REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 3ccc_1_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 0.000 176.668 176.600 0.113 0.000 0.988 41 K CA 0.000 56.347 56.287 0.099 0.000 0.838 41 K CB 0.000 32.560 32.500 0.100 0.000 1.064 42 T N -0.697 113.929 114.554 0.119 0.000 2.897 42 T HA 0.284 4.628 4.350 -0.011 0.000 0.278 42 T C -0.447 174.368 174.700 0.191 0.000 0.981 42 T CA -0.659 61.522 62.100 0.135 0.000 0.973 42 T CB 0.625 69.565 68.868 0.119 0.000 1.092 42 T HN 0.513 nan 8.240 nan 0.000 0.543 43 Y N 2.721 123.067 120.300 0.077 0.000 2.640 43 Y HA 0.331 4.875 4.550 -0.011 0.000 0.355 43 Y C 0.992 177.022 175.900 0.217 0.000 1.088 43 Y CA -0.483 57.692 58.100 0.125 0.000 1.443 43 Y CB -0.605 37.875 38.460 0.034 0.000 1.224 43 Y HN 0.969 nan 8.280 nan 0.000 0.516 44 T N 2.104 116.619 114.554 -0.065 0.000 2.816 44 T HA 0.079 4.422 4.350 -0.011 0.000 0.282 44 T C 1.045 175.630 174.700 -0.191 0.000 0.993 44 T CA -0.628 61.474 62.100 0.003 0.000 0.994 44 T CB 1.139 69.999 68.868 -0.014 0.000 1.025 44 T HN 0.690 nan 8.240 nan 0.000 0.529 45 L N 0.853 121.861 121.223 -0.358 0.000 2.093 45 L HA 0.038 4.371 4.340 -0.011 0.000 0.208 45 L C 2.562 179.281 176.870 -0.251 0.000 1.085 45 L CA 1.973 56.451 54.840 -0.604 0.000 0.755 45 L CB -1.369 40.164 42.059 -0.876 0.000 0.904 45 L HN 0.938 nan 8.230 nan 0.000 0.435 46 T N -0.702 113.736 114.554 -0.195 0.000 2.867 46 T HA -0.135 4.208 4.350 -0.011 0.000 0.268 46 T C 1.440 176.054 174.700 -0.142 0.000 1.057 46 T CA 1.295 63.314 62.100 -0.135 0.000 1.136 46 T CB -0.376 68.436 68.868 -0.094 0.000 0.874 46 T HN 0.368 nan 8.240 nan 0.000 0.466 47 D N 0.291 120.571 120.400 -0.201 0.000 2.123 47 D HA -0.096 4.537 4.640 -0.011 0.000 0.196 47 D C 1.694 177.915 176.300 -0.131 0.000 0.992 47 D CA 1.036 54.900 54.000 -0.227 0.000 0.833 47 D CB -0.378 40.172 40.800 -0.417 0.000 0.954 47 D HN 0.413 nan 8.370 nan 0.000 0.455 48 Y N 1.328 121.449 120.300 -0.299 0.000 2.133 48 Y HA -0.078 4.465 4.550 -0.011 0.000 0.287 48 Y C 2.181 178.081 175.900 0.001 0.000 1.134 48 Y CA 1.216 59.303 58.100 -0.022 0.000 1.133 48 Y CB -0.616 37.871 38.460 0.044 0.000 0.987 48 Y HN -0.098 nan 8.280 nan 0.000 0.502 49 L N -0.104 120.977 121.223 -0.237 0.000 2.056 49 L HA -0.168 4.165 4.340 -0.011 0.000 0.207 49 L C 1.986 178.758 176.870 -0.162 0.000 1.078 49 L CA 1.736 56.404 54.840 -0.286 0.000 0.749 49 L CB -0.438 41.515 42.059 -0.176 0.000 0.901 49 L HN 0.056 nan 8.230 nan 0.000 0.433 50 K N 0.159 120.489 120.400 -0.118 0.000 2.374 50 K HA 0.021 4.334 4.320 -0.011 0.000 0.196 50 K C 0.227 176.782 176.600 -0.076 0.000 1.023 50 K CA -0.048 56.188 56.287 -0.085 0.000 1.103 50 K CB -0.147 32.307 32.500 -0.077 0.000 0.848 50 K HN 0.125 nan 8.250 nan 0.000 0.528 51 N N -0.404 118.257 118.700 -0.066 0.000 2.746 51 N HA -0.172 4.561 4.740 -0.011 0.000 0.250 51 N C -0.150 175.348 175.510 -0.021 0.000 1.055 51 N CA 1.034 54.079 53.050 -0.009 0.000 0.699 51 N CB -1.440 37.033 38.487 -0.023 0.000 0.919 51 N HN 0.196 nan 8.380 nan 0.000 0.548 52 T N -0.530 113.977 114.554 -0.079 0.000 2.821 52 T HA -0.103 4.241 4.350 -0.011 0.000 0.267 52 T C 0.282 174.765 174.700 -0.362 0.000 1.046 52 T CA 1.433 63.356 62.100 -0.296 0.000 1.139 52 T CB -0.159 68.402 68.868 -0.513 0.000 0.871 52 T HN 0.440 nan 8.240 nan 0.000 0.454 53 Y N 2.085 122.472 120.300 0.145 0.000 2.944 53 Y HA 0.397 4.940 4.550 -0.011 0.000 0.335 53 Y C 0.411 176.406 175.900 0.158 0.000 1.075 53 Y CA -1.152 57.049 58.100 0.169 0.000 1.240 53 Y CB 0.125 38.733 38.460 0.246 0.000 1.167 53 Y HN -0.197 nan 8.280 nan 0.000 0.555 54 R N 2.592 123.209 120.500 0.196 0.000 2.449 54 R HA 0.169 4.502 4.340 -0.011 0.000 0.296 54 R C -0.432 175.974 176.300 0.176 0.000 1.047 54 R CA -0.211 55.981 56.100 0.154 0.000 1.018 54 R CB 0.788 31.140 30.300 0.088 0.000 0.962 54 R HN 0.624 nan 8.270 nan 0.000 0.428 55 L N 4.638 125.967 121.223 0.176 0.000 2.361 55 L HA 0.128 4.462 4.340 -0.011 0.000 0.278 55 L C 0.697 177.650 176.870 0.139 0.000 1.113 55 L CA 0.117 55.065 54.840 0.181 0.000 0.849 55 L CB 0.425 42.603 42.059 0.199 0.000 1.155 55 L HN 0.292 nan 8.230 nan 0.000 0.452 56 K N 4.691 125.170 120.400 0.132 0.000 2.276 56 K HA 0.376 4.689 4.320 -0.011 0.000 0.285 56 K C -0.541 176.086 176.600 0.046 0.000 1.062 56 K CA -0.639 55.698 56.287 0.083 0.000 0.918 56 K CB 1.271 33.819 32.500 0.081 0.000 1.055 56 K HN 0.290 nan 8.250 nan 0.000 0.477 57 L N 1.881 123.066 121.223 -0.063 0.000 2.472 57 L HA 0.331 4.664 4.340 -0.011 0.000 0.256 57 L C -0.266 176.274 176.870 -0.549 0.000 1.111 57 L CA -0.421 54.232 54.840 -0.313 0.000 0.800 57 L CB 0.064 42.060 42.059 -0.105 0.000 1.286 57 L HN 0.466 nan 8.230 nan 0.000 0.479 58 Y N -0.157 119.509 120.300 -1.056 0.000 2.529 58 Y HA 0.344 4.887 4.550 -0.011 0.000 0.319 58 Y C -0.400 175.290 175.900 -0.349 0.000 1.063 58 Y CA -0.476 57.238 58.100 -0.644 0.000 1.178 58 Y CB 0.789 38.762 38.460 -0.811 0.000 1.123 58 Y HN 0.524 nan 8.280 nan 0.000 0.625 59 S N 3.705 119.327 115.700 -0.130 0.000 2.549 59 S HA 0.560 5.024 4.470 -0.011 0.000 0.283 59 S C -0.695 173.875 174.600 -0.050 0.000 1.320 59 S CA -0.127 58.048 58.200 -0.041 0.000 1.058 59 S CB 0.304 63.493 63.200 -0.018 0.000 0.882 59 S HN 0.513 nan 8.310 nan 0.000 0.498 60 L N 0.938 122.096 121.223 -0.109 0.000 2.466 60 L HA 0.715 5.048 4.340 -0.011 0.000 0.258 60 L C -0.795 175.961 176.870 -0.189 0.000 0.973 60 L CA -0.894 53.828 54.840 -0.196 0.000 0.826 60 L CB 1.586 43.251 42.059 -0.657 0.000 1.372 60 L HN 0.397 nan 8.230 nan 0.000 0.409 61 R N 1.670 122.117 120.500 -0.088 0.000 2.388 61 R HA 0.363 4.696 4.340 -0.011 0.000 0.314 61 R C -1.703 174.625 176.300 0.048 0.000 0.959 61 R CA -0.366 55.736 56.100 0.003 0.000 0.851 61 R CB 1.267 31.616 30.300 0.082 0.000 1.168 61 R HN 0.730 nan 8.270 nan 0.000 0.472 62 W N 3.643 125.052 121.300 0.181 0.000 2.381 62 W HA 0.063 4.717 4.660 -0.011 0.000 0.321 62 W C 1.057 177.660 176.519 0.139 0.000 1.407 62 W CA -0.360 57.097 57.345 0.186 0.000 1.274 62 W CB 0.264 29.826 29.460 0.170 0.000 1.310 62 W HN 0.544 nan 8.180 nan 0.000 0.551 63 I N 2.315 123.091 120.570 0.343 0.000 2.927 63 I HA -0.064 4.099 4.170 -0.011 0.000 0.268 63 I C 1.417 177.642 176.117 0.180 0.000 1.153 63 I CA 0.920 62.339 61.300 0.199 0.000 1.459 63 I CB -0.299 37.752 38.000 0.086 0.000 1.149 63 I HN 0.364 nan 8.210 nan 0.000 0.443 64 S N -1.739 114.087 115.700 0.210 0.000 2.874 64 S HA 0.308 4.772 4.470 -0.011 0.000 0.318 64 S C 0.694 175.312 174.600 0.030 0.000 1.109 64 S CA -0.415 57.842 58.200 0.094 0.000 0.878 64 S CB 0.840 64.079 63.200 0.064 0.000 1.307 64 S HN 0.053 nan 8.310 nan 0.000 0.592 65 D N -0.262 119.983 120.400 -0.259 0.000 2.317 65 D HA 0.031 4.664 4.640 -0.011 0.000 0.211 65 D C 0.864 177.021 176.300 -0.239 0.000 0.966 65 D CA 1.002 54.790 54.000 -0.354 0.000 0.876 65 D CB -0.078 40.448 40.800 -0.456 0.000 0.927 65 D HN 0.715 nan 8.370 nan 0.000 0.519 66 H N -2.018 117.237 119.070 0.309 0.000 3.124 66 H HA 0.453 5.002 4.556 -0.012 0.000 0.250 66 H C -0.386 175.165 175.328 0.372 0.000 1.184 66 H CA -0.344 55.965 56.048 0.434 0.000 1.013 66 H CB 0.443 30.469 29.762 0.441 0.000 1.891 66 H HN -0.008 nan 8.280 nan 0.000 0.687 67 E N 1.280 121.793 120.200 0.521 0.000 2.356 67 E HA 0.410 4.753 4.350 -0.011 0.000 0.275 67 E C -1.601 175.262 176.600 0.439 0.000 0.904 67 E CA -1.056 55.565 56.400 0.367 0.000 0.757 67 E CB 2.927 32.748 29.700 0.202 0.000 1.232 67 E HN 0.294 nan 8.360 nan 0.000 0.442 68 Y N -0.151 120.203 120.300 0.091 0.000 2.581 68 Y HA 0.670 5.213 4.550 -0.011 0.000 0.345 68 Y C -1.648 174.218 175.900 -0.056 0.000 1.036 68 Y CA -1.341 56.670 58.100 -0.149 0.000 1.042 68 Y CB 0.907 38.896 38.460 -0.785 0.000 1.289 68 Y HN 0.360 nan 8.280 nan 0.000 0.471 69 L N 3.102 124.405 121.223 0.135 0.000 2.325 69 L HA 0.452 4.785 4.340 -0.011 0.000 0.279 69 L C -1.259 175.801 176.870 0.317 0.000 1.054 69 L CA -0.967 53.953 54.840 0.133 0.000 0.804 69 L CB 1.456 43.563 42.059 0.080 0.000 1.200 69 L HN 0.776 nan 8.230 nan 0.000 0.436 70 Y N 3.091 123.474 120.300 0.139 0.000 2.457 70 Y HA 0.402 4.945 4.550 -0.011 0.000 0.343 70 Y C -0.591 175.340 175.900 0.052 0.000 0.994 70 Y CA -1.204 56.922 58.100 0.043 0.000 1.031 70 Y CB 1.477 39.901 38.460 -0.061 0.000 1.246 70 Y HN 0.427 nan 8.280 nan 0.000 0.449 71 K N 3.495 123.515 120.400 -0.634 0.000 2.098 71 K HA 0.433 4.746 4.320 -0.011 0.000 0.244 71 K C -0.628 175.503 176.600 -0.782 0.000 1.014 71 K CA -0.776 55.205 56.287 -0.511 0.000 0.917 71 K CB 0.959 33.298 32.500 -0.269 0.000 1.072 71 K HN 0.669 nan 8.250 nan 0.000 0.477 76 I N 2.447 122.996 120.570 -0.034 0.000 2.362 76 I HA 0.413 4.576 4.170 -0.011 0.000 0.289 76 I C -0.722 175.472 176.117 0.127 0.000 0.994 76 I CA -0.589 60.727 61.300 0.027 0.000 1.158 76 I CB 1.225 39.225 38.000 0.000 0.000 1.315 76 I HN 0.209 nan 8.210 nan 0.000 0.451 77 L N 7.114 128.423 121.223 0.143 0.000 2.346 77 L HA 0.555 4.888 4.340 -0.011 0.000 0.274 77 L C -0.020 176.942 176.870 0.153 0.000 1.007 77 L CA -0.706 54.229 54.840 0.160 0.000 0.818 77 L CB 2.052 44.207 42.059 0.160 0.000 1.284 77 L HN 0.352 nan 8.230 nan 0.000 0.424 78 V N -0.958 118.962 119.914 0.011 0.000 2.904 78 V HA 0.607 4.720 4.120 -0.011 0.000 0.305 78 V C -0.625 175.353 176.094 -0.195 0.000 1.067 78 V CA -0.473 61.765 62.300 -0.103 0.000 1.044 78 V CB 1.234 32.960 31.823 -0.162 0.000 1.050 78 V HN 0.463 nan 8.190 nan 0.000 0.475 79 F N 1.079 120.767 119.950 -0.438 0.000 2.578 79 F HA 0.462 4.982 4.527 -0.011 0.000 0.311 79 F C 0.029 175.599 175.800 -0.383 0.000 1.094 79 F CA -0.664 57.027 58.000 -0.515 0.000 0.923 79 F CB 2.085 40.449 39.000 -1.060 0.000 1.230 79 F HN 0.658 nan 8.300 nan 0.000 0.450 80 N N 1.548 120.226 118.700 -0.037 0.000 2.414 80 N HA 0.459 5.192 4.740 -0.011 0.000 0.256 80 N C 0.637 176.147 175.510 0.001 0.000 1.029 80 N CA 0.111 53.176 53.050 0.024 0.000 0.948 80 N CB 1.418 39.966 38.487 0.102 0.000 1.102 80 N HN 0.752 nan 8.380 nan 0.000 0.496 81 A N 3.124 125.900 122.820 -0.073 0.000 1.933 81 A HA -0.174 4.139 4.320 -0.011 0.000 0.218 81 A C 1.873 179.163 177.584 -0.490 0.000 1.175 81 A CA 1.338 53.218 52.037 -0.261 0.000 0.628 81 A CB -0.347 18.312 19.000 -0.568 0.000 0.814 81 A HN 0.848 nan 8.150 nan 0.000 0.444 82 E N -2.350 117.531 120.200 -0.531 0.000 2.190 82 E HA -0.074 4.269 4.350 -0.011 0.000 0.191 82 E C 1.281 177.579 176.600 -0.503 0.000 0.978 82 E CA 0.776 56.863 56.400 -0.522 0.000 0.839 82 E CB 0.059 29.407 29.700 -0.587 0.000 0.787 82 E HN 0.766 nan 8.360 nan 0.000 0.473 83 Y N -1.690 118.598 120.300 -0.020 0.000 2.594 83 Y HA 0.342 4.886 4.550 -0.011 0.000 0.283 83 Y C 1.696 177.601 175.900 0.007 0.000 1.140 83 Y CA 0.492 58.589 58.100 -0.005 0.000 1.261 83 Y CB 0.680 39.135 38.460 -0.008 0.000 1.358 83 Y HN 0.116 nan 8.280 nan 0.000 0.513 84 G N 0.585 109.483 108.800 0.163 0.000 2.179 84 G HA2 -0.256 3.697 3.960 -0.011 0.000 0.220 84 G HA3 -0.256 3.697 3.960 -0.011 0.000 0.220 84 G C -0.308 174.644 174.900 0.087 0.000 0.990 84 G CA -0.136 45.072 45.100 0.180 0.000 0.646 84 G HN 0.424 nan 8.290 nan 0.000 0.517 85 N N 1.183 119.886 118.700 0.006 0.000 2.475 85 N HA 0.373 5.106 4.740 -0.011 0.000 0.267 85 N C 0.169 175.472 175.510 -0.346 0.000 1.169 85 N CA 0.668 53.646 53.050 -0.120 0.000 0.947 85 N CB 1.294 39.739 38.487 -0.071 0.000 1.061 85 N HN 0.738 nan 8.380 nan 0.000 0.466 86 S N 1.012 116.400 115.700 -0.520 0.000 2.457 86 S HA 0.432 4.896 4.470 -0.011 0.000 0.289 86 S C -0.210 174.183 174.600 -0.345 0.000 1.163 86 S CA -0.921 56.823 58.200 -0.760 0.000 1.078 86 S CB 0.537 63.103 63.200 -1.057 0.000 0.987 86 S HN 0.624 nan 8.310 nan 0.000 0.482 87 S N 2.066 117.613 115.700 -0.254 0.000 2.596 87 S HA 0.467 4.930 4.470 -0.011 0.000 0.318 87 S C 0.062 174.633 174.600 -0.048 0.000 1.097 87 S CA -0.954 57.177 58.200 -0.115 0.000 1.080 87 S CB 0.589 63.748 63.200 -0.070 0.000 0.991 87 S HN 1.394 nan 8.310 nan 0.000 0.471 88 V N 2.365 122.257 119.914 -0.037 0.000 2.536 88 V HA 0.038 4.152 4.120 -0.011 0.000 0.287 88 V C 0.772 176.895 176.094 0.049 0.000 0.979 88 V CA 0.137 62.435 62.300 -0.002 0.000 1.161 88 V CB -1.362 30.441 31.823 -0.033 0.000 0.915 88 V HN 0.934 nan 8.190 nan 0.000 0.467 89 F N 4.623 124.534 119.950 -0.065 0.000 2.512 89 F HA 0.500 5.020 4.527 -0.011 0.000 0.296 89 F C 0.588 176.349 175.800 -0.065 0.000 1.110 89 F CA 0.360 58.329 58.000 -0.051 0.000 1.446 89 F CB 0.566 39.551 39.000 -0.025 0.000 1.092 89 F HN 0.509 nan 8.300 nan 0.000 0.554 90 L N 0.504 121.674 121.223 -0.088 0.000 2.611 90 L HA 0.268 4.602 4.340 -0.011 0.000 0.260 90 L C -1.059 175.722 176.870 -0.148 0.000 0.924 90 L CA -0.576 54.145 54.840 -0.200 0.000 0.901 90 L CB 1.663 43.615 42.059 -0.178 0.000 1.369 90 L HN -0.250 nan 8.230 nan 0.000 0.415 91 E N 1.369 121.454 120.200 -0.193 0.000 2.373 91 E HA 0.119 4.462 4.350 -0.011 0.000 0.267 91 E C 0.775 177.284 176.600 -0.153 0.000 1.032 91 E CA 0.144 56.449 56.400 -0.158 0.000 0.889 91 E CB 0.617 30.216 29.700 -0.167 0.000 0.984 91 E HN 0.580 nan 8.360 nan 0.000 0.425 92 N N 0.509 119.145 118.700 -0.106 0.000 2.272 92 N HA -0.180 4.554 4.740 -0.011 0.000 0.185 92 N C 0.319 175.777 175.510 -0.087 0.000 1.014 92 N CA 1.201 54.200 53.050 -0.085 0.000 0.870 92 N CB -0.154 38.295 38.487 -0.064 0.000 0.975 92 N HN 0.223 nan 8.380 nan 0.000 0.433 93 S N -2.467 113.166 115.700 -0.111 0.000 2.484 93 S HA 0.295 4.758 4.470 -0.011 0.000 0.242 93 S C 0.635 175.122 174.600 -0.189 0.000 1.158 93 S CA -0.726 57.408 58.200 -0.110 0.000 1.162 93 S CB 0.031 63.183 63.200 -0.079 0.000 0.850 93 S HN 0.141 nan 8.310 nan 0.000 0.477 94 T N 1.010 115.369 114.554 -0.325 0.000 2.896 94 T HA 0.135 4.478 4.350 -0.011 0.000 0.263 94 T C 0.099 174.357 174.700 -0.737 0.000 1.050 94 T CA 0.955 62.683 62.100 -0.620 0.000 1.140 94 T CB -0.351 67.922 68.868 -0.992 0.000 0.877 94 T HN 0.581 nan 8.240 nan 0.000 0.457 95 F N 1.099 120.953 119.950 -0.160 0.000 2.923 95 F HA 0.406 4.926 4.527 -0.011 0.000 0.314 95 F C 1.007 176.791 175.800 -0.028 0.000 1.196 95 F CA -1.218 56.716 58.000 -0.110 0.000 1.320 95 F CB -0.069 38.758 39.000 -0.289 0.000 0.953 95 F HN -0.021 nan 8.300 nan 0.000 0.505 96 D N 0.410 120.842 120.400 0.053 0.000 2.234 96 D HA -0.086 4.547 4.640 -0.011 0.000 0.205 96 D C 1.962 178.296 176.300 0.057 0.000 0.962 96 D CA 1.073 55.097 54.000 0.040 0.000 0.855 96 D CB 0.368 41.160 40.800 -0.014 0.000 0.951 96 D HN 0.143 nan 8.370 nan 0.000 0.500 97 E N -0.434 119.806 120.200 0.067 0.000 2.285 97 E HA -0.112 4.231 4.350 -0.011 0.000 0.194 97 E C 1.782 178.429 176.600 0.077 0.000 0.997 97 E CA -0.003 56.426 56.400 0.049 0.000 0.845 97 E CB -0.348 29.372 29.700 0.033 0.000 0.782 97 E HN 0.380 nan 8.360 nan 0.000 0.491 98 F N 1.545 121.501 119.950 0.011 0.000 2.115 98 F HA -0.282 4.238 4.527 -0.011 0.000 0.300 98 F C 1.840 177.562 175.800 -0.130 0.000 1.092 98 F CA 2.483 60.478 58.000 -0.007 0.000 1.245 98 F CB -0.063 38.959 39.000 0.037 0.000 0.995 98 F HN 0.244 nan 8.300 nan 0.000 0.481 99 G N -2.092 106.709 108.800 0.002 0.000 2.284 99 G HA2 -0.235 3.719 3.960 -0.011 0.000 0.230 99 G HA3 -0.235 3.719 3.960 -0.011 0.000 0.230 99 G C 0.397 175.116 174.900 -0.302 0.000 1.021 99 G CA 0.244 45.195 45.100 -0.248 0.000 0.619 99 G HN 0.537 nan 8.290 nan 0.000 0.510 100 H N 0.394 119.575 119.070 0.185 0.000 2.693 100 H HA 0.675 5.225 4.556 -0.011 0.000 0.348 100 H C -0.239 175.167 175.328 0.130 0.000 1.222 100 H CA 0.101 56.241 56.048 0.152 0.000 1.270 100 H CB 1.335 31.150 29.762 0.088 0.000 1.798 100 H HN 0.185 nan 8.280 nan 0.000 0.592 101 S N 1.766 117.608 115.700 0.237 0.000 2.489 101 S HA 0.175 4.639 4.470 -0.011 0.000 0.277 101 S C 0.661 175.283 174.600 0.036 0.000 1.230 101 S CA -0.712 57.548 58.200 0.100 0.000 1.053 101 S CB 0.149 63.400 63.200 0.086 0.000 0.955 101 S HN 0.271 nan 8.310 nan 0.000 0.488 102 I N 4.139 124.668 120.570 -0.069 0.000 2.357 102 I HA 0.072 4.235 4.170 -0.011 0.000 0.300 102 I C 1.439 177.527 176.117 -0.050 0.000 1.159 102 I CA 0.002 61.223 61.300 -0.131 0.000 1.339 102 I CB -1.279 36.598 38.000 -0.205 0.000 1.458 102 I HN 0.665 nan 8.210 nan 0.000 0.577 103 N N 4.741 123.416 118.700 -0.042 0.000 2.028 103 N HA -0.150 4.583 4.740 -0.011 0.000 0.194 103 N C 0.410 175.870 175.510 -0.083 0.000 1.050 103 N CA 1.642 54.638 53.050 -0.090 0.000 0.848 103 N CB 0.374 38.782 38.487 -0.131 0.000 1.038 103 N HN 0.702 nan 8.380 nan 0.000 0.423 104 D N -3.379 116.995 120.400 -0.044 0.000 2.664 104 D HA 0.333 4.966 4.640 -0.011 0.000 0.292 104 D C -1.702 174.658 176.300 0.100 0.000 1.214 104 D CA -0.706 53.282 54.000 -0.020 0.000 0.932 104 D CB 0.909 41.659 40.800 -0.083 0.000 1.420 104 D HN 0.186 nan 8.370 nan 0.000 0.471 105 Y N -1.692 118.631 120.300 0.038 0.000 2.609 105 Y HA 0.751 5.294 4.550 -0.011 0.000 0.336 105 Y C -1.365 174.632 175.900 0.162 0.000 1.129 105 Y CA -1.089 57.057 58.100 0.077 0.000 1.040 105 Y CB 1.617 40.096 38.460 0.031 0.000 1.310 105 Y HN 0.221 nan 8.280 nan 0.000 0.460 106 S N 2.541 118.477 115.700 0.394 0.000 2.619 106 S HA 0.674 5.137 4.470 -0.011 0.000 0.280 106 S C -1.564 173.391 174.600 0.591 0.000 1.150 106 S CA -0.682 57.768 58.200 0.417 0.000 0.978 106 S CB 0.555 63.981 63.200 0.376 0.000 1.041 106 S HN 0.601 nan 8.310 nan 0.000 0.485 107 I N 4.562 125.383 120.570 0.419 0.000 2.365 107 I HA 0.274 4.437 4.170 -0.011 0.000 0.291 107 I C 1.051 177.066 176.117 -0.170 0.000 1.004 107 I CA -0.425 61.014 61.300 0.231 0.000 1.311 107 I CB 0.949 39.073 38.000 0.207 0.000 1.401 107 I HN 0.810 nan 8.210 nan 0.000 0.491 108 S N 6.763 122.004 115.700 -0.764 0.000 2.552 108 S HA 0.115 4.578 4.470 -0.011 0.000 0.289 108 S C -1.762 172.559 174.600 -0.465 0.000 1.304 108 S CA -0.717 56.639 58.200 -1.406 0.000 1.063 108 S CB 0.456 62.754 63.200 -1.504 0.000 0.848 108 S HN 0.450 nan 8.310 nan 0.000 0.499 109 P HA -0.142 nan 4.420 nan 0.000 0.218 109 P C 0.931 178.207 177.300 -0.039 0.000 1.148 109 P CA 1.488 64.540 63.100 -0.081 0.000 0.822 109 P CB -0.114 31.564 31.700 -0.035 0.000 0.784 110 D N -1.250 119.123 120.400 -0.045 0.000 2.347 110 D HA 0.032 4.665 4.640 -0.011 0.000 0.215 110 D C 1.011 177.317 176.300 0.009 0.000 0.976 110 D CA 0.759 54.767 54.000 0.013 0.000 0.884 110 D CB -1.168 39.675 40.800 0.072 0.000 0.915 110 D HN 0.148 nan 8.370 nan 0.000 0.526 111 G N 0.406 109.195 108.800 -0.018 0.000 2.473 111 G HA2 -0.274 3.679 3.960 -0.011 0.000 0.289 111 G HA3 -0.274 3.679 3.960 -0.011 0.000 0.289 111 G C 0.225 175.116 174.900 -0.015 0.000 1.084 111 G CA 0.378 45.494 45.100 0.027 0.000 1.215 111 G HN 0.439 nan 8.290 nan 0.000 0.527 112 Q N -1.517 118.218 119.800 -0.109 0.000 2.506 112 Q HA 0.332 4.665 4.340 -0.011 0.000 0.239 112 Q C 0.246 175.931 176.000 -0.525 0.000 0.782 112 Q CA 0.268 55.859 55.803 -0.352 0.000 0.972 112 Q CB 0.901 29.326 28.738 -0.520 0.000 1.304 112 Q HN 0.503 nan 8.270 nan 0.000 0.534 113 F N 0.659 120.543 119.950 -0.111 0.000 2.522 113 F HA 0.534 5.055 4.527 -0.011 0.000 0.324 113 F C -0.421 175.463 175.800 0.141 0.000 1.077 113 F CA -1.086 56.929 58.000 0.025 0.000 0.944 113 F CB 1.884 40.905 39.000 0.034 0.000 1.175 113 F HN -0.097 nan 8.300 nan 0.000 0.468 114 I N 3.836 124.718 120.570 0.521 0.000 2.436 114 I HA 0.438 4.601 4.170 -0.011 0.000 0.289 114 I C -1.585 174.856 176.117 0.540 0.000 1.010 114 I CA -1.070 60.525 61.300 0.492 0.000 1.098 114 I CB 1.261 39.482 38.000 0.369 0.000 1.266 114 I HN 0.513 nan 8.210 nan 0.000 0.434 115 L N 8.534 130.118 121.223 0.602 0.000 2.290 115 L HA 0.482 4.816 4.340 -0.011 0.000 0.284 115 L C -1.270 175.771 176.870 0.285 0.000 1.078 115 L CA 0.158 55.252 54.840 0.423 0.000 0.815 115 L CB 0.888 43.134 42.059 0.312 0.000 1.162 115 L HN 0.525 nan 8.230 nan 0.000 0.435 116 L N 4.970 126.307 121.223 0.190 0.000 2.329 116 L HA 0.548 4.882 4.340 -0.011 0.000 0.279 116 L C -0.266 176.675 176.870 0.119 0.000 1.014 116 L CA -0.514 54.346 54.840 0.033 0.000 0.814 116 L CB 1.772 43.645 42.059 -0.309 0.000 1.257 116 L HN 0.616 nan 8.230 nan 0.000 0.424 117 E N 3.233 123.439 120.200 0.010 0.000 2.155 117 E HA 0.424 4.767 4.350 -0.011 0.000 0.264 117 E C -1.811 174.743 176.600 -0.076 0.000 0.886 117 E CA -0.547 55.719 56.400 -0.224 0.000 0.752 117 E CB 1.345 30.922 29.700 -0.205 0.000 1.133 117 E HN 0.442 nan 8.360 nan 0.000 0.414 118 Y N 1.474 121.610 120.300 -0.275 0.000 2.638 118 Y HA 0.492 5.035 4.550 -0.011 0.000 0.339 118 Y C -0.164 175.643 175.900 -0.155 0.000 1.084 118 Y CA -1.694 56.318 58.100 -0.146 0.000 1.068 118 Y CB 0.661 39.095 38.460 -0.043 0.000 1.294 118 Y HN 0.452 nan 8.280 nan 0.000 0.480 119 N N -0.190 118.507 118.700 -0.004 0.000 2.756 119 N HA -0.283 4.450 4.740 -0.011 0.000 0.248 119 N C -1.234 174.231 175.510 -0.074 0.000 1.062 119 N CA 0.762 53.771 53.050 -0.068 0.000 0.696 119 N CB -1.671 36.703 38.487 -0.188 0.000 0.946 119 N HN 0.872 nan 8.380 nan 0.000 0.548 120 Y N 0.236 120.452 120.300 -0.140 0.000 2.605 120 Y HA 0.279 4.822 4.550 -0.011 0.000 0.336 120 Y C 0.041 175.892 175.900 -0.081 0.000 1.111 120 Y CA 0.050 58.057 58.100 -0.155 0.000 1.422 120 Y CB 0.615 38.951 38.460 -0.205 0.000 1.193 120 Y HN 0.038 nan 8.280 nan 0.000 0.526 121 V N 8.518 128.140 119.914 -0.486 0.000 2.327 121 V HA 0.164 4.277 4.120 -0.011 0.000 0.272 121 V C -0.131 175.661 176.094 -0.504 0.000 1.019 121 V CA -1.243 60.828 62.300 -0.381 0.000 0.814 121 V CB 0.902 32.614 31.823 -0.186 0.000 1.040 121 V HN 0.702 nan 8.190 nan 0.000 0.440 122 K N 3.256 123.277 120.400 -0.632 0.000 2.436 122 K HA 0.148 4.461 4.320 -0.011 0.000 0.275 122 K C 0.559 176.992 176.600 -0.277 0.000 0.999 122 K CA 0.354 56.383 56.287 -0.430 0.000 0.980 122 K CB 1.052 33.457 32.500 -0.158 0.000 0.919 122 K HN 0.750 nan 8.250 nan 0.000 0.484 123 Q N 2.948 122.565 119.800 -0.306 0.000 2.429 123 Q HA 0.144 4.478 4.340 -0.011 0.000 0.230 123 Q C 0.093 175.913 176.000 -0.300 0.000 0.970 123 Q CA -0.206 55.250 55.803 -0.578 0.000 0.778 123 Q CB 0.065 28.243 28.738 -0.932 0.000 2.016 123 Q HN 0.714 nan 8.270 nan 0.000 0.543 124 W N 0.146 121.418 121.300 -0.046 0.000 1.836 124 W HA 0.332 4.986 4.660 -0.011 0.000 0.628 124 W C 1.801 178.289 176.519 -0.052 0.000 1.626 124 W CA -0.769 56.573 57.345 -0.005 0.000 1.714 124 W CB -0.111 29.306 29.460 -0.072 0.000 3.166 124 W HN 0.247 nan 8.180 nan 0.000 0.772 125 R N -0.537 120.046 120.500 0.139 0.000 2.115 125 R HA -0.130 4.203 4.340 -0.011 0.000 0.230 125 R C 1.514 177.613 176.300 -0.336 0.000 1.111 125 R CA 1.614 57.622 56.100 -0.155 0.000 0.976 125 R CB -0.290 29.800 30.300 -0.349 0.000 0.870 125 R HN 0.517 nan 8.270 nan 0.000 0.445 126 H N -1.473 117.658 119.070 0.101 0.000 2.926 126 H HA 0.130 4.679 4.556 -0.011 0.000 0.249 126 H C 0.576 175.949 175.328 0.075 0.000 0.963 126 H CA 0.464 56.581 56.048 0.115 0.000 1.158 126 H CB 0.221 30.015 29.762 0.054 0.000 1.445 126 H HN 0.125 nan 8.280 nan 0.000 0.452 127 S N 1.497 117.159 115.700 -0.062 0.000 2.576 127 S HA 0.344 4.807 4.470 -0.011 0.000 0.276 127 S C -0.327 174.095 174.600 -0.296 0.000 1.339 127 S CA -0.422 57.424 58.200 -0.591 0.000 1.039 127 S CB 0.400 62.747 63.200 -1.421 0.000 0.902 127 S HN 0.394 nan 8.310 nan 0.000 0.516 128 Y N -2.264 117.891 120.300 -0.242 0.000 2.604 128 Y HA 0.649 5.192 4.550 -0.011 0.000 0.331 128 Y C -0.679 175.201 175.900 -0.033 0.000 1.158 128 Y CA -1.168 56.802 58.100 -0.217 0.000 1.056 128 Y CB 0.621 38.916 38.460 -0.275 0.000 1.330 128 Y HN 0.571 nan 8.280 nan 0.000 0.457 129 T N 1.952 116.557 114.554 0.085 0.000 2.902 129 T HA 0.895 5.238 4.350 -0.011 0.000 0.283 129 T C -0.676 174.101 174.700 0.127 0.000 1.009 129 T CA 0.240 62.408 62.100 0.114 0.000 1.051 129 T CB 0.929 69.797 68.868 0.000 0.000 0.999 129 T HN 1.128 nan 8.240 nan 0.000 0.474 130 A N 1.930 124.828 122.820 0.130 0.000 2.612 130 A HA 0.717 5.030 4.320 -0.011 0.000 0.293 130 A C -0.788 176.616 177.584 -0.300 0.000 1.075 130 A CA -0.765 51.194 52.037 -0.129 0.000 0.680 130 A CB 1.418 20.293 19.000 -0.208 0.000 1.279 130 A HN 0.650 nan 8.150 nan 0.000 0.411 131 S N -0.046 115.263 115.700 -0.652 0.000 2.525 131 S HA 0.736 5.199 4.470 -0.011 0.000 0.290 131 S C -1.461 172.463 174.600 -1.127 0.000 1.152 131 S CA -0.029 57.692 58.200 -0.799 0.000 1.072 131 S CB 0.482 63.078 63.200 -1.007 0.000 1.027 131 S HN 0.434 nan 8.310 nan 0.000 0.500 132 Y N 0.628 120.650 120.300 -0.464 0.000 2.406 132 Y HA 0.449 4.992 4.550 -0.011 0.000 0.340 132 Y C -0.515 175.434 175.900 0.082 0.000 0.975 132 Y CA -0.980 57.025 58.100 -0.158 0.000 1.056 132 Y CB 1.669 40.009 38.460 -0.200 0.000 1.210 132 Y HN 0.475 nan 8.280 nan 0.000 0.448 133 D N 3.077 123.754 120.400 0.463 0.000 2.505 133 D HA 0.502 5.135 4.640 -0.011 0.000 0.249 133 D C -0.402 176.087 176.300 0.315 0.000 1.082 133 D CA -0.297 53.939 54.000 0.393 0.000 0.839 133 D CB 1.782 42.906 40.800 0.540 0.000 1.317 133 D HN 0.359 nan 8.370 nan 0.000 0.497 134 I N 1.380 122.114 120.570 0.273 0.000 2.834 134 I HA 0.358 4.522 4.170 -0.011 0.000 0.305 134 I C -0.651 175.738 176.117 0.454 0.000 1.008 134 I CA -0.835 60.674 61.300 0.348 0.000 1.273 134 I CB 0.874 39.047 38.000 0.288 0.000 1.432 134 I HN 0.315 nan 8.210 nan 0.000 0.557 135 Y N 2.463 122.984 120.300 0.369 0.000 2.323 135 Y HA 0.229 4.773 4.550 -0.011 0.000 0.322 135 Y C -0.947 175.131 175.900 0.296 0.000 1.133 135 Y CA -1.080 57.214 58.100 0.323 0.000 1.093 135 Y CB 1.191 39.848 38.460 0.328 0.000 1.203 135 Y HN 0.520 nan 8.280 nan 0.000 0.427 136 D N 5.564 125.895 120.400 -0.114 0.000 2.358 136 D HA 0.030 4.663 4.640 -0.011 0.000 0.258 136 D C 0.579 176.598 176.300 -0.469 0.000 1.223 136 D CA 0.411 54.184 54.000 -0.379 0.000 0.886 136 D CB 1.338 41.936 40.800 -0.337 0.000 1.120 136 D HN 0.870 nan 8.370 nan 0.000 0.482 137 L N 4.192 125.250 121.223 -0.275 0.000 2.240 137 L HA -0.018 4.315 4.340 -0.011 0.000 0.211 137 L C 1.659 178.414 176.870 -0.193 0.000 1.106 137 L CA 0.914 55.691 54.840 -0.106 0.000 0.793 137 L CB -0.066 41.974 42.059 -0.032 0.000 0.927 137 L HN 0.431 nan 8.230 nan 0.000 0.446 138 N N -0.524 118.012 118.700 -0.273 0.000 2.106 138 N HA -0.162 4.571 4.740 -0.011 0.000 0.188 138 N C 1.226 176.621 175.510 -0.191 0.000 1.029 138 N CA 1.167 54.087 53.050 -0.216 0.000 0.848 138 N CB 0.071 38.418 38.487 -0.233 0.000 1.007 138 N HN 0.289 nan 8.380 nan 0.000 0.423 139 K N 0.738 121.000 120.400 -0.231 0.000 2.379 139 K HA 0.166 4.480 4.320 -0.011 0.000 0.194 139 K C -0.400 176.073 176.600 -0.213 0.000 1.031 139 K CA 0.061 56.236 56.287 -0.187 0.000 1.037 139 K CB 0.496 32.901 32.500 -0.159 0.000 0.824 139 K HN 0.130 nan 8.250 nan 0.000 0.516 140 R N 2.026 122.336 120.500 -0.317 0.000 3.084 140 R HA -0.190 4.143 4.340 -0.011 0.000 0.258 140 R C -0.861 175.178 176.300 -0.436 0.000 0.914 140 R CA 0.539 56.417 56.100 -0.370 0.000 0.646 140 R CB -2.159 28.088 30.300 -0.088 0.000 1.330 140 R HN 0.517 nan 8.270 nan 0.000 0.465 141 Q N -0.230 119.100 119.800 -0.784 0.000 2.426 141 Q HA 0.467 4.800 4.340 -0.011 0.000 0.278 141 Q C -1.010 174.869 176.000 -0.202 0.000 1.007 141 Q CA -1.362 54.242 55.803 -0.333 0.000 0.850 141 Q CB 1.325 29.980 28.738 -0.139 0.000 1.427 141 Q HN 0.009 nan 8.270 nan 0.000 0.391 142 L N 2.609 123.920 121.223 0.148 0.000 2.410 142 L HA 0.351 4.684 4.340 -0.011 0.000 0.273 142 L C 0.067 177.017 176.870 0.133 0.000 1.152 142 L CA 0.069 55.063 54.840 0.256 0.000 0.855 142 L CB 0.167 42.385 42.059 0.264 0.000 1.129 142 L HN 0.701 nan 8.230 nan 0.000 0.463 143 I N 3.377 124.037 120.570 0.151 0.000 2.322 143 I HA 0.069 4.232 4.170 -0.011 0.000 0.292 143 I C 1.227 177.386 176.117 0.070 0.000 1.060 143 I CA -0.048 61.313 61.300 0.102 0.000 1.309 143 I CB 0.966 39.037 38.000 0.120 0.000 1.415 143 I HN 0.700 nan 8.210 nan 0.000 0.492 144 T N 0.767 115.345 114.554 0.039 0.000 3.022 144 T HA 0.081 4.424 4.350 -0.011 0.000 0.250 144 T C 0.559 175.256 174.700 -0.006 0.000 1.060 144 T CA -0.308 61.801 62.100 0.015 0.000 1.013 144 T CB -0.010 68.863 68.868 0.008 0.000 0.982 144 T HN 0.596 nan 8.240 nan 0.000 0.508 145 E N 2.158 122.356 120.200 -0.004 0.000 2.216 145 E HA 0.190 4.534 4.350 -0.011 0.000 0.279 145 E C -0.732 175.847 176.600 -0.035 0.000 0.997 145 E CA -0.505 55.883 56.400 -0.020 0.000 0.817 145 E CB 0.692 30.385 29.700 -0.012 0.000 1.096 145 E HN 0.155 nan 8.360 nan 0.000 0.393 146 E N 1.740 121.904 120.200 -0.061 0.000 2.393 146 E HA -0.216 4.127 4.350 -0.011 0.000 0.169 146 E C -0.600 175.935 176.600 -0.108 0.000 1.591 146 E CA 0.650 56.995 56.400 -0.091 0.000 0.661 146 E CB -1.052 28.601 29.700 -0.077 0.000 1.097 146 E HN 0.580 nan 8.360 nan 0.000 0.356 147 R N 0.359 120.777 120.500 -0.137 0.000 2.580 147 R HA 0.547 4.880 4.340 -0.011 0.000 0.267 147 R C 1.061 177.191 176.300 -0.284 0.000 1.125 147 R CA -0.734 55.274 56.100 -0.154 0.000 1.188 147 R CB 0.653 30.881 30.300 -0.119 0.000 1.155 147 R HN 0.171 nan 8.270 nan 0.000 0.586 148 I N 3.641 124.018 120.570 -0.322 0.000 2.379 148 I HA 0.145 4.308 4.170 -0.011 0.000 0.290 148 I C -1.692 174.106 176.117 -0.533 0.000 1.063 148 I CA -2.037 58.910 61.300 -0.590 0.000 1.351 148 I CB 0.790 38.468 38.000 -0.538 0.000 1.410 148 I HN 0.293 nan 8.210 nan 0.000 0.505 149 P HA -0.017 nan 4.420 nan 0.000 0.268 149 P C -0.664 176.438 177.300 -0.329 0.000 1.208 149 P CA -0.181 62.519 63.100 -0.667 0.000 0.777 149 P CB 0.406 31.259 31.700 -1.411 0.000 0.875 150 N N 1.813 120.416 118.700 -0.162 0.000 2.454 150 N HA -0.048 4.685 4.740 -0.011 0.000 0.254 150 N C 0.345 175.938 175.510 0.139 0.000 1.228 150 N CA 0.470 53.500 53.050 -0.033 0.000 0.900 150 N CB -0.667 37.816 38.487 -0.008 0.000 1.089 150 N HN 0.430 nan 8.380 nan 0.000 0.449 151 N N -1.213 117.540 118.700 0.089 0.000 2.783 151 N HA -0.166 4.567 4.740 -0.011 0.000 0.247 151 N C -1.017 174.651 175.510 0.264 0.000 1.089 151 N CA 0.414 53.547 53.050 0.139 0.000 0.690 151 N CB -1.284 37.266 38.487 0.104 0.000 0.991 151 N HN 0.449 nan 8.380 nan 0.000 0.552 152 T N 0.438 115.146 114.554 0.257 0.000 2.870 152 T HA 0.048 4.392 4.350 -0.011 0.000 0.300 152 T C 1.470 176.332 174.700 0.271 0.000 0.989 152 T CA 0.074 62.336 62.100 0.269 0.000 1.139 152 T CB 1.147 70.058 68.868 0.073 0.000 0.920 152 T HN 0.198 nan 8.240 nan 0.000 0.537 153 Q N 2.003 121.945 119.800 0.237 0.000 2.212 153 Q HA 0.118 4.451 4.340 -0.011 0.000 0.199 153 Q C 0.133 176.298 176.000 0.274 0.000 0.950 153 Q CA 0.550 56.504 55.803 0.251 0.000 0.863 153 Q CB 0.601 29.420 28.738 0.135 0.000 0.944 153 Q HN 0.726 nan 8.270 nan 0.000 0.465 154 W N 0.050 121.309 121.300 -0.067 0.000 4.179 154 W HA 0.348 5.001 4.660 -0.011 0.000 0.279 154 W C -2.404 174.009 176.519 -0.176 0.000 1.268 154 W CA -0.641 56.618 57.345 -0.144 0.000 1.284 154 W CB 0.753 30.070 29.460 -0.237 0.000 1.216 154 W HN -0.372 nan 8.180 nan 0.000 0.509 155 V N 4.011 123.248 119.914 -1.128 0.000 2.555 155 V HA 0.693 4.806 4.120 -0.011 0.000 0.302 155 V C -0.147 175.224 176.094 -1.205 0.000 1.038 155 V CA -0.598 61.092 62.300 -1.017 0.000 0.887 155 V CB 1.537 32.709 31.823 -1.086 0.000 0.991 155 V HN 0.472 nan 8.190 nan 0.000 0.434 156 T N 3.662 117.842 114.554 -0.623 0.000 2.928 156 T HA 0.502 4.846 4.350 -0.011 0.000 0.296 156 T C -0.845 173.894 174.700 0.065 0.000 1.000 156 T CA -0.338 61.633 62.100 -0.215 0.000 0.989 156 T CB 0.582 69.567 68.868 0.196 0.000 1.005 156 T HN 0.555 nan 8.240 nan 0.000 0.442 157 W N 3.184 124.534 121.300 0.083 0.000 2.034 157 W HA 0.379 5.033 4.660 -0.011 0.000 0.357 157 W C 1.408 177.804 176.519 -0.205 0.000 1.326 157 W CA -0.648 56.695 57.345 -0.003 0.000 1.318 157 W CB 0.469 29.920 29.460 -0.015 0.000 1.193 157 W HN 0.785 nan 8.180 nan 0.000 0.620 158 S N 0.598 116.035 115.700 -0.440 0.000 2.617 158 S HA 0.170 4.633 4.470 -0.011 0.000 0.259 158 S C -1.854 172.528 174.600 -0.364 0.000 1.301 158 S CA -0.923 56.546 58.200 -1.218 0.000 0.984 158 S CB 0.646 63.093 63.200 -1.255 0.000 0.954 158 S HN 0.272 nan 8.310 nan 0.000 0.572 159 P HA 0.126 nan 4.420 nan 0.000 0.227 159 P C 0.048 177.323 177.300 -0.041 0.000 1.161 159 P CA 0.422 63.506 63.100 -0.027 0.000 0.788 159 P CB -0.169 31.555 31.700 0.040 0.000 0.822 160 V N -5.901 113.946 119.914 -0.113 0.000 3.007 160 V HA 0.901 5.014 4.120 -0.011 0.000 0.311 160 V C 0.348 176.364 176.094 -0.129 0.000 1.120 160 V CA -0.308 61.943 62.300 -0.083 0.000 0.980 160 V CB 1.071 32.863 31.823 -0.051 0.000 1.033 160 V HN 0.405 nan 8.190 nan 0.000 0.429 161 G N 2.668 111.424 108.800 -0.074 0.000 2.498 161 G HA2 -0.125 3.828 3.960 -0.011 0.000 0.245 161 G HA3 -0.125 3.828 3.960 -0.011 0.000 0.245 161 G C 0.160 175.040 174.900 -0.033 0.000 1.204 161 G CA 0.682 45.744 45.100 -0.063 0.000 0.933 161 G HN 2.514 nan 8.290 nan 0.000 0.574 162 H N -0.404 118.618 119.070 -0.079 0.000 3.043 162 H HA 0.378 4.928 4.556 -0.011 0.000 0.244 162 H C 0.399 175.807 175.328 0.133 0.000 1.199 162 H CA -0.050 55.954 56.048 -0.075 0.000 0.956 162 H CB -0.301 29.428 29.762 -0.056 0.000 2.305 162 H HN 0.535 nan 8.280 nan 0.000 0.665 163 K N 1.352 121.688 120.400 -0.107 0.000 2.380 163 K HA 0.267 4.580 4.320 -0.011 0.000 0.267 163 K C -0.719 175.961 176.600 0.134 0.000 0.990 163 K CA -0.330 55.911 56.287 -0.078 0.000 0.946 163 K CB 1.125 33.402 32.500 -0.371 0.000 0.937 163 K HN 0.072 nan 8.250 nan 0.000 0.491 164 L N 1.140 122.491 121.223 0.213 0.000 2.470 164 L HA 0.442 4.775 4.340 -0.011 0.000 0.268 164 L C -1.593 175.460 176.870 0.305 0.000 0.964 164 L CA -0.123 54.833 54.840 0.194 0.000 0.839 164 L CB 1.864 43.880 42.059 -0.072 0.000 1.276 164 L HN 0.734 nan 8.230 nan 0.000 0.403 165 A N 4.069 127.092 122.820 0.338 0.000 2.365 165 A HA 0.873 5.186 4.320 -0.011 0.000 0.318 165 A C -1.768 175.791 177.584 -0.043 0.000 1.091 165 A CA -0.371 51.702 52.037 0.060 0.000 0.763 165 A CB 1.118 20.043 19.000 -0.124 0.000 1.248 165 A HN 0.865 nan 8.150 nan 0.000 0.442 166 Y N -0.693 119.528 120.300 -0.132 0.000 2.571 166 Y HA 0.699 5.242 4.550 -0.011 0.000 0.341 166 Y C -1.222 174.655 175.900 -0.039 0.000 1.076 166 Y CA -1.553 56.440 58.100 -0.177 0.000 1.029 166 Y CB 0.828 39.122 38.460 -0.276 0.000 1.308 166 Y HN 0.427 nan 8.280 nan 0.000 0.461 167 V N 2.326 122.340 119.914 0.167 0.000 2.483 167 V HA 0.458 4.572 4.120 -0.011 0.000 0.295 167 V C -1.218 175.094 176.094 0.363 0.000 1.035 167 V CA -0.614 61.776 62.300 0.149 0.000 0.896 167 V CB 1.315 33.127 31.823 -0.019 0.000 0.986 167 V HN 0.910 nan 8.190 nan 0.000 0.447 168 W N 4.310 125.707 121.300 0.161 0.000 3.439 168 W HA 0.429 5.083 4.660 -0.011 0.000 0.323 168 W C 0.193 176.764 176.519 0.086 0.000 1.174 168 W CA -0.642 56.779 57.345 0.127 0.000 1.224 168 W CB 1.192 30.733 29.460 0.134 0.000 1.348 168 W HN 0.762 nan 8.180 nan 0.000 0.498 169 N N 5.280 123.567 118.700 -0.689 0.000 2.708 169 N HA -0.352 4.382 4.740 -0.011 0.000 0.249 169 N C -0.064 175.242 175.510 -0.339 0.000 1.097 169 N CA 1.271 53.909 53.050 -0.685 0.000 0.710 169 N CB -1.070 36.750 38.487 -1.112 0.000 1.032 169 N HN 0.853 nan 8.380 nan 0.000 0.551 170 N N -1.116 117.457 118.700 -0.213 0.000 2.776 170 N HA -0.155 4.578 4.740 -0.011 0.000 0.250 170 N C -1.455 173.956 175.510 -0.164 0.000 1.112 170 N CA 0.869 53.815 53.050 -0.173 0.000 0.733 170 N CB -0.395 37.943 38.487 -0.249 0.000 1.097 170 N HN 0.414 nan 8.380 nan 0.000 0.558 171 D N 0.394 120.715 120.400 -0.131 0.000 2.601 171 D HA 0.475 5.108 4.640 -0.011 0.000 0.230 171 D C -0.088 176.043 176.300 -0.281 0.000 1.106 171 D CA -0.417 53.434 54.000 -0.249 0.000 0.873 171 D CB 1.766 42.373 40.800 -0.320 0.000 1.515 171 D HN -0.004 nan 8.370 nan 0.000 0.468 172 I N 1.714 121.961 120.570 -0.537 0.000 2.365 172 I HA 0.253 4.417 4.170 -0.011 0.000 0.291 172 I C -0.609 175.063 176.117 -0.742 0.000 1.004 172 I CA -0.381 60.584 61.300 -0.558 0.000 1.311 172 I CB 0.509 38.096 38.000 -0.689 0.000 1.401 172 I HN 0.145 nan 8.210 nan 0.000 0.491 173 Y N 4.321 124.230 120.300 -0.651 0.000 2.485 173 Y HA 0.707 5.250 4.550 -0.011 0.000 0.345 173 Y C -0.325 175.216 175.900 -0.598 0.000 0.998 173 Y CA -1.027 56.652 58.100 -0.701 0.000 1.059 173 Y CB 2.137 39.942 38.460 -1.092 0.000 1.234 173 Y HN 0.133 nan 8.280 nan 0.000 0.461 174 V N 2.818 122.661 119.914 -0.117 0.000 2.638 174 V HA 0.400 4.513 4.120 -0.011 0.000 0.306 174 V C -0.903 175.298 176.094 0.178 0.000 1.052 174 V CA -1.408 60.919 62.300 0.045 0.000 0.885 174 V CB 1.937 33.826 31.823 0.109 0.000 0.999 174 V HN 0.635 nan 8.190 nan 0.000 0.424 175 K N 4.570 125.073 120.400 0.171 0.000 2.265 175 K HA 0.511 4.824 4.320 -0.011 0.000 0.267 175 K C 0.472 177.180 176.600 0.180 0.000 0.994 175 K CA -0.741 55.641 56.287 0.159 0.000 0.860 175 K CB 1.858 34.417 32.500 0.098 0.000 1.099 175 K HN 0.453 nan 8.250 nan 0.000 0.448 176 I N 1.011 121.702 120.570 0.202 0.000 2.439 176 I HA -0.062 4.102 4.170 -0.011 0.000 0.251 176 I C 0.326 176.486 176.117 0.071 0.000 1.139 176 I CA 1.333 62.709 61.300 0.126 0.000 1.438 176 I CB -0.383 37.703 38.000 0.143 0.000 1.085 176 I HN 0.542 nan 8.210 nan 0.000 0.427 177 E N 0.181 120.440 120.200 0.099 0.000 2.256 177 E HA 0.282 4.625 4.350 -0.011 0.000 0.268 177 E C -1.927 174.687 176.600 0.023 0.000 0.877 177 E CA -1.961 54.499 56.400 0.101 0.000 0.757 177 E CB 2.117 31.892 29.700 0.125 0.000 1.183 177 E HN -0.187 nan 8.360 nan 0.000 0.418 178 P HA -0.226 nan 4.420 nan 0.000 0.218 178 P C 0.915 178.180 177.300 -0.058 0.000 1.150 178 P CA 1.548 64.563 63.100 -0.142 0.000 0.841 178 P CB 0.297 31.722 31.700 -0.458 0.000 0.784 179 N N -1.596 117.092 118.700 -0.020 0.000 2.392 179 N HA -0.005 4.728 4.740 -0.011 0.000 0.177 179 N C 0.744 176.252 175.510 -0.003 0.000 1.066 179 N CA 0.134 53.190 53.050 0.009 0.000 0.895 179 N CB -0.333 38.183 38.487 0.048 0.000 0.988 179 N HN 0.179 nan 8.380 nan 0.000 0.457 180 L N 1.769 122.993 121.223 0.001 0.000 2.475 180 L HA 0.245 4.578 4.340 -0.011 0.000 0.250 180 L C -1.760 175.068 176.870 -0.070 0.000 1.224 180 L CA -1.579 53.250 54.840 -0.019 0.000 0.821 180 L CB 0.174 42.239 42.059 0.011 0.000 1.141 180 L HN 0.016 nan 8.230 nan 0.000 0.494 181 P HA 0.074 nan 4.420 nan 0.000 0.274 181 P C -1.077 176.068 177.300 -0.258 0.000 1.256 181 P CA -0.386 62.603 63.100 -0.185 0.000 0.795 181 P CB 0.746 32.317 31.700 -0.216 0.000 1.038 182 S N 0.106 115.690 115.700 -0.193 0.000 2.585 182 S HA 0.384 4.847 4.470 -0.011 0.000 0.277 182 S C -0.546 173.942 174.600 -0.186 0.000 1.241 182 S CA -0.169 57.964 58.200 -0.112 0.000 1.041 182 S CB -0.023 63.197 63.200 0.033 0.000 0.987 182 S HN 0.256 nan 8.310 nan 0.000 0.512 183 Y N 1.317 121.648 120.300 0.051 0.000 2.335 183 Y HA 0.386 4.929 4.550 -0.011 0.000 0.339 183 Y C 0.720 176.570 175.900 -0.082 0.000 0.987 183 Y CA -0.630 57.485 58.100 0.024 0.000 1.140 183 Y CB 0.684 39.153 38.460 0.015 0.000 1.173 183 Y HN 0.498 nan 8.280 nan 0.000 0.486 184 R N 3.677 124.176 120.500 -0.002 0.000 2.220 184 R HA 0.268 4.601 4.340 -0.011 0.000 0.340 184 R C 0.064 176.201 176.300 -0.271 0.000 1.076 184 R CA 0.003 55.817 56.100 -0.476 0.000 0.920 184 R CB 0.102 29.936 30.300 -0.777 0.000 1.062 184 R HN 0.841 nan 8.270 nan 0.000 0.469 185 I N 2.055 122.394 120.570 -0.386 0.000 2.406 185 I HA -0.111 4.053 4.170 -0.011 0.000 0.249 185 I C 0.953 176.945 176.117 -0.209 0.000 1.122 185 I CA 1.080 62.240 61.300 -0.233 0.000 1.431 185 I CB -0.000 37.807 38.000 -0.322 0.000 1.087 185 I HN 0.600 nan 8.210 nan 0.000 0.424 186 T N -3.824 110.486 114.554 -0.408 0.000 2.876 186 T HA 0.369 4.712 4.350 -0.011 0.000 0.289 186 T C -0.944 173.574 174.700 -0.304 0.000 1.014 186 T CA -0.581 61.358 62.100 -0.269 0.000 0.986 186 T CB 1.247 69.890 68.868 -0.375 0.000 1.021 186 T HN 0.144 nan 8.240 nan 0.000 0.458 187 W N 1.649 122.834 121.300 -0.193 0.000 1.894 187 W HA 0.349 5.002 4.660 -0.011 0.000 0.342 187 W C 1.242 177.698 176.519 -0.105 0.000 0.861 187 W CA -0.576 56.691 57.345 -0.130 0.000 2.584 187 W CB 0.366 29.773 29.460 -0.089 0.000 1.373 187 W HN 1.004 nan 8.180 nan 0.000 0.599 188 T N -4.241 110.325 114.554 0.020 0.000 3.087 188 T HA 0.261 4.604 4.350 -0.011 0.000 0.283 188 T C 1.029 175.699 174.700 -0.050 0.000 0.956 188 T CA -0.058 62.043 62.100 0.001 0.000 0.894 188 T CB 0.141 69.009 68.868 0.000 0.000 1.160 188 T HN 0.017 nan 8.240 nan 0.000 0.532 189 G N 1.767 110.505 108.800 -0.104 0.000 2.367 189 G HA2 0.373 4.326 3.960 -0.011 0.000 0.282 189 G HA3 0.373 4.326 3.960 -0.011 0.000 0.282 189 G C -0.531 174.272 174.900 -0.162 0.000 1.140 189 G CA -0.288 44.723 45.100 -0.147 0.000 1.088 189 G HN 0.443 nan 8.290 nan 0.000 0.431 190 K N 2.597 122.897 120.400 -0.166 0.000 2.394 190 K HA 0.174 4.487 4.320 -0.011 0.000 0.260 190 K C 0.306 176.769 176.600 -0.228 0.000 0.967 190 K CA -0.635 55.559 56.287 -0.156 0.000 0.855 190 K CB 1.135 33.582 32.500 -0.088 0.000 1.101 190 K HN 0.625 nan 8.250 nan 0.000 0.433 191 E N 3.400 123.467 120.200 -0.222 0.000 2.765 191 E HA -0.193 4.150 4.350 -0.011 0.000 0.256 191 E C -0.703 175.791 176.600 -0.177 0.000 0.935 191 E CA 0.907 57.171 56.400 -0.227 0.000 0.954 191 E CB 0.194 29.803 29.700 -0.152 0.000 0.908 191 E HN 0.654 nan 8.360 nan 0.000 0.500 192 D N 2.265 122.536 120.400 -0.214 0.000 3.077 192 D HA -0.225 4.408 4.640 -0.011 0.000 0.212 192 D C 0.064 176.415 176.300 0.086 0.000 1.125 192 D CA 1.511 55.533 54.000 0.037 0.000 0.970 192 D CB -1.083 39.771 40.800 0.091 0.000 1.110 192 D HN 0.494 nan 8.370 nan 0.000 0.419 193 I N -1.320 119.213 120.570 -0.063 0.000 3.814 193 I HA 0.126 4.289 4.170 -0.011 0.000 0.264 193 I C 0.154 176.333 176.117 0.102 0.000 1.145 193 I CA 0.055 61.396 61.300 0.068 0.000 1.375 193 I CB 0.540 38.557 38.000 0.029 0.000 1.638 193 I HN -0.150 nan 8.210 nan 0.000 0.432 194 I N 1.362 121.894 120.570 -0.064 0.000 2.389 194 I HA 0.297 4.460 4.170 -0.011 0.000 0.288 194 I C -1.453 174.610 176.117 -0.090 0.000 0.999 194 I CA -0.536 60.782 61.300 0.029 0.000 1.129 194 I CB 0.616 38.626 38.000 0.017 0.000 1.288 194 I HN 0.061 nan 8.210 nan 0.000 0.444 195 Y N 4.719 125.104 120.300 0.142 0.000 2.334 195 Y HA 0.385 4.928 4.550 -0.011 0.000 0.336 195 Y C 0.385 176.357 175.900 0.120 0.000 0.960 195 Y CA -0.624 57.564 58.100 0.146 0.000 1.164 195 Y CB 1.164 39.777 38.460 0.255 0.000 1.155 195 Y HN 0.414 nan 8.280 nan 0.000 0.478 196 N N 2.666 121.419 118.700 0.089 0.000 2.558 196 N HA 0.324 5.057 4.740 -0.011 0.000 0.242 196 N C 0.695 176.125 175.510 -0.134 0.000 0.979 196 N CA 0.343 53.367 53.050 -0.043 0.000 0.931 196 N CB 1.649 40.009 38.487 -0.213 0.000 1.122 196 N HN 0.984 nan 8.380 nan 0.000 0.508 197 G N 1.668 110.427 108.800 -0.068 0.000 2.157 197 G HA2 -0.243 3.711 3.960 -0.011 0.000 0.248 197 G HA3 -0.243 3.711 3.960 -0.011 0.000 0.248 197 G C 0.014 174.773 174.900 -0.236 0.000 0.979 197 G CA 0.478 45.467 45.100 -0.185 0.000 0.650 197 G HN 0.618 nan 8.290 nan 0.000 0.529 198 I N -1.663 118.832 120.570 -0.125 0.000 2.769 198 I HA 0.767 4.930 4.170 -0.011 0.000 0.298 198 I C 0.370 176.458 176.117 -0.048 0.000 1.128 198 I CA -0.712 60.404 61.300 -0.307 0.000 1.031 198 I CB 1.911 39.527 38.000 -0.641 0.000 1.235 198 I HN 0.188 nan 8.210 nan 0.000 0.423 199 T N -0.101 114.339 114.554 -0.191 0.000 2.828 199 T HA 0.361 4.704 4.350 -0.011 0.000 0.290 199 T C -0.069 174.351 174.700 -0.466 0.000 1.019 199 T CA -0.517 61.275 62.100 -0.513 0.000 1.031 199 T CB 1.007 69.738 68.868 -0.230 0.000 1.001 199 T HN 0.779 nan 8.240 nan 0.000 0.531 200 D N 0.085 119.979 120.400 -0.844 0.000 2.478 200 D HA 0.063 4.696 4.640 -0.011 0.000 0.274 200 D C 1.031 177.264 176.300 -0.112 0.000 1.234 200 D CA -1.090 52.481 54.000 -0.715 0.000 1.069 200 D CB -0.151 40.148 40.800 -0.836 0.000 1.113 200 D HN 0.713 nan 8.370 nan 0.000 0.571 201 W N -0.091 121.174 121.300 -0.059 0.000 2.333 201 W HA -0.226 4.428 4.660 -0.011 0.000 0.316 201 W C 2.184 178.629 176.519 -0.123 0.000 1.215 201 W CA 2.310 59.634 57.345 -0.036 0.000 1.278 201 W CB -0.491 28.898 29.460 -0.118 0.000 1.154 201 W HN 0.152 nan 8.180 nan 0.000 0.486 202 V N -0.045 120.000 119.914 0.219 0.000 2.343 202 V HA -0.324 3.789 4.120 -0.011 0.000 0.247 202 V C 1.920 177.889 176.094 -0.208 0.000 1.051 202 V CA 2.121 64.440 62.300 0.031 0.000 1.036 202 V CB -0.785 31.035 31.823 -0.004 0.000 0.654 202 V HN 0.297 nan 8.190 nan 0.000 0.451 203 Y N 0.216 120.377 120.300 -0.233 0.000 2.439 203 Y HA -0.104 4.439 4.550 -0.011 0.000 0.292 203 Y C 2.496 178.325 175.900 -0.118 0.000 1.130 203 Y CA 1.688 59.675 58.100 -0.188 0.000 1.254 203 Y CB 0.014 38.295 38.460 -0.298 0.000 1.000 203 Y HN 0.384 nan 8.280 nan 0.000 0.554 204 E N 0.339 120.504 120.200 -0.059 0.000 2.016 204 E HA -0.249 4.094 4.350 -0.011 0.000 0.190 204 E C 1.983 178.531 176.600 -0.086 0.000 0.985 204 E CA 1.304 57.687 56.400 -0.030 0.000 0.802 204 E CB 0.062 29.730 29.700 -0.053 0.000 0.762 204 E HN 0.363 nan 8.360 nan 0.000 0.448 205 E N 0.225 120.181 120.200 -0.406 0.000 2.072 205 E HA -0.162 4.181 4.350 -0.011 0.000 0.191 205 E C 1.525 178.012 176.600 -0.188 0.000 0.985 205 E CA 1.481 57.635 56.400 -0.410 0.000 0.801 205 E CB 0.218 29.339 29.700 -0.965 0.000 0.750 205 E HN 0.198 nan 8.360 nan 0.000 0.452 206 E N -1.145 118.928 120.200 -0.211 0.000 2.485 206 E HA 0.117 4.461 4.350 -0.011 0.000 0.213 206 E C 1.614 178.101 176.600 -0.189 0.000 0.923 206 E CA 0.386 56.707 56.400 -0.130 0.000 1.054 206 E CB 1.123 30.737 29.700 -0.142 0.000 1.077 206 E HN 0.192 nan 8.360 nan 0.000 0.509 207 V N -0.631 119.126 119.914 -0.262 0.000 2.840 207 V HA 0.116 4.229 4.120 -0.011 0.000 0.234 207 V C 1.528 177.390 176.094 -0.388 0.000 1.159 207 V CA 0.674 62.728 62.300 -0.409 0.000 1.194 207 V CB -0.227 31.219 31.823 -0.629 0.000 0.971 207 V HN 0.029 nan 8.190 nan 0.000 0.494 208 F N 0.339 120.309 119.950 0.034 0.000 2.656 208 F HA 0.237 4.757 4.527 -0.011 0.000 0.291 208 F C 1.565 177.337 175.800 -0.046 0.000 1.122 208 F CA 0.666 58.701 58.000 0.059 0.000 1.427 208 F CB 0.304 39.390 39.000 0.144 0.000 1.125 208 F HN 0.074 nan 8.300 nan 0.000 0.583 209 S N 0.383 116.111 115.700 0.048 0.000 3.635 209 S HA -0.033 4.431 4.470 -0.011 0.000 0.328 209 S C -0.066 174.122 174.600 -0.686 0.000 1.135 209 S CA 0.301 58.399 58.200 -0.170 0.000 0.942 209 S CB -1.816 61.337 63.200 -0.079 0.000 0.930 209 S HN 0.650 nan 8.310 nan 0.000 0.512 210 A N -0.830 121.785 122.820 -0.341 0.000 2.566 210 A HA 0.707 5.021 4.320 -0.011 0.000 0.290 210 A C -0.362 177.166 177.584 -0.093 0.000 1.071 210 A CA -0.354 51.477 52.037 -0.344 0.000 0.658 210 A CB 0.209 19.024 19.000 -0.309 0.000 1.285 210 A HN 0.318 nan 8.150 nan 0.000 0.427 211 Y N 1.134 121.228 120.300 -0.342 0.000 2.397 211 Y HA 0.060 4.603 4.550 -0.011 0.000 0.292 211 Y C 1.717 177.318 175.900 -0.499 0.000 1.115 211 Y CA 0.909 58.816 58.100 -0.321 0.000 1.208 211 Y CB 0.231 38.519 38.460 -0.286 0.000 1.046 211 Y HN 0.825 nan 8.280 nan 0.000 0.552 212 S N 0.721 115.910 115.700 -0.852 0.000 2.568 212 S HA 0.320 4.783 4.470 -0.011 0.000 0.282 212 S C 0.164 174.269 174.600 -0.825 0.000 1.338 212 S CA -0.080 57.451 58.200 -1.115 0.000 1.045 212 S CB 1.548 63.825 63.200 -1.537 0.000 0.873 212 S HN 0.376 nan 8.310 nan 0.000 0.516 213 A N 2.804 125.124 122.820 -0.833 0.000 2.676 213 A HA 0.538 4.851 4.320 -0.011 0.000 0.258 213 A C -0.391 176.433 177.584 -1.267 0.000 0.898 213 A CA -0.594 50.826 52.037 -1.028 0.000 1.087 213 A CB -0.049 18.794 19.000 -0.262 0.000 1.214 213 A HN 0.759 nan 8.150 nan 0.000 0.474 214 L N 0.723 121.165 121.223 -1.302 0.000 2.381 214 L HA 0.568 4.901 4.340 -0.011 0.000 0.274 214 L C -1.174 175.256 176.870 -0.733 0.000 0.988 214 L CA -0.474 53.910 54.840 -0.759 0.000 0.824 214 L CB 1.636 43.458 42.059 -0.395 0.000 1.263 214 L HN 0.432 nan 8.230 nan 0.000 0.410 215 W N 2.639 123.989 121.300 0.084 0.000 2.543 215 W HA 0.252 4.905 4.660 -0.011 0.000 0.318 215 W C -0.972 175.786 176.519 0.398 0.000 1.002 215 W CA -1.108 56.403 57.345 0.276 0.000 1.302 215 W CB 1.198 30.866 29.460 0.347 0.000 1.299 215 W HN 0.487 nan 8.180 nan 0.000 0.424 216 W N 2.183 123.712 121.300 0.383 0.000 2.137 216 W HA 0.183 4.836 4.660 -0.012 0.000 0.344 216 W C 1.315 177.628 176.519 -0.343 0.000 1.286 216 W CA 0.373 57.791 57.345 0.121 0.000 1.240 216 W CB 0.603 30.101 29.460 0.064 0.000 1.141 216 W HN 0.199 nan 8.180 nan 0.000 0.579 217 S N 2.607 117.953 115.700 -0.590 0.000 2.580 217 S HA 0.191 4.654 4.470 -0.011 0.000 0.274 217 S C -1.645 172.719 174.600 -0.392 0.000 1.329 217 S CA -1.098 56.281 58.200 -1.368 0.000 1.036 217 S CB 1.298 63.655 63.200 -1.404 0.000 0.919 217 S HN 0.265 nan 8.310 nan 0.000 0.515 218 P HA -0.270 nan 4.420 nan 0.000 0.225 218 P C 0.991 178.265 177.300 -0.043 0.000 1.154 218 P CA 2.191 65.267 63.100 -0.040 0.000 0.933 218 P CB -0.285 31.426 31.700 0.018 0.000 0.790 219 N N -2.299 116.366 118.700 -0.058 0.000 2.412 219 N HA 0.088 4.822 4.740 -0.011 0.000 0.184 219 N C 1.183 176.625 175.510 -0.112 0.000 1.101 219 N CA 1.065 54.077 53.050 -0.063 0.000 0.881 219 N CB -0.844 37.623 38.487 -0.034 0.000 0.969 219 N HN 0.278 nan 8.380 nan 0.000 0.459 220 G N -1.351 107.393 108.800 -0.094 0.000 2.157 220 G HA2 -0.310 3.644 3.960 -0.011 0.000 0.239 220 G HA3 -0.310 3.644 3.960 -0.011 0.000 0.239 220 G C 0.937 175.871 174.900 0.057 0.000 0.982 220 G CA 0.603 45.651 45.100 -0.087 0.000 0.650 220 G HN 0.354 nan 8.290 nan 0.000 0.527 221 T N 0.003 114.528 114.554 -0.049 0.000 2.746 221 T HA 0.135 4.478 4.350 -0.011 0.000 0.267 221 T C 0.778 175.278 174.700 -0.333 0.000 1.039 221 T CA 1.407 63.355 62.100 -0.253 0.000 1.142 221 T CB -0.099 68.513 68.868 -0.428 0.000 0.866 221 T HN 0.350 nan 8.240 nan 0.000 0.444 222 F N 0.261 120.264 119.950 0.087 0.000 2.469 222 F HA 0.603 5.124 4.527 -0.011 0.000 0.332 222 F C -0.322 175.577 175.800 0.166 0.000 1.103 222 F CA -1.489 56.599 58.000 0.146 0.000 0.979 222 F CB 1.299 40.443 39.000 0.239 0.000 1.137 222 F HN -0.119 nan 8.300 nan 0.000 0.463 223 L N 3.354 124.712 121.223 0.226 0.000 2.294 223 L HA 0.782 5.115 4.340 -0.011 0.000 0.283 223 L C -0.426 176.537 176.870 0.155 0.000 1.015 223 L CA -0.388 54.400 54.840 -0.086 0.000 0.831 223 L CB 0.672 42.420 42.059 -0.519 0.000 1.217 223 L HN 0.694 nan 8.230 nan 0.000 0.420 224 A N 5.057 128.045 122.820 0.280 0.000 2.301 224 A HA 0.696 5.009 4.320 -0.011 0.000 0.312 224 A C -1.255 176.408 177.584 0.131 0.000 1.182 224 A CA -0.282 51.836 52.037 0.136 0.000 0.826 224 A CB 0.362 19.552 19.000 0.318 0.000 1.134 224 A HN 0.797 nan 8.150 nan 0.000 0.501 225 Y N -1.014 119.096 120.300 -0.317 0.000 2.644 225 Y HA 0.813 5.356 4.550 -0.011 0.000 0.338 225 Y C -0.310 175.413 175.900 -0.296 0.000 1.119 225 Y CA -1.063 56.906 58.100 -0.219 0.000 1.060 225 Y CB 1.053 39.372 38.460 -0.236 0.000 1.294 225 Y HN 0.888 nan 8.280 nan 0.000 0.472 226 A N 1.609 124.500 122.820 0.118 0.000 2.355 226 A HA 0.654 4.967 4.320 -0.011 0.000 0.324 226 A C -1.356 176.197 177.584 -0.051 0.000 1.117 226 A CA -0.872 51.133 52.037 -0.054 0.000 0.785 226 A CB 1.728 20.600 19.000 -0.214 0.000 1.254 226 A HN 0.845 nan 8.150 nan 0.000 0.453 227 Q N 1.568 121.309 119.800 -0.099 0.000 2.333 227 Q HA 0.621 4.955 4.340 -0.011 0.000 0.268 227 Q C -1.987 173.884 176.000 -0.216 0.000 1.007 227 Q CA -0.338 55.470 55.803 0.009 0.000 0.810 227 Q CB 0.760 29.663 28.738 0.275 0.000 1.264 227 Q HN 0.555 nan 8.270 nan 0.000 0.452 228 F N 2.373 122.423 119.950 0.166 0.000 2.422 228 F HA 0.430 4.950 4.527 -0.011 0.000 0.333 228 F C 0.439 176.377 175.800 0.230 0.000 1.095 228 F CA -0.852 57.224 58.000 0.128 0.000 1.038 228 F CB 1.375 40.377 39.000 0.003 0.000 1.156 228 F HN 0.515 nan 8.300 nan 0.000 0.483 229 N N 1.663 120.581 118.700 0.364 0.000 2.483 229 N HA 0.224 4.957 4.740 -0.011 0.000 0.267 229 N C -1.029 174.652 175.510 0.286 0.000 0.998 229 N CA -0.370 52.855 53.050 0.290 0.000 0.918 229 N CB 1.119 39.723 38.487 0.196 0.000 1.215 229 N HN 0.541 nan 8.380 nan 0.000 0.500 230 D N 1.159 121.746 120.400 0.313 0.000 2.424 230 D HA 0.134 4.767 4.640 -0.011 0.000 0.220 230 D C 1.140 177.556 176.300 0.194 0.000 1.150 230 D CA 0.152 54.314 54.000 0.269 0.000 0.831 230 D CB 0.607 41.618 40.800 0.351 0.000 0.981 230 D HN 0.469 nan 8.370 nan 0.000 0.500 231 T N 0.225 114.874 114.554 0.159 0.000 2.635 231 T HA -0.201 4.142 4.350 -0.011 0.000 0.267 231 T C 1.499 176.257 174.700 0.096 0.000 1.040 231 T CA 1.259 63.427 62.100 0.113 0.000 1.156 231 T CB -0.066 68.857 68.868 0.092 0.000 0.863 231 T HN 0.317 nan 8.240 nan 0.000 0.430 232 E N 0.559 120.816 120.200 0.095 0.000 2.474 232 E HA 0.124 4.467 4.350 -0.011 0.000 0.194 232 E C -0.025 176.624 176.600 0.082 0.000 1.041 232 E CA -0.207 56.239 56.400 0.076 0.000 0.874 232 E CB 0.262 30.000 29.700 0.064 0.000 0.914 232 E HN 0.234 nan 8.360 nan 0.000 0.498 233 V N 4.366 124.343 119.914 0.105 0.000 2.493 233 V HA -0.008 4.106 4.120 -0.011 0.000 0.292 233 V C -1.905 174.247 176.094 0.097 0.000 1.016 233 V CA -0.916 61.450 62.300 0.110 0.000 1.097 233 V CB -0.205 31.702 31.823 0.140 0.000 0.947 233 V HN 0.039 nan 8.190 nan 0.000 0.479 234 P HA 0.220 nan 4.420 nan 0.000 0.272 234 P C -0.800 176.541 177.300 0.068 0.000 1.254 234 P CA -0.391 62.748 63.100 0.066 0.000 0.795 234 P CB 0.472 32.209 31.700 0.062 0.000 1.022 235 L N 1.086 122.328 121.223 0.031 0.000 2.325 235 L HA 0.373 4.706 4.340 -0.011 0.000 0.281 235 L C -0.146 176.687 176.870 -0.061 0.000 1.004 235 L CA -0.557 54.287 54.840 0.007 0.000 0.823 235 L CB 1.227 43.285 42.059 -0.001 0.000 1.236 235 L HN 0.254 nan 8.230 nan 0.000 0.415 236 I N 3.439 123.936 120.570 -0.121 0.000 2.533 236 I HA 0.155 4.318 4.170 -0.011 0.000 0.284 236 I C -0.117 175.868 176.117 -0.219 0.000 1.109 236 I CA 0.450 61.574 61.300 -0.293 0.000 1.412 236 I CB 0.317 37.883 38.000 -0.724 0.000 1.396 236 I HN 0.599 nan 8.210 nan 0.000 0.543 237 E N 7.713 127.798 120.200 -0.192 0.000 2.176 237 E HA 0.497 4.840 4.350 -0.011 0.000 0.267 237 E C -1.671 174.869 176.600 -0.100 0.000 0.893 237 E CA -0.552 55.740 56.400 -0.181 0.000 0.761 237 E CB 1.730 31.349 29.700 -0.136 0.000 1.133 237 E HN 0.552 nan 8.360 nan 0.000 0.409 238 Y N -1.470 118.740 120.300 -0.151 0.000 2.609 238 Y HA 0.528 5.072 4.550 -0.011 0.000 0.336 238 Y C -0.924 174.899 175.900 -0.128 0.000 1.129 238 Y CA -1.323 56.693 58.100 -0.141 0.000 1.040 238 Y CB 0.857 39.235 38.460 -0.138 0.000 1.310 238 Y HN 0.185 nan 8.280 nan 0.000 0.460 239 S N 2.567 118.266 115.700 -0.002 0.000 2.523 239 S HA 0.429 4.892 4.470 -0.011 0.000 0.275 239 S C -1.265 173.160 174.600 -0.291 0.000 1.281 239 S CA -0.401 57.643 58.200 -0.259 0.000 1.050 239 S CB 0.167 63.079 63.200 -0.479 0.000 0.937 239 S HN 0.543 nan 8.310 nan 0.000 0.492 240 F N 2.754 122.465 119.950 -0.398 0.000 2.444 240 F HA 0.412 4.932 4.527 -0.011 0.000 0.342 240 F C -0.006 175.570 175.800 -0.373 0.000 1.121 240 F CA -0.765 57.069 58.000 -0.277 0.000 0.997 240 F CB 0.779 39.742 39.000 -0.061 0.000 1.130 240 F HN 0.669 nan 8.300 nan 0.000 0.454 241 Y N 2.780 122.893 120.300 -0.313 0.000 2.503 241 Y HA 0.104 4.647 4.550 -0.011 0.000 0.278 241 Y C 1.685 177.529 175.900 -0.093 0.000 1.111 241 Y CA 0.868 58.874 58.100 -0.157 0.000 1.270 241 Y CB -0.415 37.941 38.460 -0.173 0.000 1.063 241 Y HN 0.767 nan 8.280 nan 0.000 0.548 242 S N 0.053 115.697 115.700 -0.094 0.000 3.109 242 S HA -0.299 4.164 4.470 -0.011 0.000 0.632 242 S C -0.163 174.490 174.600 0.089 0.000 2.927 242 S CA 0.538 58.829 58.200 0.152 0.000 3.233 242 S CB -1.243 62.147 63.200 0.315 0.000 0.325 242 S HN 0.507 nan 8.310 nan 0.000 1.720 243 D N 1.544 122.012 120.400 0.113 0.000 2.364 243 D HA 0.241 4.874 4.640 -0.011 0.000 0.236 243 D C 1.440 177.771 176.300 0.051 0.000 1.221 243 D CA 0.812 54.855 54.000 0.071 0.000 0.891 243 D CB 0.298 41.140 40.800 0.071 0.000 1.190 243 D HN 0.629 nan 8.370 nan 0.000 0.449 244 E N -0.499 119.718 120.200 0.028 0.000 2.409 244 E HA -0.168 4.176 4.350 -0.011 0.000 0.198 244 E C 1.216 177.824 176.600 0.013 0.000 1.024 244 E CA 0.972 57.379 56.400 0.011 0.000 0.861 244 E CB -0.054 29.644 29.700 -0.003 0.000 0.788 244 E HN 0.295 nan 8.360 nan 0.000 0.521 245 S N 0.562 116.278 115.700 0.026 0.000 2.461 245 S HA -0.022 4.441 4.470 -0.011 0.000 0.228 245 S C 1.071 175.692 174.600 0.035 0.000 1.005 245 S CA -0.214 58.002 58.200 0.026 0.000 0.942 245 S CB -0.305 62.914 63.200 0.032 0.000 0.776 245 S HN 0.323 nan 8.310 nan 0.000 0.514 246 L N 2.163 123.418 121.223 0.054 0.000 2.462 246 L HA 0.130 4.463 4.340 -0.011 0.000 0.272 246 L C 1.457 178.350 176.870 0.040 0.000 1.166 246 L CA 0.137 55.020 54.840 0.071 0.000 0.880 246 L CB 1.074 43.198 42.059 0.108 0.000 1.142 246 L HN 0.450 nan 8.230 nan 0.000 0.473 247 Q N 3.766 123.581 119.800 0.025 0.000 2.200 247 Q HA -0.004 4.329 4.340 -0.011 0.000 0.197 247 Q C -0.551 175.335 176.000 -0.191 0.000 0.953 247 Q CA 0.619 56.367 55.803 -0.092 0.000 0.851 247 Q CB 0.307 28.979 28.738 -0.110 0.000 0.938 247 Q HN 0.592 nan 8.270 nan 0.000 0.488 248 Y N 1.588 121.909 120.300 0.035 0.000 2.335 248 Y HA 0.333 4.876 4.550 -0.011 0.000 0.339 248 Y C -2.029 173.895 175.900 0.041 0.000 0.987 248 Y CA -2.735 55.385 58.100 0.032 0.000 1.140 248 Y CB 1.013 39.482 38.460 0.015 0.000 1.173 248 Y HN 0.185 nan 8.280 nan 0.000 0.486 249 P HA -0.042 nan 4.420 nan 0.000 0.264 249 P C -0.482 176.849 177.300 0.052 0.000 1.183 249 P CA -0.157 63.004 63.100 0.102 0.000 0.763 249 P CB 0.591 32.343 31.700 0.086 0.000 0.807 250 K N 2.067 122.484 120.400 0.028 0.000 2.174 250 K HA 0.278 4.591 4.320 -0.011 0.000 0.275 250 K C -0.679 175.884 176.600 -0.062 0.000 1.015 250 K CA -0.205 56.089 56.287 0.012 0.000 0.933 250 K CB 0.457 32.993 32.500 0.060 0.000 1.025 250 K HN 0.330 nan 8.250 nan 0.000 0.463 251 T N 3.585 118.083 114.554 -0.093 0.000 2.801 251 T HA 0.204 4.547 4.350 -0.011 0.000 0.306 251 T C -0.379 174.186 174.700 -0.224 0.000 1.020 251 T CA -0.652 61.353 62.100 -0.159 0.000 0.948 251 T CB 0.844 69.637 68.868 -0.125 0.000 0.962 251 T HN 0.306 nan 8.240 nan 0.000 0.465 252 V N 4.852 124.533 119.914 -0.388 0.000 2.686 252 V HA 0.383 4.496 4.120 -0.011 0.000 0.295 252 V C 0.551 176.374 176.094 -0.452 0.000 1.055 252 V CA -0.392 61.625 62.300 -0.471 0.000 1.050 252 V CB 0.552 31.930 31.823 -0.743 0.000 0.984 252 V HN 0.720 nan 8.190 nan 0.000 0.482 253 R N 2.936 123.299 120.500 -0.228 0.000 2.473 253 R HA 0.635 4.968 4.340 -0.011 0.000 0.303 253 R C -1.671 174.631 176.300 0.003 0.000 1.002 253 R CA -0.501 55.520 56.100 -0.131 0.000 0.884 253 R CB 2.063 32.312 30.300 -0.086 0.000 1.173 253 R HN 0.545 nan 8.270 nan 0.000 0.464 254 V N 3.518 123.447 119.914 0.026 0.000 2.448 254 V HA 0.387 4.500 4.120 -0.011 0.000 0.295 254 V C -2.290 173.880 176.094 0.128 0.000 1.025 254 V CA -2.670 59.725 62.300 0.158 0.000 0.859 254 V CB 1.885 33.790 31.823 0.136 0.000 0.988 254 V HN 0.572 nan 8.190 nan 0.000 0.431 255 P HA 0.187 nan 4.420 nan 0.000 0.270 255 P C -1.277 176.136 177.300 0.189 0.000 1.242 255 P CA 0.380 63.594 63.100 0.190 0.000 0.768 255 P CB -0.201 31.647 31.700 0.248 0.000 0.820 256 Y N 6.324 126.609 120.300 -0.025 0.000 2.315 256 Y HA 0.398 4.941 4.550 -0.011 0.000 0.324 256 Y C -2.668 173.206 175.900 -0.044 0.000 1.062 256 Y CA -2.702 55.330 58.100 -0.113 0.000 1.159 256 Y CB 2.107 40.386 38.460 -0.302 0.000 1.145 256 Y HN 0.289 nan 8.280 nan 0.000 0.442 257 P HA 0.252 nan 4.420 nan 0.000 0.288 257 P C -1.121 176.167 177.300 -0.020 0.000 1.363 257 P CA -0.286 62.812 63.100 -0.003 0.000 0.837 257 P CB 1.066 32.769 31.700 0.004 0.000 0.981 258 K N 2.027 122.547 120.400 0.199 0.000 2.180 258 K HA 0.438 4.751 4.320 -0.011 0.000 0.251 258 K C 0.673 177.371 176.600 0.164 0.000 1.014 258 K CA -0.602 55.833 56.287 0.247 0.000 0.913 258 K CB 0.357 33.045 32.500 0.313 0.000 1.008 258 K HN 0.445 nan 8.250 nan 0.000 0.490 259 A N 0.994 123.942 122.820 0.214 0.000 2.591 259 A HA 0.202 4.515 4.320 -0.011 0.000 0.244 259 A C 1.315 178.943 177.584 0.073 0.000 1.031 259 A CA 1.074 53.224 52.037 0.189 0.000 0.767 259 A CB -1.239 17.965 19.000 0.340 0.000 0.942 259 A HN 0.936 nan 8.150 nan 0.000 0.514 260 G N 0.891 109.722 108.800 0.050 0.000 2.205 260 G HA2 0.106 4.059 3.960 -0.011 0.000 0.261 260 G HA3 0.106 4.059 3.960 -0.011 0.000 0.261 260 G C 0.700 175.612 174.900 0.020 0.000 0.980 260 G CA 0.862 45.963 45.100 0.002 0.000 0.632 260 G HN 2.263 nan 8.290 nan 0.000 0.533 261 A N -0.249 122.599 122.820 0.047 0.000 2.280 261 A HA 0.733 5.046 4.320 -0.011 0.000 0.268 261 A C 0.931 178.547 177.584 0.054 0.000 1.111 261 A CA 0.315 52.383 52.037 0.053 0.000 0.814 261 A CB 0.627 19.672 19.000 0.074 0.000 1.093 261 A HN 1.205 nan 8.150 nan 0.000 0.498 262 V N 2.414 122.361 119.914 0.055 0.000 2.599 262 V HA -0.007 4.106 4.120 -0.011 0.000 0.300 262 V C 0.411 176.553 176.094 0.080 0.000 1.034 262 V CA 0.068 62.404 62.300 0.059 0.000 1.115 262 V CB -0.372 31.486 31.823 0.059 0.000 0.934 262 V HN 0.813 nan 8.190 nan 0.000 0.485 263 N N 5.978 124.730 118.700 0.088 0.000 2.476 263 N HA 0.470 5.204 4.740 -0.011 0.000 0.275 263 N C -2.439 173.169 175.510 0.164 0.000 1.190 263 N CA -1.577 51.554 53.050 0.135 0.000 0.977 263 N CB 0.951 39.533 38.487 0.158 0.000 1.200 263 N HN 0.394 nan 8.380 nan 0.000 0.515 264 P HA 0.062 nan 4.420 nan 0.000 0.271 264 P C -0.238 177.224 177.300 0.271 0.000 1.218 264 P CA -0.094 63.174 63.100 0.280 0.000 0.780 264 P CB 0.290 32.215 31.700 0.375 0.000 0.901 265 T N -0.910 113.768 114.554 0.208 0.000 2.862 265 T HA 0.569 4.912 4.350 -0.011 0.000 0.276 265 T C -0.161 174.640 174.700 0.170 0.000 0.974 265 T CA -0.773 61.402 62.100 0.126 0.000 0.966 265 T CB 1.286 70.198 68.868 0.072 0.000 1.072 265 T HN 0.347 nan 8.240 nan 0.000 0.538 266 V N 0.215 120.189 119.914 0.101 0.000 2.851 266 V HA 0.661 4.774 4.120 -0.011 0.000 0.307 266 V C -1.624 174.546 176.094 0.127 0.000 1.129 266 V CA -0.824 61.525 62.300 0.081 0.000 0.932 266 V CB 2.083 33.994 31.823 0.145 0.000 1.024 266 V HN 1.069 nan 8.190 nan 0.000 0.426 267 K N 4.768 125.202 120.400 0.056 0.000 2.395 267 K HA 0.631 4.944 4.320 -0.011 0.000 0.247 267 K C -1.857 174.706 176.600 -0.062 0.000 0.973 267 K CA -0.580 55.707 56.287 -0.001 0.000 0.828 267 K CB 2.905 35.373 32.500 -0.054 0.000 1.272 267 K HN 0.526 nan 8.250 nan 0.000 0.439 268 F N 1.852 121.538 119.950 -0.440 0.000 2.520 268 F HA 0.556 5.076 4.527 -0.011 0.000 0.322 268 F C -1.483 173.796 175.800 -0.868 0.000 1.103 268 F CA -0.697 57.036 58.000 -0.445 0.000 0.926 268 F CB 0.904 39.810 39.000 -0.157 0.000 1.154 268 F HN 0.378 nan 8.300 nan 0.000 0.453 269 F N 4.049 123.313 119.950 -1.144 0.000 2.588 269 F HA 0.778 5.298 4.527 -0.011 0.000 0.314 269 F C -0.955 174.141 175.800 -1.174 0.000 1.069 269 F CA -1.153 56.232 58.000 -1.025 0.000 0.931 269 F CB 2.110 40.376 39.000 -1.223 0.000 1.260 269 F HN 0.155 nan 8.300 nan 0.000 0.465 270 V N 2.241 121.887 119.914 -0.447 0.000 2.789 270 V HA 0.741 4.854 4.120 -0.011 0.000 0.311 270 V C -1.162 174.992 176.094 0.101 0.000 1.073 270 V CA -0.874 61.276 62.300 -0.249 0.000 0.921 270 V CB 2.061 33.602 31.823 -0.471 0.000 1.009 270 V HN 0.630 nan 8.190 nan 0.000 0.426 271 V N 2.425 122.490 119.914 0.252 0.000 2.962 271 V HA 0.598 4.711 4.120 -0.011 0.000 0.313 271 V C -0.924 175.369 176.094 0.330 0.000 1.099 271 V CA -0.645 61.827 62.300 0.286 0.000 0.971 271 V CB 2.450 34.399 31.823 0.210 0.000 1.028 271 V HN 0.957 nan 8.190 nan 0.000 0.430 272 N N 2.287 121.105 118.700 0.197 0.000 2.426 272 N HA 0.237 4.970 4.740 -0.011 0.000 0.257 272 N C 0.366 175.822 175.510 -0.088 0.000 1.002 272 N CA 0.316 53.329 53.050 -0.061 0.000 0.942 272 N CB 1.669 40.108 38.487 -0.081 0.000 1.112 272 N HN 0.864 nan 8.380 nan 0.000 0.499 273 T N -0.375 114.115 114.554 -0.107 0.000 3.264 273 T HA 0.276 4.620 4.350 -0.011 0.000 0.257 273 T C -0.062 174.584 174.700 -0.090 0.000 0.976 273 T CA -0.247 61.826 62.100 -0.045 0.000 0.908 273 T CB 0.140 69.094 68.868 0.143 0.000 1.082 273 T HN 0.299 nan 8.240 nan 0.000 0.567 274 D N 0.779 121.090 120.400 -0.148 0.000 2.415 274 D HA 0.075 4.708 4.640 -0.011 0.000 0.269 274 D C 1.338 177.568 176.300 -0.117 0.000 1.099 274 D CA 0.392 54.315 54.000 -0.128 0.000 0.865 274 D CB 0.583 41.300 40.800 -0.139 0.000 1.359 274 D HN 0.559 nan 8.370 nan 0.000 0.506 275 S N 0.615 116.243 115.700 -0.119 0.000 2.552 275 S HA 0.244 4.708 4.470 -0.011 0.000 0.246 275 S C 0.282 174.815 174.600 -0.112 0.000 1.019 275 S CA -0.497 57.654 58.200 -0.082 0.000 1.045 275 S CB -0.194 62.983 63.200 -0.038 0.000 0.784 275 S HN -0.078 nan 8.310 nan 0.000 0.453 276 L N 2.952 124.049 121.223 -0.209 0.000 2.315 276 L HA 0.438 4.771 4.340 -0.011 0.000 0.283 276 L C 0.335 176.990 176.870 -0.359 0.000 1.089 276 L CA 0.165 54.788 54.840 -0.362 0.000 0.833 276 L CB 0.909 42.571 42.059 -0.660 0.000 1.170 276 L HN 0.386 nan 8.230 nan 0.000 0.442 277 S N 2.031 117.630 115.700 -0.169 0.000 2.537 277 S HA 0.153 4.617 4.470 -0.011 0.000 0.275 277 S C 1.136 175.815 174.600 0.132 0.000 1.272 277 S CA -0.154 58.035 58.200 -0.019 0.000 1.050 277 S CB 1.088 64.299 63.200 0.018 0.000 0.961 277 S HN 0.724 nan 8.310 nan 0.000 0.496 278 S N 3.202 119.042 115.700 0.233 0.000 2.528 278 S HA 0.066 4.529 4.470 -0.011 0.000 0.219 278 S C 1.165 175.876 174.600 0.186 0.000 0.985 278 S CA 0.410 58.813 58.200 0.338 0.000 0.914 278 S CB 0.020 63.386 63.200 0.276 0.000 0.776 278 S HN 0.620 nan 8.310 nan 0.000 0.526 279 V N 0.304 120.294 119.914 0.126 0.000 3.661 279 V HA 0.354 4.467 4.120 -0.011 0.000 0.271 279 V C 0.353 176.486 176.094 0.064 0.000 1.315 279 V CA 1.005 63.354 62.300 0.082 0.000 1.072 279 V CB 1.025 32.883 31.823 0.059 0.000 0.830 279 V HN 0.470 nan 8.190 nan 0.000 0.443 280 T N 0.208 114.804 114.554 0.071 0.000 2.952 280 T HA 0.366 4.710 4.350 -0.011 0.000 0.305 280 T C -0.769 173.966 174.700 0.059 0.000 1.064 280 T CA -0.601 61.525 62.100 0.042 0.000 1.008 280 T CB 1.177 70.058 68.868 0.022 0.000 1.078 280 T HN 0.187 nan 8.240 nan 0.000 0.459 281 N N 2.734 121.452 118.700 0.030 0.000 2.365 281 N HA 0.340 5.073 4.740 -0.011 0.000 0.265 281 N C 0.135 175.682 175.510 0.061 0.000 1.288 281 N CA 0.281 53.365 53.050 0.057 0.000 0.869 281 N CB 0.644 39.093 38.487 -0.062 0.000 1.071 281 N HN 0.826 nan 8.380 nan 0.000 0.480 282 A N 2.339 125.214 122.820 0.092 0.000 2.522 282 A HA 0.236 4.550 4.320 -0.011 0.000 0.256 282 A C 0.481 178.106 177.584 0.068 0.000 1.086 282 A CA -0.297 51.776 52.037 0.060 0.000 0.763 282 A CB -0.415 18.607 19.000 0.037 0.000 1.024 282 A HN 0.628 nan 8.150 nan 0.000 0.502 283 T N 1.389 115.986 114.554 0.072 0.000 2.744 283 T HA 0.568 4.912 4.350 -0.011 0.000 0.291 283 T C 0.144 174.923 174.700 0.130 0.000 0.957 283 T CA -0.525 61.627 62.100 0.087 0.000 1.002 283 T CB 0.816 69.733 68.868 0.081 0.000 0.919 283 T HN 0.442 nan 8.240 nan 0.000 0.468 284 S N 3.207 118.988 115.700 0.135 0.000 2.616 284 S HA 0.556 5.020 4.470 -0.011 0.000 0.277 284 S C 0.149 174.903 174.600 0.257 0.000 1.234 284 S CA -1.010 57.301 58.200 0.185 0.000 1.028 284 S CB 0.495 63.776 63.200 0.135 0.000 0.988 284 S HN 0.653 nan 8.310 nan 0.000 0.522 285 I N 2.345 123.070 120.570 0.258 0.000 2.312 285 I HA 0.292 4.455 4.170 -0.011 0.000 0.290 285 I C 0.359 176.543 176.117 0.111 0.000 1.008 285 I CA -0.377 61.073 61.300 0.249 0.000 1.226 285 I CB 0.676 38.915 38.000 0.399 0.000 1.371 285 I HN 0.721 nan 8.210 nan 0.000 0.468 286 Q N 6.464 126.295 119.800 0.051 0.000 2.307 286 Q HA 0.344 4.677 4.340 -0.011 0.000 0.261 286 Q C -0.691 175.219 176.000 -0.150 0.000 1.051 286 Q CA -0.288 55.340 55.803 -0.291 0.000 0.911 286 Q CB 0.630 29.134 28.738 -0.390 0.000 1.227 286 Q HN 0.568 nan 8.270 nan 0.000 0.418 287 I N 4.953 125.444 120.570 -0.132 0.000 2.363 287 I HA 0.085 4.249 4.170 -0.011 0.000 0.292 287 I C 0.819 176.897 176.117 -0.064 0.000 1.075 287 I CA -0.342 60.943 61.300 -0.025 0.000 1.333 287 I CB 0.739 38.768 38.000 0.047 0.000 1.415 287 I HN 0.651 nan 8.210 nan 0.000 0.502 288 T N 3.335 117.812 114.554 -0.129 0.000 2.849 288 T HA 0.605 4.948 4.350 -0.011 0.000 0.284 288 T C 0.300 174.749 174.700 -0.418 0.000 1.004 288 T CA -0.942 61.017 62.100 -0.235 0.000 1.021 288 T CB 1.473 70.221 68.868 -0.199 0.000 1.013 288 T HN 0.594 nan 8.240 nan 0.000 0.527 289 A N 2.992 125.363 122.820 -0.749 0.000 2.351 289 A HA 0.592 4.905 4.320 -0.011 0.000 0.257 289 A C -1.882 175.253 177.584 -0.749 0.000 1.087 289 A CA -1.632 49.618 52.037 -1.312 0.000 0.798 289 A CB -0.669 17.306 19.000 -1.708 0.000 1.033 289 A HN 0.816 nan 8.150 nan 0.000 0.488 290 P HA 0.082 nan 4.420 nan 0.000 0.270 290 P C 0.934 178.045 177.300 -0.314 0.000 1.227 290 P CA 0.637 63.528 63.100 -0.349 0.000 0.788 290 P CB 0.512 32.074 31.700 -0.230 0.000 0.926 291 A N 2.279 124.975 122.820 -0.206 0.000 1.884 291 A HA -0.217 4.097 4.320 -0.011 0.000 0.219 291 A C 2.015 179.491 177.584 -0.180 0.000 1.197 291 A CA 2.706 54.639 52.037 -0.173 0.000 0.637 291 A CB -1.874 17.054 19.000 -0.119 0.000 0.827 291 A HN 0.671 nan 8.150 nan 0.000 0.450 292 S N -1.667 113.943 115.700 -0.150 0.000 2.720 292 S HA 0.190 4.653 4.470 -0.011 0.000 0.222 292 S C 1.202 175.696 174.600 -0.177 0.000 0.958 292 S CA 0.815 58.927 58.200 -0.147 0.000 0.943 292 S CB -0.048 63.091 63.200 -0.101 0.000 0.779 292 S HN 0.431 nan 8.310 nan 0.000 0.526 293 M N -0.028 119.412 119.600 -0.267 0.000 2.564 293 M HA 0.371 4.844 4.480 -0.011 0.000 0.254 293 M C 1.440 177.437 176.300 -0.505 0.000 1.299 293 M CA 0.479 55.542 55.300 -0.394 0.000 1.143 293 M CB -0.608 31.646 32.600 -0.576 0.000 1.427 293 M HN 0.335 nan 8.290 nan 0.000 0.538 294 L N 0.198 121.167 121.223 -0.424 0.000 2.465 294 L HA -0.062 4.272 4.340 -0.011 0.000 0.224 294 L C 2.031 178.822 176.870 -0.130 0.000 1.145 294 L CA 0.242 54.921 54.840 -0.269 0.000 0.834 294 L CB -0.458 41.459 42.059 -0.237 0.000 0.944 294 L HN 0.162 nan 8.230 nan 0.000 0.451 295 I N -0.015 120.473 120.570 -0.136 0.000 3.334 295 I HA 0.103 4.266 4.170 -0.011 0.000 0.282 295 I C 0.884 176.965 176.117 -0.060 0.000 1.313 295 I CA 0.196 61.440 61.300 -0.094 0.000 1.396 295 I CB -0.665 37.269 38.000 -0.110 0.000 1.054 295 I HN 0.116 nan 8.210 nan 0.000 0.495 296 G N -1.081 107.703 108.800 -0.026 0.000 2.430 296 G HA2 0.187 4.140 3.960 -0.011 0.000 0.300 296 G HA3 0.187 4.140 3.960 -0.011 0.000 0.300 296 G C -1.735 173.220 174.900 0.092 0.000 1.330 296 G CA -0.826 44.279 45.100 0.008 0.000 0.813 296 G HN -0.025 nan 8.290 nan 0.000 0.487 297 D N 1.292 121.702 120.400 0.016 0.000 2.414 297 D HA 0.453 5.086 4.640 -0.011 0.000 0.242 297 D C 0.592 176.834 176.300 -0.097 0.000 1.129 297 D CA 0.683 54.644 54.000 -0.065 0.000 0.885 297 D CB 0.540 41.274 40.800 -0.111 0.000 1.198 297 D HN 0.628 nan 8.370 nan 0.000 0.437 298 H N -1.274 117.637 119.070 -0.265 0.000 2.905 298 H HA 0.490 5.039 4.556 -0.011 0.000 0.280 298 H C -1.403 173.715 175.328 -0.350 0.000 1.445 298 H CA -0.885 54.972 56.048 -0.319 0.000 1.165 298 H CB 0.401 30.135 29.762 -0.046 0.000 1.857 298 H HN 0.364 nan 8.280 nan 0.000 0.567 299 Y N 0.018 120.554 120.300 0.393 0.000 2.524 299 Y HA 0.374 4.917 4.550 -0.011 0.000 0.347 299 Y C -0.384 175.805 175.900 0.481 0.000 1.005 299 Y CA -1.159 57.197 58.100 0.426 0.000 1.025 299 Y CB 1.893 40.459 38.460 0.176 0.000 1.275 299 Y HN 0.491 nan 8.280 nan 0.000 0.460 300 L N 3.374 124.927 121.223 0.550 0.000 2.369 300 L HA 0.323 4.656 4.340 -0.011 0.000 0.279 300 L C 0.608 177.512 176.870 0.056 0.000 1.108 300 L CA 0.029 54.785 54.840 -0.139 0.000 0.852 300 L CB 0.283 42.093 42.059 -0.416 0.000 1.169 300 L HN 1.043 nan 8.230 nan 0.000 0.452 301 C N 1.099 120.281 119.300 -0.196 0.000 3.188 301 C HA 0.553 5.006 4.460 -0.011 0.000 0.315 301 C C 0.258 175.004 174.990 -0.406 0.000 1.285 301 C CA -0.097 58.718 59.018 -0.338 0.000 1.729 301 C CB -0.797 26.829 27.740 -0.190 0.000 2.257 301 C HN 0.870 nan 8.230 nan 0.000 0.645 302 D N -0.075 120.144 120.400 -0.300 0.000 2.927 302 D HA 0.594 5.227 4.640 -0.011 0.000 0.219 302 D C -1.416 174.624 176.300 -0.433 0.000 1.248 302 D CA -0.127 53.738 54.000 -0.225 0.000 0.861 302 D CB 2.342 43.014 40.800 -0.213 0.000 1.677 302 D HN 0.060 nan 8.370 nan 0.000 0.511 303 V N 2.684 122.281 119.914 -0.529 0.000 2.531 303 V HA 0.748 4.861 4.120 -0.011 0.000 0.301 303 V C -0.469 175.218 176.094 -0.679 0.000 1.034 303 V CA -0.425 61.321 62.300 -0.922 0.000 0.865 303 V CB 1.998 32.769 31.823 -1.753 0.000 0.995 303 V HN 0.732 nan 8.190 nan 0.000 0.424 304 T N 3.291 117.532 114.554 -0.521 0.000 3.172 304 T HA 0.341 4.684 4.350 -0.011 0.000 0.320 304 T C -1.050 173.498 174.700 -0.253 0.000 1.085 304 T CA -0.532 61.426 62.100 -0.236 0.000 1.052 304 T CB 0.908 69.716 68.868 -0.100 0.000 1.107 304 T HN 0.523 nan 8.240 nan 0.000 0.458 305 W N 1.858 123.098 121.300 -0.100 0.000 2.202 305 W HA 0.518 5.171 4.660 -0.012 0.000 0.332 305 W C 1.116 177.517 176.519 -0.197 0.000 1.263 305 W CA -0.271 57.007 57.345 -0.112 0.000 1.223 305 W CB 0.640 30.118 29.460 0.030 0.000 1.128 305 W HN 0.845 nan 8.180 nan 0.000 0.573 306 A N 1.305 124.044 122.820 -0.135 0.000 1.970 306 A HA 0.186 4.499 4.320 -0.011 0.000 0.204 306 A C 1.034 178.600 177.584 -0.031 0.000 1.325 306 A CA 1.503 53.267 52.037 -0.456 0.000 0.767 306 A CB -0.431 17.828 19.000 -1.234 0.000 0.949 306 A HN 0.557 nan 8.150 nan 0.000 0.481 307 T N -5.200 109.414 114.554 0.101 0.000 2.544 307 T HA 0.318 4.662 4.350 -0.011 0.000 0.231 307 T C 0.404 175.232 174.700 0.214 0.000 0.794 307 T CA -0.086 62.104 62.100 0.150 0.000 1.261 307 T CB 0.399 69.341 68.868 0.122 0.000 1.525 307 T HN -0.034 nan 8.240 nan 0.000 0.477 308 Q N 0.217 120.132 119.800 0.192 0.000 2.376 308 Q HA 0.283 4.616 4.340 -0.011 0.000 0.206 308 Q C 0.898 177.097 176.000 0.332 0.000 0.921 308 Q CA 0.878 56.797 55.803 0.194 0.000 0.911 308 Q CB 0.427 29.261 28.738 0.160 0.000 1.032 308 Q HN 0.789 nan 8.270 nan 0.000 0.510 309 E N 0.155 120.552 120.200 0.328 0.000 2.714 309 E HA 0.182 4.526 4.350 -0.011 0.000 0.219 309 E C -0.217 176.594 176.600 0.352 0.000 0.979 309 E CA -0.132 56.450 56.400 0.303 0.000 1.092 309 E CB 1.135 30.953 29.700 0.196 0.000 1.049 309 E HN -0.070 nan 8.360 nan 0.000 0.487 310 R N 1.745 122.471 120.500 0.377 0.000 2.451 310 R HA 0.495 4.828 4.340 -0.011 0.000 0.307 310 R C -1.559 174.757 176.300 0.026 0.000 0.965 310 R CA -0.407 55.809 56.100 0.193 0.000 0.865 310 R CB 1.091 31.406 30.300 0.026 0.000 1.174 310 R HN 0.046 nan 8.270 nan 0.000 0.455 311 I N 3.351 123.794 120.570 -0.212 0.000 2.509 311 I HA 0.376 4.539 4.170 -0.011 0.000 0.293 311 I C -0.710 175.099 176.117 -0.514 0.000 1.020 311 I CA -0.470 60.436 61.300 -0.655 0.000 1.088 311 I CB 2.016 39.191 38.000 -1.374 0.000 1.267 311 I HN 0.780 nan 8.210 nan 0.000 0.430 312 S N 8.119 123.505 115.700 -0.523 0.000 2.462 312 S HA 0.670 5.134 4.470 -0.011 0.000 0.294 312 S C -1.006 173.289 174.600 -0.510 0.000 1.144 312 S CA -0.758 57.207 58.200 -0.392 0.000 1.088 312 S CB 1.356 64.431 63.200 -0.209 0.000 1.009 312 S HN 0.445 nan 8.310 nan 0.000 0.484 313 L N 3.093 124.030 121.223 -0.476 0.000 2.381 313 L HA 0.490 4.823 4.340 -0.011 0.000 0.274 313 L C -0.178 176.393 176.870 -0.499 0.000 0.988 313 L CA -0.289 54.161 54.840 -0.650 0.000 0.824 313 L CB 1.413 43.024 42.059 -0.747 0.000 1.263 313 L HN 0.845 nan 8.230 nan 0.000 0.410 314 Q N 2.734 122.201 119.800 -0.556 0.000 2.325 314 Q HA 0.403 4.736 4.340 -0.011 0.000 0.262 314 Q C -1.399 174.348 176.000 -0.420 0.000 0.968 314 Q CA -0.426 55.168 55.803 -0.348 0.000 0.877 314 Q CB 1.762 30.349 28.738 -0.252 0.000 1.253 314 Q HN 0.431 nan 8.270 nan 0.000 0.448 315 W N 2.582 123.834 121.300 -0.081 0.000 2.570 315 W HA 0.610 5.263 4.660 -0.012 0.000 0.337 315 W C -0.509 176.041 176.519 0.052 0.000 1.067 315 W CA -0.545 56.801 57.345 0.002 0.000 1.229 315 W CB 1.135 30.574 29.460 -0.034 0.000 1.355 315 W HN 0.336 nan 8.180 nan 0.000 0.555 316 L N 2.970 124.418 121.223 0.375 0.000 2.386 316 L HA 0.537 4.870 4.340 -0.011 0.000 0.271 316 L C 0.191 177.237 176.870 0.293 0.000 0.993 316 L CA -1.170 53.850 54.840 0.300 0.000 0.819 316 L CB 1.681 43.911 42.059 0.285 0.000 1.294 316 L HN 0.463 nan 8.230 nan 0.000 0.414 317 R N 1.974 122.608 120.500 0.224 0.000 2.679 317 R HA 0.145 4.479 4.340 -0.011 0.000 0.269 317 R C 0.996 177.329 176.300 0.054 0.000 1.076 317 R CA -0.192 55.978 56.100 0.117 0.000 1.160 317 R CB 0.873 31.229 30.300 0.094 0.000 1.054 317 R HN 0.625 nan 8.270 nan 0.000 0.507 318 R N 1.278 121.728 120.500 -0.083 0.000 2.091 318 R HA -0.113 4.220 4.340 -0.011 0.000 0.238 318 R C 0.205 176.548 176.300 0.071 0.000 1.136 318 R CA 1.298 57.345 56.100 -0.088 0.000 0.959 318 R CB -0.105 30.118 30.300 -0.127 0.000 0.856 318 R HN 0.380 nan 8.270 nan 0.000 0.437 319 I N 2.110 122.708 120.570 0.046 0.000 2.421 319 I HA -0.019 4.144 4.170 -0.011 0.000 0.291 319 I C 0.521 176.693 176.117 0.092 0.000 1.089 319 I CA 0.661 61.995 61.300 0.056 0.000 1.354 319 I CB 1.270 39.290 38.000 0.034 0.000 1.413 319 I HN 0.063 nan 8.210 nan 0.000 0.513 320 Q N 5.145 124.997 119.800 0.086 0.000 2.414 320 Q HA 0.068 4.402 4.340 -0.011 0.000 0.286 320 Q C 0.439 176.524 176.000 0.143 0.000 0.941 320 Q CA -0.041 55.832 55.803 0.116 0.000 0.951 320 Q CB -0.244 28.523 28.738 0.048 0.000 1.188 320 Q HN 0.678 nan 8.270 nan 0.000 0.418 321 N N -0.583 118.200 118.700 0.139 0.000 2.234 321 N HA -0.033 4.700 4.740 -0.011 0.000 0.227 321 N C -1.117 174.495 175.510 0.170 0.000 1.151 321 N CA -0.211 52.911 53.050 0.120 0.000 0.865 321 N CB 0.305 38.836 38.487 0.073 0.000 1.066 321 N HN 0.198 nan 8.380 nan 0.000 0.515 322 Y N 1.084 121.409 120.300 0.042 0.000 2.298 322 Y HA 0.402 4.946 4.550 -0.011 0.000 0.322 322 Y C -1.283 174.648 175.900 0.051 0.000 1.138 322 Y CA -0.771 57.350 58.100 0.036 0.000 1.127 322 Y CB 1.181 39.654 38.460 0.021 0.000 1.178 322 Y HN 0.165 nan 8.280 nan 0.000 0.428 323 S N 4.362 119.984 115.700 -0.130 0.000 2.526 323 S HA 0.899 5.362 4.470 -0.011 0.000 0.293 323 S C -1.727 172.807 174.600 -0.109 0.000 1.092 323 S CA -0.714 57.474 58.200 -0.019 0.000 0.980 323 S CB 1.955 65.159 63.200 0.007 0.000 1.048 323 S HN 0.380 nan 8.310 nan 0.000 0.483 324 V N 3.848 123.781 119.914 0.030 0.000 2.487 324 V HA 0.528 4.641 4.120 -0.011 0.000 0.298 324 V C -0.225 175.903 176.094 0.057 0.000 1.028 324 V CA -0.685 61.633 62.300 0.030 0.000 0.860 324 V CB 1.553 33.428 31.823 0.087 0.000 0.991 324 V HN 1.051 nan 8.190 nan 0.000 0.427 325 M N 4.031 123.630 119.600 -0.001 0.000 2.209 325 M HA 0.529 5.002 4.480 -0.011 0.000 0.355 325 M C -1.073 175.229 176.300 0.003 0.000 1.171 325 M CA -0.047 55.228 55.300 -0.043 0.000 1.069 325 M CB 1.057 33.573 32.600 -0.141 0.000 1.622 325 M HN 0.554 nan 8.290 nan 0.000 0.459 326 D N 5.074 125.468 120.400 -0.009 0.000 2.217 326 D HA 0.430 5.064 4.640 -0.011 0.000 0.243 326 D C -1.161 175.102 176.300 -0.061 0.000 1.054 326 D CA -0.110 53.883 54.000 -0.011 0.000 0.838 326 D CB 1.702 42.520 40.800 0.030 0.000 1.162 326 D HN 0.554 nan 8.370 nan 0.000 0.472 327 I N 2.691 123.250 120.570 -0.019 0.000 2.330 327 I HA 0.198 4.361 4.170 -0.011 0.000 0.289 327 I C -0.418 175.694 176.117 -0.009 0.000 1.001 327 I CA -0.250 61.034 61.300 -0.025 0.000 1.193 327 I CB 0.876 38.909 38.000 0.055 0.000 1.345 327 I HN 0.269 nan 8.210 nan 0.000 0.461 328 c N 4.284 122.873 118.600 -0.018 0.000 2.322 328 c HA 0.498 5.062 4.570 -0.011 0.000 0.324 328 c C -0.286 173.950 174.090 0.244 0.000 1.249 328 c CA -1.068 55.318 56.329 0.094 0.000 1.453 328 c CB -0.037 42.523 42.510 0.083 0.000 2.145 328 c HN 0.671 nan 8.230 nan 0.000 0.466 329 D N 1.046 121.551 120.400 0.175 0.000 2.210 329 D HA 0.329 4.962 4.640 -0.011 0.000 0.249 329 D C -0.496 175.767 176.300 -0.062 0.000 1.062 329 D CA -0.169 53.892 54.000 0.102 0.000 0.891 329 D CB 0.682 41.493 40.800 0.017 0.000 1.186 329 D HN 0.609 nan 8.370 nan 0.000 0.432 330 Y N 1.717 121.667 120.300 -0.584 0.000 2.319 330 Y HA 0.178 4.721 4.550 -0.012 0.000 0.328 330 Y C -0.323 175.275 175.900 -0.502 0.000 1.133 330 Y CA -0.376 57.056 58.100 -1.115 0.000 1.265 330 Y CB 0.832 38.315 38.460 -1.628 0.000 1.218 330 Y HN 0.266 nan 8.280 nan 0.000 0.508 331 D N 5.615 125.374 120.400 -1.068 0.000 2.329 331 D HA 0.103 4.736 4.640 -0.011 0.000 0.232 331 D C 0.372 176.064 176.300 -1.014 0.000 1.088 331 D CA -0.037 53.514 54.000 -0.747 0.000 0.835 331 D CB 1.157 41.701 40.800 -0.428 0.000 1.078 331 D HN 0.880 nan 8.370 nan 0.000 0.495 332 E N 1.395 121.218 120.200 -0.627 0.000 2.051 332 E HA -0.171 4.172 4.350 -0.011 0.000 0.192 332 E C 1.855 178.318 176.600 -0.227 0.000 0.991 332 E CA 1.294 57.470 56.400 -0.374 0.000 0.799 332 E CB 0.275 29.907 29.700 -0.114 0.000 0.748 332 E HN 0.567 nan 8.360 nan 0.000 0.449 333 S N 0.232 115.821 115.700 -0.185 0.000 2.371 333 S HA -0.136 4.328 4.470 -0.011 0.000 0.224 333 S C 2.190 176.725 174.600 -0.109 0.000 1.029 333 S CA 1.389 59.523 58.200 -0.110 0.000 0.978 333 S CB -0.114 63.036 63.200 -0.083 0.000 0.833 333 S HN 0.124 nan 8.310 nan 0.000 0.466 334 S N 1.279 116.885 115.700 -0.157 0.000 2.338 334 S HA 0.257 4.721 4.470 -0.011 0.000 0.218 334 S C 1.752 176.297 174.600 -0.091 0.000 1.032 334 S CA 1.810 59.940 58.200 -0.116 0.000 0.999 334 S CB -1.092 62.030 63.200 -0.130 0.000 0.905 334 S HN 1.661 nan 8.310 nan 0.000 0.439 335 G N 0.672 109.356 108.800 -0.193 0.000 2.159 335 G HA2 -0.171 3.783 3.960 -0.011 0.000 0.227 335 G HA3 -0.171 3.783 3.960 -0.011 0.000 0.227 335 G C 0.135 175.099 174.900 0.108 0.000 0.986 335 G CA 0.100 45.200 45.100 -0.001 0.000 0.651 335 G HN 0.609 nan 8.290 nan 0.000 0.523 336 R N -1.262 119.211 120.500 -0.045 0.000 2.778 336 R HA 0.580 4.913 4.340 -0.011 0.000 0.277 336 R C -0.865 175.425 176.300 -0.017 0.000 0.977 336 R CA -0.842 55.312 56.100 0.090 0.000 0.950 336 R CB 1.022 31.374 30.300 0.086 0.000 1.165 336 R HN 0.122 nan 8.270 nan 0.000 0.474 337 W N 1.118 122.462 121.300 0.073 0.000 2.390 337 W HA 0.342 4.995 4.660 -0.012 0.000 0.312 337 W C -0.189 176.325 176.519 -0.007 0.000 1.123 337 W CA -0.262 57.111 57.345 0.047 0.000 1.202 337 W CB 0.788 30.273 29.460 0.043 0.000 1.251 337 W HN 0.387 nan 8.180 nan 0.000 0.511 338 N N 2.261 121.054 118.700 0.156 0.000 2.407 338 N HA 0.448 5.181 4.740 -0.011 0.000 0.277 338 N C -1.542 174.008 175.510 0.066 0.000 0.995 338 N CA -0.682 52.412 53.050 0.074 0.000 0.903 338 N CB 1.017 39.508 38.487 0.006 0.000 1.218 338 N HN 0.203 nan 8.380 nan 0.000 0.487 339 c N 3.334 121.957 118.600 0.039 0.000 2.203 339 c HA 0.335 4.899 4.570 -0.011 0.000 0.325 339 c C 0.011 174.096 174.090 -0.009 0.000 1.156 339 c CA -1.180 55.157 56.329 0.013 0.000 1.597 339 c CB -1.207 41.300 42.510 -0.005 0.000 2.148 339 c HN 0.528 nan 8.230 nan 0.000 0.472 340 L N 3.988 125.207 121.223 -0.007 0.000 2.477 340 L HA 0.034 4.367 4.340 -0.011 0.000 0.272 340 L C 1.571 178.419 176.870 -0.036 0.000 1.157 340 L CA 0.487 55.315 54.840 -0.019 0.000 0.889 340 L CB -0.073 41.978 42.059 -0.012 0.000 1.158 340 L HN 0.640 nan 8.230 nan 0.000 0.473 341 V N 3.853 123.742 119.914 -0.043 0.000 2.370 341 V HA -0.319 3.794 4.120 -0.011 0.000 0.252 341 V C 2.084 178.139 176.094 -0.066 0.000 1.068 341 V CA 2.014 64.281 62.300 -0.054 0.000 1.061 341 V CB -0.899 30.895 31.823 -0.048 0.000 0.656 341 V HN 0.936 nan 8.190 nan 0.000 0.455 342 A N -0.953 121.833 122.820 -0.057 0.000 2.291 342 A HA 0.089 4.402 4.320 -0.011 0.000 0.220 342 A C 1.953 179.482 177.584 -0.091 0.000 1.262 342 A CA 0.406 52.404 52.037 -0.066 0.000 0.867 342 A CB -0.358 18.618 19.000 -0.040 0.000 0.888 342 A HN 0.499 nan 8.150 nan 0.000 0.487 343 R N -0.852 119.584 120.500 -0.107 0.000 2.531 343 R HA 0.127 4.460 4.340 -0.011 0.000 0.316 343 R C -0.246 175.927 176.300 -0.212 0.000 0.955 343 R CA -0.077 55.954 56.100 -0.115 0.000 1.120 343 R CB 0.402 30.701 30.300 -0.003 0.000 1.361 343 R HN 0.613 nan 8.270 nan 0.000 0.534 344 Q N 0.362 120.033 119.800 -0.215 0.000 2.394 344 Q HA 0.100 4.433 4.340 -0.011 0.000 0.248 344 Q C -0.828 174.938 176.000 -0.390 0.000 0.992 344 Q CA 0.598 56.290 55.803 -0.184 0.000 0.888 344 Q CB 0.748 29.425 28.738 -0.102 0.000 1.257 344 Q HN 0.163 nan 8.270 nan 0.000 0.462 345 H N 0.712 119.762 119.070 -0.034 0.000 2.970 345 H HA 0.300 4.849 4.556 -0.011 0.000 0.315 345 H C -1.135 174.145 175.328 -0.080 0.000 0.992 345 H CA -0.501 55.524 56.048 -0.038 0.000 1.363 345 H CB 0.581 30.298 29.762 -0.075 0.000 1.532 345 H HN 0.386 nan 8.280 nan 0.000 0.514 346 I N 2.468 123.036 120.570 -0.004 0.000 2.452 346 I HA 0.044 4.207 4.170 -0.011 0.000 0.287 346 I C 0.451 176.492 176.117 -0.126 0.000 1.079 346 I CA 0.393 61.604 61.300 -0.147 0.000 1.387 346 I CB 0.515 38.389 38.000 -0.209 0.000 1.404 346 I HN 0.574 nan 8.210 nan 0.000 0.522 347 E N 8.270 128.359 120.200 -0.186 0.000 2.145 347 E HA 0.660 5.003 4.350 -0.011 0.000 0.270 347 E C -0.947 175.534 176.600 -0.198 0.000 0.906 347 E CA -0.707 55.623 56.400 -0.117 0.000 0.761 347 E CB 1.115 30.781 29.700 -0.058 0.000 1.116 347 E HN 0.634 nan 8.360 nan 0.000 0.408 348 M N 1.131 120.649 119.600 -0.136 0.000 2.664 348 M HA 0.616 5.089 4.480 -0.011 0.000 0.279 348 M C -1.139 175.141 176.300 -0.034 0.000 1.275 348 M CA -0.912 54.324 55.300 -0.107 0.000 0.829 348 M CB 2.351 34.876 32.600 -0.125 0.000 1.727 348 M HN 0.204 nan 8.290 nan 0.000 0.459 349 S N -0.898 114.793 115.700 -0.015 0.000 2.548 349 S HA 0.590 5.053 4.470 -0.011 0.000 0.276 349 S C -0.140 174.438 174.600 -0.036 0.000 1.129 349 S CA -0.291 57.884 58.200 -0.040 0.000 0.931 349 S CB 1.945 65.083 63.200 -0.103 0.000 1.068 349 S HN 0.852 nan 8.310 nan 0.000 0.480 350 T N 2.083 116.616 114.554 -0.035 0.000 2.953 350 T HA 0.003 4.346 4.350 -0.011 0.000 0.247 350 T C 1.990 176.653 174.700 -0.061 0.000 1.029 350 T CA 1.284 63.368 62.100 -0.027 0.000 1.144 350 T CB -0.753 68.110 68.868 -0.009 0.000 0.870 350 T HN 0.781 nan 8.240 nan 0.000 0.446 351 T N -0.272 114.237 114.554 -0.075 0.000 2.951 351 T HA 0.386 4.729 4.350 -0.011 0.000 0.268 351 T C 1.245 175.741 174.700 -0.341 0.000 1.073 351 T CA 0.721 62.770 62.100 -0.086 0.000 1.134 351 T CB -0.137 68.765 68.868 0.057 0.000 0.884 351 T HN 0.542 nan 8.240 nan 0.000 0.479 352 G N 0.160 108.538 108.800 -0.702 0.000 2.827 352 G HA2 0.507 4.461 3.960 -0.011 0.000 0.202 352 G HA3 0.507 4.461 3.960 -0.011 0.000 0.202 352 G C -1.570 173.017 174.900 -0.521 0.000 1.185 352 G CA -0.700 43.742 45.100 -1.097 0.000 0.920 352 G HN 0.498 nan 8.290 nan 0.000 0.550 353 W N -0.450 120.583 121.300 -0.446 0.000 2.367 353 W HA 0.761 5.415 4.660 -0.010 0.000 0.369 353 W C -0.162 176.312 176.519 -0.074 0.000 1.276 353 W CA -1.329 55.906 57.345 -0.184 0.000 1.415 353 W CB 0.875 30.230 29.460 -0.175 0.000 1.306 353 W HN 0.419 nan 8.180 nan 0.000 0.669 354 V N 2.821 122.824 119.914 0.149 0.000 2.427 354 V HA 0.787 4.901 4.120 -0.011 0.000 0.286 354 V C 0.371 176.551 176.094 0.143 0.000 1.034 354 V CA 0.352 62.688 62.300 0.061 0.000 0.893 354 V CB 0.293 32.139 31.823 0.039 0.000 0.982 354 V HN 1.697 nan 8.190 nan 0.000 0.452 355 G N 6.229 115.071 108.800 0.070 0.000 2.814 355 G HA2 -0.195 3.758 3.960 -0.011 0.000 0.677 355 G HA3 -0.195 3.758 3.960 -0.011 0.000 0.677 355 G C 0.248 175.259 174.900 0.184 0.000 1.429 355 G CA 0.197 45.366 45.100 0.116 0.000 0.868 355 G HN 0.929 nan 8.290 nan 0.000 0.553 356 R N -0.460 120.141 120.500 0.169 0.000 2.075 356 R HA 0.096 4.429 4.340 -0.011 0.000 0.232 356 R C 1.774 178.041 176.300 -0.055 0.000 1.126 356 R CA 2.201 58.364 56.100 0.105 0.000 0.963 356 R CB -0.047 30.353 30.300 0.166 0.000 0.858 356 R HN 0.527 nan 8.270 nan 0.000 0.435 357 F N -1.274 118.819 119.950 0.237 0.000 2.835 357 F HA 0.231 4.752 4.527 -0.011 0.000 0.341 357 F C 0.255 176.080 175.800 0.041 0.000 0.940 357 F CA -0.547 57.531 58.000 0.130 0.000 1.125 357 F CB 0.759 39.834 39.000 0.125 0.000 0.974 357 F HN -0.168 nan 8.300 nan 0.000 0.601 358 R N -0.641 119.996 120.500 0.228 0.000 2.716 358 R HA 0.524 4.857 4.340 -0.011 0.000 0.271 358 R C -3.268 173.092 176.300 0.101 0.000 1.028 358 R CA -2.084 54.073 56.100 0.094 0.000 0.883 358 R CB 0.323 30.619 30.300 -0.006 0.000 1.250 358 R HN -0.355 nan 8.270 nan 0.000 0.465 359 P HA -0.061 nan 4.420 nan 0.000 0.269 359 P C -0.251 177.071 177.300 0.037 0.000 1.211 359 P CA -0.075 63.047 63.100 0.035 0.000 0.781 359 P CB 0.609 32.300 31.700 -0.014 0.000 0.877 360 S N 0.796 116.526 115.700 0.050 0.000 2.584 360 S HA 0.091 4.554 4.470 -0.011 0.000 0.270 360 S C 0.080 174.687 174.600 0.012 0.000 1.346 360 S CA -0.615 57.629 58.200 0.074 0.000 1.018 360 S CB -0.049 63.218 63.200 0.113 0.000 0.899 360 S HN 0.441 nan 8.310 nan 0.000 0.542 361 E N 3.256 123.473 120.200 0.028 0.000 2.313 361 E HA 0.423 4.766 4.350 -0.011 0.000 0.272 361 E C -2.787 173.739 176.600 -0.124 0.000 1.038 361 E CA -2.146 54.205 56.400 -0.083 0.000 0.863 361 E CB 0.526 30.171 29.700 -0.091 0.000 1.060 361 E HN 0.324 nan 8.360 nan 0.000 0.402 362 P HA 0.228 nan 4.420 nan 0.000 0.279 362 P C -0.721 176.373 177.300 -0.343 0.000 1.252 362 P CA -0.328 62.578 63.100 -0.324 0.000 0.811 362 P CB 0.741 31.849 31.700 -0.986 0.000 1.035 363 H N 1.290 120.354 119.070 -0.011 0.000 2.887 363 H HA 0.293 4.843 4.556 -0.011 0.000 0.300 363 H C -0.354 175.081 175.328 0.178 0.000 1.038 363 H CA -0.312 55.823 56.048 0.144 0.000 1.352 363 H CB 0.147 30.032 29.762 0.206 0.000 1.473 363 H HN 0.299 nan 8.280 nan 0.000 0.503 364 F N 1.946 122.069 119.950 0.289 0.000 2.418 364 F HA 0.066 4.586 4.527 -0.011 0.000 0.341 364 F C 1.474 177.446 175.800 0.287 0.000 1.120 364 F CA -0.338 57.824 58.000 0.270 0.000 1.232 364 F CB 0.939 40.034 39.000 0.160 0.000 1.175 364 F HN 0.313 nan 8.300 nan 0.000 0.569 365 T N 1.380 116.204 114.554 0.451 0.000 2.913 365 T HA 0.134 4.477 4.350 -0.011 0.000 0.297 365 T C 1.098 175.973 174.700 0.293 0.000 1.029 365 T CA -0.862 61.452 62.100 0.357 0.000 1.104 365 T CB 1.041 70.100 68.868 0.318 0.000 0.964 365 T HN 0.591 nan 8.240 nan 0.000 0.532 366 L N 1.678 123.038 121.223 0.228 0.000 2.123 366 L HA -0.218 4.116 4.340 -0.011 0.000 0.217 366 L C 2.057 179.025 176.870 0.164 0.000 1.081 366 L CA 2.441 57.389 54.840 0.181 0.000 0.772 366 L CB -0.986 41.157 42.059 0.141 0.000 0.890 366 L HN 0.945 nan 8.230 nan 0.000 0.437 367 D N -1.586 118.912 120.400 0.163 0.000 2.277 367 D HA 0.041 4.674 4.640 -0.011 0.000 0.208 367 D C 1.675 178.066 176.300 0.151 0.000 0.962 367 D CA 0.918 55.002 54.000 0.140 0.000 0.865 367 D CB -0.581 40.293 40.800 0.124 0.000 0.939 367 D HN 0.448 nan 8.370 nan 0.000 0.510 368 G N 0.656 109.582 108.800 0.209 0.000 2.137 368 G HA2 -0.284 3.669 3.960 -0.011 0.000 0.237 368 G HA3 -0.284 3.669 3.960 -0.011 0.000 0.237 368 G C 0.696 175.748 174.900 0.252 0.000 1.002 368 G CA 0.296 45.530 45.100 0.223 0.000 0.702 368 G HN 0.369 nan 8.290 nan 0.000 0.515 369 N N -0.230 118.612 118.700 0.237 0.000 2.299 369 N HA 0.192 4.925 4.740 -0.011 0.000 0.187 369 N C 0.526 176.145 175.510 0.181 0.000 1.099 369 N CA 0.950 54.115 53.050 0.192 0.000 0.867 369 N CB 0.574 39.139 38.487 0.130 0.000 0.974 369 N HN 0.411 nan 8.380 nan 0.000 0.477 370 S N -0.283 115.539 115.700 0.203 0.000 2.638 370 S HA 0.718 5.181 4.470 -0.011 0.000 0.274 370 S C -1.376 173.198 174.600 -0.043 0.000 1.157 370 S CA -0.775 57.374 58.200 -0.086 0.000 0.826 370 S CB 1.773 64.809 63.200 -0.274 0.000 1.139 370 S HN 0.222 nan 8.310 nan 0.000 0.474 371 F N -0.874 118.698 119.950 -0.630 0.000 2.693 371 F HA 0.743 5.264 4.527 -0.010 0.000 0.309 371 F C -2.172 173.261 175.800 -0.612 0.000 1.129 371 F CA -1.327 56.281 58.000 -0.653 0.000 0.948 371 F CB 0.570 38.816 39.000 -1.257 0.000 1.315 371 F HN 0.512 nan 8.300 nan 0.000 0.447 372 Y N 1.502 121.815 120.300 0.021 0.000 2.387 372 Y HA 0.698 5.240 4.550 -0.012 0.000 0.336 372 Y C -0.216 175.808 175.900 0.206 0.000 1.067 372 Y CA -0.810 57.327 58.100 0.062 0.000 1.114 372 Y CB 2.030 40.542 38.460 0.086 0.000 1.208 372 Y HN 0.752 nan 8.280 nan 0.000 0.458 373 K N 1.164 121.758 120.400 0.323 0.000 2.568 373 K HA 0.598 4.911 4.320 -0.011 0.000 0.273 373 K C -1.868 174.863 176.600 0.218 0.000 0.951 373 K CA -0.811 55.649 56.287 0.288 0.000 0.854 373 K CB 1.490 34.123 32.500 0.221 0.000 1.424 373 K HN 0.619 nan 8.250 nan 0.000 0.427 374 I N 3.143 123.827 120.570 0.189 0.000 2.452 374 I HA 0.245 4.408 4.170 -0.011 0.000 0.287 374 I C -0.041 176.168 176.117 0.153 0.000 1.079 374 I CA -0.368 61.026 61.300 0.157 0.000 1.387 374 I CB 0.315 38.398 38.000 0.137 0.000 1.404 374 I HN 0.646 nan 8.210 nan 0.000 0.522 375 I N 3.202 123.882 120.570 0.185 0.000 2.894 375 I HA 0.524 4.687 4.170 -0.011 0.000 0.302 375 I C -0.145 176.090 176.117 0.197 0.000 1.188 375 I CA -0.501 60.904 61.300 0.175 0.000 1.014 375 I CB 2.344 40.464 38.000 0.200 0.000 1.242 375 I HN 0.502 nan 8.210 nan 0.000 0.430 376 S N 3.334 119.091 115.700 0.095 0.000 2.548 376 S HA 0.451 4.914 4.470 -0.011 0.000 0.277 376 S C 0.054 174.700 174.600 0.075 0.000 1.315 376 S CA -0.550 57.664 58.200 0.023 0.000 1.050 376 S CB 0.177 63.316 63.200 -0.102 0.000 0.918 376 S HN 0.894 nan 8.310 nan 0.000 0.497 377 N N 2.017 120.677 118.700 -0.067 0.000 2.328 377 N HA 0.067 4.800 4.740 -0.011 0.000 0.277 377 N C 1.256 176.695 175.510 -0.118 0.000 1.286 377 N CA -0.218 52.687 53.050 -0.242 0.000 0.949 377 N CB -0.052 37.900 38.487 -0.893 0.000 1.136 377 N HN 0.768 nan 8.380 nan 0.000 0.550 378 E N 0.077 120.198 120.200 -0.131 0.000 2.118 378 E HA -0.317 4.027 4.350 -0.011 0.000 0.195 378 E C 0.844 177.405 176.600 -0.066 0.000 0.992 378 E CA 1.875 58.233 56.400 -0.070 0.000 0.804 378 E CB -0.482 29.180 29.700 -0.064 0.000 0.741 378 E HN 0.895 nan 8.360 nan 0.000 0.458 379 E N -0.261 119.900 120.200 -0.065 0.000 2.481 379 E HA 0.123 4.466 4.350 -0.011 0.000 0.195 379 E C 1.136 177.754 176.600 0.030 0.000 1.047 379 E CA 0.581 56.992 56.400 0.018 0.000 0.867 379 E CB 0.126 29.852 29.700 0.044 0.000 0.858 379 E HN 0.399 nan 8.360 nan 0.000 0.513 380 G N 0.344 109.094 108.800 -0.084 0.000 2.184 380 G HA2 -0.225 3.728 3.960 -0.011 0.000 0.206 380 G HA3 -0.225 3.728 3.960 -0.011 0.000 0.206 380 G C -0.431 174.173 174.900 -0.493 0.000 0.995 380 G CA -0.136 44.777 45.100 -0.311 0.000 0.651 380 G HN 0.223 nan 8.290 nan 0.000 0.511 381 Y N 0.715 120.901 120.300 -0.189 0.000 2.342 381 Y HA 0.695 5.239 4.550 -0.010 0.000 0.334 381 Y C 1.073 176.849 175.900 -0.208 0.000 1.067 381 Y CA -0.877 57.099 58.100 -0.206 0.000 1.128 381 Y CB 0.992 39.336 38.460 -0.194 0.000 1.200 381 Y HN 0.048 nan 8.280 nan 0.000 0.464 382 R N 3.485 123.886 120.500 -0.165 0.000 2.248 382 R HA 0.297 4.630 4.340 -0.011 0.000 0.328 382 R C -0.808 175.285 176.300 -0.344 0.000 1.067 382 R CA -0.071 55.943 56.100 -0.143 0.000 0.924 382 R CB 0.129 30.380 30.300 -0.081 0.000 1.013 382 R HN 0.659 nan 8.270 nan 0.000 0.454 383 H N 1.741 120.811 119.070 0.001 0.000 2.985 383 H HA 0.312 4.862 4.556 -0.009 0.000 0.360 383 H C -0.237 175.165 175.328 0.124 0.000 1.221 383 H CA -0.916 55.112 56.048 -0.034 0.000 1.121 383 H CB 1.596 31.241 29.762 -0.195 0.000 1.854 383 H HN 0.338 nan 8.280 nan 0.000 0.551 384 I N 1.397 122.070 120.570 0.173 0.000 2.471 384 I HA 0.016 4.180 4.170 -0.011 0.000 0.286 384 I C 0.453 176.615 176.117 0.074 0.000 1.079 384 I CA 0.283 61.638 61.300 0.092 0.000 1.398 384 I CB 0.205 38.172 38.000 -0.055 0.000 1.403 384 I HN 0.133 nan 8.210 nan 0.000 0.530 385 c N 7.018 125.584 118.600 -0.056 0.000 2.417 385 c HA 0.405 4.968 4.570 -0.011 0.000 0.324 385 c C -0.335 173.549 174.090 -0.344 0.000 1.240 385 c CA -0.625 55.427 56.329 -0.462 0.000 1.632 385 c CB 0.834 42.797 42.510 -0.912 0.000 2.241 385 c HN 0.686 nan 8.230 nan 0.000 0.499 386 Y N 4.123 124.047 120.300 -0.626 0.000 2.326 386 Y HA 0.631 5.175 4.550 -0.010 0.000 0.337 386 Y C -0.941 174.444 175.900 -0.859 0.000 1.023 386 Y CA -0.233 57.458 58.100 -0.683 0.000 1.143 386 Y CB 0.438 38.554 38.460 -0.573 0.000 1.183 386 Y HN 0.651 nan 8.280 nan 0.000 0.485 387 F N 4.192 123.209 119.950 -1.556 0.000 2.495 387 F HA 0.423 4.944 4.527 -0.009 0.000 0.327 387 F C -0.199 174.782 175.800 -1.364 0.000 1.103 387 F CA -0.724 56.429 58.000 -1.411 0.000 0.949 387 F CB 1.878 39.666 39.000 -2.020 0.000 1.142 387 F HN 0.388 nan 8.300 nan 0.000 0.457 388 Q N 2.360 121.824 119.800 -0.560 0.000 2.230 388 Q HA 0.282 4.615 4.340 -0.011 0.000 0.253 388 Q C 0.760 176.730 176.000 -0.049 0.000 0.919 388 Q CA -0.613 55.018 55.803 -0.287 0.000 0.908 388 Q CB 2.237 30.906 28.738 -0.115 0.000 1.245 388 Q HN 0.689 nan 8.270 nan 0.000 0.437 389 I N 1.778 122.394 120.570 0.076 0.000 2.567 389 I HA -0.255 3.909 4.170 -0.011 0.000 0.257 389 I C 0.914 177.186 176.117 0.258 0.000 1.184 389 I CA 1.629 63.092 61.300 0.272 0.000 1.451 389 I CB 0.092 38.248 38.000 0.260 0.000 1.089 389 I HN 0.631 nan 8.210 nan 0.000 0.441 390 D N -0.008 120.480 120.400 0.146 0.000 2.389 390 D HA 0.060 4.694 4.640 -0.011 0.000 0.206 390 D C 0.670 177.014 176.300 0.074 0.000 1.055 390 D CA 0.268 54.322 54.000 0.091 0.000 0.856 390 D CB 0.260 41.094 40.800 0.056 0.000 0.957 390 D HN 0.442 nan 8.370 nan 0.000 0.509 391 K N 0.066 120.534 120.400 0.114 0.000 2.340 391 K HA 0.433 4.746 4.320 -0.011 0.000 0.244 391 K C 0.752 177.451 176.600 0.164 0.000 0.973 391 K CA -0.805 55.531 56.287 0.081 0.000 0.828 391 K CB 2.327 34.840 32.500 0.022 0.000 1.226 391 K HN -0.309 nan 8.250 nan 0.000 0.437 392 K N 0.347 120.799 120.400 0.087 0.000 2.128 392 K HA 0.050 4.363 4.320 -0.011 0.000 0.202 392 K C -0.666 175.992 176.600 0.097 0.000 1.050 392 K CA 0.815 57.181 56.287 0.132 0.000 0.966 392 K CB -0.140 32.386 32.500 0.043 0.000 0.759 392 K HN 0.624 nan 8.250 nan 0.000 0.454 393 D N 1.334 121.721 120.400 -0.022 0.000 2.389 393 D HA 0.126 4.759 4.640 -0.011 0.000 0.247 393 D C -0.097 176.014 176.300 -0.316 0.000 1.128 393 D CA -0.255 53.669 54.000 -0.127 0.000 0.884 393 D CB 0.955 41.693 40.800 -0.104 0.000 1.194 393 D HN 0.531 nan 8.370 nan 0.000 0.441 394 c N 0.386 118.650 118.600 -0.560 0.000 2.401 394 c HA 0.867 5.430 4.570 -0.011 0.000 0.356 394 c C 0.160 173.849 174.090 -0.669 0.000 1.192 394 c CA -0.804 54.962 56.329 -0.940 0.000 2.028 394 c CB 1.369 42.683 42.510 -1.993 0.000 2.344 394 c HN 0.599 nan 8.230 nan 0.000 0.525 395 T N 1.155 115.338 114.554 -0.619 0.000 2.786 395 T HA 0.587 4.930 4.350 -0.011 0.000 0.283 395 T C -0.979 173.436 174.700 -0.474 0.000 0.992 395 T CA -0.222 61.634 62.100 -0.406 0.000 0.954 395 T CB 0.048 68.773 68.868 -0.238 0.000 0.934 395 T HN 0.520 nan 8.240 nan 0.000 0.440 396 F N 4.964 124.739 119.950 -0.291 0.000 2.443 396 F HA 0.334 4.854 4.527 -0.013 0.000 0.353 396 F C 1.540 177.093 175.800 -0.412 0.000 1.101 396 F CA -0.720 57.107 58.000 -0.289 0.000 1.226 396 F CB 0.810 39.667 39.000 -0.237 0.000 1.140 396 F HN 0.643 nan 8.300 nan 0.000 0.557 397 I N -0.866 119.577 120.570 -0.211 0.000 4.082 397 I HA 0.270 4.434 4.170 -0.011 0.000 0.337 397 I C 0.007 176.074 176.117 -0.084 0.000 1.352 397 I CA -0.017 61.018 61.300 -0.442 0.000 1.097 397 I CB 0.117 37.815 38.000 -0.503 0.000 1.048 397 I HN 0.466 nan 8.210 nan 0.000 0.393 398 T N -1.282 113.230 114.554 -0.070 0.000 2.893 398 T HA 0.595 4.939 4.350 -0.011 0.000 0.293 398 T C -0.606 173.708 174.700 -0.644 0.000 1.027 398 T CA -0.739 61.284 62.100 -0.129 0.000 0.988 398 T CB 2.851 71.733 68.868 0.024 0.000 1.043 398 T HN -0.006 nan 8.240 nan 0.000 0.461 399 K N 0.447 120.419 120.400 -0.713 0.000 2.433 399 K HA 0.906 5.219 4.320 -0.011 0.000 0.252 399 K C 0.100 176.119 176.600 -0.969 0.000 1.015 399 K CA -0.287 55.403 56.287 -0.996 0.000 0.860 399 K CB 1.943 34.180 32.500 -0.439 0.000 1.359 399 K HN 1.372 nan 8.250 nan 0.000 0.452 400 G N -0.368 107.942 108.800 -0.818 0.000 2.355 400 G HA2 -0.117 3.837 3.960 -0.011 0.000 0.619 400 G HA3 -0.117 3.837 3.960 -0.011 0.000 0.619 400 G C -0.745 173.709 174.900 -0.743 0.000 1.337 400 G CA -0.348 44.416 45.100 -0.560 0.000 0.993 400 G HN 0.490 nan 8.290 nan 0.000 0.599 401 T N -0.449 113.799 114.554 -0.510 0.000 3.766 401 T HA 0.586 4.929 4.350 -0.011 0.000 0.327 401 T C 0.118 174.760 174.700 -0.096 0.000 1.595 401 T CA 0.542 62.201 62.100 -0.734 0.000 1.204 401 T CB -0.858 67.732 68.868 -0.464 0.000 1.245 401 T HN 1.664 nan 8.240 nan 0.000 0.875 402 W N -0.173 121.058 121.300 -0.114 0.000 2.982 402 W HA 0.604 5.255 4.660 -0.014 0.000 0.344 402 W C -1.546 174.978 176.519 0.008 0.000 1.215 402 W CA -0.925 56.433 57.345 0.022 0.000 1.182 402 W CB 0.549 30.003 29.460 -0.009 0.000 1.437 402 W HN 0.228 nan 8.180 nan 0.000 0.570 403 E N 0.872 121.214 120.200 0.237 0.000 2.288 403 E HA 0.448 4.791 4.350 -0.011 0.000 0.268 403 E C -1.089 175.591 176.600 0.133 0.000 0.885 403 E CA -1.195 55.165 56.400 -0.066 0.000 0.767 403 E CB 3.450 33.178 29.700 0.046 0.000 1.220 403 E HN 0.170 nan 8.360 nan 0.000 0.427 404 V N 4.277 124.169 119.914 -0.037 0.000 2.455 404 V HA -0.001 4.112 4.120 -0.011 0.000 0.273 404 V C 1.350 177.553 176.094 0.182 0.000 1.045 404 V CA 0.008 62.427 62.300 0.199 0.000 0.976 404 V CB 0.406 32.296 31.823 0.112 0.000 0.993 404 V HN 0.681 nan 8.190 nan 0.000 0.475 405 I N 3.490 124.181 120.570 0.201 0.000 2.235 405 I HA 0.186 4.349 4.170 -0.011 0.000 0.241 405 I C 1.172 177.404 176.117 0.192 0.000 1.085 405 I CA 1.370 62.763 61.300 0.155 0.000 1.378 405 I CB -0.888 37.119 38.000 0.010 0.000 1.076 405 I HN 0.718 nan 8.210 nan 0.000 0.415 406 G N 0.451 109.369 108.800 0.197 0.000 2.692 406 G HA2 0.623 4.576 3.960 -0.011 0.000 0.291 406 G HA3 0.623 4.576 3.960 -0.011 0.000 0.291 406 G C -1.321 173.688 174.900 0.181 0.000 1.423 406 G CA -0.487 44.730 45.100 0.196 0.000 0.843 406 G HN -0.005 nan 8.290 nan 0.000 0.486 407 I N 1.577 122.198 120.570 0.085 0.000 2.312 407 I HA 0.255 4.418 4.170 -0.011 0.000 0.290 407 I C 0.631 176.707 176.117 -0.069 0.000 1.008 407 I CA -0.584 60.656 61.300 -0.100 0.000 1.226 407 I CB 1.843 39.505 38.000 -0.563 0.000 1.371 407 I HN 0.500 nan 8.210 nan 0.000 0.468 408 E N 5.076 125.293 120.200 0.029 0.000 2.307 408 E HA 0.289 4.632 4.350 -0.011 0.000 0.195 408 E C 0.251 176.828 176.600 -0.039 0.000 0.975 408 E CA 0.226 56.684 56.400 0.097 0.000 0.878 408 E CB 0.716 30.549 29.700 0.221 0.000 0.845 408 E HN 0.638 nan 8.360 nan 0.000 0.488 409 A N 0.833 123.539 122.820 -0.191 0.000 2.577 409 A HA 0.541 4.855 4.320 -0.011 0.000 0.297 409 A C -1.895 175.632 177.584 -0.096 0.000 1.060 409 A CA -0.687 51.188 52.037 -0.270 0.000 0.697 409 A CB 1.195 19.610 19.000 -0.975 0.000 1.281 409 A HN 0.054 nan 8.150 nan 0.000 0.402 410 L N 2.352 123.564 121.223 -0.017 0.000 2.376 410 L HA 0.814 5.147 4.340 -0.011 0.000 0.275 410 L C 0.463 177.371 176.870 0.063 0.000 0.987 410 L CA 0.430 55.274 54.840 0.007 0.000 0.828 410 L CB 1.817 43.912 42.059 0.060 0.000 1.249 410 L HN 1.084 nan 8.230 nan 0.000 0.409 411 T N -0.072 114.520 114.554 0.063 0.000 2.864 411 T HA 0.425 4.768 4.350 -0.011 0.000 0.276 411 T C 0.819 175.549 174.700 0.050 0.000 1.006 411 T CA 0.119 62.267 62.100 0.080 0.000 0.970 411 T CB 0.878 69.822 68.868 0.126 0.000 1.420 411 T HN 0.593 nan 8.240 nan 0.000 0.601 412 S N -1.147 114.572 115.700 0.030 0.000 2.597 412 S HA 0.240 4.703 4.470 -0.011 0.000 0.224 412 S C 0.136 174.687 174.600 -0.081 0.000 0.955 412 S CA -0.280 57.926 58.200 0.012 0.000 0.933 412 S CB -0.281 62.937 63.200 0.029 0.000 0.788 412 S HN 0.671 nan 8.310 nan 0.000 0.488 413 D N -0.621 119.670 120.400 -0.180 0.000 2.218 413 D HA 0.188 4.821 4.640 -0.011 0.000 0.307 413 D C -0.835 175.056 176.300 -0.682 0.000 1.086 413 D CA 0.360 54.079 54.000 -0.468 0.000 0.886 413 D CB 0.644 41.070 40.800 -0.622 0.000 1.645 413 D HN 0.410 nan 8.370 nan 0.000 0.523 414 Y N 1.066 121.277 120.300 -0.149 0.000 2.457 414 Y HA 0.378 4.920 4.550 -0.013 0.000 0.343 414 Y C -0.575 175.068 175.900 -0.428 0.000 0.994 414 Y CA -1.102 56.788 58.100 -0.351 0.000 1.031 414 Y CB 2.510 40.611 38.460 -0.598 0.000 1.246 414 Y HN -0.187 nan 8.280 nan 0.000 0.449 415 L N 4.720 125.777 121.223 -0.277 0.000 2.272 415 L HA 0.455 4.789 4.340 -0.011 0.000 0.289 415 L C -1.529 175.171 176.870 -0.283 0.000 1.032 415 L CA -0.780 53.875 54.840 -0.308 0.000 0.810 415 L CB -0.087 41.733 42.059 -0.398 0.000 1.205 415 L HN 0.639 nan 8.230 nan 0.000 0.422 416 Y N 6.085 126.313 120.300 -0.120 0.000 2.342 416 Y HA 0.525 5.069 4.550 -0.010 0.000 0.334 416 Y C -0.044 175.883 175.900 0.046 0.000 1.067 416 Y CA -0.215 57.821 58.100 -0.106 0.000 1.128 416 Y CB 1.326 39.545 38.460 -0.402 0.000 1.200 416 Y HN 0.590 nan 8.280 nan 0.000 0.464 417 Y N -0.224 120.133 120.300 0.095 0.000 2.670 417 Y HA 0.780 5.323 4.550 -0.012 0.000 0.334 417 Y C -2.003 173.994 175.900 0.162 0.000 1.185 417 Y CA -1.760 56.395 58.100 0.092 0.000 1.053 417 Y CB 1.267 39.766 38.460 0.066 0.000 1.298 417 Y HN 0.414 nan 8.280 nan 0.000 0.459 418 I N 3.082 123.752 120.570 0.166 0.000 2.436 418 I HA 0.554 4.718 4.170 -0.011 0.000 0.289 418 I C -0.513 175.726 176.117 0.204 0.000 1.010 418 I CA -0.470 60.876 61.300 0.077 0.000 1.098 418 I CB 2.039 40.068 38.000 0.048 0.000 1.266 418 I HN 0.890 nan 8.210 nan 0.000 0.434 419 S N 3.892 119.705 115.700 0.188 0.000 2.811 419 S HA 0.484 4.947 4.470 -0.011 0.000 0.311 419 S C -0.422 174.238 174.600 0.100 0.000 1.152 419 S CA -0.752 57.584 58.200 0.226 0.000 0.864 419 S CB 1.797 65.223 63.200 0.378 0.000 1.226 419 S HN 0.637 nan 8.310 nan 0.000 0.541 420 N N -0.602 118.162 118.700 0.107 0.000 2.467 420 N HA 0.186 4.919 4.740 -0.011 0.000 0.278 420 N C 0.347 175.858 175.510 0.001 0.000 1.306 420 N CA -0.427 52.633 53.050 0.017 0.000 0.905 420 N CB 0.343 38.814 38.487 -0.028 0.000 1.236 420 N HN 0.809 nan 8.380 nan 0.000 0.509 421 E N 0.135 120.226 120.200 -0.181 0.000 2.046 421 E HA -0.146 4.197 4.350 -0.011 0.000 0.190 421 E C -0.368 176.086 176.600 -0.244 0.000 0.982 421 E CA 0.132 56.186 56.400 -0.576 0.000 0.800 421 E CB -0.067 28.671 29.700 -1.604 0.000 0.756 421 E HN 0.491 nan 8.360 nan 0.000 0.449 422 Y N 1.972 122.167 120.300 -0.176 0.000 2.865 422 Y HA -0.193 4.349 4.550 -0.012 0.000 0.338 422 Y C 0.362 176.216 175.900 -0.076 0.000 1.269 422 Y CA 0.939 58.983 58.100 -0.092 0.000 1.585 422 Y CB 0.135 38.569 38.460 -0.044 0.000 1.224 422 Y HN 0.111 nan 8.280 nan 0.000 0.554 423 K N 3.559 123.626 120.400 -0.555 0.000 3.274 423 K HA -0.268 4.045 4.320 -0.011 0.000 0.305 423 K C 0.782 177.287 176.600 -0.159 0.000 1.225 423 K CA 0.858 56.897 56.287 -0.413 0.000 0.904 423 K CB -1.717 30.473 32.500 -0.518 0.000 1.227 423 K HN 1.248 nan 8.250 nan 0.000 0.453 424 G N 0.648 109.374 108.800 -0.124 0.000 2.221 424 G HA2 -0.324 3.629 3.960 -0.011 0.000 0.265 424 G HA3 -0.324 3.629 3.960 -0.011 0.000 0.265 424 G C -0.023 174.836 174.900 -0.067 0.000 1.041 424 G CA 0.694 45.773 45.100 -0.035 0.000 0.807 424 G HN 0.301 nan 8.290 nan 0.000 0.502 425 M N -0.006 119.474 119.600 -0.200 0.000 2.069 425 M HA 0.252 4.726 4.480 -0.011 0.000 0.349 425 M C -1.320 174.703 176.300 -0.462 0.000 1.194 425 M CA -1.990 53.004 55.300 -0.511 0.000 1.081 425 M CB 1.588 33.975 32.600 -0.355 0.000 1.500 425 M HN -0.135 nan 8.290 nan 0.000 0.438 426 P HA -0.076 nan 4.420 nan 0.000 0.222 426 P C 1.274 178.423 177.300 -0.252 0.000 1.147 426 P CA 0.975 63.883 63.100 -0.320 0.000 0.790 426 P CB 0.174 31.686 31.700 -0.313 0.000 0.780 427 G N -0.987 107.600 108.800 -0.356 0.000 2.920 427 G HA2 0.168 4.121 3.960 -0.011 0.000 0.208 427 G HA3 0.168 4.121 3.960 -0.011 0.000 0.208 427 G C 0.735 175.630 174.900 -0.009 0.000 1.159 427 G CA 0.186 45.216 45.100 -0.115 0.000 0.784 427 G HN 0.392 nan 8.290 nan 0.000 0.535 428 G N -0.374 108.354 108.800 -0.120 0.000 2.461 428 G HA2 0.633 4.586 3.960 -0.011 0.000 0.329 428 G HA3 0.633 4.586 3.960 -0.011 0.000 0.329 428 G C -0.815 173.922 174.900 -0.272 0.000 1.170 428 G CA -0.747 44.298 45.100 -0.092 0.000 0.935 428 G HN 0.070 nan 8.290 nan 0.000 0.492 429 R N 0.445 120.752 120.500 -0.323 0.000 2.533 429 R HA 0.372 4.705 4.340 -0.011 0.000 0.288 429 R C -1.194 175.043 176.300 -0.104 0.000 1.039 429 R CA -0.748 55.147 56.100 -0.342 0.000 0.909 429 R CB 1.904 31.764 30.300 -0.733 0.000 1.195 429 R HN 0.734 nan 8.270 nan 0.000 0.438 430 N N 0.546 119.171 118.700 -0.124 0.000 2.416 430 N HA 0.446 5.179 4.740 -0.011 0.000 0.276 430 N C -1.493 173.748 175.510 -0.448 0.000 1.261 430 N CA -0.832 52.012 53.050 -0.343 0.000 0.790 430 N CB 1.989 40.167 38.487 -0.514 0.000 1.554 430 N HN 0.178 nan 8.380 nan 0.000 0.481 431 L N 1.951 122.765 121.223 -0.682 0.000 2.307 431 L HA 0.529 4.862 4.340 -0.011 0.000 0.282 431 L C -1.611 174.766 176.870 -0.823 0.000 1.051 431 L CA -0.163 54.344 54.840 -0.554 0.000 0.804 431 L CB 0.018 41.811 42.059 -0.443 0.000 1.197 431 L HN 0.520 nan 8.230 nan 0.000 0.431 432 Y N 3.310 123.279 120.300 -0.552 0.000 2.570 432 Y HA 0.532 5.075 4.550 -0.011 0.000 0.345 432 Y C -0.348 175.355 175.900 -0.330 0.000 1.014 432 Y CA -0.887 56.889 58.100 -0.540 0.000 1.063 432 Y CB 1.719 39.680 38.460 -0.831 0.000 1.272 432 Y HN 0.451 nan 8.280 nan 0.000 0.477 433 K N 3.471 123.836 120.400 -0.058 0.000 2.559 433 K HA 0.467 4.780 4.320 -0.011 0.000 0.249 433 K C -1.520 175.062 176.600 -0.031 0.000 0.958 433 K CA -0.711 55.448 56.287 -0.213 0.000 0.901 433 K CB 0.810 33.071 32.500 -0.397 0.000 1.124 433 K HN 0.751 nan 8.250 nan 0.000 0.437 434 I N 1.234 121.839 120.570 0.058 0.000 2.441 434 I HA 0.181 4.344 4.170 -0.011 0.000 0.287 434 I C -0.060 176.113 176.117 0.093 0.000 1.049 434 I CA 0.038 61.404 61.300 0.111 0.000 1.381 434 I CB 1.317 39.387 38.000 0.117 0.000 1.409 434 I HN 0.650 nan 8.210 nan 0.000 0.523 435 Q N 4.871 124.753 119.800 0.136 0.000 2.307 435 Q HA 0.156 4.489 4.340 -0.011 0.000 0.261 435 Q C 0.345 176.352 176.000 0.011 0.000 1.051 435 Q CA -0.505 55.378 55.803 0.134 0.000 0.911 435 Q CB 0.988 29.808 28.738 0.137 0.000 1.227 435 Q HN 0.915 nan 8.270 nan 0.000 0.418 436 L N 3.405 124.578 121.223 -0.083 0.000 2.189 436 L HA -0.248 4.085 4.340 -0.011 0.000 0.214 436 L C 2.351 179.194 176.870 -0.044 0.000 1.097 436 L CA 2.249 57.049 54.840 -0.066 0.000 0.764 436 L CB -0.556 41.439 42.059 -0.106 0.000 0.900 436 L HN 0.813 nan 8.230 nan 0.000 0.436 437 S N -2.569 113.088 115.700 -0.071 0.000 2.436 437 S HA -0.047 4.417 4.470 -0.011 0.000 0.228 437 S C 0.909 175.485 174.600 -0.040 0.000 1.014 437 S CA 0.583 58.749 58.200 -0.056 0.000 0.950 437 S CB 0.027 63.185 63.200 -0.071 0.000 0.784 437 S HN 0.429 nan 8.310 nan 0.000 0.504 438 D N 0.491 120.869 120.400 -0.035 0.000 2.472 438 D HA 0.159 4.792 4.640 -0.011 0.000 0.248 438 D C 0.373 176.620 176.300 -0.088 0.000 1.271 438 D CA -0.753 53.193 54.000 -0.090 0.000 0.888 438 D CB 0.181 40.928 40.800 -0.089 0.000 1.337 438 D HN 0.329 nan 8.370 nan 0.000 0.526 439 Y N 0.971 121.248 120.300 -0.038 0.000 2.384 439 Y HA -0.135 4.411 4.550 -0.007 0.000 0.289 439 Y C 1.708 177.608 175.900 -0.000 0.000 1.152 439 Y CA 1.260 59.346 58.100 -0.023 0.000 1.258 439 Y CB -0.805 37.633 38.460 -0.037 0.000 0.979 439 Y HN 0.066 nan 8.280 nan 0.000 0.549 440 T N 0.094 114.386 114.554 -0.436 0.000 2.665 440 T HA -0.211 4.133 4.350 -0.011 0.000 0.268 440 T C 0.770 175.434 174.700 -0.059 0.000 1.035 440 T CA 1.761 63.718 62.100 -0.240 0.000 1.151 440 T CB -0.278 68.414 68.868 -0.294 0.000 0.862 440 T HN 0.181 nan 8.240 nan 0.000 0.438 441 K N 1.662 122.035 120.400 -0.045 0.000 2.378 441 K HA 0.332 4.645 4.320 -0.011 0.000 0.288 441 K C -1.279 175.356 176.600 0.058 0.000 1.057 441 K CA -0.017 56.275 56.287 0.009 0.000 0.971 441 K CB 0.711 33.216 32.500 0.008 0.000 0.975 441 K HN -0.017 nan 8.250 nan 0.000 0.475 442 V N 3.256 123.211 119.914 0.068 0.000 2.569 442 V HA 0.283 4.396 4.120 -0.011 0.000 0.301 442 V C -0.478 175.662 176.094 0.077 0.000 1.044 442 V CA -0.972 61.392 62.300 0.105 0.000 0.874 442 V CB 2.176 34.097 31.823 0.165 0.000 1.002 442 V HN 0.740 nan 8.190 nan 0.000 0.424 443 T N 2.779 117.354 114.554 0.035 0.000 2.867 443 T HA 0.302 4.646 4.350 -0.011 0.000 0.282 443 T C -0.263 174.399 174.700 -0.064 0.000 1.000 443 T CA -0.291 61.796 62.100 -0.022 0.000 1.042 443 T CB 1.482 70.306 68.868 -0.074 0.000 0.973 443 T HN 0.773 nan 8.240 nan 0.000 0.465 444 C N 4.867 124.076 119.300 -0.153 0.000 2.303 444 C HA 0.429 4.883 4.460 -0.011 0.000 0.341 444 C C 1.697 176.417 174.990 -0.450 0.000 1.244 444 C CA -0.693 58.042 59.018 -0.472 0.000 1.765 444 C CB -1.954 25.458 27.740 -0.547 0.000 2.379 444 C HN 0.976 nan 8.230 nan 0.000 0.530 445 L N 4.504 125.420 121.223 -0.512 0.000 2.341 445 L HA 0.043 4.376 4.340 -0.011 0.000 0.214 445 L C 2.187 178.764 176.870 -0.489 0.000 1.115 445 L CA 1.220 55.825 54.840 -0.392 0.000 0.820 445 L CB -0.345 41.505 42.059 -0.349 0.000 0.944 445 L HN 0.891 nan 8.230 nan 0.000 0.452 446 S N -3.068 112.200 115.700 -0.720 0.000 2.575 446 S HA -0.012 4.451 4.470 -0.011 0.000 0.230 446 S C 1.935 176.059 174.600 -0.794 0.000 1.062 446 S CA -0.040 57.589 58.200 -0.952 0.000 0.913 446 S CB -0.326 61.887 63.200 -1.645 0.000 0.837 446 S HN 0.289 nan 8.310 nan 0.000 0.487 447 C N 2.397 121.229 119.300 -0.781 0.000 2.349 447 C HA -0.107 4.346 4.460 -0.011 0.000 0.274 447 C C 2.535 177.180 174.990 -0.574 0.000 1.178 447 C CA 1.774 60.259 59.018 -0.888 0.000 1.769 447 C CB -1.183 25.897 27.740 -1.100 0.000 2.047 447 C HN 0.635 nan 8.230 nan 0.000 0.448 448 E N -0.068 119.909 120.200 -0.372 0.000 2.479 448 E HA 0.158 4.501 4.350 -0.011 0.000 0.193 448 E C 1.921 178.461 176.600 -0.099 0.000 1.049 448 E CA -0.122 56.174 56.400 -0.174 0.000 0.870 448 E CB -0.197 29.434 29.700 -0.115 0.000 0.944 448 E HN 0.548 nan 8.360 nan 0.000 0.492 449 L N 0.368 121.520 121.223 -0.118 0.000 2.081 449 L HA -0.144 4.189 4.340 -0.011 0.000 0.212 449 L C 0.725 177.613 176.870 0.029 0.000 1.080 449 L CA 0.984 55.807 54.840 -0.027 0.000 0.754 449 L CB 0.028 42.081 42.059 -0.011 0.000 0.893 449 L HN 0.171 nan 8.230 nan 0.000 0.433 450 N N -1.829 116.904 118.700 0.056 0.000 3.111 450 N HA 0.069 4.803 4.740 -0.011 0.000 0.200 450 N C -2.182 173.364 175.510 0.060 0.000 1.464 450 N CA -0.588 52.491 53.050 0.049 0.000 0.758 450 N CB 0.867 39.378 38.487 0.041 0.000 1.548 450 N HN -0.173 nan 8.380 nan 0.000 0.595 451 P HA -0.089 nan 4.420 nan 0.000 0.222 451 P C 0.927 178.278 177.300 0.086 0.000 1.147 451 P CA 0.968 64.125 63.100 0.096 0.000 0.790 451 P CB 0.893 32.664 31.700 0.119 0.000 0.780 452 E N 0.623 120.851 120.200 0.047 0.000 2.042 452 E HA -0.125 4.218 4.350 -0.011 0.000 0.189 452 E C 2.240 178.841 176.600 0.002 0.000 0.974 452 E CA 0.557 56.973 56.400 0.027 0.000 0.806 452 E CB 0.080 29.788 29.700 0.013 0.000 0.769 452 E HN 0.117 nan 8.360 nan 0.000 0.451 453 R N -0.889 119.597 120.500 -0.023 0.000 2.246 453 R HA 0.170 4.503 4.340 -0.011 0.000 0.199 453 R C -0.043 176.199 176.300 -0.096 0.000 0.984 453 R CA 0.363 56.422 56.100 -0.070 0.000 1.015 453 R CB 0.040 30.283 30.300 -0.096 0.000 0.930 453 R HN -0.040 nan 8.270 nan 0.000 0.475 454 c N 0.849 119.405 118.600 -0.072 0.000 2.346 454 c HA 0.443 5.006 4.570 -0.011 0.000 0.326 454 c C -0.193 173.896 174.090 -0.003 0.000 1.224 454 c CA -0.512 55.710 56.329 -0.177 0.000 1.408 454 c CB 1.503 43.835 42.510 -0.298 0.000 2.089 454 c HN 0.645 nan 8.230 nan 0.000 0.456 455 Q N 0.627 120.423 119.800 -0.006 0.000 2.040 455 Q HA 0.193 4.526 4.340 -0.011 0.000 0.212 455 Q C -1.109 174.991 176.000 0.167 0.000 0.766 455 Q CA 0.073 55.970 55.803 0.157 0.000 0.967 455 Q CB 1.215 30.042 28.738 0.148 0.000 1.202 455 Q HN 0.772 nan 8.270 nan 0.000 0.446 456 Y N 0.612 120.853 120.300 -0.100 0.000 2.488 456 Y HA 0.385 4.929 4.550 -0.011 0.000 0.330 456 Y C -1.545 174.252 175.900 -0.172 0.000 1.013 456 Y CA -0.983 57.081 58.100 -0.061 0.000 1.304 456 Y CB 0.547 38.966 38.460 -0.068 0.000 1.098 456 Y HN -0.069 nan 8.280 nan 0.000 0.498 457 Y N 2.189 122.471 120.300 -0.030 0.000 2.457 457 Y HA 0.642 5.186 4.550 -0.010 0.000 0.333 457 Y C 0.541 176.422 175.900 -0.032 0.000 1.119 457 Y CA -0.747 57.324 58.100 -0.049 0.000 1.143 457 Y CB 1.978 40.359 38.460 -0.131 0.000 1.230 457 Y HN 0.498 nan 8.280 nan 0.000 0.469 458 S N 0.647 116.437 115.700 0.150 0.000 2.745 458 S HA 0.865 5.329 4.470 -0.011 0.000 0.306 458 S C -1.391 173.269 174.600 0.100 0.000 1.137 458 S CA -0.770 57.502 58.200 0.120 0.000 0.900 458 S CB 1.915 65.197 63.200 0.137 0.000 1.176 458 S HN 0.599 nan 8.310 nan 0.000 0.520 459 V N -0.119 119.858 119.914 0.106 0.000 3.087 459 V HA 0.816 4.930 4.120 -0.011 0.000 0.306 459 V C -1.357 174.819 176.094 0.137 0.000 1.187 459 V CA -0.297 62.042 62.300 0.065 0.000 0.999 459 V CB 2.289 34.089 31.823 -0.038 0.000 1.049 459 V HN 1.119 nan 8.190 nan 0.000 0.431 460 S N 4.314 120.082 115.700 0.113 0.000 2.707 460 S HA 0.709 5.172 4.470 -0.011 0.000 0.303 460 S C -1.315 173.420 174.600 0.225 0.000 1.132 460 S CA -0.334 58.033 58.200 0.279 0.000 1.046 460 S CB 0.611 64.020 63.200 0.349 0.000 1.004 460 S HN 0.498 nan 8.310 nan 0.000 0.483 461 F N 3.376 123.419 119.950 0.155 0.000 2.404 461 F HA 0.394 4.914 4.527 -0.011 0.000 0.339 461 F C 1.269 176.721 175.800 -0.580 0.000 1.105 461 F CA -0.338 57.590 58.000 -0.120 0.000 1.087 461 F CB 1.503 40.417 39.000 -0.144 0.000 1.143 461 F HN 0.620 nan 8.300 nan 0.000 0.491 462 S N 3.224 118.315 115.700 -1.014 0.000 2.569 462 S HA 0.013 4.476 4.470 -0.011 0.000 0.274 462 S C 1.491 175.814 174.600 -0.462 0.000 1.353 462 S CA -0.455 56.856 58.200 -1.482 0.000 1.023 462 S CB 0.729 63.212 63.200 -1.195 0.000 0.876 462 S HN 0.878 nan 8.310 nan 0.000 0.540 463 K N 1.450 121.713 120.400 -0.230 0.000 2.081 463 K HA -0.268 4.045 4.320 -0.011 0.000 0.222 463 K C 0.837 177.425 176.600 -0.020 0.000 1.055 463 K CA 2.450 58.720 56.287 -0.028 0.000 0.954 463 K CB -0.358 32.149 32.500 0.012 0.000 0.732 463 K HN 0.884 nan 8.250 nan 0.000 0.458 464 E N -0.919 119.248 120.200 -0.054 0.000 2.609 464 E HA 0.223 4.566 4.350 -0.011 0.000 0.208 464 E C -0.167 176.425 176.600 -0.013 0.000 1.013 464 E CA 0.374 56.768 56.400 -0.010 0.000 1.093 464 E CB 0.928 30.630 29.700 0.004 0.000 1.129 464 E HN 0.470 nan 8.360 nan 0.000 0.450 465 A N 1.658 124.461 122.820 -0.028 0.000 2.860 465 A HA -0.315 3.998 4.320 -0.011 0.000 0.267 465 A C 1.452 179.060 177.584 0.040 0.000 1.421 465 A CA 1.618 53.694 52.037 0.065 0.000 0.831 465 A CB -1.964 17.014 19.000 -0.036 0.000 1.041 465 A HN 0.334 nan 8.150 nan 0.000 0.623 466 K N -1.754 118.584 120.400 -0.102 0.000 2.103 466 K HA 0.035 4.348 4.320 -0.011 0.000 0.204 466 K C 0.252 176.570 176.600 -0.469 0.000 1.052 466 K CA 1.620 57.742 56.287 -0.274 0.000 0.945 466 K CB -0.012 32.294 32.500 -0.324 0.000 0.722 466 K HN 0.710 nan 8.250 nan 0.000 0.443 467 Y N -1.181 119.066 120.300 -0.089 0.000 2.602 467 Y HA 0.322 4.865 4.550 -0.011 0.000 0.342 467 Y C -0.894 174.898 175.900 -0.180 0.000 1.029 467 Y CA -1.447 56.584 58.100 -0.114 0.000 1.080 467 Y CB 1.638 40.066 38.460 -0.054 0.000 1.284 467 Y HN -0.042 nan 8.280 nan 0.000 0.485 468 Y N -1.016 119.235 120.300 -0.081 0.000 2.513 468 Y HA 0.475 5.018 4.550 -0.011 0.000 0.340 468 Y C -1.179 174.685 175.900 -0.060 0.000 1.055 468 Y CA -1.472 56.404 58.100 -0.374 0.000 1.020 468 Y CB 1.393 39.067 38.460 -1.309 0.000 1.301 468 Y HN 0.593 nan 8.280 nan 0.000 0.453 469 Q N 4.164 124.051 119.800 0.146 0.000 2.256 469 Q HA 0.489 4.822 4.340 -0.011 0.000 0.254 469 Q C -1.646 174.409 176.000 0.093 0.000 0.916 469 Q CA -0.643 55.216 55.803 0.092 0.000 0.932 469 Q CB 1.185 29.946 28.738 0.038 0.000 1.207 469 Q HN 0.979 nan 8.270 nan 0.000 0.426 470 L N 4.583 125.872 121.223 0.109 0.000 2.275 470 L HA 0.475 4.808 4.340 -0.011 0.000 0.288 470 L C 0.040 176.928 176.870 0.031 0.000 1.046 470 L CA -0.409 54.492 54.840 0.100 0.000 0.805 470 L CB 1.289 43.423 42.059 0.125 0.000 1.193 470 L HN 0.576 nan 8.230 nan 0.000 0.426 471 R N 3.596 124.080 120.500 -0.028 0.000 2.246 471 R HA 0.367 4.700 4.340 -0.011 0.000 0.332 471 R C -0.995 175.125 176.300 -0.298 0.000 0.974 471 R CA -0.404 55.515 56.100 -0.302 0.000 0.837 471 R CB 1.182 31.377 30.300 -0.175 0.000 1.145 471 R HN 0.716 nan 8.270 nan 0.000 0.467 472 c N 3.703 122.011 118.600 -0.488 0.000 2.355 472 c HA 0.578 5.142 4.570 -0.011 0.000 0.332 472 c C 0.921 174.761 174.090 -0.416 0.000 1.255 472 c CA -0.342 55.642 56.329 -0.574 0.000 1.792 472 c CB 1.127 43.087 42.510 -0.917 0.000 2.300 472 c HN 0.950 nan 8.230 nan 0.000 0.515 473 S N 3.333 118.878 115.700 -0.257 0.000 2.855 473 S HA 0.654 5.117 4.470 -0.011 0.000 0.249 473 S C 0.213 174.762 174.600 -0.085 0.000 1.033 473 S CA 0.239 58.347 58.200 -0.152 0.000 1.038 473 S CB -0.058 63.069 63.200 -0.121 0.000 0.960 473 S HN 2.131 nan 8.310 nan 0.000 0.548 474 G N 1.898 110.637 108.800 -0.101 0.000 2.336 474 G HA2 0.350 4.304 3.960 -0.011 0.000 0.300 474 G HA3 0.350 4.304 3.960 -0.011 0.000 0.300 474 G C -2.940 171.940 174.900 -0.035 0.000 1.375 474 G CA -0.417 44.668 45.100 -0.025 0.000 0.885 474 G HN -0.116 nan 8.290 nan 0.000 0.599 475 P HA 0.055 nan 4.420 nan 0.000 0.218 475 P C 1.470 178.768 177.300 -0.004 0.000 1.149 475 P CA 1.731 64.854 63.100 0.039 0.000 0.817 475 P CB 0.068 31.791 31.700 0.039 0.000 0.785 476 G N 0.312 109.044 108.800 -0.115 0.000 2.553 476 G HA2 0.319 4.272 3.960 -0.011 0.000 0.278 476 G HA3 0.319 4.272 3.960 -0.011 0.000 0.278 476 G C -0.476 174.151 174.900 -0.454 0.000 1.349 476 G CA -0.487 44.450 45.100 -0.271 0.000 1.037 476 G HN -0.012 nan 8.290 nan 0.000 0.508 477 L N 1.307 122.180 121.223 -0.585 0.000 2.525 477 L HA 0.176 4.509 4.340 -0.011 0.000 0.278 477 L C -1.645 175.078 176.870 -0.244 0.000 1.218 477 L CA -0.676 53.842 54.840 -0.536 0.000 0.878 477 L CB 0.043 41.874 42.059 -0.379 0.000 1.127 477 L HN 0.234 nan 8.230 nan 0.000 0.492 478 P HA -0.011 nan 4.420 nan 0.000 0.263 478 P C -0.882 176.362 177.300 -0.093 0.000 1.168 478 P CA 0.100 63.142 63.100 -0.097 0.000 0.759 478 P CB 0.392 32.135 31.700 0.070 0.000 0.782 479 L N 5.438 126.520 121.223 -0.234 0.000 2.457 479 L HA 0.390 4.723 4.340 -0.011 0.000 0.266 479 L C -1.648 175.088 176.870 -0.223 0.000 0.979 479 L CA -0.634 54.115 54.840 -0.151 0.000 0.857 479 L CB 0.426 42.393 42.059 -0.153 0.000 1.213 479 L HN 0.229 nan 8.230 nan 0.000 0.418 480 Y N 3.136 123.375 120.300 -0.102 0.000 2.367 480 Y HA 0.634 5.177 4.550 -0.011 0.000 0.342 480 Y C 0.897 176.675 175.900 -0.204 0.000 0.979 480 Y CA -0.250 57.768 58.100 -0.137 0.000 1.161 480 Y CB 1.514 39.874 38.460 -0.166 0.000 1.155 480 Y HN 0.650 nan 8.280 nan 0.000 0.503 481 T N 1.935 116.481 114.554 -0.012 0.000 2.916 481 T HA 0.665 5.009 4.350 -0.011 0.000 0.292 481 T C -1.391 173.278 174.700 -0.051 0.000 1.064 481 T CA -0.970 61.097 62.100 -0.055 0.000 1.011 481 T CB 1.991 70.911 68.868 0.087 0.000 1.152 481 T HN 0.461 nan 8.240 nan 0.000 0.510 482 L N 1.393 122.490 121.223 -0.209 0.000 2.381 482 L HA 0.593 4.926 4.340 -0.011 0.000 0.268 482 L C -1.003 175.624 176.870 -0.406 0.000 0.997 482 L CA -0.565 54.169 54.840 -0.176 0.000 0.818 482 L CB 1.804 43.751 42.059 -0.187 0.000 1.310 482 L HN 0.929 nan 8.230 nan 0.000 0.416 483 H N 1.266 120.105 119.070 -0.385 0.000 2.946 483 H HA 0.347 4.897 4.556 -0.011 0.000 0.365 483 H C -0.662 174.467 175.328 -0.331 0.000 1.197 483 H CA -0.721 55.017 56.048 -0.516 0.000 1.131 483 H CB 2.441 31.575 29.762 -1.048 0.000 1.849 483 H HN 0.546 nan 8.280 nan 0.000 0.555 484 S N 0.112 115.781 115.700 -0.052 0.000 2.437 484 S HA 0.116 4.579 4.470 -0.011 0.000 0.305 484 S C 1.021 175.642 174.600 0.035 0.000 1.109 484 S CA -0.325 57.906 58.200 0.052 0.000 1.099 484 S CB 1.393 64.645 63.200 0.086 0.000 1.004 484 S HN 0.694 nan 8.310 nan 0.000 0.475 485 S N 2.807 118.558 115.700 0.085 0.000 2.562 485 S HA -0.048 4.415 4.470 -0.011 0.000 0.221 485 S C 1.454 176.143 174.600 0.149 0.000 0.975 485 S CA 0.491 58.852 58.200 0.267 0.000 0.918 485 S CB -0.292 63.094 63.200 0.311 0.000 0.772 485 S HN 0.745 nan 8.310 nan 0.000 0.531 486 V N 3.128 123.080 119.914 0.064 0.000 2.453 486 V HA -0.055 4.058 4.120 -0.011 0.000 0.247 486 V C 1.481 177.617 176.094 0.069 0.000 1.048 486 V CA 2.015 64.357 62.300 0.069 0.000 1.049 486 V CB -0.465 31.370 31.823 0.021 0.000 0.672 486 V HN 0.870 nan 8.190 nan 0.000 0.457 487 N N -2.620 116.113 118.700 0.055 0.000 2.143 487 N HA 0.074 4.808 4.740 -0.011 0.000 0.229 487 N C 0.080 175.618 175.510 0.048 0.000 1.294 487 N CA 0.551 53.628 53.050 0.045 0.000 0.883 487 N CB 0.212 38.722 38.487 0.039 0.000 1.148 487 N HN 0.395 nan 8.380 nan 0.000 0.511 488 D N 0.566 121.014 120.400 0.080 0.000 2.911 488 D HA -0.191 4.442 4.640 -0.011 0.000 0.227 488 D C -0.421 175.941 176.300 0.103 0.000 1.164 488 D CA 1.046 55.120 54.000 0.124 0.000 0.782 488 D CB -1.282 39.583 40.800 0.109 0.000 1.094 488 D HN 0.780 nan 8.370 nan 0.000 0.425 489 K N -0.081 120.355 120.400 0.059 0.000 2.237 489 K HA 0.467 4.780 4.320 -0.011 0.000 0.270 489 K C 0.759 177.355 176.600 -0.006 0.000 1.015 489 K CA -0.170 56.136 56.287 0.031 0.000 0.949 489 K CB 1.008 33.512 32.500 0.006 0.000 0.976 489 K HN -0.023 nan 8.250 nan 0.000 0.472 490 G N 3.570 112.334 108.800 -0.060 0.000 2.444 490 G HA2 0.179 4.132 3.960 -0.011 0.000 0.303 490 G HA3 0.179 4.132 3.960 -0.011 0.000 0.303 490 G C 0.481 175.177 174.900 -0.341 0.000 1.032 490 G CA -0.736 44.148 45.100 -0.361 0.000 1.137 490 G HN 0.688 nan 8.290 nan 0.000 0.430 491 L N 1.608 122.599 121.223 -0.388 0.000 1.955 491 L HA 0.082 4.415 4.340 -0.011 0.000 0.213 491 L C 1.833 178.583 176.870 -0.200 0.000 1.072 491 L CA 1.436 56.140 54.840 -0.227 0.000 0.755 491 L CB -0.150 41.797 42.059 -0.188 0.000 0.888 491 L HN 0.722 nan 8.230 nan 0.000 0.432 492 R N -2.012 118.336 120.500 -0.252 0.000 2.692 492 R HA 0.448 4.781 4.340 -0.011 0.000 0.269 492 R C -1.602 174.569 176.300 -0.216 0.000 1.030 492 R CA -0.896 55.093 56.100 -0.185 0.000 0.882 492 R CB 1.396 31.621 30.300 -0.126 0.000 1.250 492 R HN -0.242 nan 8.270 nan 0.000 0.465 493 V N 3.474 123.288 119.914 -0.167 0.000 2.488 493 V HA 0.157 4.270 4.120 -0.011 0.000 0.277 493 V C 1.235 177.178 176.094 -0.251 0.000 1.046 493 V CA -0.321 61.877 62.300 -0.171 0.000 0.986 493 V CB 1.046 32.805 31.823 -0.107 0.000 0.989 493 V HN 0.673 nan 8.190 nan 0.000 0.475 494 L N 2.409 123.394 121.223 -0.397 0.000 2.200 494 L HA 0.347 4.680 4.340 -0.011 0.000 0.200 494 L C 0.719 177.199 176.870 -0.650 0.000 1.072 494 L CA 0.652 54.993 54.840 -0.832 0.000 0.787 494 L CB 0.169 41.360 42.059 -1.446 0.000 0.957 494 L HN 0.610 nan 8.230 nan 0.000 0.459 495 E N -0.000 120.017 120.200 -0.305 0.000 2.287 495 E HA 0.128 4.471 4.350 -0.011 0.000 0.274 495 E C -1.113 175.523 176.600 0.060 0.000 0.896 495 E CA -0.317 56.063 56.400 -0.034 0.000 0.788 495 E CB 1.283 31.010 29.700 0.045 0.000 1.244 495 E HN 0.183 nan 8.360 nan 0.000 0.408 496 D N 3.002 123.422 120.400 0.033 0.000 2.469 496 D HA 0.110 4.743 4.640 -0.011 0.000 0.213 496 D C -0.186 176.127 176.300 0.021 0.000 1.135 496 D CA -0.152 53.858 54.000 0.016 0.000 0.834 496 D CB 0.025 40.816 40.800 -0.015 0.000 1.009 496 D HN 0.451 nan 8.370 nan 0.000 0.507 497 N N 0.307 119.039 118.700 0.053 0.000 2.778 497 N HA -0.243 4.490 4.740 -0.011 0.000 0.249 497 N C 1.065 176.593 175.510 0.030 0.000 1.069 497 N CA 1.055 54.136 53.050 0.053 0.000 0.831 497 N CB -1.567 36.950 38.487 0.051 0.000 1.142 497 N HN 0.460 nan 8.380 nan 0.000 0.573 498 S N -0.650 115.062 115.700 0.020 0.000 2.407 498 S HA -0.173 4.290 4.470 -0.011 0.000 0.235 498 S C 2.109 176.729 174.600 0.032 0.000 1.036 498 S CA 1.372 59.581 58.200 0.014 0.000 1.013 498 S CB -0.328 62.879 63.200 0.011 0.000 0.820 498 S HN 0.570 nan 8.310 nan 0.000 0.476 499 A N 1.925 124.774 122.820 0.048 0.000 1.883 499 A HA -0.000 4.313 4.320 -0.011 0.000 0.217 499 A C 2.235 179.869 177.584 0.083 0.000 1.186 499 A CA 1.728 53.803 52.037 0.062 0.000 0.624 499 A CB -0.839 18.201 19.000 0.067 0.000 0.822 499 A HN 0.534 nan 8.150 nan 0.000 0.444 500 L N -0.092 121.186 121.223 0.091 0.000 2.109 500 L HA -0.098 4.235 4.340 -0.011 0.000 0.207 500 L C 1.887 178.807 176.870 0.083 0.000 1.086 500 L CA 2.502 57.418 54.840 0.126 0.000 0.760 500 L CB -0.708 41.431 42.059 0.133 0.000 0.910 500 L HN 0.413 nan 8.230 nan 0.000 0.437 501 D N -0.144 120.274 120.400 0.030 0.000 2.158 501 D HA -0.255 4.378 4.640 -0.011 0.000 0.197 501 D C 2.071 178.386 176.300 0.024 0.000 0.995 501 D CA 1.018 55.016 54.000 -0.003 0.000 0.846 501 D CB 0.009 40.794 40.800 -0.025 0.000 0.941 501 D HN 0.299 nan 8.370 nan 0.000 0.456 502 K N 0.546 120.973 120.400 0.045 0.000 1.987 502 K HA -0.180 4.133 4.320 -0.011 0.000 0.216 502 K C 2.271 178.919 176.600 0.080 0.000 1.051 502 K CA 1.344 57.664 56.287 0.055 0.000 0.942 502 K CB -0.535 32.000 32.500 0.059 0.000 0.722 502 K HN 0.233 nan 8.250 nan 0.000 0.444 503 M N 0.438 120.114 119.600 0.126 0.000 2.159 503 M HA -0.166 4.307 4.480 -0.011 0.000 0.263 503 M C 2.207 178.597 176.300 0.150 0.000 1.063 503 M CA 0.943 56.364 55.300 0.202 0.000 1.110 503 M CB -0.244 32.570 32.600 0.356 0.000 1.374 503 M HN 0.039 nan 8.290 nan 0.000 0.411 504 L N 0.400 121.659 121.223 0.059 0.000 2.201 504 L HA -0.152 4.182 4.340 -0.011 0.000 0.212 504 L C 2.305 179.164 176.870 -0.019 0.000 1.105 504 L CA 1.800 56.612 54.840 -0.046 0.000 0.775 504 L CB -0.858 41.164 42.059 -0.061 0.000 0.913 504 L HN 0.340 nan 8.230 nan 0.000 0.440 505 Q N -1.300 118.507 119.800 0.012 0.000 2.369 505 Q HA -0.155 4.178 4.340 -0.011 0.000 0.206 505 Q C 1.986 178.007 176.000 0.035 0.000 0.963 505 Q CA 0.746 56.559 55.803 0.017 0.000 0.894 505 Q CB -0.090 28.659 28.738 0.018 0.000 0.965 505 Q HN 0.523 nan 8.270 nan 0.000 0.475 506 N N 0.472 119.205 118.700 0.054 0.000 2.106 506 N HA -0.102 4.631 4.740 -0.011 0.000 0.188 506 N C 0.561 176.113 175.510 0.071 0.000 1.029 506 N CA 0.688 53.781 53.050 0.072 0.000 0.848 506 N CB 0.090 38.638 38.487 0.102 0.000 1.007 506 N HN 0.139 nan 8.380 nan 0.000 0.423 507 V N 2.706 122.651 119.914 0.053 0.000 2.614 507 V HA 0.061 4.174 4.120 -0.011 0.000 0.291 507 V C -0.008 176.096 176.094 0.018 0.000 1.049 507 V CA -0.494 61.831 62.300 0.042 0.000 1.038 507 V CB 0.965 32.786 31.823 -0.003 0.000 0.980 507 V HN 0.339 nan 8.190 nan 0.000 0.481 508 Q N 6.790 126.609 119.800 0.032 0.000 2.534 508 Q HA 0.321 4.654 4.340 -0.011 0.000 0.223 508 Q C -0.379 175.583 176.000 -0.063 0.000 1.239 508 Q CA -0.391 55.406 55.803 -0.009 0.000 0.936 508 Q CB 0.447 29.190 28.738 0.008 0.000 1.457 508 Q HN 0.664 nan 8.270 nan 0.000 0.547 509 M N 3.545 123.101 119.600 -0.072 0.000 2.240 509 M HA 0.277 4.750 4.480 -0.011 0.000 0.333 509 M C -1.846 174.374 176.300 -0.132 0.000 1.110 509 M CA -1.918 53.321 55.300 -0.103 0.000 1.173 509 M CB -0.019 32.530 32.600 -0.085 0.000 1.458 509 M HN 0.452 nan 8.290 nan 0.000 0.458 510 P HA 0.224 nan 4.420 nan 0.000 0.286 510 P C -0.993 176.218 177.300 -0.148 0.000 1.293 510 P CA -0.339 62.648 63.100 -0.187 0.000 0.770 510 P CB 0.477 32.044 31.700 -0.223 0.000 1.206 511 S N -2.459 113.138 115.700 -0.173 0.000 2.540 511 S HA 0.471 4.934 4.470 -0.011 0.000 0.275 511 S C -0.829 173.684 174.600 -0.145 0.000 1.123 511 S CA -0.960 57.166 58.200 -0.124 0.000 0.907 511 S CB 1.896 65.031 63.200 -0.108 0.000 1.081 511 S HN 0.420 nan 8.310 nan 0.000 0.476 512 K N 1.319 121.670 120.400 -0.082 0.000 2.183 512 K HA 0.330 4.643 4.320 -0.011 0.000 0.274 512 K C -0.898 175.667 176.600 -0.059 0.000 1.009 512 K CA -0.464 55.781 56.287 -0.071 0.000 0.888 512 K CB 0.866 33.352 32.500 -0.023 0.000 1.078 512 K HN 0.713 nan 8.250 nan 0.000 0.459 513 K N 6.493 126.849 120.400 -0.073 0.000 2.367 513 K HA 0.217 4.530 4.320 -0.011 0.000 0.263 513 K C -1.190 175.379 176.600 -0.053 0.000 1.000 513 K CA -0.659 55.598 56.287 -0.050 0.000 0.891 513 K CB 0.832 33.296 32.500 -0.060 0.000 1.117 513 K HN 0.511 nan 8.250 nan 0.000 0.443 514 L N 4.382 125.596 121.223 -0.017 0.000 2.282 514 L HA 0.514 4.848 4.340 -0.011 0.000 0.288 514 L C -1.073 175.817 176.870 0.033 0.000 1.033 514 L CA 0.302 55.156 54.840 0.024 0.000 0.807 514 L CB 1.227 43.359 42.059 0.123 0.000 1.209 514 L HN 0.911 nan 8.230 nan 0.000 0.423 515 D N 3.465 123.777 120.400 -0.146 0.000 3.182 515 D HA 0.504 5.137 4.640 -0.011 0.000 0.352 515 D C -1.670 174.373 176.300 -0.428 0.000 1.421 515 D CA 0.116 53.923 54.000 -0.322 0.000 0.912 515 D CB 1.484 41.967 40.800 -0.528 0.000 1.461 515 D HN 0.343 nan 8.370 nan 0.000 0.548 516 F N -0.122 119.578 119.950 -0.417 0.000 2.654 516 F HA 0.681 5.202 4.527 -0.011 0.000 0.308 516 F C -1.008 174.898 175.800 0.176 0.000 1.108 516 F CA -1.130 56.740 58.000 -0.218 0.000 0.957 516 F CB 0.777 39.182 39.000 -0.991 0.000 1.309 516 F HN 0.288 nan 8.300 nan 0.000 0.446 517 I N 0.483 121.346 120.570 0.487 0.000 2.797 517 I HA 0.670 4.834 4.170 -0.011 0.000 0.307 517 I C -1.101 175.239 176.117 0.372 0.000 1.033 517 I CA -1.240 60.262 61.300 0.337 0.000 1.071 517 I CB 2.205 40.343 38.000 0.229 0.000 1.255 517 I HN 0.460 nan 8.210 nan 0.000 0.445 518 I N 5.275 125.999 120.570 0.257 0.000 2.307 518 I HA 0.383 4.546 4.170 -0.011 0.000 0.289 518 I C -0.691 175.549 176.117 0.205 0.000 1.021 518 I CA -0.435 60.998 61.300 0.220 0.000 1.224 518 I CB 0.883 38.973 38.000 0.150 0.000 1.376 518 I HN 0.390 nan 8.210 nan 0.000 0.470 519 L N 6.771 128.179 121.223 0.308 0.000 2.325 519 L HA 0.454 4.787 4.340 -0.011 0.000 0.281 519 L C 0.758 177.767 176.870 0.232 0.000 1.004 519 L CA -0.282 54.719 54.840 0.268 0.000 0.823 519 L CB 0.689 42.944 42.059 0.327 0.000 1.236 519 L HN 0.494 nan 8.230 nan 0.000 0.415 520 N N 3.151 121.924 118.700 0.121 0.000 2.721 520 N HA -0.240 4.493 4.740 -0.011 0.000 0.249 520 N C 0.267 175.810 175.510 0.055 0.000 1.072 520 N CA 1.267 54.362 53.050 0.075 0.000 0.710 520 N CB -0.310 38.218 38.487 0.068 0.000 0.993 520 N HN 0.891 nan 8.380 nan 0.000 0.547 521 E N -3.922 116.309 120.200 0.051 0.000 3.801 521 E HA -0.211 4.132 4.350 -0.011 0.000 0.319 521 E C -0.504 176.087 176.600 -0.016 0.000 0.784 521 E CA 1.414 57.826 56.400 0.020 0.000 1.183 521 E CB -1.424 28.279 29.700 0.006 0.000 1.601 521 E HN 0.456 nan 8.360 nan 0.000 0.441 522 T N 0.762 115.302 114.554 -0.022 0.000 2.902 522 T HA 0.360 4.703 4.350 -0.011 0.000 0.283 522 T C 0.001 174.560 174.700 -0.236 0.000 1.009 522 T CA -0.635 61.352 62.100 -0.188 0.000 1.051 522 T CB 2.004 70.670 68.868 -0.337 0.000 0.999 522 T HN 0.022 nan 8.240 nan 0.000 0.474 523 K N 2.107 122.307 120.400 -0.333 0.000 2.227 523 K HA 0.440 4.753 4.320 -0.011 0.000 0.280 523 K C -1.416 174.954 176.600 -0.384 0.000 1.041 523 K CA -0.359 55.759 56.287 -0.282 0.000 0.905 523 K CB 0.390 32.667 32.500 -0.371 0.000 1.068 523 K HN 0.424 nan 8.250 nan 0.000 0.470 524 F N 3.177 123.170 119.950 0.072 0.000 2.518 524 F HA 0.346 4.867 4.527 -0.010 0.000 0.323 524 F C -0.651 175.237 175.800 0.147 0.000 1.129 524 F CA -0.636 57.429 58.000 0.107 0.000 0.920 524 F CB 0.982 40.089 39.000 0.178 0.000 1.160 524 F HN 0.478 nan 8.300 nan 0.000 0.440 525 W N 3.679 125.127 121.300 0.247 0.000 2.448 525 W HA 0.565 5.218 4.660 -0.012 0.000 0.339 525 W C -0.755 175.950 176.519 0.311 0.000 1.124 525 W CA -0.632 56.883 57.345 0.283 0.000 1.262 525 W CB 0.903 30.460 29.460 0.163 0.000 1.251 525 W HN 0.438 nan 8.180 nan 0.000 0.597 526 Y N -0.320 120.332 120.300 0.585 0.000 2.588 526 Y HA 0.644 5.188 4.550 -0.011 0.000 0.343 526 Y C -0.960 175.183 175.900 0.406 0.000 1.065 526 Y CA -1.845 56.594 58.100 0.565 0.000 1.038 526 Y CB 1.053 40.037 38.460 0.873 0.000 1.297 526 Y HN 0.584 nan 8.280 nan 0.000 0.467 527 Q N 2.599 122.644 119.800 0.407 0.000 2.413 527 Q HA 0.799 5.132 4.340 -0.011 0.000 0.276 527 Q C -1.585 174.548 176.000 0.221 0.000 1.099 527 Q CA -1.188 54.737 55.803 0.204 0.000 0.814 527 Q CB 3.348 32.171 28.738 0.141 0.000 1.379 527 Q HN 0.846 nan 8.270 nan 0.000 0.436 528 M N 2.101 121.746 119.600 0.075 0.000 2.386 528 M HA 0.447 4.920 4.480 -0.011 0.000 0.293 528 M C -1.328 174.891 176.300 -0.135 0.000 1.120 528 M CA -0.902 54.368 55.300 -0.051 0.000 0.909 528 M CB 2.359 34.888 32.600 -0.119 0.000 1.661 528 M HN 0.618 nan 8.290 nan 0.000 0.452 529 I N 5.167 125.637 120.570 -0.167 0.000 2.307 529 I HA 0.342 4.506 4.170 -0.011 0.000 0.287 529 I C -0.597 175.317 176.117 -0.337 0.000 1.054 529 I CA -0.293 60.877 61.300 -0.216 0.000 1.218 529 I CB 0.014 37.907 38.000 -0.178 0.000 1.398 529 I HN 0.617 nan 8.210 nan 0.000 0.475 530 L N 8.078 129.038 121.223 -0.438 0.000 2.292 530 L HA 0.428 4.761 4.340 -0.011 0.000 0.284 530 L C -2.127 174.445 176.870 -0.496 0.000 1.065 530 L CA -1.752 52.670 54.840 -0.696 0.000 0.806 530 L CB 0.799 42.236 42.059 -1.036 0.000 1.175 530 L HN 0.233 nan 8.230 nan 0.000 0.431 531 P HA -0.007 nan 4.420 nan 0.000 0.267 531 P C -2.404 174.760 177.300 -0.226 0.000 1.201 531 P CA -0.717 62.204 63.100 -0.299 0.000 0.775 531 P CB -0.334 31.201 31.700 -0.275 0.000 0.854 532 P HA -0.105 nan 4.420 nan 0.000 0.265 532 P C -0.082 176.880 177.300 -0.563 0.000 1.187 532 P CA 0.691 63.522 63.100 -0.449 0.000 0.766 532 P CB -0.227 31.120 31.700 -0.589 0.000 0.820 533 H N 0.062 119.163 119.070 0.051 0.000 2.252 533 H HA -0.236 4.313 4.556 -0.011 0.000 0.314 533 H C -0.825 174.565 175.328 0.102 0.000 0.918 533 H CA -0.061 56.024 56.048 0.062 0.000 1.042 533 H CB -2.359 27.427 29.762 0.039 0.000 1.604 533 H HN 0.353 nan 8.280 nan 0.000 0.331 534 F N 2.810 122.750 119.950 -0.017 0.000 2.413 534 F HA 0.306 4.826 4.527 -0.011 0.000 0.359 534 F C 0.121 175.934 175.800 0.022 0.000 1.122 534 F CA -1.089 56.873 58.000 -0.063 0.000 1.160 534 F CB 0.781 39.624 39.000 -0.262 0.000 1.146 534 F HN 0.390 nan 8.300 nan 0.000 0.514 535 D N 5.552 125.757 120.400 -0.326 0.000 2.264 535 D HA 0.149 4.783 4.640 -0.011 0.000 0.250 535 D C 0.438 176.338 176.300 -0.666 0.000 1.113 535 D CA -0.433 53.340 54.000 -0.379 0.000 0.871 535 D CB 1.081 41.805 40.800 -0.127 0.000 1.167 535 D HN 0.585 nan 8.370 nan 0.000 0.447 536 K N 1.554 121.620 120.400 -0.557 0.000 2.437 536 K HA 0.041 4.354 4.320 -0.011 0.000 0.198 536 K C 0.271 176.860 176.600 -0.019 0.000 1.024 536 K CA -0.045 56.022 56.287 -0.367 0.000 1.148 536 K CB -0.201 32.174 32.500 -0.209 0.000 0.860 536 K HN 0.264 nan 8.250 nan 0.000 0.515 537 S N -0.440 115.223 115.700 -0.062 0.000 2.819 537 S HA 0.283 4.746 4.470 -0.011 0.000 0.249 537 S C -0.130 174.437 174.600 -0.054 0.000 1.030 537 S CA -0.694 57.494 58.200 -0.020 0.000 1.052 537 S CB 0.295 63.476 63.200 -0.032 0.000 1.017 537 S HN 0.117 nan 8.310 nan 0.000 0.576 538 K N 1.925 122.268 120.400 -0.095 0.000 2.159 538 K HA 0.410 4.723 4.320 -0.011 0.000 0.266 538 K C -0.629 175.838 176.600 -0.222 0.000 0.975 538 K CA -0.752 55.399 56.287 -0.226 0.000 0.865 538 K CB 0.890 33.149 32.500 -0.401 0.000 1.087 538 K HN -0.054 nan 8.250 nan 0.000 0.446 539 K N 3.197 123.469 120.400 -0.213 0.000 2.338 539 K HA 0.135 4.448 4.320 -0.011 0.000 0.290 539 K C -0.722 175.755 176.600 -0.206 0.000 1.069 539 K CA 0.078 56.294 56.287 -0.117 0.000 0.941 539 K CB 0.140 32.580 32.500 -0.100 0.000 1.023 539 K HN 0.423 nan 8.250 nan 0.000 0.477 540 Y N 3.776 124.125 120.300 0.081 0.000 2.361 540 Y HA 0.227 4.771 4.550 -0.011 0.000 0.332 540 Y C -1.685 174.169 175.900 -0.077 0.000 1.101 540 Y CA -2.389 55.734 58.100 0.039 0.000 1.137 540 Y CB 0.980 39.526 38.460 0.144 0.000 1.207 540 Y HN 0.471 nan 8.280 nan 0.000 0.463 541 P HA 0.112 nan 4.420 nan 0.000 0.271 541 P C -1.007 176.170 177.300 -0.206 0.000 1.218 541 P CA -0.078 62.776 63.100 -0.411 0.000 0.780 541 P CB 1.418 32.638 31.700 -0.799 0.000 0.901 542 L N 3.396 124.502 121.223 -0.194 0.000 2.385 542 L HA 0.535 4.868 4.340 -0.011 0.000 0.273 542 L C -1.217 175.840 176.870 0.311 0.000 0.990 542 L CA -1.227 53.658 54.840 0.075 0.000 0.821 542 L CB 1.782 43.894 42.059 0.090 0.000 1.279 542 L HN 0.168 nan 8.230 nan 0.000 0.412 543 L N 5.377 126.799 121.223 0.331 0.000 2.313 543 L HA 0.540 4.873 4.340 -0.011 0.000 0.283 543 L C -1.412 175.695 176.870 0.395 0.000 1.013 543 L CA -0.367 54.727 54.840 0.424 0.000 0.816 543 L CB 1.670 43.922 42.059 0.323 0.000 1.236 543 L HN 0.613 nan 8.230 nan 0.000 0.419 544 L N 4.796 126.314 121.223 0.490 0.000 2.257 544 L HA 0.451 4.784 4.340 -0.011 0.000 0.290 544 L C -0.801 176.322 176.870 0.421 0.000 1.044 544 L CA 0.036 55.148 54.840 0.452 0.000 0.810 544 L CB 0.887 43.256 42.059 0.517 0.000 1.193 544 L HN 0.694 nan 8.230 nan 0.000 0.425 545 D N 4.274 124.894 120.400 0.368 0.000 2.380 545 D HA 0.230 4.864 4.640 -0.011 0.000 0.230 545 D C -0.934 175.463 176.300 0.161 0.000 1.154 545 D CA 0.050 54.197 54.000 0.246 0.000 0.859 545 D CB 1.054 42.064 40.800 0.350 0.000 1.045 545 D HN 0.314 nan 8.370 nan 0.000 0.495 546 V N 5.904 125.843 119.914 0.041 0.000 2.547 546 V HA 0.451 4.564 4.120 -0.011 0.000 0.299 546 V C -0.783 175.427 176.094 0.195 0.000 1.040 546 V CA -0.342 62.045 62.300 0.146 0.000 0.913 546 V CB 1.541 33.448 31.823 0.141 0.000 0.992 546 V HN 0.629 nan 8.190 nan 0.000 0.449 547 Y N 5.427 125.802 120.300 0.125 0.000 3.208 547 Y HA 0.480 5.024 4.550 -0.011 0.000 0.205 547 Y C 1.546 177.567 175.900 0.202 0.000 0.923 547 Y CA 1.199 59.393 58.100 0.157 0.000 1.596 547 Y CB -0.147 38.388 38.460 0.125 0.000 1.478 547 Y HN 1.236 nan 8.280 nan 0.000 0.409 548 A N 0.994 123.819 122.820 0.008 0.000 3.132 548 A HA -0.178 4.136 4.320 -0.011 0.000 0.266 548 A C 1.197 178.583 177.584 -0.330 0.000 1.216 548 A CA 1.318 53.311 52.037 -0.073 0.000 0.985 548 A CB -2.500 16.600 19.000 0.166 0.000 1.102 548 A HN 1.058 nan 8.150 nan 0.000 0.833 549 G N -0.971 107.320 108.800 -0.848 0.000 2.683 549 G HA2 0.444 4.397 3.960 -0.011 0.000 0.260 549 G HA3 0.444 4.397 3.960 -0.011 0.000 0.260 549 G C -2.301 172.114 174.900 -0.809 0.000 1.238 549 G CA -0.655 43.632 45.100 -1.354 0.000 0.934 549 G HN 0.294 nan 8.290 nan 0.000 0.534 550 P HA 0.095 nan 4.420 nan 0.000 0.261 550 P C 0.535 177.570 177.300 -0.441 0.000 1.203 550 P CA 0.212 62.919 63.100 -0.654 0.000 0.767 550 P CB 0.518 31.337 31.700 -1.469 0.000 0.785 551 C N 2.814 121.930 119.300 -0.306 0.000 4.497 551 C HA -0.177 4.276 4.460 -0.011 0.000 0.268 551 C C 1.165 176.051 174.990 -0.173 0.000 1.343 551 C CA 1.096 59.932 59.018 -0.304 0.000 1.742 551 C CB -2.671 24.793 27.740 -0.459 0.000 1.450 551 C HN 0.788 nan 8.230 nan 0.000 0.733 552 S N 0.285 115.807 115.700 -0.297 0.000 2.572 552 S HA 0.348 4.811 4.470 -0.011 0.000 0.267 552 S C -0.381 174.189 174.600 -0.051 0.000 1.361 552 S CA 0.945 58.917 58.200 -0.380 0.000 1.009 552 S CB 1.093 63.650 63.200 -1.072 0.000 0.888 552 S HN 0.883 nan 8.310 nan 0.000 0.553 553 Q N 0.297 120.190 119.800 0.156 0.000 2.759 553 Q HA 0.241 4.574 4.340 -0.011 0.000 0.225 553 Q C -0.512 175.646 176.000 0.265 0.000 0.823 553 Q CA -0.499 55.449 55.803 0.241 0.000 0.828 553 Q CB 0.737 29.722 28.738 0.411 0.000 1.425 553 Q HN 0.759 nan 8.270 nan 0.000 0.449 554 K N 0.321 120.860 120.400 0.233 0.000 2.379 554 K HA 0.263 4.576 4.320 -0.011 0.000 0.194 554 K C -0.029 176.703 176.600 0.220 0.000 1.031 554 K CA 0.388 56.824 56.287 0.249 0.000 1.037 554 K CB 0.987 33.653 32.500 0.275 0.000 0.824 554 K HN 0.474 nan 8.250 nan 0.000 0.516 555 A N 2.823 125.774 122.820 0.219 0.000 2.412 555 A HA 0.334 4.648 4.320 -0.011 0.000 0.334 555 A C -0.761 176.920 177.584 0.163 0.000 1.419 555 A CA -0.611 51.556 52.037 0.217 0.000 0.930 555 A CB 0.024 19.201 19.000 0.295 0.000 1.149 555 A HN 0.242 nan 8.150 nan 0.000 0.515 556 D N -0.178 120.302 120.400 0.133 0.000 2.798 556 D HA 0.478 5.112 4.640 -0.011 0.000 0.308 556 D C 0.628 176.984 176.300 0.094 0.000 1.187 556 D CA 0.307 54.384 54.000 0.127 0.000 1.033 556 D CB 0.399 41.320 40.800 0.201 0.000 1.445 556 D HN 0.150 nan 8.370 nan 0.000 0.550 557 T N -2.581 112.055 114.554 0.136 0.000 3.069 557 T HA 0.262 4.605 4.350 -0.011 0.000 0.252 557 T C 0.570 175.287 174.700 0.028 0.000 1.053 557 T CA -0.299 61.864 62.100 0.105 0.000 0.964 557 T CB -0.448 68.514 68.868 0.156 0.000 1.005 557 T HN 0.245 nan 8.240 nan 0.000 0.532 558 V N 2.579 122.410 119.914 -0.138 0.000 2.901 558 V HA 0.230 4.343 4.120 -0.011 0.000 0.307 558 V C 0.211 176.277 176.094 -0.046 0.000 1.084 558 V CA -0.368 61.788 62.300 -0.239 0.000 1.184 558 V CB -0.040 31.503 31.823 -0.466 0.000 0.941 558 V HN 0.568 nan 8.190 nan 0.000 0.493 559 F N 5.904 125.765 119.950 -0.148 0.000 2.404 559 F HA 0.629 5.149 4.527 -0.011 0.000 0.345 559 F C 0.381 176.125 175.800 -0.092 0.000 1.110 559 F CA -0.450 57.485 58.000 -0.107 0.000 1.130 559 F CB 0.608 39.550 39.000 -0.096 0.000 1.129 559 F HN 0.401 nan 8.300 nan 0.000 0.500 560 R N 6.503 126.446 120.500 -0.929 0.000 2.673 560 R HA 0.510 4.843 4.340 -0.011 0.000 0.281 560 R C -1.639 174.182 176.300 -0.799 0.000 0.991 560 R CA -1.004 54.710 56.100 -0.643 0.000 0.896 560 R CB 2.118 32.231 30.300 -0.312 0.000 1.201 560 R HN 0.681 nan 8.270 nan 0.000 0.457 561 L N 4.363 125.320 121.223 -0.443 0.000 2.371 561 L HA 0.348 4.682 4.340 -0.011 0.000 0.262 561 L C -0.652 176.176 176.870 -0.071 0.000 1.054 561 L CA -0.639 54.022 54.840 -0.298 0.000 0.924 561 L CB 0.154 42.181 42.059 -0.053 0.000 1.295 561 L HN 0.716 nan 8.230 nan 0.000 0.441 562 N N -0.387 118.174 118.700 -0.232 0.000 3.283 562 N HA 0.181 4.914 4.740 -0.011 0.000 0.338 562 N C 0.299 175.417 175.510 -0.654 0.000 1.517 562 N CA -0.929 51.865 53.050 -0.425 0.000 0.733 562 N CB 0.181 38.567 38.487 -0.168 0.000 1.797 562 N HN 0.234 nan 8.380 nan 0.000 0.637 563 W N 0.473 121.135 121.300 -1.063 0.000 2.325 563 W HA 0.046 4.699 4.660 -0.011 0.000 0.299 563 W C 1.977 178.434 176.519 -0.103 0.000 1.215 563 W CA 2.810 59.795 57.345 -0.600 0.000 1.244 563 W CB -0.924 28.304 29.460 -0.388 0.000 1.140 563 W HN 0.692 nan 8.180 nan 0.000 0.523 564 A N -0.514 122.224 122.820 -0.136 0.000 1.933 564 A HA -0.194 4.119 4.320 -0.011 0.000 0.218 564 A C 1.951 179.393 177.584 -0.236 0.000 1.175 564 A CA 2.472 54.377 52.037 -0.221 0.000 0.628 564 A CB -1.342 17.620 19.000 -0.064 0.000 0.814 564 A HN 0.294 nan 8.150 nan 0.000 0.444 565 T N -1.019 113.401 114.554 -0.223 0.000 2.665 565 T HA -0.280 4.064 4.350 -0.011 0.000 0.268 565 T C 1.775 176.438 174.700 -0.062 0.000 1.035 565 T CA 1.905 63.835 62.100 -0.285 0.000 1.151 565 T CB -0.578 67.927 68.868 -0.606 0.000 0.862 565 T HN 0.720 nan 8.240 nan 0.000 0.438 566 Y N 1.573 121.906 120.300 0.055 0.000 2.293 566 Y HA 0.029 4.572 4.550 -0.011 0.000 0.291 566 Y C 1.944 177.788 175.900 -0.094 0.000 1.137 566 Y CA 0.868 59.041 58.100 0.121 0.000 1.202 566 Y CB -0.466 38.062 38.460 0.113 0.000 0.990 566 Y HN 0.113 nan 8.280 nan 0.000 0.537 567 L N 0.197 121.017 121.223 -0.670 0.000 2.093 567 L HA -0.125 4.208 4.340 -0.011 0.000 0.208 567 L C 2.834 179.433 176.870 -0.453 0.000 1.085 567 L CA 1.094 55.468 54.840 -0.777 0.000 0.755 567 L CB -0.796 40.839 42.059 -0.708 0.000 0.904 567 L HN 0.393 nan 8.230 nan 0.000 0.435 568 A N -1.137 121.482 122.820 -0.335 0.000 1.854 568 A HA -0.186 4.127 4.320 -0.011 0.000 0.214 568 A C 2.520 179.975 177.584 -0.214 0.000 1.192 568 A CA 1.818 53.694 52.037 -0.268 0.000 0.611 568 A CB -0.707 18.132 19.000 -0.268 0.000 0.832 568 A HN 0.319 nan 8.150 nan 0.000 0.442 569 S N -1.290 114.314 115.700 -0.160 0.000 2.355 569 S HA -0.109 4.354 4.470 -0.011 0.000 0.222 569 S C 1.963 176.540 174.600 -0.037 0.000 1.031 569 S CA 2.269 60.427 58.200 -0.071 0.000 0.993 569 S CB -0.364 62.863 63.200 0.045 0.000 0.859 569 S HN 0.588 nan 8.310 nan 0.000 0.453 570 T N 1.029 115.545 114.554 -0.063 0.000 3.004 570 T HA 0.202 4.545 4.350 -0.011 0.000 0.243 570 T C 1.304 175.949 174.700 -0.091 0.000 1.020 570 T CA 0.404 62.494 62.100 -0.017 0.000 1.145 570 T CB -0.099 68.852 68.868 0.138 0.000 0.876 570 T HN 0.280 nan 8.240 nan 0.000 0.449 571 E N 1.345 121.385 120.200 -0.266 0.000 2.479 571 E HA 0.173 4.517 4.350 -0.011 0.000 0.193 571 E C -0.118 176.438 176.600 -0.073 0.000 1.049 571 E CA -0.122 56.169 56.400 -0.182 0.000 0.870 571 E CB -0.350 29.161 29.700 -0.315 0.000 0.944 571 E HN 0.476 nan 8.360 nan 0.000 0.492 572 N N 0.729 119.389 118.700 -0.066 0.000 2.716 572 N HA -0.200 4.534 4.740 -0.011 0.000 0.250 572 N C -0.884 174.644 175.510 0.030 0.000 1.033 572 N CA 0.330 53.391 53.050 0.019 0.000 0.727 572 N CB -1.114 37.489 38.487 0.193 0.000 0.950 572 N HN 0.233 nan 8.380 nan 0.000 0.541 573 I N 0.800 121.319 120.570 -0.085 0.000 2.336 573 I HA 0.296 4.459 4.170 -0.011 0.000 0.292 573 I C 0.660 176.694 176.117 -0.137 0.000 0.991 573 I CA -0.819 60.452 61.300 -0.049 0.000 1.227 573 I CB 1.128 39.122 38.000 -0.010 0.000 1.366 573 I HN 0.038 nan 8.210 nan 0.000 0.466 574 I N 6.711 127.212 120.570 -0.115 0.000 2.533 574 I HA 0.061 4.224 4.170 -0.011 0.000 0.284 574 I C 0.080 176.154 176.117 -0.072 0.000 1.109 574 I CA 0.030 61.226 61.300 -0.173 0.000 1.412 574 I CB 1.005 38.916 38.000 -0.148 0.000 1.396 574 I HN 0.320 nan 8.210 nan 0.000 0.543 575 V N 7.447 127.303 119.914 -0.097 0.000 2.350 575 V HA 0.772 4.886 4.120 -0.011 0.000 0.285 575 V C 0.096 176.201 176.094 0.019 0.000 1.014 575 V CA -0.230 62.075 62.300 0.009 0.000 0.831 575 V CB 1.086 32.920 31.823 0.019 0.000 1.000 575 V HN 0.776 nan 8.190 nan 0.000 0.433 576 A N 5.089 127.947 122.820 0.064 0.000 2.303 576 A HA 0.911 5.224 4.320 -0.011 0.000 0.317 576 A C 0.139 177.885 177.584 0.271 0.000 1.149 576 A CA -0.450 51.628 52.037 0.068 0.000 0.822 576 A CB 1.410 20.279 19.000 -0.217 0.000 1.131 576 A HN 1.012 nan 8.150 nan 0.000 0.493 577 S N -0.023 115.884 115.700 0.345 0.000 2.542 577 S HA 0.768 5.231 4.470 -0.011 0.000 0.293 577 S C -1.306 173.656 174.600 0.604 0.000 1.089 577 S CA -0.295 58.153 58.200 0.414 0.000 0.961 577 S CB 1.282 64.669 63.200 0.312 0.000 1.062 577 S HN 0.737 nan 8.310 nan 0.000 0.483 578 F N 1.725 121.906 119.950 0.385 0.000 2.574 578 F HA 0.402 4.923 4.527 -0.011 0.000 0.313 578 F C -1.644 174.338 175.800 0.303 0.000 1.130 578 F CA -0.681 57.567 58.000 0.413 0.000 0.936 578 F CB 1.458 40.689 39.000 0.385 0.000 1.219 578 F HN 0.404 nan 8.300 nan 0.000 0.445 579 D N 5.092 125.282 120.400 -0.349 0.000 2.479 579 D HA 0.305 4.938 4.640 -0.011 0.000 0.218 579 D C 0.517 176.507 176.300 -0.517 0.000 1.131 579 D CA 0.147 53.995 54.000 -0.253 0.000 0.916 579 D CB 1.352 42.152 40.800 -0.000 0.000 1.022 579 D HN 0.760 nan 8.370 nan 0.000 0.515 580 G N 1.382 109.978 108.800 -0.339 0.000 2.582 580 G HA2 0.206 4.160 3.960 -0.011 0.000 0.232 580 G HA3 0.206 4.160 3.960 -0.011 0.000 0.232 580 G C 0.261 175.200 174.900 0.066 0.000 1.458 580 G CA -0.633 44.331 45.100 -0.225 0.000 1.062 580 G HN 0.283 nan 8.290 nan 0.000 0.566 581 R N -0.748 119.787 120.500 0.059 0.000 2.543 581 R HA 0.426 4.759 4.340 -0.011 0.000 0.277 581 R C 1.096 177.476 176.300 0.134 0.000 1.074 581 R CA 1.217 57.430 56.100 0.188 0.000 1.076 581 R CB 0.844 31.231 30.300 0.144 0.000 0.993 581 R HN 0.939 nan 8.270 nan 0.000 0.459 582 G N 1.014 109.875 108.800 0.101 0.000 2.376 582 G HA2 -0.327 3.626 3.960 -0.011 0.000 0.208 582 G HA3 -0.327 3.626 3.960 -0.011 0.000 0.208 582 G C 0.194 175.060 174.900 -0.057 0.000 1.032 582 G CA 0.026 45.145 45.100 0.032 0.000 0.641 582 G HN 0.739 nan 8.290 nan 0.000 0.503 583 S N 0.931 116.602 115.700 -0.047 0.000 2.580 583 S HA 0.577 5.040 4.470 -0.011 0.000 0.266 583 S C 0.887 175.412 174.600 -0.124 0.000 1.354 583 S CA 0.935 59.078 58.200 -0.095 0.000 1.008 583 S CB 1.368 64.551 63.200 -0.029 0.000 0.898 583 S HN 1.831 nan 8.310 nan 0.000 0.555 584 G N -0.644 108.041 108.800 -0.192 0.000 2.705 584 G HA2 0.507 4.460 3.960 -0.011 0.000 0.299 584 G HA3 0.507 4.460 3.960 -0.011 0.000 0.299 584 G C -0.823 173.931 174.900 -0.243 0.000 1.315 584 G CA -1.019 43.852 45.100 -0.382 0.000 1.045 584 G HN 1.057 nan 8.290 nan 0.000 0.517 585 Y N -2.102 118.191 120.300 -0.013 0.000 3.978 585 Y HA -0.242 4.301 4.550 -0.012 0.000 0.219 585 Y C 1.274 177.167 175.900 -0.010 0.000 1.153 585 Y CA 1.031 59.129 58.100 -0.003 0.000 1.718 585 Y CB -1.937 36.544 38.460 0.035 0.000 1.541 585 Y HN 0.492 nan 8.280 nan 0.000 0.640 586 Q N 0.096 119.907 119.800 0.019 0.000 2.089 586 Q HA 0.472 4.805 4.340 -0.011 0.000 0.248 586 Q C 0.859 176.760 176.000 -0.165 0.000 0.828 586 Q CA 0.132 55.951 55.803 0.027 0.000 1.102 586 Q CB 1.580 30.332 28.738 0.024 0.000 1.221 586 Q HN 0.573 nan 8.270 nan 0.000 0.455 587 G N 0.824 109.391 108.800 -0.390 0.000 2.699 587 G HA2 -0.188 3.765 3.960 -0.011 0.000 0.686 587 G HA3 -0.188 3.765 3.960 -0.011 0.000 0.686 587 G C -0.425 174.080 174.900 -0.657 0.000 1.301 587 G CA -0.594 43.949 45.100 -0.929 0.000 0.816 587 G HN 0.171 nan 8.290 nan 0.000 0.595 588 D N -0.015 119.960 120.400 -0.708 0.000 2.312 588 D HA -0.019 4.614 4.640 -0.011 0.000 0.211 588 D C 2.210 178.208 176.300 -0.503 0.000 0.964 588 D CA 1.162 54.721 54.000 -0.734 0.000 0.877 588 D CB 0.145 40.475 40.800 -0.783 0.000 0.924 588 D HN 0.435 nan 8.370 nan 0.000 0.515 589 K N 0.854 121.018 120.400 -0.393 0.000 2.097 589 K HA -0.005 4.308 4.320 -0.011 0.000 0.205 589 K C 1.855 178.361 176.600 -0.157 0.000 1.050 589 K CA 0.834 56.989 56.287 -0.221 0.000 0.938 589 K CB -0.271 32.124 32.500 -0.176 0.000 0.718 589 K HN 0.129 nan 8.250 nan 0.000 0.442 590 I N -0.322 120.138 120.570 -0.184 0.000 2.277 590 I HA -0.146 4.017 4.170 -0.011 0.000 0.243 590 I C 2.520 178.596 176.117 -0.069 0.000 1.094 590 I CA 0.960 62.214 61.300 -0.076 0.000 1.393 590 I CB -0.172 37.786 38.000 -0.069 0.000 1.078 590 I HN 0.230 nan 8.210 nan 0.000 0.417 591 M N 0.175 119.655 119.600 -0.200 0.000 2.099 591 M HA -0.210 4.263 4.480 -0.011 0.000 0.262 591 M C 2.098 178.361 176.300 -0.061 0.000 1.067 591 M CA 1.802 56.990 55.300 -0.186 0.000 1.124 591 M CB -0.259 32.128 32.600 -0.354 0.000 1.353 591 M HN 0.261 nan 8.290 nan 0.000 0.410 592 H N -0.141 118.796 119.070 -0.221 0.000 2.556 592 H HA 0.182 4.731 4.556 -0.011 0.000 0.268 592 H C 1.907 177.248 175.328 0.022 0.000 0.996 592 H CA 0.788 56.721 56.048 -0.191 0.000 1.157 592 H CB -0.665 28.910 29.762 -0.313 0.000 1.355 592 H HN 0.470 nan 8.280 nan 0.000 0.597 593 A N 1.400 124.317 122.820 0.163 0.000 1.948 593 A HA -0.161 4.152 4.320 -0.011 0.000 0.220 593 A C 2.178 179.990 177.584 0.380 0.000 1.177 593 A CA 1.688 53.861 52.037 0.227 0.000 0.636 593 A CB -0.796 18.303 19.000 0.165 0.000 0.815 593 A HN 0.528 nan 8.150 nan 0.000 0.449 594 I N -2.838 117.917 120.570 0.308 0.000 3.812 594 I HA 0.130 4.294 4.170 -0.011 0.000 0.320 594 I C 0.520 176.733 176.117 0.159 0.000 1.276 594 I CA -0.380 61.055 61.300 0.226 0.000 1.164 594 I CB -0.591 37.510 38.000 0.167 0.000 1.009 594 I HN 0.241 nan 8.210 nan 0.000 0.431 595 N N 2.954 121.798 118.700 0.240 0.000 2.357 595 N HA -0.106 4.627 4.740 -0.011 0.000 0.257 595 N C 0.349 175.907 175.510 0.079 0.000 1.250 595 N CA 0.474 53.668 53.050 0.241 0.000 0.862 595 N CB 0.328 38.919 38.487 0.174 0.000 1.066 595 N HN 0.428 nan 8.380 nan 0.000 0.468 596 R N 0.467 120.992 120.500 0.042 0.000 3.995 596 R HA -0.179 4.154 4.340 -0.011 0.000 0.445 596 R C -0.191 176.039 176.300 -0.117 0.000 0.997 596 R CA 1.272 57.351 56.100 -0.036 0.000 1.513 596 R CB -0.763 29.520 30.300 -0.027 0.000 2.145 596 R HN 0.681 nan 8.270 nan 0.000 0.533 597 R N 0.965 121.382 120.500 -0.138 0.000 3.135 597 R HA 0.221 4.555 4.340 -0.011 0.000 0.343 597 R C -0.526 175.796 176.300 0.036 0.000 1.227 597 R CA -0.575 55.353 56.100 -0.286 0.000 1.227 597 R CB 0.326 30.347 30.300 -0.465 0.000 1.436 597 R HN -0.090 nan 8.270 nan 0.000 0.595 598 L N 0.430 121.720 121.223 0.111 0.000 2.483 598 L HA 0.176 4.509 4.340 -0.011 0.000 0.276 598 L C 1.489 178.589 176.870 0.383 0.000 1.213 598 L CA 1.352 56.284 54.840 0.154 0.000 0.843 598 L CB 0.339 42.265 42.059 -0.222 0.000 1.107 598 L HN 0.802 nan 8.230 nan 0.000 0.487 599 G N 1.020 110.099 108.800 0.465 0.000 2.176 599 G HA2 -0.292 3.661 3.960 -0.011 0.000 0.252 599 G HA3 -0.292 3.661 3.960 -0.011 0.000 0.252 599 G C 0.507 175.503 174.900 0.160 0.000 1.024 599 G CA 0.936 46.237 45.100 0.335 0.000 0.755 599 G HN 0.944 nan 8.290 nan 0.000 0.507 600 T N -4.123 110.507 114.554 0.128 0.000 2.964 600 T HA 0.464 4.807 4.350 -0.011 0.000 0.161 600 T C 1.599 176.343 174.700 0.072 0.000 0.859 600 T CA 0.841 62.942 62.100 0.002 0.000 1.015 600 T CB 0.015 68.745 68.868 -0.231 0.000 2.138 600 T HN 0.180 nan 8.240 nan 0.000 0.367 601 F N 3.664 123.666 119.950 0.087 0.000 2.115 601 F HA -0.030 4.491 4.527 -0.011 0.000 0.300 601 F C 2.791 178.628 175.800 0.062 0.000 1.092 601 F CA 1.581 59.617 58.000 0.061 0.000 1.245 601 F CB -0.748 38.287 39.000 0.058 0.000 0.995 601 F HN 0.572 nan 8.300 nan 0.000 0.481 602 E N 0.628 120.996 120.200 0.280 0.000 2.204 602 E HA -0.111 4.232 4.350 -0.011 0.000 0.194 602 E C 2.141 178.847 176.600 0.176 0.000 0.989 602 E CA 1.317 57.845 56.400 0.213 0.000 0.824 602 E CB -1.075 28.756 29.700 0.219 0.000 0.756 602 E HN 0.290 nan 8.360 nan 0.000 0.477 603 V N 1.693 121.691 119.914 0.141 0.000 2.229 603 V HA -0.236 3.877 4.120 -0.011 0.000 0.243 603 V C 2.378 178.513 176.094 0.069 0.000 1.042 603 V CA 2.207 64.546 62.300 0.065 0.000 1.000 603 V CB -0.762 31.061 31.823 0.000 0.000 0.637 603 V HN 0.180 nan 8.190 nan 0.000 0.446 604 E N 0.231 120.485 120.200 0.090 0.000 2.114 604 E HA -0.284 4.059 4.350 -0.011 0.000 0.199 604 E C 1.907 178.527 176.600 0.034 0.000 1.008 604 E CA 1.876 58.321 56.400 0.075 0.000 0.810 604 E CB -0.232 29.546 29.700 0.129 0.000 0.739 604 E HN 0.603 nan 8.360 nan 0.000 0.456 605 D N -0.128 120.302 120.400 0.051 0.000 2.117 605 D HA -0.140 4.494 4.640 -0.011 0.000 0.198 605 D C 1.986 178.263 176.300 -0.039 0.000 0.982 605 D CA 0.785 54.782 54.000 -0.006 0.000 0.828 605 D CB -0.196 40.633 40.800 0.048 0.000 0.967 605 D HN 0.127 nan 8.370 nan 0.000 0.464 606 Q N 0.168 120.011 119.800 0.071 0.000 2.096 606 Q HA -0.092 4.241 4.340 -0.011 0.000 0.204 606 Q C 2.565 178.602 176.000 0.060 0.000 0.982 606 Q CA 0.679 56.532 55.803 0.083 0.000 0.850 606 Q CB -0.240 28.575 28.738 0.128 0.000 0.901 606 Q HN 0.440 nan 8.270 nan 0.000 0.422 607 I N 0.628 121.246 120.570 0.079 0.000 2.286 607 I HA -0.251 3.912 4.170 -0.011 0.000 0.248 607 I C 2.367 178.443 176.117 -0.069 0.000 1.115 607 I CA 0.996 62.376 61.300 0.132 0.000 1.392 607 I CB -0.200 37.860 38.000 0.101 0.000 1.065 607 I HN 0.126 nan 8.210 nan 0.000 0.418 608 E N 1.469 121.569 120.200 -0.168 0.000 2.051 608 E HA -0.186 4.157 4.350 -0.011 0.000 0.192 608 E C 2.198 178.487 176.600 -0.517 0.000 0.991 608 E CA 1.731 57.959 56.400 -0.286 0.000 0.799 608 E CB -0.285 29.259 29.700 -0.260 0.000 0.748 608 E HN 0.397 nan 8.360 nan 0.000 0.449 609 A N 0.746 123.082 122.820 -0.807 0.000 1.940 609 A HA -0.136 4.178 4.320 -0.011 0.000 0.219 609 A C 2.417 179.230 177.584 -1.285 0.000 1.176 609 A CA 2.318 53.526 52.037 -1.383 0.000 0.631 609 A CB -0.991 16.951 19.000 -1.763 0.000 0.814 609 A HN 0.360 nan 8.150 nan 0.000 0.446 610 A N -0.479 121.990 122.820 -0.586 0.000 1.902 610 A HA -0.161 4.152 4.320 -0.011 0.000 0.217 610 A C 2.254 179.632 177.584 -0.344 0.000 1.181 610 A CA 1.488 53.340 52.037 -0.308 0.000 0.623 610 A CB -0.458 18.397 19.000 -0.240 0.000 0.818 610 A HN 0.520 nan 8.150 nan 0.000 0.443 611 R N -0.725 119.567 120.500 -0.348 0.000 2.148 611 R HA -0.090 4.244 4.340 -0.011 0.000 0.227 611 R C 2.245 178.372 176.300 -0.288 0.000 1.103 611 R CA 1.239 57.174 56.100 -0.274 0.000 0.983 611 R CB -0.127 30.043 30.300 -0.216 0.000 0.874 611 R HN 0.633 nan 8.270 nan 0.000 0.451 612 Q N -0.417 119.131 119.800 -0.420 0.000 2.096 612 Q HA -0.065 4.268 4.340 -0.011 0.000 0.197 612 Q C 1.946 177.788 176.000 -0.263 0.000 0.964 612 Q CA 1.067 56.650 55.803 -0.367 0.000 0.838 612 Q CB -0.191 28.272 28.738 -0.458 0.000 0.906 612 Q HN 0.266 nan 8.270 nan 0.000 0.444 613 F N 1.946 121.722 119.950 -0.291 0.000 2.171 613 F HA -0.126 4.394 4.527 -0.012 0.000 0.300 613 F C 2.590 178.200 175.800 -0.316 0.000 1.090 613 F CA 1.284 59.112 58.000 -0.287 0.000 1.293 613 F CB -1.191 37.687 39.000 -0.203 0.000 1.013 613 F HN 0.090 nan 8.300 nan 0.000 0.486 614 S N -0.796 114.842 115.700 -0.104 0.000 2.562 614 S HA -0.066 4.398 4.470 -0.011 0.000 0.221 614 S C 1.670 176.158 174.600 -0.187 0.000 0.975 614 S CA 0.261 58.364 58.200 -0.161 0.000 0.918 614 S CB -0.434 62.672 63.200 -0.156 0.000 0.772 614 S HN 0.413 nan 8.310 nan 0.000 0.531 615 K N 0.227 120.515 120.400 -0.186 0.000 2.417 615 K HA 0.335 4.648 4.320 -0.011 0.000 0.196 615 K C 1.254 177.743 176.600 -0.186 0.000 1.023 615 K CA -0.035 56.154 56.287 -0.164 0.000 1.122 615 K CB -0.072 32.344 32.500 -0.140 0.000 0.850 615 K HN 0.430 nan 8.250 nan 0.000 0.521 616 M N -1.344 118.077 119.600 -0.299 0.000 2.510 616 M HA 0.082 4.555 4.480 -0.011 0.000 0.256 616 M C 1.137 177.158 176.300 -0.466 0.000 1.132 616 M CA 0.918 55.975 55.300 -0.405 0.000 1.105 616 M CB 0.813 33.033 32.600 -0.633 0.000 1.375 616 M HN 0.405 nan 8.290 nan 0.000 0.477 617 G N 0.914 109.461 108.800 -0.422 0.000 2.234 617 G HA2 -0.285 3.668 3.960 -0.011 0.000 0.235 617 G HA3 -0.285 3.668 3.960 -0.011 0.000 0.235 617 G C 0.468 175.291 174.900 -0.129 0.000 0.997 617 G CA 0.266 45.235 45.100 -0.218 0.000 0.623 617 G HN 0.586 nan 8.290 nan 0.000 0.514 618 F N 0.457 120.455 119.950 0.080 0.000 2.647 618 F HA 0.776 5.296 4.527 -0.012 0.000 0.300 618 F C 0.133 176.036 175.800 0.173 0.000 1.106 618 F CA -0.935 57.151 58.000 0.142 0.000 1.313 618 F CB 0.437 39.598 39.000 0.268 0.000 1.007 618 F HN 0.051 nan 8.300 nan 0.000 0.536 619 V N 1.479 121.402 119.914 0.015 0.000 2.384 619 V HA 0.160 4.273 4.120 -0.011 0.000 0.287 619 V C -0.625 175.448 176.094 -0.034 0.000 1.020 619 V CA -0.753 61.571 62.300 0.040 0.000 0.850 619 V CB 1.492 33.286 31.823 -0.048 0.000 0.987 619 V HN 0.105 nan 8.190 nan 0.000 0.436 620 D N 4.236 124.609 120.400 -0.045 0.000 2.416 620 D HA 0.005 4.638 4.640 -0.011 0.000 0.240 620 D C 1.189 177.419 176.300 -0.116 0.000 1.250 620 D CA -0.201 53.742 54.000 -0.096 0.000 0.967 620 D CB 0.351 41.073 40.800 -0.131 0.000 1.059 620 D HN 0.655 nan 8.370 nan 0.000 0.512 621 N N 2.680 121.317 118.700 -0.104 0.000 2.627 621 N HA -0.128 4.605 4.740 -0.011 0.000 0.196 621 N C 0.544 175.997 175.510 -0.095 0.000 1.268 621 N CA 0.519 53.501 53.050 -0.114 0.000 0.904 621 N CB -0.029 38.384 38.487 -0.123 0.000 1.016 621 N HN 0.353 nan 8.380 nan 0.000 0.448 622 K N -0.330 120.020 120.400 -0.082 0.000 2.367 622 K HA 0.207 4.520 4.320 -0.011 0.000 0.194 622 K C 0.057 176.637 176.600 -0.034 0.000 1.027 622 K CA 0.075 56.333 56.287 -0.047 0.000 1.075 622 K CB 0.596 33.073 32.500 -0.039 0.000 0.845 622 K HN 0.151 nan 8.250 nan 0.000 0.529 623 R N 1.323 121.749 120.500 -0.124 0.000 2.629 623 R HA 0.361 4.695 4.340 -0.011 0.000 0.277 623 R C -1.005 175.093 176.300 -0.337 0.000 1.637 623 R CA -0.134 55.805 56.100 -0.267 0.000 1.663 623 R CB 0.607 30.545 30.300 -0.603 0.000 1.228 623 R HN -0.015 nan 8.270 nan 0.000 0.632 624 I N 1.386 121.986 120.570 0.050 0.000 2.410 624 I HA 0.476 4.640 4.170 -0.011 0.000 0.286 624 I C -0.021 176.408 176.117 0.521 0.000 1.009 624 I CA -0.632 60.763 61.300 0.160 0.000 1.111 624 I CB 1.845 39.764 38.000 -0.134 0.000 1.262 624 I HN 0.335 nan 8.210 nan 0.000 0.443 625 A N 7.146 130.431 122.820 0.776 0.000 2.313 625 A HA 0.897 5.210 4.320 -0.011 0.000 0.323 625 A C -1.006 176.999 177.584 0.702 0.000 1.133 625 A CA -0.642 51.814 52.037 0.698 0.000 0.847 625 A CB 1.837 21.079 19.000 0.404 0.000 1.308 625 A HN 0.714 nan 8.150 nan 0.000 0.475 626 I N 0.457 121.299 120.570 0.453 0.000 2.686 626 I HA 0.723 4.886 4.170 -0.011 0.000 0.295 626 I C -1.739 174.620 176.117 0.402 0.000 1.114 626 I CA -0.631 60.821 61.300 0.253 0.000 1.038 626 I CB 1.664 39.422 38.000 -0.404 0.000 1.238 626 I HN 0.918 nan 8.210 nan 0.000 0.420 627 W N 7.005 128.427 121.300 0.203 0.000 3.137 627 W HA 0.818 5.471 4.660 -0.011 0.000 0.324 627 W C -1.374 175.293 176.519 0.247 0.000 1.253 627 W CA -0.714 56.768 57.345 0.227 0.000 1.183 627 W CB 0.921 30.568 29.460 0.312 0.000 1.424 627 W HN 0.851 nan 8.180 nan 0.000 0.566 628 G N 0.446 109.079 108.800 -0.278 0.000 2.441 628 G HA2 0.435 4.388 3.960 -0.011 0.000 0.294 628 G HA3 0.435 4.388 3.960 -0.011 0.000 0.294 628 G C -2.877 171.890 174.900 -0.221 0.000 1.393 628 G CA -0.791 43.940 45.100 -0.616 0.000 0.796 628 G HN 0.629 nan 8.290 nan 0.000 0.494 629 W N 0.897 121.998 121.300 -0.332 0.000 2.785 629 W HA 0.554 5.207 4.660 -0.011 0.000 0.333 629 W C 0.814 177.294 176.519 -0.065 0.000 1.062 629 W CA 0.467 57.710 57.345 -0.170 0.000 1.233 629 W CB 1.565 30.902 29.460 -0.206 0.000 1.413 629 W HN 1.299 nan 8.180 nan 0.000 0.489 630 S N 2.161 118.065 115.700 0.340 0.000 4.151 630 S HA -0.433 4.030 4.470 -0.011 0.000 0.603 630 S C 0.917 175.632 174.600 0.191 0.000 1.878 630 S CA 1.591 59.976 58.200 0.308 0.000 4.246 630 S CB -1.537 61.911 63.200 0.414 0.000 0.211 630 S HN 0.745 nan 8.310 nan 0.000 0.469 631 Y N 3.092 123.484 120.300 0.154 0.000 2.165 631 Y HA -0.050 4.493 4.550 -0.011 0.000 0.286 631 Y C 2.606 178.701 175.900 0.326 0.000 1.155 631 Y CA 2.263 60.543 58.100 0.301 0.000 1.164 631 Y CB -1.004 37.748 38.460 0.487 0.000 0.978 631 Y HN 0.587 nan 8.280 nan 0.000 0.513 632 G N -0.863 108.222 108.800 0.476 0.000 2.469 632 G HA2 -0.294 3.659 3.960 -0.011 0.000 0.220 632 G HA3 -0.294 3.659 3.960 -0.011 0.000 0.220 632 G C 1.838 176.823 174.900 0.142 0.000 1.136 632 G CA 0.881 46.151 45.100 0.282 0.000 0.759 632 G HN 0.576 nan 8.290 nan 0.000 0.562 633 G N -0.558 108.314 108.800 0.120 0.000 2.421 633 G HA2 -0.157 3.796 3.960 -0.011 0.000 0.217 633 G HA3 -0.157 3.796 3.960 -0.011 0.000 0.217 633 G C 1.519 176.478 174.900 0.100 0.000 1.143 633 G CA 0.890 46.037 45.100 0.079 0.000 0.784 633 G HN 0.505 nan 8.290 nan 0.000 0.541 634 Y N 0.985 121.236 120.300 -0.081 0.000 2.114 634 Y HA -0.176 4.367 4.550 -0.011 0.000 0.284 634 Y C 2.788 178.634 175.900 -0.091 0.000 1.143 634 Y CA 1.674 59.665 58.100 -0.182 0.000 1.135 634 Y CB -0.090 38.113 38.460 -0.428 0.000 0.980 634 Y HN 0.038 nan 8.280 nan 0.000 0.499 635 V N -0.132 119.704 119.914 -0.130 0.000 2.343 635 V HA -0.308 3.805 4.120 -0.011 0.000 0.247 635 V C 2.274 178.276 176.094 -0.154 0.000 1.051 635 V CA 2.310 64.501 62.300 -0.180 0.000 1.036 635 V CB -1.078 30.803 31.823 0.096 0.000 0.654 635 V HN 0.506 nan 8.190 nan 0.000 0.451 636 T N 0.174 114.693 114.554 -0.058 0.000 2.635 636 T HA -0.220 4.123 4.350 -0.011 0.000 0.267 636 T C 2.143 176.788 174.700 -0.093 0.000 1.040 636 T CA 2.130 64.195 62.100 -0.059 0.000 1.156 636 T CB -0.337 68.575 68.868 0.072 0.000 0.863 636 T HN 0.543 nan 8.240 nan 0.000 0.430 637 S N 1.157 116.845 115.700 -0.020 0.000 2.370 637 S HA -0.081 4.383 4.470 -0.011 0.000 0.226 637 S C 2.148 176.669 174.600 -0.132 0.000 1.033 637 S CA 1.057 59.254 58.200 -0.005 0.000 1.011 637 S CB -0.332 62.932 63.200 0.107 0.000 0.852 637 S HN 0.305 nan 8.310 nan 0.000 0.457 638 M N 0.917 120.355 119.600 -0.270 0.000 2.086 638 M HA -0.036 4.437 4.480 -0.011 0.000 0.261 638 M C 2.295 178.439 176.300 -0.260 0.000 1.067 638 M CA 1.129 56.247 55.300 -0.304 0.000 1.116 638 M CB -1.572 30.742 32.600 -0.477 0.000 1.348 638 M HN 0.179 nan 8.290 nan 0.000 0.407 639 V N 0.906 120.665 119.914 -0.258 0.000 2.233 639 V HA -0.284 3.829 4.120 -0.011 0.000 0.247 639 V C 2.613 178.530 176.094 -0.295 0.000 1.050 639 V CA 1.680 63.832 62.300 -0.247 0.000 1.010 639 V CB -0.775 30.846 31.823 -0.337 0.000 0.637 639 V HN 0.410 nan 8.190 nan 0.000 0.444 640 L N 0.354 121.336 121.223 -0.401 0.000 2.081 640 L HA -0.148 4.185 4.340 -0.011 0.000 0.212 640 L C 2.025 178.429 176.870 -0.776 0.000 1.080 640 L CA 1.709 56.239 54.840 -0.516 0.000 0.754 640 L CB -0.764 40.934 42.059 -0.601 0.000 0.893 640 L HN 0.519 nan 8.230 nan 0.000 0.433 641 G N -1.680 106.558 108.800 -0.938 0.000 3.591 641 G HA2 0.090 4.043 3.960 -0.011 0.000 0.282 641 G HA3 0.090 4.043 3.960 -0.011 0.000 0.282 641 G C 1.137 175.852 174.900 -0.308 0.000 1.238 641 G CA 0.491 45.117 45.100 -0.791 0.000 0.993 641 G HN 0.395 nan 8.290 nan 0.000 0.542 642 S N -1.134 114.424 115.700 -0.237 0.000 2.535 642 S HA 0.327 4.791 4.470 -0.011 0.000 0.214 642 S C 1.868 176.425 174.600 -0.072 0.000 0.980 642 S CA 0.924 59.053 58.200 -0.118 0.000 0.907 642 S CB 0.085 63.234 63.200 -0.084 0.000 0.790 642 S HN 1.339 nan 8.310 nan 0.000 0.510 643 G N 1.763 110.513 108.800 -0.083 0.000 2.179 643 G HA2 -0.371 3.583 3.960 -0.011 0.000 0.257 643 G HA3 -0.371 3.583 3.960 -0.011 0.000 0.257 643 G C 1.028 175.917 174.900 -0.018 0.000 1.010 643 G CA 1.067 46.141 45.100 -0.042 0.000 0.736 643 G HN 1.228 nan 8.290 nan 0.000 0.513 644 S N -0.759 114.938 115.700 -0.004 0.000 2.355 644 S HA 0.277 4.741 4.470 -0.011 0.000 0.222 644 S C 2.526 177.130 174.600 0.005 0.000 1.031 644 S CA 2.167 60.377 58.200 0.017 0.000 0.993 644 S CB -0.267 62.975 63.200 0.069 0.000 0.859 644 S HN 2.447 nan 8.310 nan 0.000 0.453 645 G N -0.570 108.241 108.800 0.018 0.000 2.213 645 G HA2 -0.243 3.710 3.960 -0.011 0.000 0.226 645 G HA3 -0.243 3.710 3.960 -0.011 0.000 0.226 645 G C 0.820 175.700 174.900 -0.032 0.000 0.992 645 G CA 0.307 45.406 45.100 -0.002 0.000 0.632 645 G HN 0.790 nan 8.290 nan 0.000 0.511 646 V N -0.013 119.864 119.914 -0.062 0.000 2.719 646 V HA 0.299 4.412 4.120 -0.011 0.000 0.252 646 V C 1.034 176.877 176.094 -0.419 0.000 1.065 646 V CA 1.302 63.429 62.300 -0.287 0.000 1.086 646 V CB -0.385 31.159 31.823 -0.465 0.000 0.700 646 V HN 0.290 nan 8.190 nan 0.000 0.467 647 F N -0.093 119.874 119.950 0.028 0.000 2.444 647 F HA 0.413 4.933 4.527 -0.012 0.000 0.342 647 F C 1.078 176.929 175.800 0.085 0.000 1.121 647 F CA -0.566 57.479 58.000 0.075 0.000 0.997 647 F CB 1.638 40.683 39.000 0.075 0.000 1.130 647 F HN -0.272 nan 8.300 nan 0.000 0.454 648 K N 1.897 122.473 120.400 0.292 0.000 2.021 648 K HA 0.033 4.346 4.320 -0.011 0.000 0.205 648 K C 0.190 176.938 176.600 0.247 0.000 1.047 648 K CA 1.180 57.604 56.287 0.228 0.000 0.943 648 K CB 0.209 32.854 32.500 0.243 0.000 0.725 648 K HN 0.801 nan 8.250 nan 0.000 0.439 649 c N -2.835 115.953 118.600 0.312 0.000 3.318 649 c HA 0.927 5.490 4.570 -0.011 0.000 0.329 649 c C -0.181 174.158 174.090 0.414 0.000 1.449 649 c CA -0.526 56.008 56.329 0.341 0.000 1.397 649 c CB 1.096 43.733 42.510 0.211 0.000 1.810 649 c HN 0.426 nan 8.230 nan 0.000 0.449 650 G N -0.091 109.030 108.800 0.535 0.000 2.616 650 G HA2 0.617 4.571 3.960 -0.011 0.000 0.294 650 G HA3 0.617 4.571 3.960 -0.011 0.000 0.294 650 G C -1.908 173.255 174.900 0.438 0.000 1.489 650 G CA -0.653 44.730 45.100 0.471 0.000 0.836 650 G HN 0.960 nan 8.290 nan 0.000 0.527 651 I N 0.968 121.763 120.570 0.375 0.000 2.406 651 I HA 0.633 4.796 4.170 -0.011 0.000 0.290 651 I C 0.292 176.567 176.117 0.263 0.000 0.999 651 I CA -0.957 60.444 61.300 0.168 0.000 1.124 651 I CB 2.156 40.223 38.000 0.112 0.000 1.289 651 I HN 0.644 nan 8.210 nan 0.000 0.441 652 A N 6.647 129.508 122.820 0.069 0.000 2.310 652 A HA 0.718 5.031 4.320 -0.011 0.000 0.304 652 A C -0.756 176.755 177.584 -0.123 0.000 1.231 652 A CA -0.487 51.593 52.037 0.072 0.000 0.799 652 A CB 1.013 20.138 19.000 0.208 0.000 1.162 652 A HN 0.446 nan 8.150 nan 0.000 0.486 653 V N 2.154 121.932 119.914 -0.226 0.000 2.370 653 V HA 0.569 4.682 4.120 -0.011 0.000 0.283 653 V C 0.947 176.631 176.094 -0.683 0.000 1.023 653 V CA 0.324 62.250 62.300 -0.623 0.000 0.857 653 V CB 0.680 31.777 31.823 -1.211 0.000 0.985 653 V HN 2.084 nan 8.190 nan 0.000 0.443 654 A N 5.679 128.120 122.820 -0.631 0.000 2.362 654 A HA -0.100 4.213 4.320 -0.011 0.000 0.290 654 A C -2.366 175.107 177.584 -0.185 0.000 1.441 654 A CA 0.033 51.634 52.037 -0.727 0.000 0.743 654 A CB -1.598 17.080 19.000 -0.537 0.000 1.125 654 A HN 0.608 nan 8.150 nan 0.000 0.378 655 P HA 0.456 nan 4.420 nan 0.000 0.282 655 P C 0.160 177.434 177.300 -0.043 0.000 1.249 655 P CA -0.424 62.678 63.100 0.004 0.000 0.806 655 P CB 1.211 32.936 31.700 0.042 0.000 0.984 656 V N 2.436 122.208 119.914 -0.237 0.000 2.637 656 V HA 0.053 4.167 4.120 -0.011 0.000 0.296 656 V C 1.560 177.420 176.094 -0.389 0.000 1.046 656 V CA 1.140 63.129 62.300 -0.519 0.000 1.066 656 V CB 0.530 31.609 31.823 -1.240 0.000 0.968 656 V HN 0.806 nan 8.190 nan 0.000 0.483 657 S N 4.150 119.666 115.700 -0.306 0.000 2.524 657 S HA 0.293 4.757 4.470 -0.011 0.000 0.222 657 S C 0.571 174.982 174.600 -0.314 0.000 1.040 657 S CA -0.348 57.749 58.200 -0.171 0.000 0.915 657 S CB 0.339 63.506 63.200 -0.055 0.000 0.831 657 S HN 0.714 nan 8.310 nan 0.000 0.492 658 R N -0.947 119.223 120.500 -0.550 0.000 2.560 658 R HA 0.317 4.650 4.340 -0.011 0.000 0.267 658 R C -1.250 174.704 176.300 -0.577 0.000 1.150 658 R CA -0.638 55.101 56.100 -0.601 0.000 0.997 658 R CB 0.303 30.132 30.300 -0.784 0.000 1.250 658 R HN 0.231 nan 8.270 nan 0.000 0.433 659 W N 1.963 123.149 121.300 -0.190 0.000 2.467 659 W HA 0.008 4.662 4.660 -0.011 0.000 0.275 659 W C 1.272 177.908 176.519 0.196 0.000 1.239 659 W CA 0.460 57.796 57.345 -0.015 0.000 1.266 659 W CB 0.390 29.774 29.460 -0.126 0.000 1.112 659 W HN 0.708 nan 8.180 nan 0.000 0.576 660 E N -0.749 119.626 120.200 0.292 0.000 2.333 660 E HA -0.205 4.138 4.350 -0.011 0.000 0.198 660 E C 1.343 178.123 176.600 0.300 0.000 1.007 660 E CA 1.063 57.591 56.400 0.213 0.000 0.845 660 E CB -0.418 29.306 29.700 0.039 0.000 0.766 660 E HN 0.358 nan 8.360 nan 0.000 0.507 661 Y N -1.449 118.959 120.300 0.179 0.000 2.475 661 Y HA 0.076 4.619 4.550 -0.011 0.000 0.289 661 Y C 0.734 176.757 175.900 0.204 0.000 1.121 661 Y CA -0.386 57.791 58.100 0.130 0.000 1.257 661 Y CB -0.535 37.940 38.460 0.025 0.000 1.026 661 Y HN 0.030 nan 8.280 nan 0.000 0.555 662 Y N 2.086 122.561 120.300 0.291 0.000 2.334 662 Y HA 0.259 4.802 4.550 -0.011 0.000 0.325 662 Y C 0.333 176.457 175.900 0.374 0.000 1.308 662 Y CA -2.035 56.239 58.100 0.291 0.000 1.389 662 Y CB 0.321 38.974 38.460 0.322 0.000 1.328 662 Y HN 0.195 nan 8.280 nan 0.000 0.532 663 D N -0.358 119.762 120.400 -0.466 0.000 2.423 663 D HA 0.066 4.700 4.640 -0.011 0.000 0.238 663 D C 0.957 177.222 176.300 -0.059 0.000 1.142 663 D CA 0.426 54.185 54.000 -0.401 0.000 0.884 663 D CB 0.880 41.269 40.800 -0.685 0.000 1.199 663 D HN 0.483 nan 8.370 nan 0.000 0.438 664 S N 1.397 117.071 115.700 -0.043 0.000 2.356 664 S HA -0.219 4.244 4.470 -0.011 0.000 0.223 664 S C 1.869 176.487 174.600 0.031 0.000 1.032 664 S CA 1.095 59.328 58.200 0.056 0.000 1.005 664 S CB -0.909 62.329 63.200 0.062 0.000 0.867 664 S HN 0.428 nan 8.310 nan 0.000 0.449 665 V N 0.929 120.800 119.914 -0.071 0.000 2.255 665 V HA -0.171 3.942 4.120 -0.011 0.000 0.247 665 V C 2.290 178.287 176.094 -0.161 0.000 1.051 665 V CA 2.261 64.433 62.300 -0.213 0.000 1.018 665 V CB -1.049 30.495 31.823 -0.466 0.000 0.641 665 V HN 0.627 nan 8.190 nan 0.000 0.445 666 Y N 1.198 121.423 120.300 -0.125 0.000 2.109 666 Y HA -0.247 4.296 4.550 -0.011 0.000 0.285 666 Y C 2.757 178.586 175.900 -0.117 0.000 1.131 666 Y CA 2.437 60.511 58.100 -0.043 0.000 1.121 666 Y CB -0.638 38.010 38.460 0.313 0.000 0.987 666 Y HN 0.221 nan 8.280 nan 0.000 0.495 667 T N 0.575 115.335 114.554 0.343 0.000 2.607 667 T HA -0.251 4.092 4.350 -0.011 0.000 0.267 667 T C 1.522 176.163 174.700 -0.099 0.000 1.049 667 T CA 2.124 64.343 62.100 0.199 0.000 1.162 667 T CB -0.418 68.721 68.868 0.452 0.000 0.863 667 T HN 0.471 nan 8.240 nan 0.000 0.424 668 E N 0.446 120.627 120.200 -0.032 0.000 2.268 668 E HA -0.079 4.264 4.350 -0.011 0.000 0.195 668 E C 2.325 178.787 176.600 -0.230 0.000 0.995 668 E CA 0.366 56.740 56.400 -0.043 0.000 0.836 668 E CB -0.142 29.591 29.700 0.055 0.000 0.763 668 E HN 0.334 nan 8.360 nan 0.000 0.491 669 R N 0.094 120.287 120.500 -0.511 0.000 2.127 669 R HA -0.193 4.141 4.340 -0.011 0.000 0.238 669 R C 1.000 176.717 176.300 -0.972 0.000 1.134 669 R CA 1.562 57.156 56.100 -0.845 0.000 0.975 669 R CB 0.061 29.509 30.300 -1.420 0.000 0.865 669 R HN 0.275 nan 8.270 nan 0.000 0.447 670 Y N -2.853 117.122 120.300 -0.541 0.000 2.483 670 Y HA 0.239 4.782 4.550 -0.012 0.000 0.258 670 Y C 1.670 177.377 175.900 -0.320 0.000 1.083 670 Y CA -0.186 57.601 58.100 -0.521 0.000 1.283 670 Y CB 0.387 38.411 38.460 -0.727 0.000 1.178 670 Y HN -0.079 nan 8.280 nan 0.000 0.515 671 M N -0.264 119.216 119.600 -0.202 0.000 2.367 671 M HA 0.362 4.835 4.480 -0.011 0.000 0.256 671 M C 1.114 177.418 176.300 0.006 0.000 1.091 671 M CA 0.878 56.045 55.300 -0.223 0.000 1.049 671 M CB -0.363 31.880 32.600 -0.594 0.000 1.406 671 M HN 0.371 nan 8.290 nan 0.000 0.498 672 G N 1.724 110.550 108.800 0.043 0.000 2.645 672 G HA2 -0.219 3.735 3.960 -0.011 0.000 0.246 672 G HA3 -0.219 3.735 3.960 -0.011 0.000 0.246 672 G C -0.744 174.299 174.900 0.238 0.000 1.322 672 G CA -0.775 44.393 45.100 0.114 0.000 0.898 672 G HN 0.250 nan 8.290 nan 0.000 0.573 673 L N 2.218 123.542 121.223 0.169 0.000 2.334 673 L HA 0.520 4.853 4.340 -0.011 0.000 0.277 673 L C -1.399 175.465 176.870 -0.010 0.000 1.075 673 L CA -1.852 53.040 54.840 0.087 0.000 0.804 673 L CB 1.217 43.289 42.059 0.023 0.000 1.174 673 L HN 0.390 nan 8.230 nan 0.000 0.438 674 P HA 0.111 nan 4.420 nan 0.000 0.225 674 P C -0.654 176.487 177.300 -0.265 0.000 1.768 674 P CA -0.155 62.506 63.100 -0.732 0.000 0.943 674 P CB -0.527 30.457 31.700 -1.192 0.000 1.936 675 T N -3.381 111.109 114.554 -0.107 0.000 2.924 675 T HA 0.503 4.846 4.350 -0.011 0.000 0.291 675 T C -2.281 172.414 174.700 -0.008 0.000 1.045 675 T CA -2.511 59.559 62.100 -0.049 0.000 1.015 675 T CB 1.868 70.718 68.868 -0.029 0.000 1.103 675 T HN -0.292 nan 8.240 nan 0.000 0.496 676 P HA -0.047 nan 4.420 nan 0.000 0.218 676 P C 0.758 178.070 177.300 0.020 0.000 1.149 676 P CA 0.878 63.987 63.100 0.014 0.000 0.817 676 P CB 0.059 31.764 31.700 0.009 0.000 0.785 677 E N -0.733 119.475 120.200 0.013 0.000 2.354 677 E HA 0.170 4.513 4.350 -0.011 0.000 0.252 677 E C -0.133 176.480 176.600 0.022 0.000 1.330 677 E CA 0.067 56.476 56.400 0.015 0.000 1.658 677 E CB -0.230 29.474 29.700 0.008 0.000 1.460 677 E HN 0.168 nan 8.360 nan 0.000 0.435 678 D N 0.491 120.912 120.400 0.036 0.000 2.938 678 D HA 0.021 4.655 4.640 -0.011 0.000 0.089 678 D C -0.456 175.896 176.300 0.086 0.000 1.496 678 D CA -0.267 53.765 54.000 0.055 0.000 1.254 678 D CB -0.185 40.648 40.800 0.056 0.000 2.556 678 D HN 0.114 nan 8.370 nan 0.000 0.265 679 N N 0.702 119.488 118.700 0.142 0.000 2.365 679 N HA 0.150 4.883 4.740 -0.011 0.000 0.257 679 N C 1.016 176.716 175.510 0.318 0.000 1.287 679 N CA -0.047 53.135 53.050 0.219 0.000 0.882 679 N CB 0.335 38.973 38.487 0.252 0.000 1.250 679 N HN 0.151 nan 8.380 nan 0.000 0.507 680 L N 0.481 121.809 121.223 0.176 0.000 2.042 680 L HA -0.125 4.208 4.340 -0.011 0.000 0.210 680 L C 1.301 178.283 176.870 0.186 0.000 1.076 680 L CA 1.994 56.912 54.840 0.129 0.000 0.749 680 L CB -0.294 41.785 42.059 0.032 0.000 0.893 680 L HN 0.211 nan 8.230 nan 0.000 0.432 681 D N -1.658 118.836 120.400 0.157 0.000 2.123 681 D HA -0.270 4.363 4.640 -0.011 0.000 0.196 681 D C 1.940 178.351 176.300 0.185 0.000 0.992 681 D CA 1.874 55.960 54.000 0.142 0.000 0.833 681 D CB -0.238 40.629 40.800 0.113 0.000 0.954 681 D HN 0.556 nan 8.370 nan 0.000 0.455 682 H N -0.376 118.764 119.070 0.115 0.000 2.395 682 H HA -0.070 4.479 4.556 -0.011 0.000 0.299 682 H C 1.747 177.141 175.328 0.110 0.000 1.070 682 H CA 1.114 57.207 56.048 0.075 0.000 1.356 682 H CB -0.313 29.455 29.762 0.010 0.000 1.401 682 H HN 0.111 nan 8.280 nan 0.000 0.524 683 Y N 0.464 120.782 120.300 0.030 0.000 2.069 683 Y HA -0.281 4.263 4.550 -0.011 0.000 0.278 683 Y C 2.609 178.497 175.900 -0.020 0.000 1.175 683 Y CA 1.818 59.935 58.100 0.029 0.000 1.134 683 Y CB -0.019 38.476 38.460 0.057 0.000 0.965 683 Y HN 0.117 nan 8.280 nan 0.000 0.498 684 R N -0.090 120.510 120.500 0.167 0.000 2.081 684 R HA -0.138 4.195 4.340 -0.011 0.000 0.235 684 R C 1.617 177.929 176.300 0.021 0.000 1.131 684 R CA 1.125 57.268 56.100 0.072 0.000 0.960 684 R CB -1.126 29.214 30.300 0.067 0.000 0.856 684 R HN 0.434 nan 8.270 nan 0.000 0.436 685 N N 1.004 119.705 118.700 0.002 0.000 2.521 685 N HA -0.054 4.679 4.740 -0.011 0.000 0.188 685 N C -0.052 175.399 175.510 -0.099 0.000 1.146 685 N CA 0.603 53.643 53.050 -0.017 0.000 0.893 685 N CB 0.293 38.817 38.487 0.062 0.000 0.975 685 N HN 0.155 nan 8.380 nan 0.000 0.451 686 S N -0.977 114.638 115.700 -0.143 0.000 2.809 686 S HA 0.095 4.558 4.470 -0.011 0.000 0.248 686 S C 0.310 174.952 174.600 0.071 0.000 1.071 686 S CA -0.817 57.329 58.200 -0.090 0.000 1.059 686 S CB -0.010 63.031 63.200 -0.264 0.000 0.923 686 S HN 0.114 nan 8.310 nan 0.000 0.516 687 T N -1.236 113.326 114.554 0.013 0.000 2.902 687 T HA 0.553 4.896 4.350 -0.011 0.000 0.280 687 T C 1.464 176.176 174.700 0.021 0.000 0.992 687 T CA -0.120 61.975 62.100 -0.007 0.000 1.015 687 T CB 1.367 70.202 68.868 -0.055 0.000 1.044 687 T HN 0.630 nan 8.240 nan 0.000 0.520 688 V N 0.047 119.970 119.914 0.014 0.000 2.649 688 V HA 0.037 4.150 4.120 -0.011 0.000 0.248 688 V C 2.297 178.385 176.094 -0.009 0.000 1.054 688 V CA 0.961 63.270 62.300 0.014 0.000 1.073 688 V CB -1.179 30.650 31.823 0.010 0.000 0.699 688 V HN 0.784 nan 8.190 nan 0.000 0.463 689 M N 2.703 122.272 119.600 -0.052 0.000 2.106 689 M HA -0.158 4.315 4.480 -0.011 0.000 0.259 689 M C 2.485 178.768 176.300 -0.028 0.000 1.068 689 M CA 2.582 57.842 55.300 -0.067 0.000 1.100 689 M CB -0.939 31.627 32.600 -0.055 0.000 1.351 689 M HN 0.741 nan 8.290 nan 0.000 0.404 690 S N -0.106 115.589 115.700 -0.009 0.000 2.469 690 S HA -0.122 4.341 4.470 -0.011 0.000 0.238 690 S C 1.606 176.222 174.600 0.026 0.000 0.998 690 S CA 0.864 59.067 58.200 0.006 0.000 0.957 690 S CB -0.546 62.658 63.200 0.005 0.000 0.764 690 S HN 0.562 nan 8.310 nan 0.000 0.514 691 R N 0.424 120.954 120.500 0.051 0.000 2.552 691 R HA 0.488 4.821 4.340 -0.011 0.000 0.314 691 R C 1.853 178.282 176.300 0.215 0.000 1.041 691 R CA 0.397 56.553 56.100 0.094 0.000 1.076 691 R CB -0.069 30.275 30.300 0.073 0.000 1.290 691 R HN 0.445 nan 8.270 nan 0.000 0.563 692 A N 1.467 124.358 122.820 0.118 0.000 1.978 692 A HA -0.247 4.067 4.320 -0.011 0.000 0.220 692 A C 2.071 179.762 177.584 0.178 0.000 1.170 692 A CA 1.707 53.782 52.037 0.062 0.000 0.636 692 A CB -0.160 18.788 19.000 -0.086 0.000 0.810 692 A HN 0.300 nan 8.150 nan 0.000 0.448 693 E N 0.830 121.103 120.200 0.122 0.000 2.110 693 E HA -0.177 4.166 4.350 -0.011 0.000 0.193 693 E C 1.619 178.292 176.600 0.122 0.000 0.988 693 E CA 1.625 58.086 56.400 0.102 0.000 0.804 693 E CB -0.258 29.479 29.700 0.061 0.000 0.745 693 E HN 0.584 nan 8.360 nan 0.000 0.458 694 N N -0.406 118.360 118.700 0.110 0.000 2.520 694 N HA -0.104 4.629 4.740 -0.011 0.000 0.185 694 N C 0.930 176.427 175.510 -0.021 0.000 1.068 694 N CA 0.522 53.581 53.050 0.016 0.000 0.911 694 N CB -0.193 38.251 38.487 -0.072 0.000 0.961 694 N HN 0.232 nan 8.380 nan 0.000 0.446 695 F N 1.583 121.505 119.950 -0.047 0.000 2.494 695 F HA -0.014 4.506 4.527 -0.011 0.000 0.298 695 F C 1.925 177.748 175.800 0.038 0.000 1.106 695 F CA 0.736 58.709 58.000 -0.044 0.000 1.452 695 F CB -0.061 38.880 39.000 -0.098 0.000 1.085 695 F HN -0.069 nan 8.300 nan 0.000 0.569 696 K N -0.019 120.495 120.400 0.190 0.000 2.519 696 K HA -0.158 4.155 4.320 -0.011 0.000 0.196 696 K C 1.264 177.925 176.600 0.101 0.000 1.041 696 K CA 0.797 57.169 56.287 0.142 0.000 0.954 696 K CB -0.215 32.349 32.500 0.106 0.000 0.774 696 K HN 0.447 nan 8.250 nan 0.000 0.480 697 Q N 0.139 119.978 119.800 0.065 0.000 2.282 697 Q HA 0.065 4.398 4.340 -0.011 0.000 0.206 697 Q C 0.057 176.090 176.000 0.055 0.000 0.878 697 Q CA -0.173 55.654 55.803 0.039 0.000 0.944 697 Q CB 0.999 29.736 28.738 -0.002 0.000 1.100 697 Q HN 0.127 nan 8.270 nan 0.000 0.509 698 V N -3.462 116.506 119.914 0.090 0.000 3.182 698 V HA 0.567 4.680 4.120 -0.011 0.000 0.308 698 V C -1.465 174.770 176.094 0.235 0.000 1.240 698 V CA -1.300 61.085 62.300 0.141 0.000 1.063 698 V CB 2.498 34.377 31.823 0.094 0.000 1.076 698 V HN -0.177 nan 8.190 nan 0.000 0.446 699 E N 1.076 121.448 120.200 0.287 0.000 2.197 699 E HA 0.598 4.942 4.350 -0.011 0.000 0.281 699 E C -1.783 175.193 176.600 0.626 0.000 0.995 699 E CA -0.274 56.370 56.400 0.406 0.000 0.808 699 E CB 1.450 31.324 29.700 0.290 0.000 1.093 699 E HN 0.700 nan 8.360 nan 0.000 0.394 700 Y N 3.899 124.474 120.300 0.459 0.000 2.391 700 Y HA 0.527 5.070 4.550 -0.011 0.000 0.341 700 Y C -1.846 174.142 175.900 0.146 0.000 0.965 700 Y CA -1.591 56.720 58.100 0.352 0.000 1.067 700 Y CB 1.028 39.737 38.460 0.415 0.000 1.199 700 Y HN 0.447 nan 8.280 nan 0.000 0.450 701 L N 7.893 128.851 121.223 -0.441 0.000 2.325 701 L HA 0.637 4.970 4.340 -0.011 0.000 0.281 701 L C -2.154 174.297 176.870 -0.698 0.000 1.004 701 L CA -0.769 53.638 54.840 -0.721 0.000 0.823 701 L CB 1.358 42.617 42.059 -1.332 0.000 1.236 701 L HN 0.627 nan 8.230 nan 0.000 0.415 702 L N 6.768 127.656 121.223 -0.560 0.000 2.319 702 L HA 0.690 5.023 4.340 -0.011 0.000 0.281 702 L C -1.297 175.447 176.870 -0.209 0.000 1.005 702 L CA -0.041 54.511 54.840 -0.479 0.000 0.828 702 L CB 1.113 42.861 42.059 -0.519 0.000 1.227 702 L HN 0.588 nan 8.230 nan 0.000 0.415 703 I N 4.576 125.033 120.570 -0.187 0.000 2.433 703 I HA 0.450 4.613 4.170 -0.011 0.000 0.292 703 I C -1.023 175.069 176.117 -0.042 0.000 1.001 703 I CA -0.632 60.609 61.300 -0.097 0.000 1.119 703 I CB 1.745 39.651 38.000 -0.156 0.000 1.289 703 I HN 0.670 nan 8.210 nan 0.000 0.438 704 H N 2.870 121.994 119.070 0.090 0.000 2.966 704 H HA 0.474 5.023 4.556 -0.011 0.000 0.347 704 H C -0.120 175.459 175.328 0.419 0.000 1.048 704 H CA -0.519 55.645 56.048 0.193 0.000 1.295 704 H CB 1.895 31.709 29.762 0.086 0.000 1.744 704 H HN 0.764 nan 8.280 nan 0.000 0.513 705 G N 1.415 110.508 108.800 0.489 0.000 2.406 705 G HA2 0.146 4.099 3.960 -0.011 0.000 0.251 705 G HA3 0.146 4.099 3.960 -0.011 0.000 0.251 705 G C 1.159 176.325 174.900 0.445 0.000 1.271 705 G CA 0.174 45.543 45.100 0.448 0.000 0.859 705 G HN 0.765 nan 8.290 nan 0.000 0.540 706 T N -0.666 113.997 114.554 0.183 0.000 3.023 706 T HA 0.119 4.462 4.350 -0.011 0.000 0.266 706 T C 1.742 176.398 174.700 -0.073 0.000 1.093 706 T CA 1.165 63.183 62.100 -0.137 0.000 1.129 706 T CB 0.192 68.904 68.868 -0.261 0.000 0.899 706 T HN 0.676 nan 8.240 nan 0.000 0.491 707 A N 1.146 123.992 122.820 0.043 0.000 2.684 707 A HA 0.296 4.609 4.320 -0.011 0.000 0.288 707 A C 0.407 177.941 177.584 -0.083 0.000 1.337 707 A CA -0.502 51.550 52.037 0.026 0.000 0.946 707 A CB -0.368 18.862 19.000 0.383 0.000 1.093 707 A HN 0.387 nan 8.150 nan 0.000 0.543 708 D N 1.329 121.683 120.400 -0.078 0.000 2.339 708 D HA 0.004 4.637 4.640 -0.011 0.000 0.256 708 D C 0.392 176.599 176.300 -0.155 0.000 1.214 708 D CA 0.142 54.182 54.000 0.066 0.000 0.877 708 D CB 0.770 41.778 40.800 0.346 0.000 1.111 708 D HN 0.573 nan 8.370 nan 0.000 0.478 709 D N 2.381 122.748 120.400 -0.055 0.000 2.271 709 D HA -0.111 4.523 4.640 -0.011 0.000 0.206 709 D C 1.054 177.227 176.300 -0.211 0.000 0.967 709 D CA 0.155 54.055 54.000 -0.166 0.000 0.867 709 D CB 0.227 40.825 40.800 -0.336 0.000 0.960 709 D HN 0.392 nan 8.370 nan 0.000 0.509 710 N N 0.254 118.959 118.700 0.009 0.000 2.220 710 N HA -0.037 4.696 4.740 -0.011 0.000 0.193 710 N C -0.103 175.264 175.510 -0.238 0.000 1.052 710 N CA 0.463 53.564 53.050 0.086 0.000 0.898 710 N CB 0.532 39.063 38.487 0.073 0.000 1.080 710 N HN -0.159 nan 8.380 nan 0.000 0.467 711 V N 2.113 121.909 119.914 -0.197 0.000 2.353 711 V HA 0.165 4.278 4.120 -0.011 0.000 0.264 711 V C -0.625 175.494 176.094 0.042 0.000 1.049 711 V CA -0.198 62.057 62.300 -0.076 0.000 0.896 711 V CB 0.005 31.813 31.823 -0.025 0.000 1.025 711 V HN 0.345 nan 8.190 nan 0.000 0.475 712 H N 3.003 122.038 119.070 -0.058 0.000 2.771 712 H HA 0.053 4.602 4.556 -0.011 0.000 0.364 712 H C 0.689 175.828 175.328 -0.316 0.000 1.133 712 H CA -0.144 55.787 56.048 -0.196 0.000 1.423 712 H CB 0.825 30.384 29.762 -0.338 0.000 1.425 712 H HN 0.625 nan 8.280 nan 0.000 0.606 713 F N 1.458 121.183 119.950 -0.375 0.000 2.216 713 F HA -0.250 4.270 4.527 -0.011 0.000 0.300 713 F C 2.575 178.071 175.800 -0.507 0.000 1.085 713 F CA 1.527 59.115 58.000 -0.686 0.000 1.326 713 F CB -0.188 38.623 39.000 -0.315 0.000 1.027 713 F HN 0.650 nan 8.300 nan 0.000 0.497 714 Q N 0.284 119.926 119.800 -0.263 0.000 2.142 714 Q HA -0.349 3.984 4.340 -0.011 0.000 0.213 714 Q C 2.107 177.863 176.000 -0.406 0.000 1.004 714 Q CA 2.647 58.250 55.803 -0.333 0.000 0.883 714 Q CB -0.393 28.122 28.738 -0.372 0.000 0.939 714 Q HN 0.592 nan 8.270 nan 0.000 0.413 715 Q N -0.514 119.084 119.800 -0.336 0.000 2.096 715 Q HA -0.126 4.207 4.340 -0.011 0.000 0.204 715 Q C 2.253 178.129 176.000 -0.206 0.000 0.982 715 Q CA 1.704 57.431 55.803 -0.127 0.000 0.850 715 Q CB -0.084 28.652 28.738 -0.004 0.000 0.901 715 Q HN 0.331 nan 8.270 nan 0.000 0.422 716 S N 0.646 116.091 115.700 -0.425 0.000 2.414 716 S HA 0.003 4.466 4.470 -0.011 0.000 0.227 716 S C 2.057 176.372 174.600 -0.475 0.000 1.022 716 S CA 0.672 58.627 58.200 -0.407 0.000 0.958 716 S CB -0.082 62.857 63.200 -0.435 0.000 0.797 716 S HN 0.468 nan 8.310 nan 0.000 0.493 717 A N 1.491 123.934 122.820 -0.628 0.000 1.940 717 A HA -0.154 4.159 4.320 -0.011 0.000 0.219 717 A C 2.127 179.582 177.584 -0.216 0.000 1.176 717 A CA 1.223 53.024 52.037 -0.394 0.000 0.631 717 A CB -0.416 18.410 19.000 -0.289 0.000 0.814 717 A HN 0.367 nan 8.150 nan 0.000 0.446 718 Q N -0.444 119.244 119.800 -0.188 0.000 2.187 718 Q HA 0.012 4.346 4.340 -0.011 0.000 0.199 718 Q C 2.147 178.076 176.000 -0.118 0.000 0.957 718 Q CA 0.974 56.723 55.803 -0.089 0.000 0.857 718 Q CB -0.343 28.421 28.738 0.044 0.000 0.929 718 Q HN 0.790 nan 8.270 nan 0.000 0.453 719 I N 1.233 121.702 120.570 -0.167 0.000 2.179 719 I HA -0.285 3.878 4.170 -0.011 0.000 0.242 719 I C 2.478 178.392 176.117 -0.338 0.000 1.088 719 I CA 1.567 62.722 61.300 -0.242 0.000 1.357 719 I CB -0.543 37.324 38.000 -0.223 0.000 1.051 719 I HN 0.172 nan 8.210 nan 0.000 0.409 720 S N 0.817 116.336 115.700 -0.302 0.000 2.368 720 S HA -0.239 4.224 4.470 -0.011 0.000 0.224 720 S C 2.014 176.554 174.600 -0.101 0.000 1.029 720 S CA 1.128 59.169 58.200 -0.265 0.000 0.988 720 S CB -0.467 62.739 63.200 0.010 0.000 0.838 720 S HN 0.350 nan 8.310 nan 0.000 0.462 721 K N 1.720 122.075 120.400 -0.075 0.000 2.063 721 K HA -0.054 4.259 4.320 -0.011 0.000 0.208 721 K C 2.295 178.866 176.600 -0.049 0.000 1.048 721 K CA 1.258 57.524 56.287 -0.035 0.000 0.928 721 K CB -0.588 31.890 32.500 -0.036 0.000 0.713 721 K HN 0.467 nan 8.250 nan 0.000 0.442 722 A N 0.814 123.574 122.820 -0.101 0.000 1.898 722 A HA -0.090 4.223 4.320 -0.011 0.000 0.216 722 A C 2.057 179.569 177.584 -0.119 0.000 1.181 722 A CA 1.159 53.134 52.037 -0.104 0.000 0.620 722 A CB -0.507 18.416 19.000 -0.129 0.000 0.819 722 A HN 0.281 nan 8.150 nan 0.000 0.442 723 L N -0.663 120.431 121.223 -0.215 0.000 2.093 723 L HA -0.131 4.203 4.340 -0.011 0.000 0.208 723 L C 2.500 179.395 176.870 0.042 0.000 1.085 723 L CA 0.805 55.540 54.840 -0.176 0.000 0.755 723 L CB -0.624 41.144 42.059 -0.486 0.000 0.904 723 L HN 0.219 nan 8.230 nan 0.000 0.435 724 V N 0.104 120.076 119.914 0.096 0.000 2.287 724 V HA -0.325 3.788 4.120 -0.011 0.000 0.248 724 V C 2.003 178.138 176.094 0.069 0.000 1.053 724 V CA 2.136 64.516 62.300 0.133 0.000 1.027 724 V CB -0.498 31.397 31.823 0.120 0.000 0.646 724 V HN 0.425 nan 8.190 nan 0.000 0.447 725 D N -0.068 120.352 120.400 0.033 0.000 2.263 725 D HA -0.107 4.527 4.640 -0.011 0.000 0.208 725 D C 1.596 177.913 176.300 0.028 0.000 0.971 725 D CA 1.501 55.515 54.000 0.023 0.000 0.867 725 D CB -0.065 40.739 40.800 0.008 0.000 0.929 725 D HN 0.550 nan 8.370 nan 0.000 0.492 726 V N -4.307 115.627 119.914 0.032 0.000 3.483 726 V HA 0.526 4.640 4.120 -0.011 0.000 0.301 726 V C 1.246 177.376 176.094 0.060 0.000 1.389 726 V CA 0.141 62.466 62.300 0.041 0.000 1.101 726 V CB -0.005 31.840 31.823 0.037 0.000 0.971 726 V HN 0.125 nan 8.190 nan 0.000 0.434 727 G N 0.488 109.332 108.800 0.072 0.000 2.182 727 G HA2 -0.187 3.767 3.960 -0.011 0.000 0.248 727 G HA3 -0.187 3.767 3.960 -0.011 0.000 0.248 727 G C -0.075 174.894 174.900 0.114 0.000 1.042 727 G CA 0.141 45.292 45.100 0.084 0.000 0.775 727 G HN 0.772 nan 8.290 nan 0.000 0.501 728 V N 0.674 120.679 119.914 0.151 0.000 2.383 728 V HA 0.442 4.555 4.120 -0.011 0.000 0.275 728 V C 0.412 176.692 176.094 0.310 0.000 1.036 728 V CA -0.498 61.927 62.300 0.208 0.000 0.889 728 V CB 1.660 33.599 31.823 0.193 0.000 0.985 728 V HN 0.410 nan 8.190 nan 0.000 0.459 729 D N 4.350 124.904 120.400 0.256 0.000 2.255 729 D HA 0.594 5.227 4.640 -0.011 0.000 0.249 729 D C -0.531 175.988 176.300 0.365 0.000 1.078 729 D CA 0.163 54.297 54.000 0.223 0.000 0.896 729 D CB 0.805 41.669 40.800 0.107 0.000 1.194 729 D HN 0.366 nan 8.370 nan 0.000 0.429 730 F N -0.211 119.818 119.950 0.132 0.000 2.779 730 F HA 0.488 5.008 4.527 -0.011 0.000 0.316 730 F C -1.564 174.285 175.800 0.082 0.000 1.164 730 F CA -1.094 57.003 58.000 0.162 0.000 0.924 730 F CB 0.963 40.083 39.000 0.199 0.000 1.348 730 F HN 0.060 nan 8.300 nan 0.000 0.467 731 Q N 1.463 121.307 119.800 0.075 0.000 2.312 731 Q HA 0.758 5.092 4.340 -0.011 0.000 0.263 731 Q C -0.956 175.027 176.000 -0.028 0.000 0.995 731 Q CA -0.916 54.839 55.803 -0.080 0.000 0.853 731 Q CB 2.295 31.034 28.738 0.003 0.000 1.300 731 Q HN 0.992 nan 8.270 nan 0.000 0.448 732 A N 2.242 125.014 122.820 -0.081 0.000 2.356 732 A HA 0.859 5.172 4.320 -0.011 0.000 0.323 732 A C -0.981 176.563 177.584 -0.066 0.000 1.119 732 A CA -0.577 51.471 52.037 0.019 0.000 0.790 732 A CB 1.601 20.679 19.000 0.129 0.000 1.273 732 A HN 0.637 nan 8.150 nan 0.000 0.452 733 M N 1.729 121.274 119.600 -0.091 0.000 2.277 733 M HA 0.567 5.040 4.480 -0.011 0.000 0.282 733 M C -1.804 174.401 176.300 -0.157 0.000 1.074 733 M CA -0.775 54.341 55.300 -0.306 0.000 0.954 733 M CB 1.249 33.557 32.600 -0.487 0.000 1.672 733 M HN 0.855 nan 8.290 nan 0.000 0.471 734 W N 4.681 125.826 121.300 -0.258 0.000 2.516 734 W HA 0.761 5.415 4.660 -0.011 0.000 0.343 734 W C -2.083 174.194 176.519 -0.404 0.000 1.094 734 W CA -0.786 56.489 57.345 -0.116 0.000 1.250 734 W CB 0.495 29.949 29.460 -0.010 0.000 1.308 734 W HN 0.613 nan 8.180 nan 0.000 0.588 735 Y N 2.706 123.131 120.300 0.209 0.000 2.555 735 Y HA 0.279 4.822 4.550 -0.011 0.000 0.326 735 Y C 0.465 176.460 175.900 0.158 0.000 0.984 735 Y CA -1.203 56.933 58.100 0.061 0.000 1.298 735 Y CB 1.067 39.540 38.460 0.021 0.000 1.094 735 Y HN 0.437 nan 8.280 nan 0.000 0.500 736 T N 4.510 119.238 114.554 0.290 0.000 2.800 736 T HA -0.048 4.295 4.350 -0.011 0.000 0.283 736 T C 0.179 174.951 174.700 0.119 0.000 0.999 736 T CA 0.844 63.072 62.100 0.213 0.000 1.176 736 T CB -0.180 68.762 68.868 0.124 0.000 0.973 736 T HN 0.696 nan 8.240 nan 0.000 0.519 737 D N 0.580 121.016 120.400 0.060 0.000 3.046 737 D HA -0.127 4.507 4.640 -0.011 0.000 0.210 737 D C 0.225 176.612 176.300 0.145 0.000 1.124 737 D CA 1.128 55.078 54.000 -0.083 0.000 0.986 737 D CB -0.508 40.015 40.800 -0.461 0.000 1.118 737 D HN 0.557 nan 8.370 nan 0.000 0.416 738 E N 1.099 121.412 120.200 0.189 0.000 2.331 738 E HA 0.308 4.651 4.350 -0.011 0.000 0.272 738 E C 0.824 177.574 176.600 0.250 0.000 1.036 738 E CA -0.221 56.308 56.400 0.215 0.000 0.864 738 E CB 1.027 30.842 29.700 0.191 0.000 1.035 738 E HN 0.385 nan 8.360 nan 0.000 0.408 739 D N 0.108 120.669 120.400 0.269 0.000 2.475 739 D HA -0.033 4.600 4.640 -0.011 0.000 0.286 739 D C 1.086 177.575 176.300 0.316 0.000 1.205 739 D CA -0.062 54.118 54.000 0.299 0.000 1.092 739 D CB -0.130 40.880 40.800 0.351 0.000 1.147 739 D HN 0.443 nan 8.370 nan 0.000 0.575 740 H N -1.691 117.523 119.070 0.240 0.000 2.457 740 H HA 0.143 4.692 4.556 -0.011 0.000 0.294 740 H C 1.921 177.452 175.328 0.339 0.000 1.064 740 H CA 1.985 58.188 56.048 0.258 0.000 1.330 740 H CB -0.399 29.506 29.762 0.238 0.000 1.395 740 H HN 0.468 nan 8.280 nan 0.000 0.541 741 G N 0.002 108.904 108.800 0.169 0.000 2.572 741 G HA2 -0.026 3.927 3.960 -0.011 0.000 0.216 741 G HA3 -0.026 3.927 3.960 -0.011 0.000 0.216 741 G C 0.624 175.652 174.900 0.213 0.000 1.133 741 G CA 0.305 45.438 45.100 0.055 0.000 0.791 741 G HN 0.527 nan 8.290 nan 0.000 0.538 742 I N 0.089 120.812 120.570 0.255 0.000 5.071 742 I HA -0.326 3.837 4.170 -0.011 0.000 0.126 742 I C 1.559 177.769 176.117 0.155 0.000 1.290 742 I CA 0.104 61.511 61.300 0.178 0.000 2.644 742 I CB -1.088 36.980 38.000 0.114 0.000 2.208 742 I HN 0.250 nan 8.210 nan 0.000 0.322 743 A N 1.122 124.015 122.820 0.121 0.000 2.288 743 A HA 0.257 4.570 4.320 -0.011 0.000 0.216 743 A C 1.160 178.781 177.584 0.061 0.000 1.199 743 A CA 0.209 52.294 52.037 0.079 0.000 0.891 743 A CB 0.255 19.277 19.000 0.037 0.000 0.923 743 A HN 0.463 nan 8.150 nan 0.000 0.500 744 S N 0.767 116.515 115.700 0.079 0.000 2.573 744 S HA 0.017 4.480 4.470 -0.011 0.000 0.297 744 S C 1.414 176.056 174.600 0.071 0.000 1.280 744 S CA 0.479 58.721 58.200 0.070 0.000 1.061 744 S CB 1.008 64.252 63.200 0.074 0.000 0.812 744 S HN 0.513 nan 8.310 nan 0.000 0.500 745 S N 2.692 118.422 115.700 0.050 0.000 2.381 745 S HA -0.209 4.254 4.470 -0.011 0.000 0.230 745 S C 2.284 176.936 174.600 0.086 0.000 1.052 745 S CA 2.163 60.395 58.200 0.053 0.000 1.068 745 S CB -0.672 62.543 63.200 0.024 0.000 0.918 745 S HN 0.978 nan 8.310 nan 0.000 0.448 746 T N -0.347 114.246 114.554 0.065 0.000 2.857 746 T HA 0.218 4.561 4.350 -0.011 0.000 0.266 746 T C 1.926 176.670 174.700 0.073 0.000 1.048 746 T CA 1.121 63.260 62.100 0.065 0.000 1.139 746 T CB -0.679 68.215 68.868 0.045 0.000 0.874 746 T HN 0.396 nan 8.240 nan 0.000 0.455 747 A N 1.634 124.473 122.820 0.032 0.000 1.873 747 A HA -0.065 4.248 4.320 -0.011 0.000 0.215 747 A C 2.179 179.700 177.584 -0.106 0.000 1.186 747 A CA 1.947 53.926 52.037 -0.097 0.000 0.616 747 A CB -1.327 17.570 19.000 -0.171 0.000 0.823 747 A HN 0.710 nan 8.150 nan 0.000 0.442 748 H N -0.030 119.004 119.070 -0.060 0.000 2.289 748 H HA -0.221 4.329 4.556 -0.011 0.000 0.294 748 H C 2.113 177.499 175.328 0.097 0.000 1.095 748 H CA 2.592 58.665 56.048 0.042 0.000 1.256 748 H CB -0.225 29.567 29.762 0.050 0.000 1.359 748 H HN 0.596 nan 8.280 nan 0.000 0.487 749 Q N -1.237 118.569 119.800 0.010 0.000 2.079 749 Q HA -0.169 4.165 4.340 -0.011 0.000 0.200 749 Q C 2.302 178.295 176.000 -0.012 0.000 0.974 749 Q CA 1.248 57.025 55.803 -0.044 0.000 0.840 749 Q CB -0.186 28.562 28.738 0.017 0.000 0.898 749 Q HN 0.648 nan 8.270 nan 0.000 0.430 750 H N 0.738 119.782 119.070 -0.044 0.000 2.357 750 H HA -0.074 4.475 4.556 -0.011 0.000 0.301 750 H C 2.040 177.380 175.328 0.020 0.000 1.082 750 H CA 1.233 57.292 56.048 0.018 0.000 1.342 750 H CB 0.037 29.855 29.762 0.094 0.000 1.389 750 H HN 0.270 nan 8.280 nan 0.000 0.511 751 I N 0.201 120.739 120.570 -0.053 0.000 2.179 751 I HA -0.332 3.831 4.170 -0.011 0.000 0.242 751 I C 1.803 177.693 176.117 -0.378 0.000 1.088 751 I CA 1.338 62.523 61.300 -0.193 0.000 1.357 751 I CB -0.323 37.375 38.000 -0.503 0.000 1.051 751 I HN 0.194 nan 8.210 nan 0.000 0.409 752 Y N 0.831 120.919 120.300 -0.353 0.000 2.274 752 Y HA -0.235 4.309 4.550 -0.011 0.000 0.290 752 Y C 2.708 178.405 175.900 -0.339 0.000 1.145 752 Y CA 1.849 59.635 58.100 -0.524 0.000 1.203 752 Y CB -0.668 37.485 38.460 -0.513 0.000 0.984 752 Y HN 0.171 nan 8.280 nan 0.000 0.533 753 T N -1.569 112.917 114.554 -0.114 0.000 2.674 753 T HA -0.250 4.094 4.350 -0.011 0.000 0.265 753 T C 1.518 176.154 174.700 -0.106 0.000 1.039 753 T CA 1.881 63.896 62.100 -0.142 0.000 1.150 753 T CB -0.513 68.278 68.868 -0.128 0.000 0.864 753 T HN 0.407 nan 8.240 nan 0.000 0.427 754 H N 0.724 119.679 119.070 -0.191 0.000 2.319 754 H HA 0.036 4.585 4.556 -0.011 0.000 0.299 754 H C 2.233 177.533 175.328 -0.046 0.000 1.092 754 H CA 1.738 57.727 56.048 -0.098 0.000 1.302 754 H CB -0.279 29.398 29.762 -0.142 0.000 1.373 754 H HN 0.249 nan 8.280 nan 0.000 0.497 755 M N -0.833 118.688 119.600 -0.133 0.000 2.117 755 M HA -0.190 4.283 4.480 -0.011 0.000 0.262 755 M C 2.439 178.817 176.300 0.130 0.000 1.065 755 M CA 1.680 56.883 55.300 -0.162 0.000 1.114 755 M CB 0.007 32.225 32.600 -0.637 0.000 1.361 755 M HN 0.234 nan 8.290 nan 0.000 0.408 756 S N -0.608 115.200 115.700 0.179 0.000 2.359 756 S HA -0.203 4.260 4.470 -0.011 0.000 0.224 756 S C 1.577 176.251 174.600 0.123 0.000 1.035 756 S CA 1.496 59.891 58.200 0.326 0.000 1.018 756 S CB -0.759 62.602 63.200 0.269 0.000 0.876 756 S HN 0.563 nan 8.310 nan 0.000 0.448 757 H N -0.600 118.516 119.070 0.078 0.000 2.421 757 H HA -0.046 4.504 4.556 -0.011 0.000 0.298 757 H C 1.858 177.185 175.328 -0.001 0.000 1.087 757 H CA 1.559 57.611 56.048 0.007 0.000 1.330 757 H CB -0.168 29.549 29.762 -0.075 0.000 1.388 757 H HN 0.401 nan 8.280 nan 0.000 0.526 758 F N 0.837 120.763 119.950 -0.041 0.000 2.084 758 F HA -0.183 4.337 4.527 -0.011 0.000 0.296 758 F C 1.976 177.730 175.800 -0.077 0.000 1.111 758 F CA 0.897 58.850 58.000 -0.079 0.000 1.224 758 F CB -0.216 38.715 39.000 -0.115 0.000 0.991 758 F HN -0.003 nan 8.300 nan 0.000 0.471 759 I N 1.127 121.703 120.570 0.009 0.000 2.118 759 I HA -0.331 3.832 4.170 -0.011 0.000 0.241 759 I C 2.268 178.202 176.117 -0.306 0.000 1.070 759 I CA 1.672 62.811 61.300 -0.267 0.000 1.327 759 I CB -1.513 36.436 38.000 -0.086 0.000 1.034 759 I HN 0.233 nan 8.210 nan 0.000 0.405 760 K N 0.186 120.544 120.400 -0.069 0.000 2.063 760 K HA -0.240 4.073 4.320 -0.011 0.000 0.208 760 K C 2.093 178.686 176.600 -0.013 0.000 1.048 760 K CA 1.430 57.725 56.287 0.013 0.000 0.928 760 K CB -0.302 32.249 32.500 0.085 0.000 0.713 760 K HN 0.403 nan 8.250 nan 0.000 0.442 761 Q N 1.061 120.816 119.800 -0.075 0.000 2.167 761 Q HA -0.181 4.152 4.340 -0.011 0.000 0.202 761 Q C 2.182 178.082 176.000 -0.167 0.000 0.970 761 Q CA 1.544 57.286 55.803 -0.100 0.000 0.855 761 Q CB -0.298 28.376 28.738 -0.107 0.000 0.911 761 Q HN 0.427 nan 8.270 nan 0.000 0.438 762 c N 0.037 118.431 118.600 -0.343 0.000 2.475 762 c HA 0.019 4.582 4.570 -0.011 0.000 0.279 762 c C 1.938 176.045 174.090 0.027 0.000 1.322 762 c CA 0.087 56.219 56.329 -0.328 0.000 1.734 762 c CB -1.109 40.999 42.510 -0.671 0.000 2.005 762 c HN 0.517 nan 8.230 nan 0.000 0.495 763 F N 1.692 121.599 119.950 -0.072 0.000 2.732 763 F HA 0.267 4.787 4.527 -0.011 0.000 0.303 763 F C 1.668 177.456 175.800 -0.020 0.000 1.110 763 F CA 0.258 58.242 58.000 -0.027 0.000 1.355 763 F CB -1.259 37.735 39.000 -0.009 0.000 1.081 763 F HN 0.200 nan 8.300 nan 0.000 0.565 764 S N 0.665 116.450 115.700 0.141 0.000 3.587 764 S HA -0.218 4.246 4.470 -0.011 0.000 0.337 764 S C 0.115 174.763 174.600 0.081 0.000 1.119 764 S CA 0.135 58.383 58.200 0.080 0.000 0.976 764 S CB -2.071 61.165 63.200 0.061 0.000 0.922 764 S HN 0.252 nan 8.310 nan 0.000 0.503 765 L N 1.844 123.128 121.223 0.102 0.000 2.260 765 L HA 0.457 4.790 4.340 -0.011 0.000 0.289 765 L C -1.526 175.389 176.870 0.075 0.000 1.057 765 L CA -1.493 53.400 54.840 0.089 0.000 0.811 765 L CB 0.417 42.541 42.059 0.108 0.000 1.184 765 L HN 0.041 nan 8.230 nan 0.000 0.429 766 P HA 0.000 nan 4.420 nan 0.000 0.216 766 P CA 0.000 63.137 63.100 0.062 0.000 0.800 766 P CB 0.000 31.727 31.700 0.045 0.000 0.726