0.052 0.000 1.372 748 H HN 0.591 nan 8.280 nan 0.000 0.501 749 Q N -1.216 118.579 119.800 -0.008 0.000 2.083 749 Q HA -0.141 4.193 4.340 -0.010 0.000 0.198 749 Q C 2.249 178.230 176.000 -0.032 0.000 0.969 749 Q CA 1.119 56.885 55.803 -0.062 0.000 0.838 749 Q CB -0.149 28.585 28.738 -0.006 0.000 0.900 749 Q HN 0.619 nan 8.270 nan 0.000 0.436 750 H N 0.724 119.756 119.070 -0.064 0.000 2.353 750 H HA -0.109 4.441 4.556 -0.010 0.000 0.300 750 H C 2.011 177.325 175.328 -0.023 0.000 1.090 750 H CA 1.417 57.458 56.048 -0.012 0.000 1.327 750 H CB 0.028 29.829 29.762 0.066 0.000 1.383 750 H HN 0.287 nan 8.280 nan 0.000 0.508 751 I N 0.038 120.568 120.570 -0.068 0.000 2.252 751 I HA -0.305 3.859 4.170 -0.010 0.000 0.245 751 I C 1.765 177.618 176.117 -0.440 0.000 1.102 751 I CA 1.122 62.298 61.300 -0.206 0.000 1.385 751 I CB -0.234 37.510 38.000 -0.426 0.000 1.064 751 I HN 0.153 nan 8.210 nan 0.000 0.414 752 Y N 0.778 120.857 120.300 -0.369 0.000 2.263 752 Y HA -0.204 4.340 4.550 -0.010 0.000 0.292 752 Y C 2.688 178.360 175.900 -0.381 0.000 1.130 752 Y CA 1.859 59.633 58.100 -0.543 0.000 1.179 752 Y CB -0.703 37.452 38.460 -0.508 0.000 0.998 752 Y HN 0.142 nan 8.280 nan 0.000 0.532 753 T N -1.595 112.853 114.554 -0.176 0.000 2.746 753 T HA -0.247 4.097 4.350 -0.010 0.000 0.267 753 T C 1.493 176.020 174.700 -0.288 0.000 1.039 753 T CA 1.929 63.871 62.100 -0.263 0.000 1.142 753 T CB -0.466 68.263 68.868 -0.233 0.000 0.866 753 T HN 0.406 nan 8.240 nan 0.000 0.444 754 H N 0.921 119.823 119.070 -0.280 0.000 2.326 754 H HA 0.135 4.685 4.556 -0.010 0.000 0.301 754 H C 2.185 177.447 175.328 -0.109 0.000 1.081 754 H CA 1.487 57.442 56.048 -0.156 0.000 1.334 754 H CB -0.274 29.401 29.762 -0.145 0.000 1.385 754 H HN 0.248 nan 8.280 nan 0.000 0.504 755 M N -0.824 118.652 119.600 -0.206 0.000 2.213 755 M HA -0.154 4.320 4.480 -0.010 0.000 0.263 755 M C 2.344 178.699 176.300 0.092 0.000 1.062 755 M CA 1.425 56.595 55.300 -0.217 0.000 1.105 755 M CB 0.055 32.238 32.600 -0.696 0.000 1.385 755 M HN 0.190 nan 8.290 nan 0.000 0.417 756 S N -0.617 115.154 115.700 0.118 0.000 2.355 756 S HA -0.146 4.318 4.470 -0.010 0.000 0.222 756 S C 1.593 176.282 174.600 0.149 0.000 1.031 756 S CA 1.185 59.568 58.200 0.306 0.000 0.993 756 S CB -0.585 62.771 63.200 0.260 0.000 0.859 756 S HN 0.563 nan 8.310 nan 0.000 0.453 757 H N -0.526 118.590 119.070 0.076 0.000 2.352 757 H HA -0.078 4.472 4.556 -0.010 0.000 0.299 757 H C 1.952 177.276 175.328 -0.008 0.000 1.097 757 H CA 1.632 57.684 56.048 0.008 0.000 1.311 757 H CB -0.191 29.531 29.762 -0.067 0.000 1.377 757 H HN 0.372 nan 8.280 nan 0.000 0.504 758 F N 1.047 120.964 119.950 -0.055 0.000 2.102 758 F HA -0.220 4.301 4.527 -0.010 0.000 0.298 758 F C 2.027 177.773 175.800 -0.092 0.000 1.105 758 F CA 0.982 58.921 58.000 -0.101 0.000 1.239 758 F CB -0.175 38.732 39.000 -0.156 0.000 0.991 758 F HN 0.030 nan 8.300 nan 0.000 0.474 759 I N 0.920 121.488 120.570 -0.003 0.000 2.113 759 I HA -0.300 3.864 4.170 -0.010 0.000 0.238 759 I C 2.280 178.206 176.117 -0.318 0.000 1.070 759 I CA 1.602 62.745 61.300 -0.262 0.000 1.332 759 I CB -1.452 36.490 38.000 -0.097 0.000 1.044 759 I HN 0.192 nan 8.210 nan 0.000 0.402 760 K N 0.268 120.629 120.400 -0.066 0.000 2.113 760 K HA -0.284 4.030 4.320 -0.010 0.000 0.208 760 K C 2.046 178.634 176.600 -0.020 0.000 1.047 760 K CA 1.876 58.175 56.287 0.021 0.000 0.928 760 K CB -0.234 32.331 32.500 0.109 0.000 0.716 760 K HN 0.366 nan 8.250 nan 0.000 0.446 761 Q N 0.849 120.589 119.800 -0.099 0.000 2.083 761 Q HA -0.161 4.173 4.340 -0.010 0.000 0.198 761 Q C 2.191 178.082 176.000 -0.183 0.000 0.969 761 Q CA 1.715 57.442 55.803 -0.128 0.000 0.838 761 Q CB -0.434 28.210 28.738 -0.156 0.000 0.900 761 Q HN 0.391 nan 8.270 nan 0.000 0.436 762 c N -0.309 118.070 118.600 -0.368 0.000 2.435 762 c HA 0.015 4.579 4.570 -0.010 0.000 0.279 762 c C 1.545 175.645 174.090 0.017 0.000 1.321 762 c CA 0.338 56.472 56.329 -0.324 0.000 1.752 762 c CB -1.187 40.961 42.510 -0.603 0.000 1.959 762 c HN 0.639 nan 8.230 nan 0.000 0.500 763 F N 1.318 121.232 119.950 -0.060 0.000 2.664 763 F HA 0.286 4.807 4.527 -0.010 0.000 0.303 763 F C 1.642 177.433 175.800 -0.015 0.000 1.092 763 F CA 0.200 58.188 58.000 -0.019 0.000 1.305 763 F CB -1.143 37.857 39.000 0.000 0.000 1.054 763 F HN 0.197 nan 8.300 nan 0.000 0.565 764 S N 0.776 116.562 115.700 0.143 0.000 3.635 764 S HA -0.197 4.267 4.470 -0.010 0.000 0.328 764 S C 0.168 174.816 174.600 0.080 0.000 1.135 764 S CA 0.092 58.340 58.200 0.079 0.000 0.942 764 S CB -1.988 61.248 63.200 0.061 0.000 0.930 764 S HN 0.223 nan 8.310 nan 0.000 0.512 765 L N 1.984 123.268 121.223 0.102 0.000 2.350 765 L HA 0.431 4.765 4.340 -0.010 0.000 0.275 765 L C -0.929 175.986 176.870 0.076 0.000 1.099 765 L CA -1.867 53.030 54.840 0.095 0.000 0.808 765 L CB 0.232 42.367 42.059 0.125 0.000 1.149 765 L HN 0.074 nan 8.230 nan 0.000 0.442 766 P HA 0.000 nan 4.420 nan 0.000 0.216 766 P CA 0.000 63.136 63.100 0.061 0.000 0.800 766 P CB 0.000 31.732 31.700 0.053 0.000 0.726